A0A087Y558_POEFO Loading...

ArfGAP with SH3 domain, ankyrin repeat and PH domain 1

AlphaFold DB , UniProt , Accession A0A087Y558, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,098 aa.

						>A0A087Y558_POEFO|A0A087Y558
MPDQISVSEFLSETTEDYNSPTTSSFTTRMQSCRNTVNVLEEALDQDRTSLQKVKKSVKSIYNSGQDHVQNEENYAQALDKFGSNFISRDNPDLGTAFVKFSSLTKELSALLKNLLQSLSHNVIFTLDSLLKGDLKGVKGDLKKPFDKAWKDYEAKFTKIEKEKREHAKQHGMIRTEITGAEIAEEMEKERRLFQLQMCEYLIKVNEIKTKKGVDLLQNLIKYYHAQCNFFQDGLKTADKLKQYIEKLAADLYNIKQTQDEEKKQLTALRDLIKSSLQLDQKEDSQSKQGGYSMHQLQGNKEFGSEKKGYLLKKSDGLRKVWQRRQCSVKGGILTISHATSNRQPVKLNLLTCQVKPSSEDRKCFDLISHNRTYHFQAEDEQEFVIWISVLTNSKEEALNMAFRGEQSSGGEDGLEDLTKAIIEDVLRMPGNEICCDCGAAEPKWLSTNLGILTCIECSGIHREMGVHISRIQSMELDKLGTSELLLAKNVGNSSFNEIMEANLSSPSPKPSPSSDMTVRKEFINAKYVDHKYARKTCTSAAAKMIELFEAIQTRDLLALIQVYAEGVELMEPLPEAGPEVGETALHYAVRTADQTSLHLVDFLVQNSGNLDKQTEWGNTALHYCCIYEKPECLKLLLRGKPATDIANQNGETALDVARQLRNTQCEEALVQAAEGKFNPHIHVEYEWSLRLEEMDESDDDLDDKPSPIKKDRSPRPQSFCHSSSLSPHDKLSLPGFISQRDKQQRLSYSAFTNQMYSASTDLSSSPVADGPPLPPRNQGKAPHLAFLGSHSHYATLAGTRPYIRSDSTPPPVSKMSPVSNKFEGIPQQQSTTSSNTKSTLGPRVLPKLPQKVALRKIDTIHHPSVDKPSLPPEVFQKSPPPTETAHKAPLADRPQLGDLPPKPQVSELPPKPGELPPKPQLSDLPPKPQLGDLPPKPQLKDLPPKPHLADLHPKPGTSESAPRPPAGDSTTQRPQTQPPPPPQTQPQQQDSPSPNQQVANIATPSQQTAEDTNGTPPGTAETPVPLPRKINTGKNKTRRVKTIYDCQADNDDELTFVEGEVIIVTGEEDQEWWIGHIEGDPDRKGVFPMSFVHILSD
					

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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	46.4	Very low	85	Confident	210 Å²	210	78.1 Å²	78.1	100%	1.034	43%	0.434	S	S	*	.				0	141.9	0	-62.7	-64.5	-93.9	0	0	107.7
2	P	57.9	Low	85.8	Confident	69 Å²	69	77.9 Å²	77.9	45%	0.448	44%	0.442	S	S	.	.			trans	-62.4	142	161.1	29.8	-33.3	0	0	0	108.7	Q4 N35	P2-Q4 PolarHBondContact O-N 3.48Å; P2-Q4 PolarHBondContact O-NE2 2.75Å; P2-N35 HydrophobicContact CB-CB 4.39Å
3	D	82.8	Confident	86.4	Confident	88 Å²	88	73.5 Å²	73.5	47%	0.471	42%	0.415	S	S	.	.			trans	-62.1	133.9	176.7	-169.5	47.4	0	0	0	109.7	S32 N35	D3-S32 WeakPolarHBondContact O-CA 3.42Å; D3-S32 VanDerWaalsContact OD2-CB 3.28Å; D3-S32 WeakPolarHBondContact OD2-CB 3.31Å; D3-S32 PolarHBondContact OD2-OG 3.06Å; D3-N35 WeakPolarHBondContact O-CB 3.07Å; D3-N35 PolarHBondContact O-ND2 3.31Å
4	Q	89.8	Confident	87	Confident	69 Å²	69	69.6 Å²	69.6	32%	0.322	39%	0.394	S	S	.	.			trans	-138.2	142.4	-172.1	-83.9	170.3	82.3	0	0	108.7	P2 N35	P2-Q4 PolarHBondContact O-N 3.48Å; P2-Q4 PolarHBondContact O-NE2 2.75Å; Q4-N35 HydrophobicContact CG-CB 4.37Å
5	I	93.3	Very high	87.5	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	40%	0.398	C	S	.	.			trans	-103.4	133.4	176.4	-160.9	166.5	0	0	0	110.2	E9 F10 R29 C33 T36 M198	I5-E9 HydrophobicContact CD1-CB 4.17Å; I5-E9 HydrophobicContact CG1-CB 3.55Å; I5-F10 HydrophobicContact CD1-CB 3.94Å; I5-F10 HydrophobicContact CG1-CB 4.08Å; I5-F10 HydrophobicContact CG2-CB 4.28Å; I5-R29 HydrophobicContact CD1-CB 4.19Å; I5-C33 HydrophobicContact CG2-CB 4.35Å; I5-T36 PolarHBondContact N-OG1 2.97Å; I5-T36 PolarHBondContact O-OG1 3.28Å; I5-T36 VanDerWaalsContact O-OG1 3.05Å; I5-M198 HydrophobicContact CG2-CE 4.43Å
6	S	93.4	Very high	87.8	Confident	55 Å²	55	71.3 Å²	71.3	39%	0.385	40%	0.4	S	S	.	.			trans	-77	164.8	169.2	72.7	0	0	0	0	111.3	S8 E9 F10	S6-S8 PolarHBondContact O-N 2.75Å; S6-E9 WeakPolarHBondContact CB-OE2 3.46Å; S6-E9 PolarHBondContact N-OE2 2.95Å; S6-E9 PolarHBondContact O-N 2.61Å; S6-E9 WeakPolarHBondContact OG-CG 3.36Å; S6-E9 PolarHBondContact OG-N 3.33Å; S6-E9 PolarHBondContact OG-OE2 3.35Å; S6-F10 WeakPolarHBondContact O-CB 3.42Å; S6-F10 PolarHBondContact O-N 3.48Å
7	V	93.6	Very high	88.1	Confident	83 Å²	83	67.2 Å²	67.2	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-35.5	175.7	-176.9	0	0	0	0	111.5	L11 L202	V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 WeakPolarHBondContact O-CG 3.37Å; V7-L11 PolarHBondContact O-N 2.99Å; V7-L202 HydrophobicContact CG2-CD1 4.46Å; V7-L202 HydrophobicContact CG2-CD2 4.31Å
8	S	93.8	Very high	88.3	Confident	93 Å²	93	72.3 Å²	72.3	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-71.3	-40.8	-179.8	-163.5	0	0	0	0	112.5	S6 S12	S6-S8 PolarHBondContact O-N 2.75Å; S8-S12 PolarHBondContact O-N 2.73Å
9	E	93.6	Very high	88.5	Confident	83 Å²	83	74.4 Å²	74.4	39%	0.388	40%	0.401	S	S	.	.	H	α-helix	trans	-68.7	-42.4	176	-68.7	158	124	0	0	110.7	I5 S6 L11 S12 E13	I5-E9 HydrophobicContact CD1-CB 4.17Å; I5-E9 HydrophobicContact CG1-CB 3.55Å; S6-E9 WeakPolarHBondContact CB-OE2 3.46Å; S6-E9 PolarHBondContact N-OE2 2.95Å; S6-E9 PolarHBondContact O-N 2.61Å; S6-E9 WeakPolarHBondContact OG-CG 3.36Å; S6-E9 PolarHBondContact OG-N 3.33Å; S6-E9 PolarHBondContact OG-OE2 3.35Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 2.71Å; E9-S12 PolarHBondContact O-N 2.85Å; E9-S12 VanDerWaalsContact O-N 3.15Å; E9-E13 WeakPolarHBondContact O-CG 3.31Å; E9-E13 PolarHBondContact O-N 3.3Å
10	F	95.5	Very high	88.6	Confident	3 Å²	3	73.3 Å²	73.3	1%	0.013	40%	0.4	C	S	.	.	H	α-helix	trans	-60.7	-42.8	176.1	171.4	-102.9	0	0	0	111.9	I5 S6 S12 T14 F26 M198 L202	I5-F10 HydrophobicContact CD1-CB 3.94Å; I5-F10 HydrophobicContact CG1-CB 4.08Å; I5-F10 HydrophobicContact CG2-CB 4.28Å; S6-F10 WeakPolarHBondContact O-CB 3.42Å; S6-F10 PolarHBondContact O-N 3.48Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.42Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.45Å; F10-T14 WeakPolarHBondContact O-CB 3.48Å; F10-T14 PolarHBondContact O-N 2.95Å; F10-T14 PolarHBondContact O-OG1 3.42Å; F10-F26 HydrophobicContact CD2-CE2 4.24Å; F10-F26 HydrophobicContact CE2-CE2 4.01Å; F10-F26 HydrophobicContact CE2-CZ 4.31Å; F10-M198 HydrophobicContact CD2-CG 3.95Å; F10-M198 HydrophobicContact CE1-CB 4.46Å; F10-M198 HydrophobicContact CE1-CG 4.05Å; F10-M198 HydrophobicContact CE2-CB 3.84Å; F10-M198 HydrophobicContact CE2-CG 3.41Å; F10-M198 VanDerWaalsContact CE2-CG 3.41Å; F10-M198 HydrophobicContact CG-CG 4.48Å; F10-M198 HydrophobicContact CZ-CB 3.64Å; F10-M198 HydrophobicContact CZ-CG 3.47Å; F10-M198 VanDerWaalsContact CZ-CG 3.47Å; F10-L202 HydrophobicContact CD1-CD1 3.49Å; F10-L202 VanDerWaalsContact CD1-CD1 3.49Å; F10-L202 HydrophobicContact CE1-CD1 3.88Å; F10-L202 HydrophobicContact CG-CD1 4.09Å
11	L	95.5	Very high	88.3	Confident	97 Å²	97	71.5 Å²	71.5	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-41.5	173.9	-75	169.4	0	0	0	111.8	V7 E9 T15	V7-L11 HydrophobicContact CG1-CD1 4.04Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 WeakPolarHBondContact O-CG 3.37Å; V7-L11 PolarHBondContact O-N 2.99Å; E9-L11 VanDerWaalsContact C-N 3.35Å; E9-L11 PolarHBondContact O-N 2.71Å; L11-T15 VanDerWaalsContact O-CB 3.25Å; L11-T15 WeakPolarHBondContact O-CB 3.5Å; L11-T15 PolarHBondContact O-N 3.21Å; L11-T15 PolarHBondContact O-OG1 3.18Å
12	S	94	Very high	90.1	Very high	76 Å²	76	65.5 Å²	65.5	53%	0.531	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-56.9	178.2	-164.3	0	0	0	0	111.9	S8 E9 F10 T14 T15 E16	S8-S12 PolarHBondContact O-N 2.73Å; E9-S12 PolarHBondContact O-N 2.85Å; E9-S12 VanDerWaalsContact O-N 3.15Å; F10-S12 VanDerWaalsContact C-N 3.35Å; S12-T14 VanDerWaalsContact C-N 3.31Å; S12-T14 PolarHBondContact O-N 2.77Å; S12-T15 PolarHBondContact O-N 3.5Å; S12-T15 VanDerWaalsContact O-N 3.12Å; S12-E16 PolarHBondContact O-N 3.09Å
13	E	93.8	Very high	91.4	Very high	20 Å²	20	67.4 Å²	67.4	9%	0.093	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-33.2	-176.2	-61.2	-114.2	-159.2	0	0	111.7	E9 D17 S25 F26 R29	E9-E13 WeakPolarHBondContact O-CG 3.31Å; E9-E13 PolarHBondContact O-N 3.3Å; E13-D17 WeakPolarHBondContact O-CB 3.42Å; E13-D17 PolarHBondContact O-N 3.02Å; E13-S25 PolarHBondContact OE2-OG 3.33Å; E13-F26 HydrophobicContact CB-CD2 4.08Å; E13-R29 HydrophobicContact CG-CG 4.37Å; E13-R29 IonicContact OE1-CZ 3.82Å; E13-R29 IonicContact OE1-NE 2.86Å; E13-R29 PolarHBondContact OE1-NE 2.85Å; E13-R29 IonicContact OE1-NH2 3.13Å; E13-R29 PolarHBondContact OE1-NH2 2.82Å
14	T	94.6	Very high	91.5	Very high	19 Å²	19	64 Å²	64	12%	0.117	36%	0.361	C	S	.	.	H	α-helix	trans	-70.8	-37.3	173.3	-56.5	0	0	0	0	112	F10 S12 E16 D17 Y18 F26 Q195	F10-T14 WeakPolarHBondContact CE2-OG1 3.42Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.45Å; F10-T14 WeakPolarHBondContact O-CB 3.48Å; F10-T14 PolarHBondContact O-N 2.95Å; F10-T14 PolarHBondContact O-OG1 3.42Å; S12-T14 VanDerWaalsContact C-N 3.31Å; S12-T14 PolarHBondContact O-N 2.77Å; T14-E16 VanDerWaalsContact C-N 3.34Å; T14-D17 PolarHBondContact O-N 2.8Å; T14-Y18 WeakPolarHBondContact O-CB 3.33Å; T14-Y18 PolarHBondContact O-N 2.81Å; T14-F26 WeakPolarHBondContact OG1-CE2 3.13Å; T14-Q195 HydrophobicContact CG2-CB 4.06Å; T14-Q195 HydrophobicContact CG2-CG 3.86Å
15	T	94.3	Very high	91.3	Very high	75 Å²	75	62.9 Å²	62.9	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-68.9	-35.9	175.9	-58.7	0	0	0	0	111.1	L11 S12 Y18 N19	L11-T15 VanDerWaalsContact O-CB 3.25Å; L11-T15 WeakPolarHBondContact O-CB 3.5Å; L11-T15 PolarHBondContact O-N 3.21Å; L11-T15 PolarHBondContact O-OG1 3.18Å; S12-T15 PolarHBondContact O-N 3.5Å; S12-T15 VanDerWaalsContact O-N 3.12Å; T15-Y18 PolarHBondContact O-N 2.96Å; T15-N19 WeakPolarHBondContact O-CB 3.41Å; T15-N19 PolarHBondContact O-N 2.66Å; T15-N19 PolarHBondContact O-ND2 2.87Å; T15-N19 VanDerWaalsContact O-ND2 3.08Å
16	E	93.3	Very high	91.1	Very high	91 Å²	91	62.4 Å²	62.4	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-45.1	173.2	-167.9	175.9	153.8	0	0	111.8	S12 T14 Y18 N19 S20	S12-E16 PolarHBondContact O-N 3.09Å; T14-E16 VanDerWaalsContact C-N 3.34Å; E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 2.75Å; E16-N19 PolarHBondContact O-N 3.14Å; E16-S20 PolarHBondContact O-N 2.82Å
17	D	92.1	Very high	90.7	Very high	2 Å²	2	63.3 Å²	63.3	1%	0.011	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-27.8	173	-172.9	89	0	0	0	113.8	E13 T14 P21 S24 F26 R191 R192 Q195	E13-D17 WeakPolarHBondContact O-CB 3.42Å; E13-D17 PolarHBondContact O-N 3.02Å; T14-D17 PolarHBondContact O-N 2.8Å; D17-P21 WeakPolarHBondContact O-CA 3.27Å; D17-P21 WeakPolarHBondContact O-CB 3.13Å; D17-P21 WeakPolarHBondContact O-CD 3.29Å; D17-S24 WeakPolarHBondContact CA-OG 3.21Å; D17-S24 WeakPolarHBondContact CB-OG 3.24Å; D17-S24 PolarHBondContact N-OG 3.04Å; D17-F26 HydrophobicContact CB-CB 3.78Å; D17-F26 HydrophobicContact CB-CG 4.15Å; D17-R191 VanDerWaalsContact OD1-CD 3.28Å; D17-R191 WeakPolarHBondContact OD1-CD 3.37Å; D17-R191 IonicContact OD1-CZ 2.68Å; D17-R191 IonicContact OD1-NE 2.68Å; D17-R191 PolarHBondContact OD1-NE 2.93Å; D17-R191 WeakPolarHBondContact OD2-CD 3.46Å; D17-R191 IonicContact OD2-CZ 3.11Å; D17-R191 IonicContact OD2-NE 2.75Å; D17-R191 PolarHBondContact OD2-NE 3.49Å; D17-R192 PolarHBondContact O-NH1 2.88Å; D17-R192 PolarHBondContact O-NH2 2.86Å; D17-R192 IonicContact OD2-CZ 3.78Å; D17-R192 IonicContact OD2-NH1 2.74Å; D17-R192 PolarHBondContact OD2-NH1 2.89Å; D17-R192 IonicContact OD2-NH2 2.95Å; D17-Q195 VanDerWaalsContact CG-NE2 3.31Å; D17-Q195 PolarHBondContact OD2-NE2 3.41Å
18	Y	91.4	Very high	90.4	Very high	160 Å²	160	64 Å²	64	63%	0.627	37%	0.366	S	S	*	.	H	α-helix	trans	-69.5	-45.2	173.6	-169.6	-92.5	0	0	0	111.5	T14 T15 E16	T14-Y18 WeakPolarHBondContact O-CB 3.33Å; T14-Y18 PolarHBondContact O-N 2.81Å; T15-Y18 PolarHBondContact O-N 2.96Å; E16-Y18 VanDerWaalsContact C-N 3.29Å; E16-Y18 PolarHBondContact O-N 2.75Å
19	N	92.2	Very high	90.3	Very high	111 Å²	111	63 Å²	63	59%	0.594	35%	0.348	S	S	*	.	H	α-helix	trans	-82.8	-27.7	-177.1	-66.4	-36.2	0	0	0	113.8	T15 E16	T15-N19 WeakPolarHBondContact O-CB 3.41Å; T15-N19 PolarHBondContact O-N 2.66Å; T15-N19 PolarHBondContact O-ND2 2.87Å; T15-N19 VanDerWaalsContact O-ND2 3.08Å; E16-N19 PolarHBondContact O-N 3.14Å
20	S	90.1	Very high	90.1	Very high	53 Å²	53	59.3 Å²	59.3	37%	0.371	33%	0.331	S	S	.	.			trans	-147.8	63.9	-172.8	-62.1	0	0	0	0	112.3	E16 T22 T23 S24	E16-S20 PolarHBondContact O-N 2.82Å; S20-T22 PolarHBondContact O-N 3.43Å; S20-T22 VanDerWaalsContact O-N 3.11Å; S20-T23 WeakPolarHBondContact CB-OG1 3.29Å; S20-T23 PolarHBondContact O-N 3.18Å; S20-T23 VanDerWaalsContact O-N 3.14Å; S20-T23 PolarHBondContact O-OG1 3.11Å; S20-S24 PolarHBondContact O-N 2.93Å; S20-S24 VanDerWaalsContact O-N 3.09Å
21	P	84	Confident	89.9	Confident	36 Å²	36	63 Å²	63	23%	0.234	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20	-171.7	22.2	-33.5	0	0	0	115.6	D17 A184 R191	D17-P21 WeakPolarHBondContact O-CA 3.27Å; D17-P21 WeakPolarHBondContact O-CB 3.13Å; D17-P21 WeakPolarHBondContact O-CD 3.29Å; P21-A184 WeakPolarHBondContact O-CB 3.43Å; P21-R191 VanDerWaalsContact CB-NH2 3.3Å
22	T	83.8	Confident	89.8	Confident	84 Å²	84	58.6 Å²	58.6	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-9.7	180	50.1	0	0	0	0	113.8	S20 A181 A184	S20-T22 PolarHBondContact O-N 3.43Å; S20-T22 VanDerWaalsContact O-N 3.11Å; T22-A181 HydrophobicContact CG2-CB 3.92Å; T22-A184 HydrophobicContact CG2-CB 4.45Å
23	T	84.1	Confident	89.9	Confident	108 Å²	108	55 Å²	55	66%	0.663	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-10.2	178.5	59.3	0	0	0	0	113.9	S20	S20-T23 WeakPolarHBondContact CB-OG1 3.29Å; S20-T23 PolarHBondContact O-N 3.18Å; S20-T23 VanDerWaalsContact O-N 3.14Å; S20-T23 PolarHBondContact O-OG1 3.11Å
24	S	86	Confident	89.8	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.119	31%	0.308	C	S	.	.			trans	-67.7	146.9	-176.6	179.4	0	0	0	0	114	D17 S20 F26	D17-S24 WeakPolarHBondContact CA-OG 3.21Å; D17-S24 WeakPolarHBondContact CB-OG 3.24Å; D17-S24 PolarHBondContact N-OG 3.04Å; S20-S24 PolarHBondContact O-N 2.93Å; S20-S24 VanDerWaalsContact O-N 3.09Å; S24-F26 PolarHBondContact OG-N 3.02Å
25	S	85.2	Confident	89.8	Confident	45 Å²	45	57.9 Å²	57.9	32%	0.315	31%	0.31	S	S	.	.			trans	-78.9	-13.2	176.3	127.2	0	0	0	0	114.1	E13 T27 T28	E13-S25 PolarHBondContact OE2-OG 3.33Å; S25-T27 PolarHBondContact O-N 2.93Å; S25-T28 WeakPolarHBondContact O-CB 3.4Å; S25-T28 WeakPolarHBondContact O-CG2 3.21Å; S25-T28 PolarHBondContact O-N 3.16Å; S25-T28 PolarHBondContact O-OG1 3.21Å
26	F	89.1	Confident	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-49.5	-35.2	-164.6	178.1	-91.6	0	0	0	115.4	F10 E13 T14 D17 S24 T28 R29 M30 R191 F194 Q195	F10-F26 HydrophobicContact CD2-CE2 4.24Å; F10-F26 HydrophobicContact CE2-CE2 4.01Å; F10-F26 HydrophobicContact CE2-CZ 4.31Å; E13-F26 HydrophobicContact CB-CD2 4.08Å; T14-F26 WeakPolarHBondContact OG1-CE2 3.13Å; D17-F26 HydrophobicContact CB-CB 3.78Å; D17-F26 HydrophobicContact CB-CG 4.15Å; S24-F26 PolarHBondContact OG-N 3.02Å; F26-T28 PolarHBondContact O-N 2.77Å; F26-R29 WeakPolarHBondContact O-CB 3.27Å; F26-R29 PolarHBondContact O-N 2.85Å; F26-M30 HydrophobicContact CD1-CG 3.96Å; F26-M30 HydrophobicContact CD1-SD 4.21Å; F26-M30 HydrophobicContact CE1-CG 3.6Å; F26-M30 HydrophobicContact CE1-SD 3.9Å; F26-M30 HydrophobicContact CZ-CG 4.28Å; F26-M30 PolarHBondContact O-N 2.86Å; F26-R191 HydrophobicContact CD1-CG 4.33Å; F26-R191 HydrophobicContact CE1-CG 4.32Å; F26-F194 HydrophobicContact CE1-CD1 4.08Å; F26-F194 HydrophobicContact CE1-CE1 4.34Å; F26-F194 HydrophobicContact CZ-CD1 4.04Å; F26-F194 HydrophobicContact CZ-CE1 4.06Å; F26-Q195 HydrophobicContact CE1-CG 3.74Å; F26-Q195 HydrophobicContact CE2-CG 4.08Å; F26-Q195 HydrophobicContact CZ-CG 3.43Å; F26-Q195 VanDerWaalsContact CZ-CG 3.43Å
27	T	85.7	Confident	89.8	Confident	73 Å²	73	50.6 Å²	50.6	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-57.9	-32.7	177.9	55	0	0	0	0	112.9	S25 R29	S25-T27 PolarHBondContact O-N 2.93Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 2.97Å
28	T	87.3	Confident	89.8	Confident	98 Å²	98	53 Å²	53	60%	0.601	28%	0.284	S	S	*	.	H	α-helix	trans	-68.4	-28.4	175.2	69.7	0	0	0	0	112.7	S25 F26	S25-T28 WeakPolarHBondContact O-CB 3.4Å; S25-T28 WeakPolarHBondContact O-CG2 3.21Å; S25-T28 PolarHBondContact O-N 3.16Å; S25-T28 PolarHBondContact O-OG1 3.21Å; F26-T28 PolarHBondContact O-N 2.77Å
29	R	90.6	Very high	89.8	Confident	73 Å²	73	47.9 Å²	47.9	28%	0.275	27%	0.269	S	S	.	.	H	α-helix	trans	-87.6	-10.5	-178.1	-56.7	-52.9	-156.5	143.9	18.3	114.4	I5 E13 F26 T27 Q31 S32 C33	I5-R29 HydrophobicContact CD1-CB 4.19Å; E13-R29 HydrophobicContact CG-CG 4.37Å; E13-R29 IonicContact OE1-CZ 3.82Å; E13-R29 IonicContact OE1-NE 2.86Å; E13-R29 PolarHBondContact OE1-NE 2.85Å; E13-R29 IonicContact OE1-NH2 3.13Å; E13-R29 PolarHBondContact OE1-NH2 2.82Å; F26-R29 WeakPolarHBondContact O-CB 3.27Å; F26-R29 PolarHBondContact O-N 2.85Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 2.97Å; R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 3.37Å; R29-S32 WeakPolarHBondContact O-CA 3.23Å; R29-S32 VanDerWaalsContact O-CB 3.24Å; R29-S32 WeakPolarHBondContact O-CB 3.25Å; R29-S32 PolarHBondContact O-N 3.4Å; R29-S32 PolarHBondContact O-OG 2.93Å; R29-C33 PolarHBondContact O-N 2.7Å; R29-C33 PolarHBondContact O-SG 2.91Å
30	M	90.5	Very high	89.8	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-38.3	-173.9	-71.2	-173.9	54	0	0	112.5	F26 S32 C33 R34 W150 Y153 F194	F26-M30 HydrophobicContact CD1-CG 3.96Å; F26-M30 HydrophobicContact CD1-SD 4.21Å; F26-M30 HydrophobicContact CE1-CG 3.6Å; F26-M30 HydrophobicContact CE1-SD 3.9Å; F26-M30 HydrophobicContact CZ-CG 4.28Å; F26-M30 PolarHBondContact O-N 2.86Å; M30-S32 VanDerWaalsContact C-N 3.3Å; M30-S32 PolarHBondContact O-N 2.63Å; M30-C33 WeakPolarHBondContact O-CB 3.25Å; M30-C33 PolarHBondContact O-N 2.89Å; M30-R34 PolarHBondContact O-N 2.78Å; M30-R34 VanDerWaalsContact O-N 3.13Å; M30-W150 HydrophobicContact CB-CZ3 3.96Å; M30-W150 WeakPolarHBondContact O-CZ3 3.33Å; M30-Y153 HydrophobicContact CE-CD1 3.51Å; M30-Y153 HydrophobicContact CE-CD2 3.67Å; M30-Y153 HydrophobicContact CE-CE1 3.53Å; M30-Y153 HydrophobicContact CE-CE2 3.66Å; M30-Y153 HydrophobicContact CE-CG 3.61Å; M30-Y153 HydrophobicContact SD-CD1 4.41Å; M30-Y153 HydrophobicContact SD-CD2 4.34Å; M30-Y153 HydrophobicContact SD-CE1 3.82Å; M30-Y153 HydrophobicContact SD-CE2 3.72Å; M30-F194 HydrophobicContact CB-CE1 4.21Å; M30-F194 HydrophobicContact CE-CB 4.36Å; M30-F194 HydrophobicContact CE-CD1 3.55Å; M30-F194 HydrophobicContact CE-CD2 4.26Å; M30-F194 HydrophobicContact CE-CE1 3.82Å; M30-F194 HydrophobicContact CE-CE2 4.5Å; M30-F194 HydrophobicContact CE-CG 3.77Å; M30-F194 HydrophobicContact CE-CZ 4.28Å; M30-F194 HydrophobicContact CG-CD1 4.3Å; M30-F194 HydrophobicContact CG-CE1 3.93Å; M30-F194 HydrophobicContact SD-CD1 4.35Å
31	Q	90.9	Very high	89.9	Confident	80 Å²	80	44.1 Å²	44.1	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-65.6	-34.4	174.3	-176.8	57.7	47.9	0	0	112	R29 R34 N35 W150	R29-Q31 VanDerWaalsContact C-N 3.29Å; R29-Q31 PolarHBondContact O-N 3.37Å; Q31-R34 WeakPolarHBondContact O-CB 3.46Å; Q31-R34 PolarHBondContact O-N 3.19Å; Q31-N35 PolarHBondContact NE2-OD1 3.03Å; Q31-N35 PolarHBondContact O-N 2.56Å; Q31-N35 PolarHBondContact O-ND2 2.92Å; Q31-N35 PolarHBondContact O-OD1 2.88Å; Q31-W150 HydrophobicContact CB-CH2 4.45Å
32	S	93.6	Very high	90.2	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-38	175.4	-34.2	0	0	0	0	111.5	D3 R29 M30 N35 T36	D3-S32 WeakPolarHBondContact O-CA 3.42Å; D3-S32 VanDerWaalsContact OD2-CB 3.28Å; D3-S32 WeakPolarHBondContact OD2-CB 3.31Å; D3-S32 PolarHBondContact OD2-OG 3.06Å; R29-S32 WeakPolarHBondContact O-CA 3.23Å; R29-S32 VanDerWaalsContact O-CB 3.24Å; R29-S32 WeakPolarHBondContact O-CB 3.25Å; R29-S32 PolarHBondContact O-N 3.4Å; R29-S32 PolarHBondContact O-OG 2.93Å; M30-S32 VanDerWaalsContact C-N 3.3Å; M30-S32 PolarHBondContact O-N 2.63Å; S32-N35 PolarHBondContact O-N 3.07Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 2.9Å
33	C	94.4	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-48.5	168.9	-60.2	0	0	0	0	111.7	I5 R29 M30 N35 T36 V37 F194 M198	I5-C33 HydrophobicContact CG2-CB 4.35Å; R29-C33 PolarHBondContact O-N 2.7Å; R29-C33 PolarHBondContact O-SG 2.91Å; M30-C33 WeakPolarHBondContact O-CB 3.25Å; M30-C33 PolarHBondContact O-N 2.89Å; C33-N35 VanDerWaalsContact C-N 3.34Å; C33-N35 PolarHBondContact O-N 2.88Å; C33-T36 PolarHBondContact O-N 3.42Å; C33-V37 WeakPolarHBondContact O-CG2 3.27Å; C33-V37 PolarHBondContact O-N 3.18Å; C33-F194 HydrophobicContact CB-CE1 4.16Å; C33-F194 HydrophobicContact CB-CZ 3.86Å; C33-M198 HydrophobicContact CB-CE 3.79Å; C33-M198 HydrophobicContact CB-SD 4.14Å
34	R	92.8	Very high	91	Very high	73 Å²	73	42.2 Å²	42.2	28%	0.275	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-39.2	178.5	-177.4	-179	-177.5	-172.3	6.7	112.5	M30 Q31 V37 N38 F146 W150 E154	M30-R34 PolarHBondContact O-N 2.78Å; M30-R34 VanDerWaalsContact O-N 3.13Å; Q31-R34 WeakPolarHBondContact O-CB 3.46Å; Q31-R34 PolarHBondContact O-N 3.19Å; R34-V37 PolarHBondContact O-N 3.19Å; R34-N38 PolarHBondContact O-N 3.02Å; R34-N38 PolarHBondContact O-ND2 3.31Å; R34-F146 HydrophobicContact CB-CE1 4.39Å; R34-F146 HydrophobicContact CB-CZ 4.29Å; R34-F146 HydrophobicContact CG-CE1 4.42Å; R34-W150 HydrophobicContact CB-CE3 4.12Å; R34-W150 HydrophobicContact CB-CH2 4.49Å; R34-W150 HydrophobicContact CB-CZ3 4.04Å; R34-W150 HydrophobicContact CG-CE3 4.49Å; R34-W150 VanDerWaalsContact CZ-NE1 3.33Å; R34-W150 VanDerWaalsContact NH1-NE1 3.11Å; R34-E154 IonicContact NH1-OE1 2.67Å
35	N	93.7	Very high	91.3	Very high	28 Å²	28	44 Å²	44	15%	0.15	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-46.6	173.9	-65.4	-16.8	0	0	0	111.2	P2 D3 Q4 Q31 S32 C33 V37 N38 V39	P2-N35 HydrophobicContact CB-CB 4.39Å; D3-N35 WeakPolarHBondContact O-CB 3.07Å; D3-N35 PolarHBondContact O-ND2 3.31Å; Q4-N35 HydrophobicContact CG-CB 4.37Å; Q31-N35 PolarHBondContact NE2-OD1 3.03Å; Q31-N35 PolarHBondContact O-N 2.56Å; Q31-N35 PolarHBondContact O-ND2 2.92Å; Q31-N35 PolarHBondContact O-OD1 2.88Å; S32-N35 PolarHBondContact O-N 3.07Å; C33-N35 VanDerWaalsContact C-N 3.34Å; C33-N35 PolarHBondContact O-N 2.88Å; N35-V37 VanDerWaalsContact C-N 3.33Å; N35-V37 PolarHBondContact O-N 3.31Å; N35-N38 PolarHBondContact O-N 3.24Å; N35-V39 WeakPolarHBondContact O-CG2 3.5Å; N35-V39 PolarHBondContact O-N 2.81Å; N35-V39 VanDerWaalsContact O-N 3.13Å
36	T	94.9	Very high	91.6	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-43.5	175.3	-63.6	0	0	0	0	111.7	I5 S32 C33 N38 V39 L40	I5-T36 PolarHBondContact N-OG1 2.97Å; I5-T36 PolarHBondContact O-OG1 3.28Å; I5-T36 VanDerWaalsContact O-OG1 3.05Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 2.9Å; C33-T36 PolarHBondContact O-N 3.42Å; T36-N38 PolarHBondContact O-N 3.14Å; T36-V39 PolarHBondContact O-N 3.41Å; T36-L40 HydrophobicContact CG2-CD1 3.79Å; T36-L40 HydrophobicContact CG2-CG 4.3Å; T36-L40 WeakPolarHBondContact O-CB 3.49Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 2.67Å
37	V	93.2	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-41.4	177.1	169.3	0	0	0	0	112.4	C33 R34 N35 L40 E41 K143 F146 M198 Y201	C33-V37 WeakPolarHBondContact O-CG2 3.27Å; C33-V37 PolarHBondContact O-N 3.18Å; R34-V37 PolarHBondContact O-N 3.19Å; N35-V37 VanDerWaalsContact C-N 3.33Å; N35-V37 PolarHBondContact O-N 3.31Å; V37-L40 PolarHBondContact O-N 3.08Å; V37-E41 PolarHBondContact O-N 3.27Å; V37-K143 HydrophobicContact CG1-CD 4.21Å; V37-K143 HydrophobicContact CG1-CG 4.08Å; V37-F146 HydrophobicContact CB-CD1 4.29Å; V37-F146 HydrophobicContact CB-CE1 3.92Å; V37-F146 HydrophobicContact CB-CZ 4.22Å; V37-F146 HydrophobicContact CG1-CD1 3.86Å; V37-F146 HydrophobicContact CG1-CE1 3.96Å; V37-F146 HydrophobicContact CG1-CG 4.5Å; V37-F146 HydrophobicContact CG2-CD1 4.11Å; V37-F146 HydrophobicContact CG2-CD2 4.2Å; V37-F146 HydrophobicContact CG2-CE1 3.79Å; V37-F146 HydrophobicContact CG2-CE2 3.89Å; V37-F146 HydrophobicContact CG2-CG 4.3Å; V37-F146 HydrophobicContact CG2-CZ 3.67Å; V37-M198 HydrophobicContact CG2-CE 4.06Å; V37-M198 HydrophobicContact CG2-SD 3.56Å; V37-M198 VanDerWaalsContact CG2-SD 3.56Å; V37-Y201 HydrophobicContact CB-CE1 4.22Å; V37-Y201 HydrophobicContact CG1-CE1 4.04Å; V37-Y201 HydrophobicContact CG1-CE2 4.04Å; V37-Y201 HydrophobicContact CG2-CD1 3.84Å; V37-Y201 HydrophobicContact CG2-CE1 3.88Å; V37-Y201 HydrophobicContact CG2-CG 4.42Å; V37-Y201 PolarHBondContact O-OH 3.32Å
38	N	91.4	Very high	92.1	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-47.2	176.8	-66.2	-29.9	0	0	0	111.8	R34 N35 T36 L40 E41 E42 K143	R34-N38 PolarHBondContact O-N 3.02Å; R34-N38 PolarHBondContact O-ND2 3.31Å; N35-N38 PolarHBondContact O-N 3.24Å; T36-N38 PolarHBondContact O-N 3.14Å; N38-L40 VanDerWaalsContact C-N 3.29Å; N38-L40 PolarHBondContact O-N 3.47Å; N38-E41 PolarHBondContact O-N 3.24Å; N38-E42 WeakPolarHBondContact O-CG 3.39Å; N38-E42 PolarHBondContact O-N 2.93Å; N38-K143 PolarHBondContact OD1-NZ 2.96Å
39	V	92.9	Very high	92.4	Very high	53 Å²	53	47.8 Å²	47.8	32%	0.321	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-36.5	179.5	175.2	0	0	0	0	111.6	N35 T36 A43	N35-V39 WeakPolarHBondContact O-CG2 3.5Å; N35-V39 PolarHBondContact O-N 2.81Å; N35-V39 VanDerWaalsContact O-N 3.13Å; T36-V39 PolarHBondContact O-N 3.41Å; V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.33Å; V39-A43 VanDerWaalsContact O-N 3.11Å
40	L	92.7	Very high	92.6	Very high	48 Å²	48	46.7 Å²	46.7	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-70.7	-36.2	175.5	-69.3	173.2	0	0	0	112.8	T36 V37 N38 L44 Y201 L202 V205	T36-L40 HydrophobicContact CG2-CD1 3.79Å; T36-L40 HydrophobicContact CG2-CG 4.3Å; T36-L40 WeakPolarHBondContact O-CB 3.49Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.3Å; T36-L40 PolarHBondContact O-N 2.67Å; V37-L40 PolarHBondContact O-N 3.08Å; N38-L40 VanDerWaalsContact C-N 3.29Å; N38-L40 PolarHBondContact O-N 3.47Å; L40-L44 WeakPolarHBondContact O-CB 3.21Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.49Å; L40-L44 PolarHBondContact O-N 2.8Å; L40-Y201 HydrophobicContact CB-CE1 4.11Å; L40-Y201 HydrophobicContact CD1-CE1 4.01Å; L40-L202 HydrophobicContact CD1-CD2 4.07Å; L40-V205 HydrophobicContact CD1-CG1 4.31Å; L40-V205 HydrophobicContact CD2-CG1 4.18Å
41	E	90.8	Very high	92.8	Very high	38 Å²	38	47.5 Å²	47.5	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-47.7	173.5	-176	-179.7	-152.4	0	0	111.6	V37 N38 A43 L44 D45 K143 Y201	V37-E41 PolarHBondContact O-N 3.27Å; N38-E41 PolarHBondContact O-N 3.24Å; E41-A43 PolarHBondContact O-N 3.2Å; E41-L44 PolarHBondContact O-N 2.9Å; E41-L44 VanDerWaalsContact O-N 3.16Å; E41-D45 PolarHBondContact O-N 3.1Å; E41-K143 WeakPolarHBondContact OE2-CD 3.29Å; E41-K143 WeakPolarHBondContact OE2-CE 3.49Å; E41-K143 IonicContact OE2-NZ 3.24Å; E41-K143 PolarHBondContact OE2-NZ 2.93Å; E41-Y201 PolarHBondContact N-OH 3.15Å
42	E	91.1	Very high	93	Very high	140 Å²	140	47.1 Å²	47.1	65%	0.654	25%	0.245	S	C	*	.	H	α-helix	trans	-58.9	-45.9	177.6	-72.3	175.2	-173.5	0	0	111.8	N38 L44 D45 Q46	N38-E42 WeakPolarHBondContact O-CG 3.39Å; N38-E42 PolarHBondContact O-N 2.93Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.86Å; E42-D45 PolarHBondContact O-N 2.85Å; E42-Q46 WeakPolarHBondContact O-CB 3.32Å; E42-Q46 PolarHBondContact O-N 2.93Å
43	A	92.5	Very high	93.1	Very high	46 Å²	46	53.5 Å²	53.5	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-38.4	175.8	0	0	0	0	0	112.5	V39 E41 D47	V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.33Å; V39-A43 VanDerWaalsContact O-N 3.11Å; E41-A43 PolarHBondContact O-N 3.2Å; A43-D47 WeakPolarHBondContact O-CB 3.25Å; A43-D47 PolarHBondContact O-N 2.86Å
44	L	92.7	Very high	93.1	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-72.9	-34.6	179.5	-75.2	175	0	0	0	113.6	L40 E41 E42 R48 L135 V138 L142 V205 I208	L40-L44 WeakPolarHBondContact O-CB 3.21Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.49Å; L40-L44 PolarHBondContact O-N 2.8Å; E41-L44 PolarHBondContact O-N 2.9Å; E41-L44 VanDerWaalsContact O-N 3.16Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.86Å; L44-R48 WeakPolarHBondContact O-CB 3.48Å; L44-R48 PolarHBondContact O-N 2.79Å; L44-L135 HydrophobicContact CD2-CD2 4.08Å; L44-V138 HydrophobicContact CB-CG1 3.69Å; L44-L142 HydrophobicContact CD1-CD2 4.25Å; L44-V205 HydrophobicContact CD1-CG1 4.4Å; L44-V205 HydrophobicContact CD1-CG2 3.97Å; L44-I208 HydrophobicContact CD1-CD1 4.48Å; L44-I208 HydrophobicContact CD2-CG2 3.55Å
45	D	90.4	Very high	93.3	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-74.2	-32.8	175.1	-156.2	46.2	0	0	0	111.9	E41 E42 R48 T49	E41-D45 PolarHBondContact O-N 3.1Å; E42-D45 PolarHBondContact O-N 2.85Å; D45-R48 VanDerWaalsContact OD1-CD 3.3Å; D45-R48 WeakPolarHBondContact OD1-CD 3.44Å; D45-T49 WeakPolarHBondContact O-CB 3.38Å; D45-T49 PolarHBondContact O-N 2.85Å; D45-T49 PolarHBondContact O-OG1 2.77Å
46	Q	92.2	Very high	93.4	Very high	113 Å²	113	61.3 Å²	61.3	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-45.3	170.6	-177.3	54.7	89.7	0	0	111.8	E42 T49 S50	E42-Q46 WeakPolarHBondContact O-CB 3.32Å; E42-Q46 PolarHBondContact O-N 2.93Å; Q46-T49 PolarHBondContact O-N 3.21Å; Q46-S50 PolarHBondContact O-N 3.11Å; Q46-S50 PolarHBondContact O-OG 3.37Å
47	D	92.7	Very high	93.5	Very high	57 Å²	57	64.2 Å²	64.2	31%	0.305	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-44.2	175	-83.1	-19.9	0	0	0	112.1	A43 T49 S50 L51 K212	A43-D47 WeakPolarHBondContact O-CB 3.25Å; A43-D47 PolarHBondContact O-N 2.86Å; D47-T49 VanDerWaalsContact C-N 3.26Å; D47-T49 PolarHBondContact O-N 2.93Å; D47-S50 PolarHBondContact O-N 2.84Å; D47-L51 WeakPolarHBondContact O-CB 3.22Å; D47-L51 VanDerWaalsContact O-CG 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.34Å; D47-L51 PolarHBondContact O-N 2.64Å; D47-K212 VanDerWaalsContact OD2-CE 3.32Å; D47-K212 WeakPolarHBondContact OD2-CE 3.47Å; D47-K212 IonicContact OD2-NZ 3.71Å; D47-K212 PolarHBondContact OD2-NZ 2.83Å
48	R	92.8	Very high	93.7	Very high	65 Å²	65	65 Å²	65	25%	0.245	34%	0.338	C	S	.	.	H	α-helix	trans	-52.4	-47.2	172.5	177.2	-159	-176	113.5	11.8	110.8	L44 D45 L51 Q52 L131 L135	L44-R48 WeakPolarHBondContact O-CB 3.48Å; L44-R48 PolarHBondContact O-N 2.79Å; D45-R48 VanDerWaalsContact OD1-CD 3.3Å; D45-R48 WeakPolarHBondContact OD1-CD 3.44Å; R48-L51 PolarHBondContact O-N 3.49Å; R48-Q52 VanDerWaalsContact O-CG 3.27Å; R48-Q52 WeakPolarHBondContact O-CG 3.49Å; R48-Q52 PolarHBondContact O-N 3.42Å; R48-L131 HydrophobicContact CG-CD2 4.23Å; R48-L135 HydrophobicContact CB-CD1 4.45Å; R48-L135 PolarHBondContact NH1-O 3.04Å
49	T	92.9	Very high	94	Very high	61 Å²	61	66.1 Å²	66.1	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-42.1	179.9	-63.2	0	0	0	0	111.9	D45 Q46 D47 K53	D45-T49 WeakPolarHBondContact O-CB 3.38Å; D45-T49 PolarHBondContact O-N 2.85Å; D45-T49 PolarHBondContact O-OG1 2.77Å; Q46-T49 PolarHBondContact O-N 3.21Å; D47-T49 VanDerWaalsContact C-N 3.26Å; D47-T49 PolarHBondContact O-N 2.93Å; T49-K53 WeakPolarHBondContact O-CG 3.42Å; T49-K53 PolarHBondContact O-N 2.7Å
50	S	94.7	Very high	94.2	Very high	51 Å²	51	67.3 Å²	67.3	36%	0.357	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-46.4	175.3	-63.7	0	0	0	0	112.2	Q46 D47 Q52 K53 V54	Q46-S50 PolarHBondContact O-N 3.11Å; Q46-S50 PolarHBondContact O-OG 3.37Å; D47-S50 PolarHBondContact O-N 2.84Å; S50-Q52 PolarHBondContact O-N 3.17Å; S50-K53 WeakPolarHBondContact O-CB 3.16Å; S50-K53 PolarHBondContact O-N 3.01Å; S50-K53 VanDerWaalsContact O-N 3.13Å; S50-V54 PolarHBondContact O-N 3.25Å
51	L	95	Very high	94.4	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-34.2	179.9	-71.2	168.3	0	0	0	112.7	D47 R48 V54 K55 L127 L130 L131 L135 K212 L216	D47-L51 WeakPolarHBondContact O-CB 3.22Å; D47-L51 VanDerWaalsContact O-CG 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.34Å; D47-L51 PolarHBondContact O-N 2.64Å; R48-L51 PolarHBondContact O-N 3.49Å; L51-V54 PolarHBondContact O-N 2.86Å; L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 3.49Å; L51-L127 HydrophobicContact CD2-CD2 3.82Å; L51-L130 HydrophobicContact CD1-CD2 3.89Å; L51-L131 HydrophobicContact CB-CD1 4.17Å; L51-L131 HydrophobicContact CB-CD2 3.92Å; L51-L131 HydrophobicContact CB-CG 4.35Å; L51-L135 HydrophobicContact CD1-CD1 3.83Å; L51-K212 HydrophobicContact CD1-CB 4.45Å; L51-L216 HydrophobicContact CD2-CD2 3.67Å
52	Q	94.8	Very high	94.7	Very high	72 Å²	72	70.2 Å²	70.2	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-37.6	171.4	-69	-74.5	7	0	0	112	R48 S50 K55 K56 L131	R48-Q52 VanDerWaalsContact O-CG 3.27Å; R48-Q52 WeakPolarHBondContact O-CG 3.49Å; R48-Q52 PolarHBondContact O-N 3.42Å; S50-Q52 PolarHBondContact O-N 3.17Å; Q52-K55 PolarHBondContact O-N 3.24Å; Q52-K56 PolarHBondContact O-N 2.78Å; Q52-L131 HydrophobicContact CG-CD1 4.15Å; Q52-L131 HydrophobicContact CG-CD2 3.94Å
53	K	96.1	Very high	95	Very high	139 Å²	139	68 Å²	68	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-63.8	-48.5	174.3	-68.7	172.8	-178.3	178.5	0	110.9	T49 S50 K55 K56 S57	T49-K53 WeakPolarHBondContact O-CG 3.42Å; T49-K53 PolarHBondContact O-N 2.7Å; S50-K53 WeakPolarHBondContact O-CB 3.16Å; S50-K53 PolarHBondContact O-N 3.01Å; S50-K53 VanDerWaalsContact O-N 3.13Å; K53-K55 PolarHBondContact O-N 3.47Å; K53-K56 PolarHBondContact O-N 2.91Å; K53-K56 VanDerWaalsContact O-N 3.16Å; K53-S57 PolarHBondContact O-N 3.06Å; K53-S57 PolarHBondContact O-OG 3.4Å
54	V	95.8	Very high	95.2	Very high	74 Å²	74	69 Å²	69	45%	0.448	36%	0.361	S	S	.	.	H	α-helix	trans	-55.5	-50.3	175	175.6	0	0	0	0	110.6	S50 L51 K56 S57 V58 L127	S50-V54 PolarHBondContact O-N 3.25Å; L51-V54 PolarHBondContact O-N 2.86Å; V54-K56 VanDerWaalsContact C-N 3.33Å; V54-K56 PolarHBondContact O-N 3.43Å; V54-S57 PolarHBondContact O-N 3.36Å; V54-V58 HydrophobicContact CG1-CG2 4.21Å; V54-V58 WeakPolarHBondContact O-CG2 3.34Å; V54-V58 PolarHBondContact O-N 3.15Å; V54-L127 HydrophobicContact CG1-CD1 3.98Å
55	K	95.9	Very high	95.4	Very high	25 Å²	25	69.5 Å²	69.5	11%	0.109	37%	0.366	C	S	.	.	H	α-helix	trans	-58.1	-40.1	177.3	177.4	-178.9	146.7	-169.9	0	112.8	L51 Q52 K53 K59 L127 D128 L131	L51-K55 VanDerWaalsContact O-CB 3.32Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 3.49Å; Q52-K55 PolarHBondContact O-N 3.24Å; K53-K55 PolarHBondContact O-N 3.47Å; K55-K59 WeakPolarHBondContact O-CB 3.07Å; K55-K59 WeakPolarHBondContact O-CG 3.4Å; K55-K59 PolarHBondContact O-N 2.94Å; K55-L127 HydrophobicContact CB-CB 4.18Å; K55-L127 HydrophobicContact CB-CD1 4.07Å; K55-L127 HydrophobicContact CD-CB 4.38Å; K55-L127 HydrophobicContact CG-CB 4.32Å; K55-D128 VanDerWaalsContact CE-CG 3.47Å; K55-D128 WeakPolarHBondContact CE-OD1 3.41Å; K55-D128 WeakPolarHBondContact CE-OD2 3.43Å; K55-D128 IonicContact NZ-OD1 3.73Å; K55-D128 PolarHBondContact NZ-OD1 2.9Å; K55-D128 IonicContact NZ-OD2 2.74Å; K55-L131 HydrophobicContact CB-CD1 4.13Å; K55-L131 HydrophobicContact CD-CD1 3.63Å
56	K	97	Very high	95.7	Very high	166 Å²	166	70 Å²	70	72%	0.722	37%	0.366	S	S	*	.	H	α-helix	trans	-62.4	-47.7	176.3	-172.5	-179.6	178.6	-176.7	0	110.9	Q52 K53 V54 K59 S60	Q52-K56 PolarHBondContact O-N 2.78Å; K53-K56 PolarHBondContact O-N 2.91Å; K53-K56 VanDerWaalsContact O-N 3.16Å; V54-K56 VanDerWaalsContact C-N 3.33Å; V54-K56 PolarHBondContact O-N 3.43Å; K56-K59 PolarHBondContact O-N 3.06Å; K56-S60 PolarHBondContact O-N 2.86Å
57	S	97	Very high	95.9	Very high	73 Å²	73	69.2 Å²	69.2	51%	0.51	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-45	177.9	-57.4	0	0	0	0	112.2	K53 V54 K59 S60 I61	K53-S57 PolarHBondContact O-N 3.06Å; K53-S57 PolarHBondContact O-OG 3.4Å; V54-S57 PolarHBondContact O-N 3.36Å; S57-K59 PolarHBondContact O-N 3.15Å; S57-S60 VanDerWaalsContact O-CB 3.31Å; S57-S60 WeakPolarHBondContact O-CB 3.47Å; S57-S60 PolarHBondContact O-N 3.16Å; S57-S60 VanDerWaalsContact O-N 3.13Å; S57-I61 WeakPolarHBondContact O-CG1 3.15Å; S57-I61 PolarHBondContact O-N 3.46Å
58	V	96.8	Very high	96	Very high	17 Å²	17	71.3 Å²	71.3	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-38.5	178.4	177.5	0	0	0	0	111.8	V54 S60 I61 Y62 L119 V123 I124	V54-V58 HydrophobicContact CG1-CG2 4.21Å; V54-V58 WeakPolarHBondContact O-CG2 3.34Å; V54-V58 PolarHBondContact O-N 3.15Å; V58-S60 VanDerWaalsContact C-N 3.34Å; V58-I61 PolarHBondContact O-N 2.82Å; V58-Y62 PolarHBondContact O-N 2.71Å; V58-L119 HydrophobicContact CG1-CD1 3.72Å; V58-L119 HydrophobicContact CG1-CD2 4.18Å; V58-L119 HydrophobicContact CG1-CG 3.84Å; V58-V123 HydrophobicContact CG1-CB 4.29Å; V58-V123 HydrophobicContact CG1-CG1 4.02Å; V58-V123 HydrophobicContact CG2-CG1 4.15Å; V58-I124 HydrophobicContact CB-CG1 4.47Å; V58-I124 HydrophobicContact CG1-CD1 4.06Å; V58-I124 HydrophobicContact CG1-CG1 3.51Å
59	K	97.1	Very high	96.3	Very high	75 Å²	75	68.4 Å²	68.4	33%	0.326	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-36.4	172.2	-74.8	-162.5	177.4	-161.6	0	112.7	K55 K56 S57 Y62 N63 I124 D128	K55-K59 WeakPolarHBondContact O-CB 3.07Å; K55-K59 WeakPolarHBondContact O-CG 3.4Å; K55-K59 PolarHBondContact O-N 2.94Å; K56-K59 PolarHBondContact O-N 3.06Å; S57-K59 PolarHBondContact O-N 3.15Å; K59-Y62 PolarHBondContact O-N 3.4Å; K59-N63 WeakPolarHBondContact O-CB 3.36Å; K59-N63 VanDerWaalsContact O-CG 3.29Å; K59-N63 PolarHBondContact O-N 2.85Å; K59-N63 PolarHBondContact O-OD1 3.09Å; K59-I124 HydrophobicContact CD-CG2 4.4Å; K59-I124 HydrophobicContact CG-CD1 4.07Å; K59-I124 HydrophobicContact CG-CG1 4.36Å; K59-I124 HydrophobicContact CG-CG2 4.14Å; K59-D128 VanDerWaalsContact CE-OD2 3.23Å; K59-D128 WeakPolarHBondContact CE-OD2 3.4Å; K59-D128 IonicContact NZ-OD2 3.67Å; K59-D128 PolarHBondContact NZ-OD2 2.94Å
60	S	97.4	Very high	96.3	Very high	78 Å²	78	69.8 Å²	69.8	55%	0.545	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-47.5	173.8	-156	0	0	0	0	111.3	K56 S57 V58 Y62 N63 S64	K56-S60 PolarHBondContact O-N 2.86Å; S57-S60 VanDerWaalsContact O-CB 3.31Å; S57-S60 WeakPolarHBondContact O-CB 3.47Å; S57-S60 PolarHBondContact O-N 3.16Å; S57-S60 VanDerWaalsContact O-N 3.13Å; V58-S60 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.05Å; S60-N63 PolarHBondContact O-N 2.9Å; S60-S64 PolarHBondContact O-N 3.12Å; S60-S64 PolarHBondContact O-OG 3.44Å
61	I	96.8	Very high	96.3	Very high	92 Å²	92	72.2 Å²	72.2	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-44.8	177.7	-66.1	164.3	0	0	0	111.1	S57 V58 S64 G65 L119	S57-I61 WeakPolarHBondContact O-CG1 3.15Å; S57-I61 PolarHBondContact O-N 3.46Å; V58-I61 PolarHBondContact O-N 2.82Å; I61-S64 PolarHBondContact O-OG 3.48Å; I61-G65 PolarHBondContact O-N 3.35Å; I61-L119 HydrophobicContact CB-CD2 4.36Å; I61-L119 HydrophobicContact CG2-CD2 3.8Å
62	Y	97.7	Very high	96.3	Very high	54 Å²	54	73.1 Å²	73.1	21%	0.212	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-47.8	178.3	174.5	-101.6	0	0	0	112.1	V58 K59 S60 G65 Q66 L116 I124	V58-Y62 PolarHBondContact O-N 2.71Å; K59-Y62 PolarHBondContact O-N 3.4Å; S60-Y62 PolarHBondContact O-N 3.05Å; Y62-G65 PolarHBondContact O-N 2.88Å; Y62-Q66 HydrophobicContact CD1-CG 4.43Å; Y62-Q66 HydrophobicContact CD2-CG 4.36Å; Y62-Q66 HydrophobicContact CE1-CG 4.01Å; Y62-Q66 HydrophobicContact CE2-CG 3.9Å; Y62-Q66 VanDerWaalsContact O-CG 3.3Å; Y62-Q66 WeakPolarHBondContact O-CG 3.26Å; Y62-Q66 PolarHBondContact O-N 3.24Å; Y62-L116 HydrophobicContact CD2-CB 4.11Å; Y62-L116 WeakPolarHBondContact CD2-O 3.25Å; Y62-L116 HydrophobicContact CE2-CB 4.15Å; Y62-L116 WeakPolarHBondContact CE2-O 3.31Å; Y62-I124 HydrophobicContact CD1-CD1 4.2Å; Y62-I124 HydrophobicContact CD2-CD1 4.41Å; Y62-I124 HydrophobicContact CG-CD1 3.79Å
63	N	96.4	Very high	96.3	Very high	93 Å²	93	71.8 Å²	71.8	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-55.1	178.9	-71.5	17.2	0	0	0	111	K59 S60 G65 Q66 D67	K59-N63 WeakPolarHBondContact O-CB 3.36Å; K59-N63 VanDerWaalsContact O-CG 3.29Å; K59-N63 PolarHBondContact O-N 2.85Å; K59-N63 PolarHBondContact O-OD1 3.09Å; S60-N63 PolarHBondContact O-N 2.9Å; N63-G65 PolarHBondContact O-N 2.85Å; N63-G65 VanDerWaalsContact O-N 3.16Å; N63-Q66 WeakPolarHBondContact O-CB 3.45Å; N63-Q66 PolarHBondContact O-N 3.2Å; N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.27Å
64	S	97.7	Very high	96.3	Very high	69 Å²	69	68.7 Å²	68.7	48%	0.483	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-28.9	179.9	58.1	0	0	0	0	113.2	S60 I61 H68	S60-S64 PolarHBondContact O-N 3.12Å; S60-S64 PolarHBondContact O-OG 3.44Å; I61-S64 PolarHBondContact O-OG 3.48Å; S64-H68 WeakPolarHBondContact O-CB 3.3Å; S64-H68 PolarHBondContact O-N 3.36Å
65	G	96.9	Very high	96.3	Very high	11 Å²	11	71.3 Å²	71.3	11%	0.113	37%	0.365	C	S	.	.	H	α-helix	trans	-70.5	-40.4	173.3	0	0	0	0	0	112.8	I61 Y62 N63 H68 V69 L116	I61-G65 PolarHBondContact O-N 3.35Å; Y62-G65 PolarHBondContact O-N 2.88Å; N63-G65 PolarHBondContact O-N 2.85Å; N63-G65 VanDerWaalsContact O-N 3.16Å; G65-H68 PolarHBondContact O-N 3.12Å; G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.09Å; G65-L116 WeakPolarHBondContact O-CD1 3.39Å
66	Q	96.5	Very high	96.4	Very high	63 Å²	63	70.1 Å²	70.1	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-41.8	175.1	-70.2	-79.3	110.9	0	0	111	Y62 N63 H68 V69 Q70	Y62-Q66 HydrophobicContact CD1-CG 4.43Å; Y62-Q66 HydrophobicContact CD2-CG 4.36Å; Y62-Q66 HydrophobicContact CE1-CG 4.01Å; Y62-Q66 HydrophobicContact CE2-CG 3.9Å; Y62-Q66 VanDerWaalsContact O-CG 3.3Å; Y62-Q66 WeakPolarHBondContact O-CG 3.26Å; Y62-Q66 PolarHBondContact O-N 3.24Å; N63-Q66 WeakPolarHBondContact O-CB 3.45Å; N63-Q66 PolarHBondContact O-N 3.2Å; Q66-H68 VanDerWaalsContact C-N 3.32Å; Q66-H68 PolarHBondContact O-N 3.05Å; Q66-V69 PolarHBondContact O-N 2.85Å; Q66-Q70 PolarHBondContact O-N 2.83Å
67	D	95.4	Very high	96.3	Very high	98 Å²	98	67.6 Å²	67.6	52%	0.524	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-40	174.5	-55.6	-34.4	0	0	0	110.9	N63 Q70 N71	N63-D67 VanDerWaalsContact O-CG 3.27Å; N63-D67 PolarHBondContact O-N 3.27Å; D67-Q70 PolarHBondContact O-N 3.31Å; D67-N71 PolarHBondContact O-N 2.93Å; D67-N71 VanDerWaalsContact O-N 3.08Å; D67-N71 PolarHBondContact O-ND2 3.42Å
68	H	96.2	Very high	96.3	Very high	101 Å²	101	67.1 Å²	67.1	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-65.5	-46.9	176.2	-172.7	43.5	0	0	0	112.4	S64 G65 Q66 Q70 N71 E72	S64-H68 WeakPolarHBondContact O-CB 3.3Å; S64-H68 PolarHBondContact O-N 3.36Å; G65-H68 PolarHBondContact O-N 3.12Å; Q66-H68 VanDerWaalsContact C-N 3.32Å; Q66-H68 PolarHBondContact O-N 3.05Å; H68-Q70 VanDerWaalsContact C-N 3.33Å; H68-Q70 PolarHBondContact O-N 3.42Å; H68-N71 PolarHBondContact O-N 2.93Å; H68-N71 VanDerWaalsContact O-N 3.15Å; H68-E72 PolarHBondContact O-N 3.14Å
69	V	97.1	Very high	96.2	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-57	-44.5	174.4	164.5	0	0	0	0	111.4	G65 Q66 N71 E72 E73 S109 L112 K113 L116	G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.09Å; Q66-V69 PolarHBondContact O-N 2.85Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 2.87Å; V69-E72 PolarHBondContact O-N 3.08Å; V69-E73 WeakPolarHBondContact O-CG 3.29Å; V69-E73 PolarHBondContact O-N 3.46Å; V69-S109 PolarHBondContact O-OG 2.86Å; V69-L112 HydrophobicContact CG2-CB 4Å; V69-L112 HydrophobicContact CG2-CD2 3.69Å; V69-L112 HydrophobicContact CG2-CG 3.66Å; V69-K113 HydrophobicContact CG1-CB 4.1Å; V69-K113 HydrophobicContact CG1-CD 3.79Å; V69-K113 HydrophobicContact CG1-CG 3.96Å; V69-K113 HydrophobicContact CG2-CB 4.38Å; V69-L116 HydrophobicContact CG2-CD1 3.82Å
70	Q	94.9	Very high	96.1	Very high	91 Å²	91	66.2 Å²	66.2	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178.4	-171.2	61	71.6	0	0	112	Q66 D67 H68 E73 N74	Q66-Q70 PolarHBondContact O-N 2.83Å; D67-Q70 PolarHBondContact O-N 3.31Å; H68-Q70 VanDerWaalsContact C-N 3.33Å; H68-Q70 PolarHBondContact O-N 3.42Å; Q70-E73 PolarHBondContact O-N 3.03Å; Q70-N74 PolarHBondContact NE2-OD1 3.06Å; Q70-N74 WeakPolarHBondContact O-CB 3.21Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 2.94Å; Q70-N74 PolarHBondContact O-OD1 2.79Å
71	N	94.7	Very high	95.9	Very high	102 Å²	102	69.3 Å²	69.3	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-37.7	176.8	-75.8	-55.1	0	0	0	112.6	D67 H68 V69 N74 Y75	D67-N71 PolarHBondContact O-N 2.93Å; D67-N71 VanDerWaalsContact O-N 3.08Å; D67-N71 PolarHBondContact O-ND2 3.42Å; H68-N71 PolarHBondContact O-N 2.93Å; H68-N71 VanDerWaalsContact O-N 3.15Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 2.87Å; N71-N74 PolarHBondContact O-N 3.18Å; N71-Y75 VanDerWaalsContact O-CB 3.31Å; N71-Y75 WeakPolarHBondContact O-CB 3.27Å; N71-Y75 PolarHBondContact O-N 3.02Å
72	E	94.5	Very high	95.7	Very high	40 Å²	40	70 Å²	70	19%	0.187	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-43.6	171	-73.1	-173	128.3	0	0	112	H68 V69 N74 Y75 A76 T105 S109	H68-E72 PolarHBondContact O-N 3.14Å; V69-E72 PolarHBondContact O-N 3.08Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.19Å; E72-Y75 PolarHBondContact O-N 3.04Å; E72-A76 VanDerWaalsContact O-CB 3.26Å; E72-A76 WeakPolarHBondContact O-CB 3.35Å; E72-A76 PolarHBondContact O-N 2.85Å; E72-T105 HydrophobicContact CB-CG2 4.34Å; E72-S109 WeakPolarHBondContact CB-OG 3.45Å; E72-S109 VanDerWaalsContact OE2-CA 3.3Å; E72-S109 WeakPolarHBondContact OE2-CA 3.46Å; E72-S109 WeakPolarHBondContact OE2-CB 3.43Å; E72-S109 PolarHBondContact OE2-OG 3.48Å
73	E	94.9	Very high	95.5	Very high	43 Å²	43	67.4 Å²	67.4	20%	0.201	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-39.9	176.2	-75.8	-179.9	176.9	0	0	111.7	V69 Q70 Q77 K113	V69-E73 WeakPolarHBondContact O-CG 3.29Å; V69-E73 PolarHBondContact O-N 3.46Å; Q70-E73 PolarHBondContact O-N 3.03Å; E73-Q77 WeakPolarHBondContact O-CB 3.4Å; E73-Q77 VanDerWaalsContact O-CG 3.24Å; E73-Q77 WeakPolarHBondContact O-CG 3.38Å; E73-Q77 PolarHBondContact O-N 2.84Å; E73-Q77 PolarHBondContact O-NE2 3.13Å; E73-K113 IonicContact OE1-NZ 2.74Å; E73-K113 PolarHBondContact OE1-NZ 3.16Å; E73-K113 IonicContact OE2-NZ 2.74Å; E73-K113 PolarHBondContact OE2-NZ 3.03Å
74	N	95.3	Very high	95.3	Very high	74 Å²	74	65.7 Å²	65.7	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-47.7	176.6	-67.5	-5.1	0	0	0	111.9	Q70 N71 E72 A76 Q77 A78	Q70-N74 PolarHBondContact NE2-OD1 3.06Å; Q70-N74 WeakPolarHBondContact O-CB 3.21Å; Q70-N74 PolarHBondContact O-N 2.77Å; Q70-N74 PolarHBondContact O-ND2 2.94Å; Q70-N74 PolarHBondContact O-OD1 2.79Å; N71-N74 PolarHBondContact O-N 3.18Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.19Å; N74-A76 VanDerWaalsContact C-N 3.34Å; N74-A76 PolarHBondContact O-N 3.16Å; N74-Q77 PolarHBondContact O-N 2.76Å; N74-A78 PolarHBondContact O-N 3.24Å
75	Y	96.8	Very high	94.9	Very high	130 Å²	130	66.4 Å²	66.4	51%	0.51	34%	0.335	S	S	.	.	H	α-helix	trans	-58.9	-45.3	176	162.1	-99.7	0	0	0	111.4	N71 E72 Q77 A78 L79 T105	N71-Y75 VanDerWaalsContact O-CB 3.31Å; N71-Y75 WeakPolarHBondContact O-CB 3.27Å; N71-Y75 PolarHBondContact O-N 3.02Å; E72-Y75 PolarHBondContact O-N 3.04Å; Y75-Q77 PolarHBondContact O-N 2.95Å; Y75-A78 PolarHBondContact O-N 3.22Å; Y75-L79 HydrophobicContact CE1-CD2 4.3Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.49Å; Y75-T105 HydrophobicContact CD1-CG2 4.04Å; Y75-T105 HydrophobicContact CE1-CG2 4.22Å
76	A	96.8	Very high	94.4	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-39.5	178.5	0	0	0	0	0	112	E72 N74 L79 D80 S102 T105 K106	E72-A76 VanDerWaalsContact O-CB 3.26Å; E72-A76 WeakPolarHBondContact O-CB 3.35Å; E72-A76 PolarHBondContact O-N 2.85Å; N74-A76 VanDerWaalsContact C-N 3.34Å; N74-A76 PolarHBondContact O-N 3.16Å; A76-L79 PolarHBondContact O-N 3.19Å; A76-D80 WeakPolarHBondContact O-CB 3.42Å; A76-D80 PolarHBondContact O-N 3.42Å; A76-S102 VanDerWaalsContact O-CB 3.31Å; A76-S102 WeakPolarHBondContact O-CB 3.4Å; A76-S102 PolarHBondContact O-OG 2.64Å; A76-T105 HydrophobicContact CB-CG2 4.2Å; A76-K106 HydrophobicContact CB-CD 4.43Å; A76-K106 HydrophobicContact CB-CG 3.75Å
77	Q	95.7	Very high	94	Very high	112 Å²	112	68.4 Å²	68.4	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-41.8	173.4	-76.9	171.3	60.3	0	0	112.8	E73 N74 Y75 L79 D80 K81	E73-Q77 WeakPolarHBondContact O-CB 3.4Å; E73-Q77 VanDerWaalsContact O-CG 3.24Å; E73-Q77 WeakPolarHBondContact O-CG 3.38Å; E73-Q77 PolarHBondContact O-N 2.84Å; E73-Q77 PolarHBondContact O-NE2 3.13Å; N74-Q77 PolarHBondContact O-N 2.76Å; Y75-Q77 PolarHBondContact O-N 2.95Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; Q77-D80 VanDerWaalsContact O-CB 3.29Å; Q77-D80 WeakPolarHBondContact O-CB 3.46Å; Q77-D80 PolarHBondContact O-N 3.05Å; Q77-K81 PolarHBondContact O-N 3.23Å
78	A	95.7	Very high	93.2	Very high	63 Å²	63	68 Å²	68	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-42.5	175.6	0	0	0	0	0	111.5	N74 Y75 K81 F82	N74-A78 PolarHBondContact O-N 3.24Å; Y75-A78 PolarHBondContact O-N 3.22Å; A78-K81 PolarHBondContact O-N 2.94Å; A78-F82 WeakPolarHBondContact O-CB 3.38Å; A78-F82 PolarHBondContact O-N 3.14Å
79	L	95.3	Very high	92.1	Very high	25 Å²	25	73.1 Å²	73.1	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-68.6	-32.9	177.5	-158.1	66.1	0	0	0	112.7	Y75 A76 Q77 G83 F98 F101	Y75-L79 HydrophobicContact CE1-CD2 4.3Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.49Å; A76-L79 PolarHBondContact O-N 3.19Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 3.34Å; L79-G83 PolarHBondContact O-N 3.09Å; L79-F98 HydrophobicContact CD1-CB 4.36Å; L79-F98 HydrophobicContact CD1-CD1 3.81Å; L79-F98 HydrophobicContact CD1-CG 4.48Å; L79-F98 HydrophobicContact CG-CB 4.28Å; L79-F98 HydrophobicContact CG-CD1 4.48Å; L79-F101 HydrophobicContact CD2-CB 3.58Å
80	D	95.3	Very high	91.1	Very high	48 Å²	48	77.9 Å²	77.9	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-50	171.5	-135.6	40.2	0	0	0	111.5	A76 Q77 G83 S84 S102 K106	A76-D80 WeakPolarHBondContact O-CB 3.42Å; A76-D80 PolarHBondContact O-N 3.42Å; Q77-D80 VanDerWaalsContact O-CB 3.29Å; Q77-D80 WeakPolarHBondContact O-CB 3.46Å; Q77-D80 PolarHBondContact O-N 3.05Å; D80-G83 PolarHBondContact O-N 3.45Å; D80-S84 WeakPolarHBondContact O-CB 3.25Å; D80-S84 PolarHBondContact O-N 2.99Å; D80-S84 PolarHBondContact O-OG 3.07Å; D80-S102 WeakPolarHBondContact CB-OG 3.3Å; D80-S102 WeakPolarHBondContact OD1-CB 3.42Å; D80-S102 PolarHBondContact OD1-OG 3.27Å; D80-K106 IonicContact OD1-NZ 2.7Å; D80-K106 PolarHBondContact OD1-NZ 2.9Å; D80-K106 VanDerWaalsContact OD1-NZ 3.13Å; D80-K106 IonicContact OD2-NZ 3.63Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å
81	K	93.6	Very high	90.2	Very high	144 Å²	144	75.9 Å²	75.9	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-67.4	-43.9	-179.3	-174	178.9	179.8	-177.3	0	110.8	Q77 A78 S84 N85	Q77-K81 PolarHBondContact O-N 3.23Å; A78-K81 PolarHBondContact O-N 2.94Å; K81-S84 PolarHBondContact O-N 3.16Å; K81-N85 WeakPolarHBondContact O-CB 3.45Å; K81-N85 PolarHBondContact O-N 2.89Å; K81-N85 PolarHBondContact O-OD1 2.95Å
82	F	93.3	Very high	89.6	Confident	106 Å²	106	74.4 Å²	74.4	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-59.9	-49.8	174.7	-178.9	-104.1	0	0	0	111.4	A78 S84 N85 F86 F98	A78-F82 WeakPolarHBondContact O-CB 3.38Å; A78-F82 PolarHBondContact O-N 3.14Å; F82-S84 PolarHBondContact O-N 3.39Å; F82-N85 PolarHBondContact O-N 2.91Å; F82-F86 HydrophobicContact CZ-CD2 4.17Å; F82-F86 WeakPolarHBondContact O-CB 3.25Å; F82-F86 PolarHBondContact O-N 2.86Å; F82-F98 HydrophobicContact CD1-CB 4.41Å; F82-F98 HydrophobicContact CD1-CD1 4.23Å; F82-F98 AromaticContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CE2 4.27Å; F82-F98 AromaticContact CD1-CG 3.93Å; F82-F98 HydrophobicContact CD1-CG 3.93Å; F82-F98 HydrophobicContact CE1-CD1 4.31Å; F82-F98 AromaticContact CE1-CD2 3.77Å; F82-F98 HydrophobicContact CE1-CD2 3.77Å; F82-F98 HydrophobicContact CE1-CE1 4.17Å; F82-F98 AromaticContact CE1-CE2 3.63Å; F82-F98 HydrophobicContact CE1-CE2 3.63Å; F82-F98 HydrophobicContact CE1-CG 4.13Å; F82-F98 AromaticContact CE1-CZ 3.84Å; F82-F98 HydrophobicContact CE1-CZ 3.84Å
83	G	93.2	Very high	89	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-59.2	-46.5	177	0	0	0	0	0	113	L79 D80 N85 F86 I87 G95	L79-G83 PolarHBondContact O-N 3.09Å; D80-G83 PolarHBondContact O-N 3.45Å; G83-N85 PolarHBondContact O-N 2.89Å; G83-F86 PolarHBondContact O-N 3.29Å; G83-I87 WeakPolarHBondContact O-CG1 3.16Å; G83-I87 PolarHBondContact O-N 2.78Å; G83-G95 WeakPolarHBondContact CA-O 3.48Å; G83-G95 WeakPolarHBondContact O-CA 3.34Å
84	S	91	Very high	88.6	Confident	56 Å²	56	76.9 Å²	76.9	39%	0.392	39%	0.392	S	S	.	.	H	α-helix	trans	-61.4	-45	178.1	-56.4	0	0	0	0	112.2	D80 K81 F82 F86 I87 S88	D80-S84 WeakPolarHBondContact O-CB 3.25Å; D80-S84 PolarHBondContact O-N 2.99Å; D80-S84 PolarHBondContact O-OG 3.07Å; K81-S84 PolarHBondContact O-N 3.16Å; F82-S84 PolarHBondContact O-N 3.39Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 3.09Å; S84-I87 PolarHBondContact O-N 3.12Å; S84-S88 PolarHBondContact O-N 2.86Å; S84-S88 PolarHBondContact O-OG 3.1Å
85	N	89	Confident	88.4	Confident	84 Å²	84	73.3 Å²	73.3	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-32.6	176	-72.3	5.5	0	0	0	112.4	K81 F82 G83 S88 R89	K81-N85 WeakPolarHBondContact O-CB 3.45Å; K81-N85 PolarHBondContact O-N 2.89Å; K81-N85 PolarHBondContact O-OD1 2.95Å; F82-N85 PolarHBondContact O-N 2.91Å; G83-N85 PolarHBondContact O-N 2.89Å; N85-S88 PolarHBondContact O-OG 3.29Å; N85-R89 WeakPolarHBondContact O-CG 3.12Å; N85-R89 PolarHBondContact O-N 3.48Å
86	F	87.1	Confident	88.1	Confident	45 Å²	45	69.7 Å²	69.7	20%	0.197	37%	0.365	C	S	.	.	H	α-helix	trans	-74.7	-35.6	177.7	-157.2	-78.7	0	0	0	111.8	F82 G83 S84 S88 R89 D90 N91 L94	F82-F86 HydrophobicContact CZ-CD2 4.17Å; F82-F86 WeakPolarHBondContact O-CB 3.25Å; F82-F86 PolarHBondContact O-N 2.86Å; G83-F86 PolarHBondContact O-N 3.29Å; S84-F86 VanDerWaalsContact C-N 3.27Å; S84-F86 PolarHBondContact O-N 3.09Å; F86-S88 VanDerWaalsContact C-N 3.27Å; F86-S88 PolarHBondContact O-N 3.14Å; F86-R89 PolarHBondContact O-N 3.21Å; F86-D90 HydrophobicContact CD1-CB 3.83Å; F86-D90 HydrophobicContact CD2-CB 4.4Å; F86-D90 HydrophobicContact CE1-CB 3.47Å; F86-D90 VanDerWaalsContact CE1-CB 3.47Å; F86-D90 HydrophobicContact CE2-CB 4.1Å; F86-D90 HydrophobicContact CG-CB 4.28Å; F86-D90 HydrophobicContact CZ-CB 3.62Å; F86-D90 PolarHBondContact O-N 3.32Å; F86-N91 WeakPolarHBondContact CD1-O 3.38Å; F86-N91 HydrophobicContact CE1-CB 4.14Å; F86-N91 WeakPolarHBondContact CE1-O 3.38Å; F86-L94 HydrophobicContact CD1-CB 3.92Å; F86-L94 HydrophobicContact CE1-CB 3.54Å; F86-L94 HydrophobicContact CE1-CD1 3.75Å; F86-L94 HydrophobicContact CE1-CG 4.22Å; F86-L94 HydrophobicContact CZ-CB 4.32Å; F86-L94 HydrophobicContact CZ-CD1 3.88Å
87	I	88.9	Confident	87.9	Confident	72 Å²	72	69.9 Å²	69.9	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-37.9	171.8	-65.9	170.1	0	0	0	111.2	G83 S84 P92 V99	G83-I87 WeakPolarHBondContact O-CG1 3.16Å; G83-I87 PolarHBondContact O-N 2.78Å; S84-I87 PolarHBondContact O-N 3.12Å; I87-P92 HydrophobicContact CG2-CB 4.46Å; I87-V99 HydrophobicContact CD1-CG2 4.24Å
88	S	77.7	Confident	87.8	Confident	90 Å²	90	67.8 Å²	67.8	63%	0.629	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.9	-175.6	56	0	0	0	0	115.6	S84 N85 F86	S84-S88 PolarHBondContact O-N 2.86Å; S84-S88 PolarHBondContact O-OG 3.1Å; N85-S88 PolarHBondContact O-OG 3.29Å; F86-S88 VanDerWaalsContact C-N 3.27Å; F86-S88 PolarHBondContact O-N 3.14Å
89	R	74.4	Confident	87.7	Confident	207 Å²	207	66.7 Å²	66.7	78%	0.781	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-34.5	-174	-61	-176.9	90.9	178.3	8.8	114.4	N85 F86	N85-R89 WeakPolarHBondContact O-CG 3.12Å; N85-R89 PolarHBondContact O-N 3.48Å; F86-R89 PolarHBondContact O-N 3.21Å
90	D	75.4	Confident	87.6	Confident	104 Å²	104	70.3 Å²	70.3	56%	0.556	36%	0.357	S	S	*	.	S	Bend	trans	-129.2	-137.2	-166.4	-66.1	-77.1	0	0	0	110.9	F86 P92	F86-D90 HydrophobicContact CD1-CB 3.83Å; F86-D90 HydrophobicContact CD2-CB 4.4Å; F86-D90 HydrophobicContact CE1-CB 3.47Å; F86-D90 VanDerWaalsContact CE1-CB 3.47Å; F86-D90 HydrophobicContact CE2-CB 4.1Å; F86-D90 HydrophobicContact CG-CB 4.28Å; F86-D90 HydrophobicContact CZ-CB 3.62Å; F86-D90 PolarHBondContact O-N 3.32Å; D90-P92 WeakPolarHBondContact O-CD 3.4Å
91	N	75.1	Confident	87.5	Confident	49 Å²	49	70.7 Å²	70.7	26%	0.262	36%	0.357	S	S	.	.			trans	-79.7	119.2	-179.3	178.7	-56.7	0	0	0	111.2	F86 D93 L94 G95	F86-N91 WeakPolarHBondContact CD1-O 3.38Å; F86-N91 HydrophobicContact CE1-CB 4.14Å; F86-N91 WeakPolarHBondContact CE1-O 3.38Å; N91-D93 VanDerWaalsContact C-N 3.34Å; N91-D93 PolarHBondContact O-N 2.91Å; N91-D93 WeakPolarHBondContact OD1-CB 3.19Å; N91-D93 PolarHBondContact OD1-N 3.23Å; N91-L94 HydrophobicContact CB-CB 4.46Å; N91-L94 HydrophobicContact CB-CD1 4.1Å; N91-L94 HydrophobicContact CB-CG 4.16Å; N91-L94 PolarHBondContact O-N 3.36Å; N91-L94 PolarHBondContact OD1-N 3.19Å; N91-G95 PolarHBondContact O-N 2.55Å
92	P	82.9	Confident	87.6	Confident	71 Å²	71	63.8 Å²	63.8	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-70.5	-24.8	-173.3	28	-35.7	0	0	0	114.1	I87 D90 T96	I87-P92 HydrophobicContact CG2-CB 4.46Å; D90-P92 WeakPolarHBondContact O-CD 3.4Å; P92-T96 VanDerWaalsContact O-CB 3.23Å; P92-T96 WeakPolarHBondContact O-CB 3.38Å; P92-T96 PolarHBondContact O-N 3.46Å; P92-T96 PolarHBondContact O-OG1 3.46Å
93	D	82.6	Confident	87.6	Confident	108 Å²	108	61.6 Å²	61.6	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-69.9	-40.5	176.8	-67.2	-54.3	0	0	0	111.3	N91 A97	N91-D93 VanDerWaalsContact C-N 3.34Å; N91-D93 PolarHBondContact O-N 2.91Å; N91-D93 WeakPolarHBondContact OD1-CB 3.19Å; N91-D93 PolarHBondContact OD1-N 3.23Å; D93-A97 PolarHBondContact O-N 2.65Å; D93-A97 VanDerWaalsContact O-N 3.11Å
94	L	86.6	Confident	87.5	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-49	174	-65.7	-176	0	0	0	111.3	F86 N91 T96 A97 F98 L252 I255	F86-L94 HydrophobicContact CD1-CB 3.92Å; F86-L94 HydrophobicContact CE1-CB 3.54Å; F86-L94 HydrophobicContact CE1-CD1 3.75Å; F86-L94 HydrophobicContact CE1-CG 4.22Å; F86-L94 HydrophobicContact CZ-CB 4.32Å; F86-L94 HydrophobicContact CZ-CD1 3.88Å; N91-L94 HydrophobicContact CB-CB 4.46Å; N91-L94 HydrophobicContact CB-CD1 4.1Å; N91-L94 HydrophobicContact CB-CG 4.16Å; N91-L94 PolarHBondContact O-N 3.36Å; N91-L94 PolarHBondContact OD1-N 3.19Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 2.89Å; L94-A97 VanDerWaalsContact O-CB 3.29Å; L94-A97 WeakPolarHBondContact O-CB 3.43Å; L94-A97 PolarHBondContact O-N 3.07Å; L94-F98 WeakPolarHBondContact O-CD2 3.49Å; L94-F98 PolarHBondContact O-N 3.25Å; L94-L252 HydrophobicContact CD2-CD2 3.34Å; L94-I255 HydrophobicContact CD1-CG2 4.43Å; L94-I255 HydrophobicContact CD2-CD1 3.77Å; L94-I255 HydrophobicContact CG-CD1 4.09Å
95	G	90.3	Very high	87.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-41.4	178.5	0	0	0	0	0	112.5	G83 N91 A97 F98 V99	G83-G95 WeakPolarHBondContact CA-O 3.48Å; G83-G95 WeakPolarHBondContact O-CA 3.34Å; N91-G95 PolarHBondContact O-N 2.55Å; G95-A97 PolarHBondContact O-N 3.39Å; G95-F98 PolarHBondContact O-N 2.85Å; G95-V99 PolarHBondContact O-N 3.09Å
96	T	91	Very high	87.9	Confident	53 Å²	53	60.6 Å²	60.6	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-32.2	173.4	-62.4	0	0	0	0	112.4	P92 L94 K100	P92-T96 VanDerWaalsContact O-CB 3.23Å; P92-T96 WeakPolarHBondContact O-CB 3.38Å; P92-T96 PolarHBondContact O-N 3.46Å; P92-T96 PolarHBondContact O-OG1 3.46Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 2.89Å; T96-K100 WeakPolarHBondContact O-CG 3.43Å; T96-K100 PolarHBondContact O-N 2.77Å; T96-K100 VanDerWaalsContact O-N 3.13Å
97	A	91.9	Very high	88.2	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-45.6	177.3	0	0	0	0	0	112.6	D93 L94 G95 V99 K100 F101 Y244 L248	D93-A97 PolarHBondContact O-N 2.65Å; D93-A97 VanDerWaalsContact O-N 3.11Å; L94-A97 VanDerWaalsContact O-CB 3.29Å; L94-A97 WeakPolarHBondContact O-CB 3.43Å; L94-A97 PolarHBondContact O-N 3.07Å; G95-A97 PolarHBondContact O-N 3.39Å; A97-V99 PolarHBondContact O-N 2.58Å; A97-K100 WeakPolarHBondContact O-CB 3.39Å; A97-K100 PolarHBondContact O-N 2.82Å; A97-K100 VanDerWaalsContact O-N 3.1Å; A97-F101 WeakPolarHBondContact O-CD2 3.38Å; A97-F101 PolarHBondContact O-N 2.93Å; A97-Y244 WeakPolarHBondContact CA-OH 3.28Å; A97-Y244 WeakPolarHBondContact CB-OH 3.36Å; A97-L248 HydrophobicContact CB-CD1 3.73Å; A97-L248 HydrophobicContact CB-CD2 3.82Å; A97-L248 HydrophobicContact CB-CG 4.45Å
98	F	94.1	Very high	88.4	Confident	67 Å²	67	60.8 Å²	60.8	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-41.7	177.3	-64.9	-65.5	0	0	0	112.1	L79 F82 L94 G95 K100 F101 S102	L79-F98 HydrophobicContact CD1-CB 4.36Å; L79-F98 HydrophobicContact CD1-CD1 3.81Å; L79-F98 HydrophobicContact CD1-CG 4.48Å; L79-F98 HydrophobicContact CG-CB 4.28Å; L79-F98 HydrophobicContact CG-CD1 4.48Å; F82-F98 HydrophobicContact CD1-CB 4.41Å; F82-F98 HydrophobicContact CD1-CD1 4.23Å; F82-F98 AromaticContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CE2 4.27Å; F82-F98 AromaticContact CD1-CG 3.93Å; F82-F98 HydrophobicContact CD1-CG 3.93Å; F82-F98 HydrophobicContact CE1-CD1 4.31Å; F82-F98 AromaticContact CE1-CD2 3.77Å; F82-F98 HydrophobicContact CE1-CD2 3.77Å; F82-F98 HydrophobicContact CE1-CE1 4.17Å; F82-F98 AromaticContact CE1-CE2 3.63Å; F82-F98 HydrophobicContact CE1-CE2 3.63Å; F82-F98 HydrophobicContact CE1-CG 4.13Å; F82-F98 AromaticContact CE1-CZ 3.84Å; F82-F98 HydrophobicContact CE1-CZ 3.84Å; L94-F98 WeakPolarHBondContact O-CD2 3.49Å; L94-F98 PolarHBondContact O-N 3.25Å; G95-F98 PolarHBondContact O-N 2.85Å; F98-K100 VanDerWaalsContact C-N 3.29Å; F98-K100 PolarHBondContact O-N 3.11Å; F98-F101 PolarHBondContact O-N 3.01Å; F98-S102 PolarHBondContact O-N 3.49Å
99	V	94.1	Very high	89.2	Confident	41 Å²	41	56.5 Å²	56.5	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-36.8	173.2	177.8	0	0	0	0	111.9	I87 G95 A97 S102 S103	I87-V99 HydrophobicContact CD1-CG2 4.24Å; G95-V99 PolarHBondContact O-N 3.09Å; A97-V99 PolarHBondContact O-N 2.58Å; V99-S102 WeakPolarHBondContact O-CB 3.47Å; V99-S102 PolarHBondContact O-N 3.23Å; V99-S103 PolarHBondContact O-N 2.72Å
100	K	92	Very high	90.2	Very high	100 Å²	100	48.7 Å²	48.7	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-68.9	-40.5	175.8	-79.2	179.3	175.1	178.9	0	113.5	T96 A97 F98 S102 S103 L104 Y244	T96-K100 WeakPolarHBondContact O-CG 3.43Å; T96-K100 PolarHBondContact O-N 2.77Å; T96-K100 VanDerWaalsContact O-N 3.13Å; A97-K100 WeakPolarHBondContact O-CB 3.39Å; A97-K100 PolarHBondContact O-N 2.82Å; A97-K100 VanDerWaalsContact O-N 3.1Å; F98-K100 VanDerWaalsContact C-N 3.29Å; F98-K100 PolarHBondContact O-N 3.11Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-S103 PolarHBondContact O-N 2.74Å; K100-L104 WeakPolarHBondContact O-CG 3.42Å; K100-L104 PolarHBondContact O-N 3.37Å; K100-Y244 HydrophobicContact CB-CD1 4.34Å; K100-Y244 HydrophobicContact CB-CE1 3.79Å; K100-Y244 HydrophobicContact CD-CD1 4.48Å; K100-Y244 HydrophobicContact CD-CD2 4.33Å; K100-Y244 HydrophobicContact CD-CE1 3.94Å; K100-Y244 HydrophobicContact CD-CE2 3.81Å
101	F	93.8	Very high	91.2	Very high	56 Å²	56	45.5 Å²	45.5	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-40.1	172.4	-75.6	-73.4	0	0	0	111.8	L79 A97 F98 L104 T105 L241 I245 L248	L79-F101 HydrophobicContact CD2-CB 3.58Å; A97-F101 WeakPolarHBondContact O-CD2 3.38Å; A97-F101 PolarHBondContact O-N 2.93Å; F98-F101 PolarHBondContact O-N 3.01Å; F101-L104 PolarHBondContact O-N 2.72Å; F101-T105 WeakPolarHBondContact O-CB 3.46Å; F101-T105 PolarHBondContact O-N 3.13Å; F101-T105 PolarHBondContact O-OG1 3.03Å; F101-L241 HydrophobicContact CD1-CD1 3.84Å; F101-L241 HydrophobicContact CE1-CD1 3.72Å; F101-I245 HydrophobicContact CE1-CD1 4.28Å; F101-I245 HydrophobicContact CE1-CG1 4.04Å; F101-I245 HydrophobicContact CZ-CG1 4.13Å; F101-L248 HydrophobicContact CE2-CD2 3.51Å; F101-L248 HydrophobicContact CZ-CD2 3.88Å
102	S	95.5	Very high	92.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.3	-53.9	171.3	148.2	0	0	0	0	111.4	A76 D80 F98 V99 K100 L104 T105 K106	A76-S102 VanDerWaalsContact O-CB 3.31Å; A76-S102 WeakPolarHBondContact O-CB 3.4Å; A76-S102 PolarHBondContact O-OG 2.64Å; D80-S102 WeakPolarHBondContact CB-OG 3.3Å; D80-S102 WeakPolarHBondContact OD1-CB 3.42Å; D80-S102 PolarHBondContact OD1-OG 3.27Å; F98-S102 PolarHBondContact O-N 3.49Å; V99-S102 WeakPolarHBondContact O-CB 3.47Å; V99-S102 PolarHBondContact O-N 3.23Å; K100-S102 VanDerWaalsContact C-N 3.34Å; S102-L104 PolarHBondContact O-N 3.17Å; S102-T105 PolarHBondContact O-N 3.27Å; S102-K106 WeakPolarHBondContact O-CG 3.3Å; S102-K106 PolarHBondContact O-N 3.22Å; S102-K106 VanDerWaalsContact OG-CE 3.29Å; S102-K106 WeakPolarHBondContact OG-CE 3.49Å; S102-K106 PolarHBondContact OG-NZ 2.88Å
103	S	93.6	Very high	92.8	Very high	60 Å²	60	44.2 Å²	44.2	42%	0.42	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-44.2	-179.2	-169	0	0	0	0	112.7	V99 K100 T105 K106 E107	V99-S103 PolarHBondContact O-N 2.72Å; K100-S103 PolarHBondContact O-N 2.74Å; S103-T105 PolarHBondContact O-N 2.93Å; S103-K106 WeakPolarHBondContact O-CB 3.46Å; S103-K106 PolarHBondContact O-N 3.47Å; S103-E107 PolarHBondContact O-N 3.43Å
104	L	91.1	Very high	93.5	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-31.1	179.7	-69.3	164.8	0	0	0	112.7	K100 F101 S102 E107 L108 T237 K240 L241	K100-L104 WeakPolarHBondContact O-CG 3.42Å; K100-L104 PolarHBondContact O-N 3.37Å; F101-L104 PolarHBondContact O-N 2.72Å; S102-L104 PolarHBondContact O-N 3.17Å; L104-E107 PolarHBondContact O-N 3.46Å; L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 2.68Å; L104-T237 HydrophobicContact CD2-CG2 4.12Å; L104-K240 HydrophobicContact CD2-CB 4.49Å; L104-K240 HydrophobicContact CD2-CD 4.33Å; L104-L241 HydrophobicContact CD1-CB 4.08Å; L104-L241 HydrophobicContact CD1-CD1 3.62Å; L104-L241 HydrophobicContact CD1-CG 4.42Å
105	T	92.9	Very high	94	Very high	26 Å²	26	43 Å²	43	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-70	-40.1	172.3	-51.5	0	0	0	0	111.2	E72 Y75 A76 F101 S102 S103 E107 L108 S109	E72-T105 HydrophobicContact CB-CG2 4.34Å; Y75-T105 HydrophobicContact CD1-CG2 4.04Å; Y75-T105 HydrophobicContact CE1-CG2 4.22Å; A76-T105 HydrophobicContact CB-CG2 4.2Å; F101-T105 WeakPolarHBondContact O-CB 3.46Å; F101-T105 PolarHBondContact O-N 3.13Å; F101-T105 PolarHBondContact O-OG1 3.03Å; S102-T105 PolarHBondContact O-N 3.27Å; S103-T105 PolarHBondContact O-N 2.93Å; T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.36Å; T105-L108 PolarHBondContact O-N 3.44Å; T105-S109 WeakPolarHBondContact O-CB 3.33Å; T105-S109 PolarHBondContact O-N 2.98Å
106	K	94.3	Very high	94.4	Very high	72 Å²	72	43.4 Å²	43.4	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-40.3	172.8	-68.6	160.8	-178.1	168.6	0	112	A76 D80 S102 S103 A110	A76-K106 HydrophobicContact CB-CD 4.43Å; A76-K106 HydrophobicContact CB-CG 3.75Å; D80-K106 IonicContact OD1-NZ 2.7Å; D80-K106 PolarHBondContact OD1-NZ 2.9Å; D80-K106 VanDerWaalsContact OD1-NZ 3.13Å; D80-K106 IonicContact OD2-NZ 3.63Å; D80-K106 PolarHBondContact OD2-NZ 2.86Å; S102-K106 WeakPolarHBondContact O-CG 3.3Å; S102-K106 PolarHBondContact O-N 3.22Å; S102-K106 VanDerWaalsContact OG-CE 3.29Å; S102-K106 WeakPolarHBondContact OG-CE 3.49Å; S102-K106 PolarHBondContact OG-NZ 2.88Å; S103-K106 WeakPolarHBondContact O-CB 3.46Å; S103-K106 PolarHBondContact O-N 3.47Å; K106-A110 WeakPolarHBondContact O-CB 3.34Å; K106-A110 PolarHBondContact O-N 2.85Å
107	E	93.8	Very high	94.6	Very high	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-48.5	173.5	-77.7	-169.5	-150.5	0	0	112.1	S103 L104 T105 L111 T237 K240	S103-E107 PolarHBondContact O-N 3.43Å; L104-E107 PolarHBondContact O-N 3.46Å; T105-E107 VanDerWaalsContact C-N 3.34Å; T105-E107 PolarHBondContact O-N 3.36Å; E107-L111 WeakPolarHBondContact O-CG 3.23Å; E107-L111 PolarHBondContact O-N 2.67Å; E107-T237 HydrophobicContact CB-CG2 3.93Å; E107-T237 WeakPolarHBondContact OE2-CG2 3.33Å; E107-T237 PolarHBondContact OE2-OG1 3.17Å; E107-K240 VanDerWaalsContact CD-NZ 3.32Å; E107-K240 IonicContact OE1-NZ 2.74Å; E107-K240 PolarHBondContact OE1-NZ 3.27Å; E107-K240 IonicContact OE2-NZ 3.22Å; E107-K240 PolarHBondContact OE2-NZ 3.18Å
108	L	92.9	Very high	94.8	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-43.5	-179.3	-69.2	173.1	0	0	0	112.2	L104 T105 A110 L111 L112 T237	L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 2.68Å; T105-L108 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 2.75Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 2.88Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L108-L112 PolarHBondContact O-N 2.89Å; L108-L112 VanDerWaalsContact O-N 3.12Å; L108-T237 HydrophobicContact CD2-CG2 3.8Å; L108-T237 HydrophobicContact CG-CG2 3.93Å
109	S	95.3	Very high	95	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-38.9	179.5	-154.7	0	0	0	0	112.2	V69 E72 T105 L111 L112 K113	V69-S109 PolarHBondContact O-OG 2.86Å; E72-S109 WeakPolarHBondContact CB-OG 3.45Å; E72-S109 VanDerWaalsContact OE2-CA 3.3Å; E72-S109 WeakPolarHBondContact OE2-CA 3.46Å; E72-S109 WeakPolarHBondContact OE2-CB 3.43Å; E72-S109 PolarHBondContact OE2-OG 3.48Å; T105-S109 WeakPolarHBondContact O-CB 3.33Å; T105-S109 PolarHBondContact O-N 2.98Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 3.43Å; S109-L112 PolarHBondContact O-N 3.12Å; S109-L112 VanDerWaalsContact O-N 3.16Å; S109-K113 WeakPolarHBondContact O-CB 3.12Å; S109-K113 PolarHBondContact O-N 3.32Å
110	A	95.8	Very high	95.1	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-37.5	174	0	0	0	0	0	112.8	K106 L108 K113 N114	K106-A110 WeakPolarHBondContact O-CB 3.34Å; K106-A110 PolarHBondContact O-N 2.85Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-A110 PolarHBondContact O-N 2.75Å; A110-K113 PolarHBondContact O-N 3.28Å; A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.69Å; A110-N114 VanDerWaalsContact O-N 3.13Å; A110-N114 PolarHBondContact O-ND2 3.06Å
111	L	96.1	Very high	95.2	Very high	37 Å²	37	45 Å²	45	19%	0.194	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-41.5	173.7	-66.9	172.5	0	0	0	111.5	E107 L108 S109 N114 L115 F230 D233	E107-L111 WeakPolarHBondContact O-CG 3.23Å; E107-L111 PolarHBondContact O-N 2.67Å; L108-L111 WeakPolarHBondContact O-CB 3.43Å; L108-L111 PolarHBondContact O-N 2.88Å; L108-L111 VanDerWaalsContact O-N 3.14Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 3.43Å; L111-N114 PolarHBondContact O-N 2.81Å; L111-L115 PolarHBondContact O-N 3.3Å; L111-L115 VanDerWaalsContact O-N 3.14Å; L111-F230 HydrophobicContact CB-CD2 3.86Å; L111-F230 HydrophobicContact CB-CE2 4.06Å; L111-F230 WeakPolarHBondContact O-CD2 3.44Å; L111-D233 HydrophobicContact CD1-CB 4.04Å; L111-D233 HydrophobicContact CD2-CB 3.97Å
112	L	96.1	Very high	95.3	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-42.4	176.7	179.5	58.7	0	0	0	111.7	V69 L108 S109 N114 L115 L116 F230	V69-L112 HydrophobicContact CG2-CB 4Å; V69-L112 HydrophobicContact CG2-CD2 3.69Å; V69-L112 HydrophobicContact CG2-CG 3.66Å; L108-L112 PolarHBondContact O-N 2.89Å; L108-L112 VanDerWaalsContact O-N 3.12Å; S109-L112 PolarHBondContact O-N 3.12Å; S109-L112 VanDerWaalsContact O-N 3.16Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 2.82Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 2.74Å; L112-L116 HydrophobicContact CD1-CD1 4.27Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.98Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 3.23Å; L112-F230 HydrophobicContact CB-CE2 3.85Å; L112-F230 HydrophobicContact CB-CZ 4.4Å; L112-F230 HydrophobicContact CD1-CE2 4.29Å; L112-F230 HydrophobicContact CD1-CZ 4.24Å
113	K	96.1	Very high	95.2	Very high	63 Å²	63	43.4 Å²	43.4	27%	0.274	23%	0.231	S	C	.	.	H	α-helix	trans	-54.6	-42.7	174.9	-154.8	166.6	-157.7	165.1	0	111.4	V69 E73 S109 A110 L116 Q117	V69-K113 HydrophobicContact CG1-CB 4.1Å; V69-K113 HydrophobicContact CG1-CD 3.79Å; V69-K113 HydrophobicContact CG1-CG 3.96Å; V69-K113 HydrophobicContact CG2-CB 4.38Å; E73-K113 IonicContact OE1-NZ 2.74Å; E73-K113 PolarHBondContact OE1-NZ 3.16Å; E73-K113 IonicContact OE2-NZ 2.74Å; E73-K113 PolarHBondContact OE2-NZ 3.03Å; S109-K113 WeakPolarHBondContact O-CB 3.12Å; S109-K113 PolarHBondContact O-N 3.32Å; A110-K113 PolarHBondContact O-N 3.28Å; K113-L116 PolarHBondContact O-N 3.38Å; K113-Q117 WeakPolarHBondContact O-CG 3.09Å; K113-Q117 PolarHBondContact O-N 2.86Å
114	N	96.3	Very high	95.4	Very high	95 Å²	95	41.1 Å²	41.1	51%	0.508	21%	0.214	S	C	.	.	H	α-helix	trans	-66.7	-39.4	175.1	-68.3	-28.3	0	0	0	113	A110 L111 L112 Q117 S118	A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.69Å; A110-N114 VanDerWaalsContact O-N 3.13Å; A110-N114 PolarHBondContact O-ND2 3.06Å; L111-N114 PolarHBondContact O-N 2.81Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 2.82Å; N114-Q117 PolarHBondContact O-N 3.07Å; N114-S118 PolarHBondContact O-N 3.41Å
115	L	97.6	Very high	95.6	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-39.7	174.9	179.4	59.6	0	0	0	112.1	L111 L112 S118 L119 Y223 A226 Q227 F230	L111-L115 PolarHBondContact O-N 3.3Å; L111-L115 VanDerWaalsContact O-N 3.14Å; L112-L115 WeakPolarHBondContact O-CB 3.47Å; L112-L115 PolarHBondContact O-N 2.74Å; L115-S118 WeakPolarHBondContact O-CB 3.1Å; L115-S118 PolarHBondContact O-N 3.4Å; L115-L119 PolarHBondContact O-N 3.27Å; L115-Y223 HydrophobicContact CD1-CD2 4.25Å; L115-Y223 HydrophobicContact CD1-CE2 3.55Å; L115-Y223 HydrophobicContact CG-CE2 4.23Å; L115-A226 HydrophobicContact CD1-CB 4.28Å; L115-Q227 HydrophobicContact CD1-CB 3.93Å; L115-Q227 HydrophobicContact CD1-CG 4.38Å; L115-Q227 HydrophobicContact CD2-CG 4.24Å; L115-F230 HydrophobicContact CB-CB 4.28Å; L115-F230 HydrophobicContact CB-CD2 4.29Å; L115-F230 HydrophobicContact CB-CG 4.28Å; L115-F230 HydrophobicContact CD2-CB 4Å; L115-F230 HydrophobicContact CD2-CD1 3.67Å; L115-F230 HydrophobicContact CD2-CD2 4.29Å; L115-F230 HydrophobicContact CD2-CE1 4.23Å; L115-F230 HydrophobicContact CD2-CG 3.7Å; L115-F230 HydrophobicContact CG-CB 4.5Å
116	L	97.5	Very high	95.6	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.236	C	C	.	.	H	α-helix	trans	-69.6	-37.8	178.3	-66.6	165.8	0	0	0	112.2	Y62 G65 V69 L112 K113 S118 L119 S120	Y62-L116 HydrophobicContact CD2-CB 4.11Å; Y62-L116 WeakPolarHBondContact CD2-O 3.25Å; Y62-L116 HydrophobicContact CE2-CB 4.15Å; Y62-L116 WeakPolarHBondContact CE2-O 3.31Å; G65-L116 WeakPolarHBondContact O-CD1 3.39Å; V69-L116 HydrophobicContact CG2-CD1 3.82Å; L112-L116 HydrophobicContact CD1-CD1 4.27Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.98Å; L112-L116 HydrophobicContact CG-CG 4.45Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 3.23Å; K113-L116 PolarHBondContact O-N 3.38Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 3.48Å; L116-L119 WeakPolarHBondContact O-CB 3.32Å; L116-L119 PolarHBondContact O-N 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.21Å; L116-S120 PolarHBondContact O-N 2.78Å
117	Q	96.2	Very high	95.7	Very high	109 Å²	109	43.1 Å²	43.1	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-42.5	168.9	-71.7	176.7	25.3	0	0	111.5	K113 N114 S120 H121	K113-Q117 WeakPolarHBondContact O-CG 3.09Å; K113-Q117 PolarHBondContact O-N 2.86Å; N114-Q117 PolarHBondContact O-N 3.07Å; Q117-S120 PolarHBondContact O-N 3.16Å; Q117-H121 WeakPolarHBondContact O-CB 3.45Å; Q117-H121 PolarHBondContact O-N 2.79Å
118	S	96.3	Very high	95.7	Very high	19 Å²	19	40.9 Å²	40.9	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-40.8	174.7	-176.4	0	0	0	0	112.8	N114 L115 L116 S120 N122 A226	N114-S118 PolarHBondContact O-N 3.41Å; L115-S118 WeakPolarHBondContact O-CB 3.1Å; L115-S118 PolarHBondContact O-N 3.4Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 3.48Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-N122 VanDerWaalsContact O-CB 3.27Å; S118-N122 WeakPolarHBondContact O-CB 3.32Å; S118-N122 PolarHBondContact O-N 3.02Å; S118-N122 PolarHBondContact O-ND2 3.23Å; S118-N122 PolarHBondContact OG-ND2 3.07Å; S118-A226 VanDerWaalsContact OG-CB 3.23Å; S118-A226 WeakPolarHBondContact OG-CB 3.01Å
119	L	96.8	Very high	95.8	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.219	C	C	.	.	I	π-helix	trans	-61.6	-43.4	174	-174.1	63	0	0	0	111.6	V58 I61 L115 L116 V123 I124 Y223	V58-L119 HydrophobicContact CG1-CD1 3.72Å; V58-L119 HydrophobicContact CG1-CD2 4.18Å; V58-L119 HydrophobicContact CG1-CG 3.84Å; I61-L119 HydrophobicContact CB-CD2 4.36Å; I61-L119 HydrophobicContact CG2-CD2 3.8Å; L115-L119 PolarHBondContact O-N 3.27Å; L116-L119 WeakPolarHBondContact O-CB 3.32Å; L116-L119 PolarHBondContact O-N 3.23Å; L119-V123 HydrophobicContact CD1-CB 4.06Å; L119-V123 HydrophobicContact CD1-CG2 3.94Å; L119-V123 WeakPolarHBondContact O-CA 3.47Å; L119-V123 WeakPolarHBondContact O-CB 3.39Å; L119-V123 PolarHBondContact O-N 3.31Å; L119-I124 PolarHBondContact O-N 2.91Å; L119-Y223 HydrophobicContact CB-CD2 3.98Å; L119-Y223 HydrophobicContact CB-CE2 3.69Å; L119-Y223 HydrophobicContact CD1-CD1 4.26Å; L119-Y223 HydrophobicContact CD1-CD2 3.88Å; L119-Y223 HydrophobicContact CD1-CE1 4.04Å; L119-Y223 HydrophobicContact CD1-CE2 3.64Å; L119-Y223 HydrophobicContact CD1-CG 4.19Å; L119-Y223 HydrophobicContact CG-CE2 4.2Å
120	S	96.4	Very high	95.6	Very high	37 Å²	37	41.5 Å²	41.5	26%	0.259	22%	0.22	S	C	.	.	I	π-helix	trans	-65.4	-51.1	179.3	-168.7	0	0	0	0	112.2	L116 Q117 S118 I124 F125	L116-S120 WeakPolarHBondContact O-CB 3.21Å; L116-S120 PolarHBondContact O-N 2.78Å; Q117-S120 PolarHBondContact O-N 3.16Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S120-I124 WeakPolarHBondContact O-CB 3.28Å; S120-I124 PolarHBondContact O-N 3.19Å; S120-F125 PolarHBondContact O-N 3.22Å
121	H	94.8	Very high	95.5	Very high	128 Å²	128	39.7 Å²	39.7	59%	0.593	20%	0.204	S	C	*	.	I	π-helix	trans	-71.8	-45.3	-177.3	-173.4	78.2	0	0	0	113	Q117 F125	Q117-H121 WeakPolarHBondContact O-CB 3.45Å; Q117-H121 PolarHBondContact O-N 2.79Å; H121-F125 WeakPolarHBondContact O-CB 3.5Å
122	N	95	Very high	95.3	Very high	18 Å²	18	44.3 Å²	44.3	10%	0.096	22%	0.223	C	C	.	.	I	π-helix	trans	-81.8	-39.5	-176.3	-64.4	-75.6	0	0	0	112.9	S118 T126 N219 K222	S118-N122 VanDerWaalsContact O-CB 3.27Å; S118-N122 WeakPolarHBondContact O-CB 3.32Å; S118-N122 PolarHBondContact O-N 3.02Å; S118-N122 PolarHBondContact O-ND2 3.23Å; S118-N122 PolarHBondContact OG-ND2 3.07Å; N122-T126 VanDerWaalsContact O-CB 3.3Å; N122-T126 WeakPolarHBondContact O-CB 3.34Å; N122-T126 PolarHBondContact O-OG1 3.3Å; N122-N219 HydrophobicContact CB-CB 4.44Å; N122-N219 WeakPolarHBondContact O-CB 3.15Å; N122-K222 WeakPolarHBondContact OD1-CB 3.26Å; N122-K222 WeakPolarHBondContact OD1-CD 3.5Å
123	V	95.4	Very high	94.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.236	C	C	.	.	I	π-helix	trans	-103.7	-52.7	-171.5	-168.4	0	0	0	0	111.8	V58 L119 L127 L220 Y223	V58-V123 HydrophobicContact CG1-CB 4.29Å; V58-V123 HydrophobicContact CG1-CG1 4.02Å; V58-V123 HydrophobicContact CG2-CG1 4.15Å; L119-V123 HydrophobicContact CD1-CB 4.06Å; L119-V123 HydrophobicContact CD1-CG2 3.94Å; L119-V123 WeakPolarHBondContact O-CA 3.47Å; L119-V123 WeakPolarHBondContact O-CB 3.39Å; L119-V123 PolarHBondContact O-N 3.31Å; V123-L127 HydrophobicContact CG1-CD1 3.89Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.26Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-L220 HydrophobicContact CG1-CD2 4.08Å; V123-L220 HydrophobicContact CG2-CD2 4.01Å; V123-Y223 HydrophobicContact CG2-CD1 4.38Å; V123-Y223 HydrophobicContact CG2-CG 3.98Å
124	I	96.4	Very high	94.5	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.067	23%	0.231	C	C	.	.	I	π-helix	trans	-66.2	-49.5	-175.7	-63.4	175.8	0	0	0	111.4	V58 K59 Y62 L119 S120 L127 D128	V58-I124 HydrophobicContact CB-CG1 4.47Å; V58-I124 HydrophobicContact CG1-CD1 4.06Å; V58-I124 HydrophobicContact CG1-CG1 3.51Å; K59-I124 HydrophobicContact CD-CG2 4.4Å; K59-I124 HydrophobicContact CG-CD1 4.07Å; K59-I124 HydrophobicContact CG-CG1 4.36Å; K59-I124 HydrophobicContact CG-CG2 4.14Å; Y62-I124 HydrophobicContact CD1-CD1 4.2Å; Y62-I124 HydrophobicContact CD2-CD1 4.41Å; Y62-I124 HydrophobicContact CG-CD1 3.79Å; L119-I124 PolarHBondContact O-N 2.91Å; S120-I124 WeakPolarHBondContact O-CB 3.28Å; S120-I124 PolarHBondContact O-N 3.19Å; I124-L127 PolarHBondContact O-N 2.89Å; I124-D128 WeakPolarHBondContact O-CB 3.39Å; I124-D128 PolarHBondContact O-N 3.49Å
125	F	95.6	Very high	94.2	Very high	137 Å²	137	38.8 Å²	38.8	60%	0.601	21%	0.206	S	C	*	.	H	α-helix	trans	-62	-44.4	-179.5	179.6	-96.5	0	0	0	112.1	S120 H121 L127 D128 S129	S120-F125 PolarHBondContact O-N 3.22Å; H121-F125 WeakPolarHBondContact O-CB 3.5Å; F125-L127 PolarHBondContact O-N 3.23Å; F125-D128 PolarHBondContact O-N 3.15Å; F125-S129 VanDerWaalsContact O-CB 3.27Å; F125-S129 WeakPolarHBondContact O-CB 3.38Å; F125-S129 PolarHBondContact O-N 3.4Å
126	T	93.6	Very high	93.5	Very high	22 Å²	22	45.4 Å²	45.4	14%	0.135	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-45.7	175.9	-55.8	0	0	0	0	111.7	N122 S129 L130 L216	N122-T126 VanDerWaalsContact O-CB 3.3Å; N122-T126 WeakPolarHBondContact O-CB 3.34Å; N122-T126 PolarHBondContact O-OG1 3.3Å; T126-S129 PolarHBondContact O-N 2.9Å; T126-L130 WeakPolarHBondContact O-CB 3.23Å; T126-L130 PolarHBondContact O-N 3.03Å; T126-L216 HydrophobicContact CG2-CD1 4.08Å
127	L	95.5	Very high	92.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-41.7	176.2	-71.3	172.1	0	0	0	112.4	L51 V54 K55 V123 I124 F125 L131 L216	L51-L127 HydrophobicContact CD2-CD2 3.82Å; V54-L127 HydrophobicContact CG1-CD1 3.98Å; K55-L127 HydrophobicContact CB-CB 4.18Å; K55-L127 HydrophobicContact CB-CD1 4.07Å; K55-L127 HydrophobicContact CD-CB 4.38Å; K55-L127 HydrophobicContact CG-CB 4.32Å; V123-L127 HydrophobicContact CG1-CD1 3.89Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.26Å; V123-L127 PolarHBondContact O-N 3.37Å; I124-L127 PolarHBondContact O-N 2.89Å; F125-L127 PolarHBondContact O-N 3.23Å; L127-L131 HydrophobicContact CB-CD1 4.49Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 VanDerWaalsContact O-CG 3.22Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.86Å; L127-L216 HydrophobicContact CD2-CD1 3.85Å; L127-L216 HydrophobicContact CD2-CD2 4.13Å; L127-L216 HydrophobicContact CG-CD1 4.2Å
128	D	94.6	Very high	91.1	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-38.7	176.6	-111.8	-52.6	0	0	0	111.7	K55 K59 I124 F125 K132	K55-D128 VanDerWaalsContact CE-CG 3.47Å; K55-D128 WeakPolarHBondContact CE-OD1 3.41Å; K55-D128 WeakPolarHBondContact CE-OD2 3.43Å; K55-D128 IonicContact NZ-OD1 3.73Å; K55-D128 PolarHBondContact NZ-OD1 2.9Å; K55-D128 IonicContact NZ-OD2 2.74Å; K59-D128 VanDerWaalsContact CE-OD2 3.23Å; K59-D128 WeakPolarHBondContact CE-OD2 3.4Å; K59-D128 IonicContact NZ-OD2 3.67Å; K59-D128 PolarHBondContact NZ-OD2 2.94Å; I124-D128 WeakPolarHBondContact O-CB 3.39Å; I124-D128 PolarHBondContact O-N 3.49Å; F125-D128 PolarHBondContact O-N 3.15Å; D128-K132 WeakPolarHBondContact O-CB 3.32Å; D128-K132 WeakPolarHBondContact O-CG 3.32Å; D128-K132 PolarHBondContact O-N 2.69Å; D128-K132 VanDerWaalsContact OD1-CD 3.3Å; D128-K132 WeakPolarHBondContact OD1-CD 3.23Å; D128-K132 WeakPolarHBondContact OD1-CE 3.08Å; D128-K132 IonicContact OD1-NZ 3.62Å; D128-K132 PolarHBondContact OD1-NZ 2.97Å; D128-K132 IonicContact OD2-NZ 3.88Å
129	S	93.4	Very high	89.6	Confident	62 Å²	62	47 Å²	47	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-53.6	174.4	-175.4	0	0	0	0	111.4	F125 T126 L131 K132 G133	F125-S129 VanDerWaalsContact O-CB 3.27Å; F125-S129 WeakPolarHBondContact O-CB 3.38Å; F125-S129 PolarHBondContact O-N 3.4Å; T126-S129 PolarHBondContact O-N 2.9Å; S129-L131 VanDerWaalsContact C-N 3.31Å; S129-L131 PolarHBondContact O-N 3.15Å; S129-K132 PolarHBondContact O-N 2.87Å; S129-G133 VanDerWaalsContact O-CA 3.31Å; S129-G133 WeakPolarHBondContact O-CA 3.38Å; S129-G133 PolarHBondContact O-N 3.23Å
130	L	92.6	Very high	88.2	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-39	178.2	178.8	59.1	0	0	0	112.4	L51 T126 D134 L135 K211 K212	L51-L130 HydrophobicContact CD1-CD2 3.89Å; T126-L130 WeakPolarHBondContact O-CB 3.23Å; T126-L130 PolarHBondContact O-N 3.03Å; L130-D134 HydrophobicContact CD1-CB 4.49Å; L130-L135 HydrophobicContact CD1-CD1 4.2Å; L130-L135 HydrophobicContact CD1-CG 4.19Å; L130-L135 HydrophobicContact CG-CD1 3.94Å; L130-L135 HydrophobicContact CG-CG 4.39Å; L130-L135 WeakPolarHBondContact O-CB 3.32Å; L130-L135 PolarHBondContact O-N 2.81Å; L130-K211 HydrophobicContact CD1-CB 3.98Å; L130-K212 HydrophobicContact CD2-CB 3.85Å
131	L	93.6	Very high	87.4	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-84.5	-21.9	-176	-71.3	165.8	0	0	0	115.2	R48 L51 Q52 K55 L127 S129 L135	R48-L131 HydrophobicContact CG-CD2 4.23Å; L51-L131 HydrophobicContact CB-CD1 4.17Å; L51-L131 HydrophobicContact CB-CD2 3.92Å; L51-L131 HydrophobicContact CB-CG 4.35Å; Q52-L131 HydrophobicContact CG-CD1 4.15Å; Q52-L131 HydrophobicContact CG-CD2 3.94Å; K55-L131 HydrophobicContact CB-CD1 4.13Å; K55-L131 HydrophobicContact CD-CD1 3.63Å; L127-L131 HydrophobicContact CB-CD1 4.49Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 WeakPolarHBondContact O-CD1 3.29Å; L127-L131 VanDerWaalsContact O-CG 3.22Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 2.86Å; S129-L131 VanDerWaalsContact C-N 3.31Å; S129-L131 PolarHBondContact O-N 3.15Å; L131-L135 HydrophobicContact CD2-CD1 3.96Å
132	K	91.3	Very high	86.9	Confident	134 Å²	134	47.5 Å²	47.5	58%	0.583	25%	0.253	S	S	*	.	H	α-helix	trans	-105.2	-22.3	176.9	-69.7	168.7	165.4	156.9	0	113.7	D128 S129 K136	D128-K132 WeakPolarHBondContact O-CB 3.32Å; D128-K132 WeakPolarHBondContact O-CG 3.32Å; D128-K132 PolarHBondContact O-N 2.69Å; D128-K132 VanDerWaalsContact OD1-CD 3.3Å; D128-K132 WeakPolarHBondContact OD1-CD 3.23Å; D128-K132 WeakPolarHBondContact OD1-CE 3.08Å; D128-K132 IonicContact OD1-NZ 3.62Å; D128-K132 PolarHBondContact OD1-NZ 2.97Å; D128-K132 IonicContact OD2-NZ 3.88Å; S129-K132 PolarHBondContact O-N 2.87Å; K132-K136 WeakPolarHBondContact O-CB 3.26Å; K132-K136 WeakPolarHBondContact O-CD 3.41Å
133	G	87.5	Confident	86.7	Confident	42 Å²	42	47.6 Å²	47.6	43%	0.433	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-104.3	169.9	0	0	0	0	0	110	S129 L135 K136	S129-G133 VanDerWaalsContact O-CA 3.31Å; S129-G133 WeakPolarHBondContact O-CA 3.38Å; S129-G133 PolarHBondContact O-N 3.23Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 3.08Å; G133-K136 VanDerWaalsContact O-CB 3.27Å; G133-K136 WeakPolarHBondContact O-CB 3.45Å; G133-K136 PolarHBondContact O-N 3.46Å
134	D	87.9	Confident	86.5	Confident	30 Å²	30	54.3 Å²	54.3	16%	0.16	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.5	-164.3	-55.9	-91.2	0	0	0	116	L130 K204 I208 K211	L130-D134 HydrophobicContact CD1-CB 4.49Å; D134-K204 IonicContact OD1-NZ 3.59Å; D134-K204 PolarHBondContact OD1-NZ 2.81Å; D134-I208 HydrophobicContact CB-CG1 3.87Å; D134-K211 HydrophobicContact CB-CD 4.47Å; D134-K211 IonicContact OD1-NZ 2.7Å; D134-K211 PolarHBondContact OD1-NZ 3.08Å; D134-K211 VanDerWaalsContact OD2-CD 3.31Å; D134-K211 WeakPolarHBondContact OD2-CD 3.47Å; D134-K211 IonicContact OD2-NZ 2.94Å; D134-K211 PolarHBondContact OD2-NZ 2.7Å
135	L	89.3	Confident	86.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	3.1	173.2	-64.3	174.2	0	0	0	113.8	L44 R48 L51 L130 L131 G133 V138 I208	L44-L135 HydrophobicContact CD2-CD2 4.08Å; R48-L135 HydrophobicContact CB-CD1 4.45Å; R48-L135 PolarHBondContact NH1-O 3.04Å; L51-L135 HydrophobicContact CD1-CD1 3.83Å; L130-L135 HydrophobicContact CD1-CD1 4.2Å; L130-L135 HydrophobicContact CD1-CG 4.19Å; L130-L135 HydrophobicContact CG-CD1 3.94Å; L130-L135 HydrophobicContact CG-CG 4.39Å; L130-L135 WeakPolarHBondContact O-CB 3.32Å; L130-L135 PolarHBondContact O-N 2.81Å; L131-L135 HydrophobicContact CD2-CD1 3.96Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 3.08Å; L135-V138 HydrophobicContact CB-CG2 4.25Å; L135-V138 HydrophobicContact CD2-CG2 3.82Å; L135-V138 WeakPolarHBondContact O-CG2 2.9Å; L135-I208 HydrophobicContact CD2-CG2 3.63Å; L135-I208 HydrophobicContact CG-CG2 4.42Å
136	K	83.9	Confident	86.3	Confident	152 Å²	152	49.9 Å²	49.9	66%	0.661	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	130.4	170.5	-177.3	-176.4	170.8	-168.3	0	108.8	K132 G133	K132-K136 WeakPolarHBondContact O-CB 3.26Å; K132-K136 WeakPolarHBondContact O-CD 3.41Å; G133-K136 VanDerWaalsContact O-CB 3.27Å; G133-K136 WeakPolarHBondContact O-CB 3.45Å; G133-K136 PolarHBondContact O-N 3.46Å
137	G	70.4	Confident	86.3	Confident	11 Å²	11	51 Å²	51	11%	0.113	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.1	179.9	0	0	0	0	0	116	K139 D141 L142	G137-K139 CarbonylContact O-C 3.6Å; G137-K139 PolarHBondContact O-N 3.49Å; G137-D141 VanDerWaalsContact CA-OD2 3.3Å; G137-D141 WeakPolarHBondContact CA-OD2 3.31Å; G137-D141 WeakPolarHBondContact O-CA 3.34Å; G137-D141 WeakPolarHBondContact O-CB 3.35Å; G137-D141 PolarHBondContact O-N 3.02Å; G137-L142 PolarHBondContact O-N 2.81Å; G137-L142 VanDerWaalsContact O-N 3.1Å
138	V	72.8	Confident	86.3	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-48.8	172.6	167	0	0	0	0	111.3	L44 L135 G140	L44-V138 HydrophobicContact CB-CG1 3.69Å; L135-V138 HydrophobicContact CB-CG2 4.25Å; L135-V138 HydrophobicContact CD2-CG2 3.82Å; L135-V138 WeakPolarHBondContact O-CG2 2.9Å; V138-G140 PolarHBondContact O-N 3.3Å
139	K	64.3	Low	86.4	Confident	157 Å²	157	56 Å²	56	68%	0.683	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	100	171	-171.5	168.5	-168.7	160.4	0	109.2	G137	G137-K139 CarbonylContact O-C 3.6Å; G137-K139 PolarHBondContact O-N 3.49Å
140	G	68.6	Low	86.5	Confident	35 Å²	35	53.8 Å²	53.8	36%	0.361	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	103	-79.3	179	0	0	0	0	0	114	V138 L142 K143 K144	V138-G140 PolarHBondContact O-N 3.3Å; G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 2.86Å; G140-K143 PolarHBondContact O-N 3.42Å; G140-K144 WeakPolarHBondContact O-CB 3.49Å; G140-K144 PolarHBondContact O-N 3.39Å
141	D	79.6	Confident	86.6	Confident	109 Å²	109	59.3 Å²	59.3	58%	0.583	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.6	-165.9	-59.1	-46.2	0	0	0	114.1	G137 P145	G137-D141 VanDerWaalsContact CA-OD2 3.3Å; G137-D141 WeakPolarHBondContact CA-OD2 3.31Å; G137-D141 WeakPolarHBondContact O-CA 3.34Å; G137-D141 WeakPolarHBondContact O-CB 3.35Å; G137-D141 PolarHBondContact O-N 3.02Å; D141-P145 WeakPolarHBondContact O-CD 3.47Å
142	L	84.6	Confident	86.7	Confident	38 Å²	38	61.9 Å²	61.9	20%	0.199	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-34.1	178.3	-179.6	61.4	0	0	0	112.9	L44 G137 G140 Y201 K204 V205 I208	L44-L142 HydrophobicContact CD1-CD2 4.25Å; G137-L142 PolarHBondContact O-N 2.81Å; G137-L142 VanDerWaalsContact O-N 3.1Å; G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 2.86Å; L142-Y201 HydrophobicContact CD1-CD2 4.44Å; L142-Y201 HydrophobicContact CD2-CE2 4.11Å; L142-Y201 HydrophobicContact CG-CD2 4.02Å; L142-Y201 HydrophobicContact CG-CE2 3.82Å; L142-K204 HydrophobicContact CD1-CB 3.99Å; L142-K204 HydrophobicContact CD1-CG 3.62Å; L142-V205 HydrophobicContact CD2-CG2 4.47Å; L142-I208 HydrophobicContact CD2-CD1 4.13Å
143	K	88.9	Confident	86.8	Confident	21 Å²	21	56.6 Å²	56.6	9%	0.091	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-28.9	-173.1	-178.2	176	179.2	180	0	113.5	V37 N38 E41 G140 P145 F146 D147 Y201	V37-K143 HydrophobicContact CG1-CD 4.21Å; V37-K143 HydrophobicContact CG1-CG 4.08Å; N38-K143 PolarHBondContact OD1-NZ 2.96Å; E41-K143 WeakPolarHBondContact OE2-CD 3.29Å; E41-K143 WeakPolarHBondContact OE2-CE 3.49Å; E41-K143 IonicContact OE2-NZ 3.24Å; E41-K143 PolarHBondContact OE2-NZ 2.93Å; G140-K143 PolarHBondContact O-N 3.42Å; K143-P145 VanDerWaalsContact C-N 3.32Å; K143-F146 WeakPolarHBondContact O-CA 3.44Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.44Å; K143-D147 VanDerWaalsContact CE-OD1 3.27Å; K143-D147 WeakPolarHBondContact CE-OD1 3.3Å; K143-D147 PolarHBondContact O-N 2.83Å; K143-Y201 HydrophobicContact CB-CE2 4.48Å
144	K	92.8	Very high	87.1	Confident	143 Å²	143	58.3 Å²	58.3	62%	0.622	29%	0.287	S	S	*	.	H	α-helix	trans	-50	-37.4	-177.3	174.3	179.1	178.2	-176.6	0	114.8	G140 K148	G140-K144 WeakPolarHBondContact O-CB 3.49Å; G140-K144 PolarHBondContact O-N 3.39Å; K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 PolarHBondContact O-N 3.08Å
145	P	93.1	Very high	87.4	Confident	55 Å²	55	60.1 Å²	60.1	36%	0.357	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-42.7	174.8	-20.1	33.8	0	0	0	112.9	D141 K143 K148 A149	D141-P145 WeakPolarHBondContact O-CD 3.47Å; K143-P145 VanDerWaalsContact C-N 3.32Å; P145-K148 PolarHBondContact O-N 2.96Å; P145-A149 PolarHBondContact O-N 2.99Å
146	F	94.8	Very high	87.6	Confident	2 Å²	2	63 Å²	63	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-65	-49.1	174.6	174	-89.4	0	0	0	111.8	R34 V37 K143 K148 A149 W150 F194 Q197 M198	R34-F146 HydrophobicContact CB-CE1 4.39Å; R34-F146 HydrophobicContact CB-CZ 4.29Å; R34-F146 HydrophobicContact CG-CE1 4.42Å; V37-F146 HydrophobicContact CB-CD1 4.29Å; V37-F146 HydrophobicContact CB-CE1 3.92Å; V37-F146 HydrophobicContact CB-CZ 4.22Å; V37-F146 HydrophobicContact CG1-CD1 3.86Å; V37-F146 HydrophobicContact CG1-CE1 3.96Å; V37-F146 HydrophobicContact CG1-CG 4.5Å; V37-F146 HydrophobicContact CG2-CD1 4.11Å; V37-F146 HydrophobicContact CG2-CD2 4.2Å; V37-F146 HydrophobicContact CG2-CE1 3.79Å; V37-F146 HydrophobicContact CG2-CE2 3.89Å; V37-F146 HydrophobicContact CG2-CG 4.3Å; V37-F146 HydrophobicContact CG2-CZ 3.67Å; K143-F146 WeakPolarHBondContact O-CA 3.44Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.44Å; F146-K148 PolarHBondContact O-N 2.97Å; F146-A149 PolarHBondContact O-N 3.35Å; F146-A149 VanDerWaalsContact O-N 3.13Å; F146-W150 WeakPolarHBondContact O-CB 3.46Å; F146-W150 PolarHBondContact O-N 3.36Å; F146-F194 HydrophobicContact CD2-CE2 4.04Å; F146-F194 HydrophobicContact CE1-CE2 4.38Å; F146-F194 HydrophobicContact CE2-CD2 4.14Å; F146-F194 AromaticContact CE2-CE2 3.25Å; F146-F194 HydrophobicContact CE2-CE2 3.25Å; F146-F194 AromaticContact CE2-CZ 3.56Å; F146-F194 HydrophobicContact CE2-CZ 3.56Å; F146-F194 AromaticContact CZ-CE2 3.46Å; F146-F194 HydrophobicContact CZ-CE2 3.46Å; F146-F194 VanDerWaalsContact CZ-CE2 3.46Å; F146-F194 AromaticContact CZ-CZ 3.75Å; F146-F194 HydrophobicContact CZ-CZ 3.75Å; F146-Q197 HydrophobicContact CB-CB 4.43Å; F146-M198 HydrophobicContact CD2-CB 4.23Å; F146-M198 HydrophobicContact CD2-SD 4.05Å; F146-M198 HydrophobicContact CE2-CB 4.08Å; F146-M198 HydrophobicContact CE2-CG 4.32Å; F146-M198 HydrophobicContact CE2-SD 3.48Å; F146-M198 WeakPolarHBondContact CE2-SD 3.31Å; F146-M198 HydrophobicContact CZ-SD 4.22Å
147	D	93.8	Very high	87.9	Confident	45 Å²	45	59.4 Å²	59.4	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-29.7	177	-92.1	4.2	0	0	0	112.5	K143 K151	K143-D147 VanDerWaalsContact CE-OD1 3.27Å; K143-D147 WeakPolarHBondContact CE-OD1 3.3Å; K143-D147 PolarHBondContact O-N 2.83Å; D147-K151 WeakPolarHBondContact O-CD 3.47Å; D147-K151 VanDerWaalsContact O-CG 3.25Å; D147-K151 WeakPolarHBondContact O-CG 3.35Å; D147-K151 PolarHBondContact O-N 3.16Å
148	K	95.5	Very high	88.8	Confident	123 Å²	123	63 Å²	63	54%	0.535	32%	0.322	S	S	.	.	H	α-helix	trans	-71.6	-52.3	172	-170.5	-169.6	178.4	-79	0	111	K144 P145 F146 W150 K151 D152	K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 PolarHBondContact O-N 3.08Å; P145-K148 PolarHBondContact O-N 2.96Å; F146-K148 PolarHBondContact O-N 2.97Å; K148-W150 VanDerWaalsContact C-N 3.26Å; K148-W150 PolarHBondContact O-N 2.97Å; K148-K151 PolarHBondContact O-N 2.64Å; K148-D152 IonicContact NZ-OD1 2.99Å; K148-D152 IonicContact NZ-OD2 3.99Å; K148-D152 PolarHBondContact NZ-OD2 3.48Å; K148-D152 WeakPolarHBondContact O-CB 3.48Å; K148-D152 VanDerWaalsContact O-CG 3.3Å; K148-D152 PolarHBondContact O-N 2.98Å
149	A	95.9	Very high	89.7	Confident	3 Å²	3	68.5 Å²	68.5	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-59.6	-36.9	-179.2	0	0	0	0	0	112.4	P145 F146 Y153 L193 Q197	P145-A149 PolarHBondContact O-N 2.99Å; F146-A149 PolarHBondContact O-N 3.35Å; F146-A149 VanDerWaalsContact O-N 3.13Å; A149-Y153 WeakPolarHBondContact O-CB 3.25Å; A149-Y153 PolarHBondContact O-N 2.9Å; A149-L193 HydrophobicContact CB-CG 4.08Å; A149-Q197 HydrophobicContact CB-CB 4.14Å; A149-Q197 HydrophobicContact CB-CG 3.87Å
150	W	94.6	Very high	90.7	Very high	16 Å²	16	61.1 Å²	61.1	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-49.2	171.1	173.8	-85.1	0	0	0	112.6	M30 Q31 R34 F146 K148 Y153 E154 F194	M30-W150 HydrophobicContact CB-CZ3 3.96Å; M30-W150 WeakPolarHBondContact O-CZ3 3.33Å; Q31-W150 HydrophobicContact CB-CH2 4.45Å; R34-W150 HydrophobicContact CB-CE3 4.12Å; R34-W150 HydrophobicContact CB-CH2 4.49Å; R34-W150 HydrophobicContact CB-CZ3 4.04Å; R34-W150 HydrophobicContact CG-CE3 4.49Å; R34-W150 VanDerWaalsContact CZ-NE1 3.33Å; R34-W150 VanDerWaalsContact NH1-NE1 3.11Å; F146-W150 WeakPolarHBondContact O-CB 3.46Å; F146-W150 PolarHBondContact O-N 3.36Å; K148-W150 VanDerWaalsContact C-N 3.26Å; K148-W150 PolarHBondContact O-N 2.97Å; W150-Y153 WeakPolarHBondContact O-CB 3.49Å; W150-Y153 PolarHBondContact O-N 3.04Å; W150-E154 HydrophobicContact CZ2-CG 4.13Å; W150-E154 VanDerWaalsContact CZ2-OE1 3.24Å; W150-E154 WeakPolarHBondContact CZ2-OE1 3.37Å; W150-E154 PolarHBondContact NE1-OE1 3.05Å; W150-E154 PolarHBondContact NE1-OE2 3.17Å; W150-E154 PolarHBondContact O-N 2.98Å; W150-F194 HydrophobicContact CB-CD2 4.35Å; W150-F194 HydrophobicContact CB-CE2 4.23Å; W150-F194 HydrophobicContact CE3-CD2 4.41Å; W150-F194 AromaticContact CE3-CE2 3.65Å; W150-F194 HydrophobicContact CE3-CE2 3.65Å; W150-F194 AromaticContact CE3-CZ 4Å; W150-F194 HydrophobicContact CE3-CZ 4Å; W150-F194 HydrophobicContact CZ3-CE2 4.47Å; W150-F194 HydrophobicContact CZ3-CZ 4.4Å
151	K	95.8	Very high	91.5	Very high	123 Å²	123	62.2 Å²	62.2	54%	0.535	31%	0.31	S	S	.	.	H	α-helix	trans	-68.7	-38.8	-179.3	-73.2	169.3	-174.3	169.6	0	112.6	D147 K148 Y153 E154 A155	D147-K151 WeakPolarHBondContact O-CD 3.47Å; D147-K151 VanDerWaalsContact O-CG 3.25Å; D147-K151 WeakPolarHBondContact O-CG 3.35Å; D147-K151 PolarHBondContact O-N 3.16Å; K148-K151 PolarHBondContact O-N 2.64Å; K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 2.88Å; K151-E154 PolarHBondContact O-N 3.1Å; K151-A155 VanDerWaalsContact O-CB 3.31Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.91Å
152	D	95	Very high	91.8	Very high	58 Å²	58	63.1 Å²	63.1	31%	0.31	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-41.3	174.6	-68.6	-15	0	0	0	109.8	K148 K156	K148-D152 IonicContact NZ-OD1 2.99Å; K148-D152 IonicContact NZ-OD2 3.99Å; K148-D152 PolarHBondContact NZ-OD2 3.48Å; K148-D152 WeakPolarHBondContact O-CB 3.48Å; K148-D152 VanDerWaalsContact O-CG 3.3Å; K148-D152 PolarHBondContact O-N 2.98Å; D152-K156 VanDerWaalsContact O-CB 3.24Å; D152-K156 WeakPolarHBondContact O-CB 3.36Å; D152-K156 PolarHBondContact O-N 3.4Å
153	Y	94.4	Very high	91.8	Very high	22 Å²	22	65.7 Å²	65.7	9%	0.086	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-51.9	173.5	-177.1	-79.3	0	0	0	113	M30 A149 W150 K151 A155 K156 F157 M187 E190 R191	M30-Y153 HydrophobicContact CE-CD1 3.51Å; M30-Y153 HydrophobicContact CE-CD2 3.67Å; M30-Y153 HydrophobicContact CE-CE1 3.53Å; M30-Y153 HydrophobicContact CE-CE2 3.66Å; M30-Y153 HydrophobicContact CE-CG 3.61Å; M30-Y153 HydrophobicContact SD-CD1 4.41Å; M30-Y153 HydrophobicContact SD-CD2 4.34Å; M30-Y153 HydrophobicContact SD-CE1 3.82Å; M30-Y153 HydrophobicContact SD-CE2 3.72Å; A149-Y153 WeakPolarHBondContact O-CB 3.25Å; A149-Y153 PolarHBondContact O-N 2.9Å; W150-Y153 WeakPolarHBondContact O-CB 3.49Å; W150-Y153 PolarHBondContact O-N 3.04Å; K151-Y153 VanDerWaalsContact C-N 3.28Å; K151-Y153 PolarHBondContact O-N 2.88Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.02Å; Y153-K156 PolarHBondContact O-N 3.46Å; Y153-F157 HydrophobicContact CE1-CB 4.4Å; Y153-F157 VanDerWaalsContact O-CB 3.32Å; Y153-F157 WeakPolarHBondContact O-CB 3.27Å; Y153-F157 PolarHBondContact O-N 3.48Å; Y153-M187 HydrophobicContact CD1-CE 4.01Å; Y153-M187 HydrophobicContact CD2-CE 3.28Å; Y153-M187 HydrophobicContact CE1-CE 3.97Å; Y153-M187 HydrophobicContact CE2-CE 3.26Å; Y153-M187 HydrophobicContact CG-CE 3.66Å; Y153-E190 HydrophobicContact CD2-CB 4.23Å; Y153-R191 HydrophobicContact CD2-CB 4.42Å; Y153-R191 HydrophobicContact CE2-CB 4Å; Y153-R191 HydrophobicContact CE2-CG 4.39Å
154	E	93.8	Very high	91.4	Very high	79 Å²	79	66.8 Å²	66.8	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-54.6	-49	177	-84	-179.7	154	0	0	111.1	R34 W150 K151 K156 F157 T158	R34-E154 IonicContact NH1-OE1 2.67Å; W150-E154 HydrophobicContact CZ2-CG 4.13Å; W150-E154 VanDerWaalsContact CZ2-OE1 3.24Å; W150-E154 WeakPolarHBondContact CZ2-OE1 3.37Å; W150-E154 PolarHBondContact NE1-OE1 3.05Å; W150-E154 PolarHBondContact NE1-OE2 3.17Å; W150-E154 PolarHBondContact O-N 2.98Å; K151-E154 PolarHBondContact O-N 3.1Å; E154-K156 PolarHBondContact O-N 3.33Å; E154-F157 PolarHBondContact O-N 3.1Å; E154-T158 PolarHBondContact O-N 2.91Å; E154-T158 PolarHBondContact O-OG1 2.91Å; E154-T158 VanDerWaalsContact O-OG1 3.12Å
155	A	94.4	Very high	90.6	Very high	67 Å²	67	65.3 Å²	65.3	55%	0.554	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-41.9	-178.2	0	0	0	0	0	112.9	K151 Y153 K159	K151-A155 VanDerWaalsContact O-CB 3.31Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.91Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.02Å; A155-K159 WeakPolarHBondContact O-CB 3.45Å; A155-K159 PolarHBondContact O-N 2.98Å
156	K	92.9	Very high	90	Very high	62 Å²	62	67 Å²	67	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-41.6	176.3	176.3	72.5	161.9	138.6	0	111.5	D152 Y153 E154 K159 I160 E186 M187 E190	D152-K156 VanDerWaalsContact O-CB 3.24Å; D152-K156 WeakPolarHBondContact O-CB 3.36Å; D152-K156 PolarHBondContact O-N 3.4Å; Y153-K156 PolarHBondContact O-N 3.46Å; E154-K156 PolarHBondContact O-N 3.33Å; K156-K159 PolarHBondContact O-N 3.44Å; K156-I160 HydrophobicContact CD-CD1 4.03Å; K156-I160 HydrophobicContact CG-CD1 4.04Å; K156-I160 WeakPolarHBondContact O-CG1 3.4Å; K156-I160 PolarHBondContact O-N 2.91Å; K156-E186 WeakPolarHBondContact CE-O 3.42Å; K156-E186 PolarHBondContact NZ-O 3.3Å; K156-M187 HydrophobicContact CB-CE 4.31Å; K156-M187 HydrophobicContact CB-SD 4.12Å; K156-M187 HydrophobicContact CG-CE 4.14Å; K156-M187 HydrophobicContact CG-SD 3.5Å; K156-M187 VanDerWaalsContact CG-SD 3.5Å; K156-E190 HydrophobicContact CB-CG 3.98Å; K156-E190 VanDerWaalsContact CE-OE2 3.25Å; K156-E190 WeakPolarHBondContact CE-OE2 3.3Å; K156-E190 HydrophobicContact CG-CB 4.5Å; K156-E190 HydrophobicContact CG-CG 3.93Å
157	F	89.9	Confident	89.1	Confident	76 Å²	76	72 Å²	72	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-52.2	177	-179.3	-93.3	0	0	0	111.6	Y153 E154 K159 I160 E161 I183 M187	Y153-F157 HydrophobicContact CE1-CB 4.4Å; Y153-F157 VanDerWaalsContact O-CB 3.32Å; Y153-F157 WeakPolarHBondContact O-CB 3.27Å; Y153-F157 PolarHBondContact O-N 3.48Å; E154-F157 PolarHBondContact O-N 3.1Å; F157-K159 PolarHBondContact O-N 2.81Å; F157-I160 PolarHBondContact O-N 3.29Å; F157-E161 VanDerWaalsContact O-CB 3.31Å; F157-E161 WeakPolarHBondContact O-CB 3.17Å; F157-E161 PolarHBondContact O-N 2.75Å; F157-I183 HydrophobicContact CD2-CG2 4.22Å; F157-I183 HydrophobicContact CE2-CG2 4.1Å; F157-M187 HydrophobicContact CB-CE 3.94Å; F157-M187 HydrophobicContact CB-SD 4Å; F157-M187 HydrophobicContact CD2-SD 4.48Å
158	T	89.8	Confident	88.2	Confident	86 Å²	86	70.9 Å²	70.9	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-34.9	176.9	-58	0	0	0	0	112	E154 K162	E154-T158 PolarHBondContact O-N 2.91Å; E154-T158 PolarHBondContact O-OG1 2.91Å; E154-T158 VanDerWaalsContact O-OG1 3.12Å; T158-K162 WeakPolarHBondContact O-CB 3.38Å; T158-K162 PolarHBondContact O-N 2.97Å; T158-K162 VanDerWaalsContact O-N 3.09Å
159	K	90.7	Very high	87.3	Confident	119 Å²	119	72.4 Å²	72.4	52%	0.517	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-54.6	174.7	-178.3	180	171.3	-177.9	0	111.7	A155 K156 F157 E161 K162 E163	A155-K159 WeakPolarHBondContact O-CB 3.45Å; A155-K159 PolarHBondContact O-N 2.98Å; K156-K159 PolarHBondContact O-N 3.44Å; F157-K159 PolarHBondContact O-N 2.81Å; K159-E161 VanDerWaalsContact C-N 3.34Å; K159-E161 PolarHBondContact O-N 2.83Å; K159-K162 PolarHBondContact O-N 3.19Å; K159-E163 WeakPolarHBondContact CE-OE1 3.43Å; K159-E163 WeakPolarHBondContact CE-OE2 3.49Å; K159-E163 HydrophobicContact CG-CG 4.43Å; K159-E163 IonicContact NZ-OE1 3.95Å; K159-E163 PolarHBondContact NZ-OE1 2.7Å; K159-E163 WeakPolarHBondContact O-CG 3.21Å; K159-E163 PolarHBondContact O-N 3.16Å
160	I	86.8	Confident	86.1	Confident	1 Å²	1	79 Å²	79	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-61.1	-44.4	-179.9	-67.8	161.5	0	0	0	110.6	K156 F157 K162 E163 K164 I183 E186 M187	K156-I160 HydrophobicContact CD-CD1 4.03Å; K156-I160 HydrophobicContact CG-CD1 4.04Å; K156-I160 WeakPolarHBondContact O-CG1 3.4Å; K156-I160 PolarHBondContact O-N 2.91Å; F157-I160 PolarHBondContact O-N 3.29Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 2.77Å; I160-E163 PolarHBondContact O-N 2.77Å; I160-K164 HydrophobicContact CG2-CG 3.81Å; I160-K164 WeakPolarHBondContact O-CB 3.32Å; I160-K164 VanDerWaalsContact O-CG 3.25Å; I160-K164 WeakPolarHBondContact O-CG 3.21Å; I160-K164 PolarHBondContact O-N 2.82Å; I160-I183 HydrophobicContact CG2-CG1 4.29Å; I160-I183 HydrophobicContact CG2-CG2 4.43Å; I160-E186 HydrophobicContact CD1-CB 3.7Å; I160-E186 HydrophobicContact CG1-CB 4.46Å; I160-M187 HydrophobicContact CD1-CG 3.91Å; I160-M187 HydrophobicContact CD1-SD 3.57Å; I160-M187 VanDerWaalsContact CD1-SD 3.57Å
161	E	84.2	Confident	85	Confident	59 Å²	59	84.2 Å²	84.2	28%	0.276	40%	0.4	S	S	.	.	H	α-helix	trans	-60.9	-37.9	179.8	-164	-136.1	-159.7	0	0	111.6	F157 K159 R165	F157-E161 VanDerWaalsContact O-CB 3.31Å; F157-E161 WeakPolarHBondContact O-CB 3.17Å; F157-E161 PolarHBondContact O-N 2.75Å; K159-E161 VanDerWaalsContact C-N 3.34Å; K159-E161 PolarHBondContact O-N 2.83Å; E161-R165 WeakPolarHBondContact O-CB 3.49Å; E161-R165 PolarHBondContact O-N 3.38Å; E161-R165 IonicContact OE1-CZ 3.76Å; E161-R165 IonicContact OE1-NH1 3.25Å; E161-R165 PolarHBondContact OE1-NH1 2.96Å; E161-R165 IonicContact OE1-NH2 3.71Å; E161-R165 PolarHBondContact OE1-NH2 3.22Å; E161-R165 IonicContact OE2-CZ 2.74Å; E161-R165 IonicContact OE2-NH1 2.94Å; E161-R165 PolarHBondContact OE2-NH1 3.37Å; E161-R165 IonicContact OE2-NH2 2.78Å; E161-R165 PolarHBondContact OE2-NH2 2.62Å
162	K	85.3	Confident	83.5	Confident	127 Å²	127	81.5 Å²	81.5	55%	0.552	41%	0.407	S	S	*	.	H	α-helix	trans	-66.4	-52.2	170.7	-172.3	-168.8	171.9	-163.6	0	111.7	T158 K159 I160 K164 R165 E166	T158-K162 WeakPolarHBondContact O-CB 3.38Å; T158-K162 PolarHBondContact O-N 2.97Å; T158-K162 VanDerWaalsContact O-N 3.09Å; K159-K162 PolarHBondContact O-N 3.19Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 2.77Å; K162-K164 PolarHBondContact O-N 2.73Å; K162-R165 PolarHBondContact O-N 3.29Å; K162-E166 WeakPolarHBondContact CE-OE2 3.3Å; K162-E166 IonicContact NZ-OE2 3.16Å; K162-E166 WeakPolarHBondContact O-CB 3.25Å; K162-E166 PolarHBondContact O-N 3.34Å
163	E	85.1	Confident	81.8	Confident	92 Å²	92	84.3 Å²	84.3	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-44.2	-175	-73.7	175	152.2	0	0	112	K159 I160 E166 H167	K159-E163 WeakPolarHBondContact CE-OE1 3.43Å; K159-E163 WeakPolarHBondContact CE-OE2 3.49Å; K159-E163 HydrophobicContact CG-CG 4.43Å; K159-E163 IonicContact NZ-OE1 3.95Å; K159-E163 PolarHBondContact NZ-OE1 2.7Å; K159-E163 WeakPolarHBondContact O-CG 3.21Å; K159-E163 PolarHBondContact O-N 3.16Å; I160-E163 PolarHBondContact O-N 2.77Å; E163-E166 PolarHBondContact O-N 2.99Å; E163-H167 VanDerWaalsContact O-CB 3.32Å; E163-H167 WeakPolarHBondContact O-CB 3.3Å; E163-H167 PolarHBondContact O-N 3.06Å
164	K	79.9	Confident	80	Confident	44 Å²	44	91.3 Å²	91.3	19%	0.191	46%	0.457	C	S	.	.	H	α-helix	trans	-65.2	-41.3	175.1	-63.7	-77.5	-178.2	171.6	0	112.1	I160 K162 E166 H167 A168 I178 E182 E186	I160-K164 HydrophobicContact CG2-CG 3.81Å; I160-K164 WeakPolarHBondContact O-CB 3.32Å; I160-K164 VanDerWaalsContact O-CG 3.25Å; I160-K164 WeakPolarHBondContact O-CG 3.21Å; I160-K164 PolarHBondContact O-N 2.82Å; K162-K164 PolarHBondContact O-N 2.73Å; K164-E166 VanDerWaalsContact C-N 3.28Å; K164-E166 PolarHBondContact O-N 3.38Å; K164-H167 PolarHBondContact O-N 3.35Å; K164-A168 WeakPolarHBondContact O-CB 3.4Å; K164-A168 PolarHBondContact O-N 2.77Å; K164-I178 HydrophobicContact CB-CD1 3.63Å; K164-I178 HydrophobicContact CB-CG1 4.1Å; K164-I178 HydrophobicContact CB-CG2 4.15Å; K164-I178 HydrophobicContact CG-CG2 4.32Å; K164-E182 IonicContact NZ-OE2 2.71Å; K164-E186 WeakPolarHBondContact CE-OE1 3.3Å; K164-E186 IonicContact NZ-OE1 3.76Å; K164-E186 PolarHBondContact NZ-OE1 2.85Å
165	R	77.3	Confident	78	Confident	112 Å²	112	95 Å²	95	42%	0.423	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-29.2	175.3	-178.4	-176.3	-72.3	125.4	-9.4	112.6	E161 K162 K169	E161-R165 WeakPolarHBondContact O-CB 3.49Å; E161-R165 PolarHBondContact O-N 3.38Å; E161-R165 IonicContact OE1-CZ 3.76Å; E161-R165 IonicContact OE1-NH1 3.25Å; E161-R165 PolarHBondContact OE1-NH1 2.96Å; E161-R165 IonicContact OE1-NH2 3.71Å; E161-R165 PolarHBondContact OE1-NH2 3.22Å; E161-R165 IonicContact OE2-CZ 2.74Å; E161-R165 IonicContact OE2-NH1 2.94Å; E161-R165 PolarHBondContact OE2-NH1 3.37Å; E161-R165 IonicContact OE2-NH2 2.78Å; E161-R165 PolarHBondContact OE2-NH2 2.62Å; K162-R165 PolarHBondContact O-N 3.29Å; R165-K169 WeakPolarHBondContact O-CG 3.25Å
166	E	80.3	Confident	76.2	Confident	91 Å²	91	98.3 Å²	98.3	43%	0.425	48%	0.481	S	S	.	.	H	α-helix	trans	-80.1	-43	176.5	-163.2	160.1	171.4	0	0	111.2	K162 E163 K164 A168 K169 Q170	K162-E166 WeakPolarHBondContact CE-OE2 3.3Å; K162-E166 IonicContact NZ-OE2 3.16Å; K162-E166 WeakPolarHBondContact O-CB 3.25Å; K162-E166 PolarHBondContact O-N 3.34Å; E163-E166 PolarHBondContact O-N 2.99Å; K164-E166 VanDerWaalsContact C-N 3.28Å; K164-E166 PolarHBondContact O-N 3.38Å; E166-A168 PolarHBondContact O-N 3.14Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 3.28Å; E166-Q170 WeakPolarHBondContact O-CG 3.42Å; E166-Q170 PolarHBondContact O-N 2.82Å; E166-Q170 VanDerWaalsContact O-N 3.09Å
167	H	76.7	Confident	74.5	Confident	106 Å²	106	103 Å²	103	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-43.9	172.8	-173.4	-90.4	0	0	0	112.7	E163 K164 K169 Q170 H171	E163-H167 VanDerWaalsContact O-CB 3.32Å; E163-H167 WeakPolarHBondContact O-CB 3.3Å; E163-H167 PolarHBondContact O-N 3.06Å; K164-H167 PolarHBondContact O-N 3.35Å; H167-K169 VanDerWaalsContact C-N 3.3Å; H167-K169 PolarHBondContact O-N 3.3Å; H167-Q170 PolarHBondContact O-N 2.97Å; H167-Q170 VanDerWaalsContact O-N 3.16Å; H167-H171 AromaticContact CE1-CD2 3.45Å; H167-H171 PolarHBondContact CE1-CD2 2.7Å; H167-H171 VanDerWaalsContact CE1-CD2 3.45Å; H167-H171 AromaticContact CE1-NE2 3.63Å; H167-H171 AromaticContact ND1-CD2 3.73Å; H167-H171 AromaticContact NE2-CD2 3.72Å; H167-H171 AromaticContact NE2-NE2 3.52Å; H167-H171 PolarHBondContact O-CD2 2.82Å; H167-H171 PolarHBondContact O-N 3.16Å; H167-H171 VanDerWaalsContact O-N 3.12Å
168	A	73.8	Confident	73.3	Confident	23 Å²	23	102 Å²	102	19%	0.19	50%	0.501	C	S	.	.	H	α-helix	trans	-58	-40.6	176.4	0	0	0	0	0	112.7	K164 E166 M173	K164-A168 WeakPolarHBondContact O-CB 3.4Å; K164-A168 PolarHBondContact O-N 2.77Å; E166-A168 PolarHBondContact O-N 3.14Å; A168-M173 PolarHBondContact O-N 3.31Å
169	K	75.9	Confident	72.1	Confident	154 Å²	154	100.8 Å²	100.8	67%	0.67	49%	0.494	S	S	*	.	H	α-helix	trans	-66	-42.1	175.1	-67.9	170.4	-178.5	-178.5	0	112.1	R165 E166 H167 H171 G172	R165-K169 WeakPolarHBondContact O-CG 3.25Å; E166-K169 WeakPolarHBondContact O-CB 3.48Å; E166-K169 PolarHBondContact O-N 3.28Å; H167-K169 VanDerWaalsContact C-N 3.3Å; H167-K169 PolarHBondContact O-N 3.3Å; K169-H171 VanDerWaalsContact C-N 3.29Å; K169-H171 PolarHBondContact O-N 3.4Å; K169-G172 PolarHBondContact O-N 3.34Å; K169-G172 VanDerWaalsContact O-N 3.14Å
170	Q	71.9	Confident	71.1	Confident	141 Å²	141	97.6 Å²	97.6	66%	0.659	50%	0.495	S	S	*	.	H	α-helix	trans	-63.4	-34.3	-179.7	-70.3	174.2	10.8	0	0	112.4	E166 H167 G172	E166-Q170 WeakPolarHBondContact O-CG 3.42Å; E166-Q170 PolarHBondContact O-N 2.82Å; E166-Q170 VanDerWaalsContact O-N 3.09Å; H167-Q170 PolarHBondContact O-N 2.97Å; H167-Q170 VanDerWaalsContact O-N 3.16Å; Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.99Å
171	H	71.4	Confident	70.3	Confident	127 Å²	127	99.6 Å²	99.6	59%	0.588	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	9.2	176	-77.3	-79.2	0	0	0	114.8	H167 K169 M173	H167-H171 AromaticContact CE1-CD2 3.45Å; H167-H171 PolarHBondContact CE1-CD2 2.7Å; H167-H171 VanDerWaalsContact CE1-CD2 3.45Å; H167-H171 AromaticContact CE1-NE2 3.63Å; H167-H171 AromaticContact ND1-CD2 3.73Å; H167-H171 AromaticContact NE2-CD2 3.72Å; H167-H171 AromaticContact NE2-NE2 3.52Å; H167-H171 PolarHBondContact O-CD2 2.82Å; H167-H171 PolarHBondContact O-N 3.16Å; H167-H171 VanDerWaalsContact O-N 3.12Å; K169-H171 VanDerWaalsContact C-N 3.29Å; K169-H171 PolarHBondContact O-N 3.4Å; H171-M173 PolarHBondContact O-N 2.95Å; H171-M173 VanDerWaalsContact O-N 3.11Å
172	G	63.3	Low	69.7	Low	66 Å²	66	100.7 Å²	100.7	68%	0.68	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	9.3	177.9	0	0	0	0	0	114.9	K169 Q170	K169-G172 PolarHBondContact O-N 3.34Å; K169-G172 VanDerWaalsContact O-N 3.14Å; Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.99Å
173	M	59.3	Low	69.4	Low	117 Å²	117	95.8 Å²	95.8	58%	0.576	50%	0.496	S	S	*	.			trans	-86.1	116.2	179.9	-76.9	-167.5	159.2	0	0	110.7	A168 H171 R175	A168-M173 PolarHBondContact O-N 3.31Å; H171-M173 PolarHBondContact O-N 2.95Å; H171-M173 VanDerWaalsContact O-N 3.11Å; M173-R175 HydrophobicContact CB-CB 4.34Å; M173-R175 PolarHBondContact O-N 2.92Å
174	I	56.5	Low	69.2	Low	169 Å²	169	92.2 Å²	92.2	87%	0.867	48%	0.482	S	S	*	.			trans	-76.4	68.9	163.8	-49.2	179.1	0	0	0	108.3
175	R	53.6	Low	69.2	Low	156 Å²	156	97.4 Å²	97.4	59%	0.589	51%	0.507	S	S	*	.			trans	-99.4	101.2	174.8	-148.8	173.8	-173.2	163.2	-1.5	107.9	M173 E177	M173-R175 HydrophobicContact CB-CB 4.34Å; M173-R175 PolarHBondContact O-N 2.92Å; R175-E177 PolarHBondContact O-N 3.21Å
176	T	55.6	Low	69.6	Low	137 Å²	137	95.8 Å²	95.8	84%	0.84	50%	0.504	S	S	*	.			trans	-67	-24	-175.3	-13.2	0	0	0	0	113
177	E	57.1	Low	70	Confident	159 Å²	159	91.5 Å²	91.5	74%	0.743	48%	0.484	S	S	*	.	S	Bend	trans	-124.1	131.8	-173.5	-69.5	165.7	-152	0	0	110	R175	R175-E177 PolarHBondContact O-N 3.21Å
178	I	64.1	Low	70.6	Confident	55 Å²	55	90.3 Å²	90.3	28%	0.282	48%	0.479	S	S	.	.			trans	-90.1	134.9	171.5	-59.1	155.6	0	0	0	107.3	K164 G180 I183	K164-I178 HydrophobicContact CB-CD1 3.63Å; K164-I178 HydrophobicContact CB-CG1 4.1Å; K164-I178 HydrophobicContact CB-CG2 4.15Å; K164-I178 HydrophobicContact CG-CG2 4.32Å; I178-G180 PolarHBondContact O-N 2.88Å; I178-G180 VanDerWaalsContact O-N 3.13Å; I178-I183 HydrophobicContact CB-CD1 4.11Å; I178-I183 HydrophobicContact CG2-CD1 3.75Å; I178-I183 HydrophobicContact CG2-CG1 3.88Å
179	T	66.5	Low	71.4	Confident	62 Å²	62	96.7 Å²	96.7	38%	0.38	50%	0.502	S	S	.	.			trans	-63.4	113.9	-177.5	-19.9	0	0	0	0	110.4	A181 E182	T179-A181 PolarHBondContact O-N 3.32Å; T179-E182 WeakPolarHBondContact CB-OE1 3.38Å; T179-E182 WeakPolarHBondContact O-CB 3.4Å; T179-E182 PolarHBondContact O-N 3.39Å; T179-E182 PolarHBondContact OG1-OE1 3.31Å
180	G	67.9	Low	72.3	Confident	52 Å²	52	90.8 Å²	90.8	54%	0.536	48%	0.477	S	S	.	.	H	α-helix	trans	-55.6	-31.5	-172	0	0	0	0	0	114.6	I178 E182 I183 A184	I178-G180 PolarHBondContact O-N 2.88Å; I178-G180 VanDerWaalsContact O-N 3.13Å; G180-E182 VanDerWaalsContact C-N 3.34Å; G180-E182 PolarHBondContact O-N 3.47Å; G180-I183 PolarHBondContact O-N 3.35Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.93Å
181	A	71.2	Confident	73.3	Confident	43 Å²	43	84.2 Å²	84.2	36%	0.355	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-36.5	175	0	0	0	0	0	113.6	T22 T179 A184 E185	T22-A181 HydrophobicContact CG2-CB 3.92Å; T179-A181 PolarHBondContact O-N 3.32Å; A181-A184 PolarHBondContact O-N 2.82Å; A181-E185 PolarHBondContact O-N 3.24Å
182	E	72.1	Confident	74.4	Confident	81 Å²	81	80.5 Å²	80.5	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-69	-36.9	178	-63.6	171.7	-137.8	0	0	111.7	K164 T179 G180 E186	K164-E182 IonicContact NZ-OE2 2.71Å; T179-E182 WeakPolarHBondContact CB-OE1 3.38Å; T179-E182 WeakPolarHBondContact O-CB 3.4Å; T179-E182 PolarHBondContact O-N 3.39Å; T179-E182 PolarHBondContact OG1-OE1 3.31Å; G180-E182 VanDerWaalsContact C-N 3.34Å; G180-E182 PolarHBondContact O-N 3.47Å; E182-E186 PolarHBondContact O-N 2.89Å
183	I	78.9	Confident	75.9	Confident	25 Å²	25	80.3 Å²	80.3	13%	0.128	41%	0.41	C	S	.	.	H	α-helix	trans	-71.4	-37.3	174.6	-58.6	178.1	0	0	0	109.7	F157 I160 I178 G180 E185 E186 M187	F157-I183 HydrophobicContact CD2-CG2 4.22Å; F157-I183 HydrophobicContact CE2-CG2 4.1Å; I160-I183 HydrophobicContact CG2-CG1 4.29Å; I160-I183 HydrophobicContact CG2-CG2 4.43Å; I178-I183 HydrophobicContact CB-CD1 4.11Å; I178-I183 HydrophobicContact CG2-CD1 3.75Å; I178-I183 HydrophobicContact CG2-CG1 3.88Å; G180-I183 PolarHBondContact O-N 3.35Å; I183-E185 VanDerWaalsContact C-N 3.32Å; I183-E185 PolarHBondContact O-N 3.11Å; I183-E186 PolarHBondContact O-N 3.1Å; I183-M187 HydrophobicContact CG2-CG 3.8Å; I183-M187 WeakPolarHBondContact O-CB 3.36Å; I183-M187 WeakPolarHBondContact O-CG 3.46Å; I183-M187 PolarHBondContact O-N 2.89Å
184	A	79.1	Confident	77.7	Confident	16 Å²	16	74.7 Å²	74.7	13%	0.132	38%	0.383	C	S	.	.	H	α-helix	trans	-62.7	-35	-179.7	0	0	0	0	0	113.3	P21 T22 G180 A181 E188 R191	P21-A184 WeakPolarHBondContact O-CB 3.43Å; T22-A184 HydrophobicContact CG2-CB 4.45Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.93Å; A181-A184 PolarHBondContact O-N 2.82Å; A184-E188 PolarHBondContact O-N 3.45Å; A184-R191 PolarHBondContact O-NH1 2.83Å; A184-R191 PolarHBondContact O-NH2 2.97Å
185	E	80.2	Confident	79.6	Confident	153 Å²	153	67.1 Å²	67.1	72%	0.715	34%	0.344	S	S	*	.	H	α-helix	trans	-69.4	-55.4	173.9	-172	174.1	-167.6	0	0	111.2	A181 I183 M187 E188	A181-E185 PolarHBondContact O-N 3.24Å; I183-E185 VanDerWaalsContact C-N 3.32Å; I183-E185 PolarHBondContact O-N 3.11Å; E185-M187 PolarHBondContact O-N 2.79Å; E185-M187 VanDerWaalsContact O-N 3.12Å; E185-E188 WeakPolarHBondContact O-CB 3.24Å; E185-E188 PolarHBondContact O-N 3.21Å
186	E	85.6	Confident	81.6	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-18.4	-179	-74.7	-172.5	-132.1	0	0	114.7	K156 I160 K164 E182 I183	K156-E186 WeakPolarHBondContact CE-O 3.42Å; K156-E186 PolarHBondContact NZ-O 3.3Å; I160-E186 HydrophobicContact CD1-CB 3.7Å; I160-E186 HydrophobicContact CG1-CB 4.46Å; K164-E186 WeakPolarHBondContact CE-OE1 3.3Å; K164-E186 IonicContact NZ-OE1 3.76Å; K164-E186 PolarHBondContact NZ-OE1 2.85Å; E182-E186 PolarHBondContact O-N 2.89Å; I183-E186 PolarHBondContact O-N 3.1Å
187	M	89.3	Confident	83.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.9	174.8	-72.8	-63	-56.1	0	0	114.4	Y153 K156 F157 I160 I183 E185 K189 E190 R191	Y153-M187 HydrophobicContact CD1-CE 4.01Å; Y153-M187 HydrophobicContact CD2-CE 3.28Å; Y153-M187 HydrophobicContact CE1-CE 3.97Å; Y153-M187 HydrophobicContact CE2-CE 3.26Å; Y153-M187 HydrophobicContact CG-CE 3.66Å; K156-M187 HydrophobicContact CB-CE 4.31Å; K156-M187 HydrophobicContact CB-SD 4.12Å; K156-M187 HydrophobicContact CG-CE 4.14Å; K156-M187 HydrophobicContact CG-SD 3.5Å; K156-M187 VanDerWaalsContact CG-SD 3.5Å; F157-M187 HydrophobicContact CB-CE 3.94Å; F157-M187 HydrophobicContact CB-SD 4Å; F157-M187 HydrophobicContact CD2-SD 4.48Å; I160-M187 HydrophobicContact CD1-CG 3.91Å; I160-M187 HydrophobicContact CD1-SD 3.57Å; I160-M187 VanDerWaalsContact CD1-SD 3.57Å; I183-M187 HydrophobicContact CG2-CG 3.8Å; I183-M187 WeakPolarHBondContact O-CB 3.36Å; I183-M187 WeakPolarHBondContact O-CG 3.46Å; I183-M187 PolarHBondContact O-N 2.89Å; E185-M187 PolarHBondContact O-N 2.79Å; E185-M187 VanDerWaalsContact O-N 3.12Å; M187-K189 PolarHBondContact O-N 3.22Å; M187-E190 HydrophobicContact CE-CB 4.21Å; M187-E190 PolarHBondContact O-N 3.41Å; M187-R191 VanDerWaalsContact O-CB 3.32Å; M187-R191 WeakPolarHBondContact O-CB 3.43Å; M187-R191 PolarHBondContact O-N 3.34Å
188	E	88.6	Confident	85.3	Confident	81 Å²	81	51.7 Å²	51.7	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-47.4	-169.9	177.3	163.7	-140.4	0	0	112.5	A184 E185 E190 R191 R192	A184-E188 PolarHBondContact O-N 3.45Å; E185-E188 WeakPolarHBondContact O-CB 3.24Å; E185-E188 PolarHBondContact O-N 3.21Å; E188-E190 PolarHBondContact O-N 2.94Å; E188-R191 PolarHBondContact O-N 3.31Å; E188-R192 HydrophobicContact CG-CG 3.71Å; E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 2.87Å; E188-R192 IonicContact OE1-CZ 3Å; E188-R192 IonicContact OE1-NE 2.83Å; E188-R192 PolarHBondContact OE1-NE 3.34Å; E188-R192 IonicContact OE1-NH2 3.39Å; E188-R192 PolarHBondContact OE1-NH2 2.96Å
189	K	92.2	Very high	86.8	Confident	157 Å²	157	51 Å²	51	68%	0.683	27%	0.271	S	S	*	.	H	α-helix	trans	-57	-50.2	-177.7	179.8	-170.7	172.4	-160	0	112.1	M187 L193	M187-K189 PolarHBondContact O-N 3.22Å; K189-L193 WeakPolarHBondContact O-CB 3.43Å; K189-L193 PolarHBondContact O-N 2.75Å
190	E	94.6	Very high	88.2	Confident	30 Å²	30	53 Å²	53	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-69.4	-34.2	179.5	-71.8	69.9	-152.3	0	0	111.9	Y153 K156 M187 E188 L193 F194	Y153-E190 HydrophobicContact CD2-CB 4.23Å; K156-E190 HydrophobicContact CB-CG 3.98Å; K156-E190 VanDerWaalsContact CE-OE2 3.25Å; K156-E190 WeakPolarHBondContact CE-OE2 3.3Å; K156-E190 HydrophobicContact CG-CB 4.5Å; K156-E190 HydrophobicContact CG-CG 3.93Å; M187-E190 HydrophobicContact CE-CB 4.21Å; M187-E190 PolarHBondContact O-N 3.41Å; E188-E190 PolarHBondContact O-N 2.94Å; E190-L193 PolarHBondContact O-N 3.39Å; E190-F194 WeakPolarHBondContact O-CB 3.46Å; E190-F194 PolarHBondContact O-N 3.49Å
191	R	93.1	Very high	89.4	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-46.4	174.4	-172.4	168.1	65.6	-98.7	-1.1	112.3	D17 P21 F26 Y153 A184 M187 E188 L193 F194 Q195	D17-R191 VanDerWaalsContact OD1-CD 3.28Å; D17-R191 WeakPolarHBondContact OD1-CD 3.37Å; D17-R191 IonicContact OD1-CZ 2.68Å; D17-R191 IonicContact OD1-NE 2.68Å; D17-R191 PolarHBondContact OD1-NE 2.93Å; D17-R191 WeakPolarHBondContact OD2-CD 3.46Å; D17-R191 IonicContact OD2-CZ 3.11Å; D17-R191 IonicContact OD2-NE 2.75Å; D17-R191 PolarHBondContact OD2-NE 3.49Å; P21-R191 VanDerWaalsContact CB-NH2 3.3Å; F26-R191 HydrophobicContact CD1-CG 4.33Å; F26-R191 HydrophobicContact CE1-CG 4.32Å; Y153-R191 HydrophobicContact CD2-CB 4.42Å; Y153-R191 HydrophobicContact CE2-CB 4Å; Y153-R191 HydrophobicContact CE2-CG 4.39Å; A184-R191 PolarHBondContact O-NH1 2.83Å; A184-R191 PolarHBondContact O-NH2 2.97Å; M187-R191 VanDerWaalsContact O-CB 3.32Å; M187-R191 WeakPolarHBondContact O-CB 3.43Å; M187-R191 PolarHBondContact O-N 3.34Å; E188-R191 PolarHBondContact O-N 3.31Å; R191-L193 VanDerWaalsContact C-N 3.35Å; R191-F194 PolarHBondContact O-N 3.16Å; R191-Q195 WeakPolarHBondContact O-CG 3.41Å; R191-Q195 PolarHBondContact O-N 3.02Å
192	R	94.3	Very high	90.6	Very high	48 Å²	48	49.8 Å²	49.8	18%	0.181	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-39.3	175.9	-64.9	-77.6	173.7	-113.9	-5.2	111.4	D17 E188 Q195 L196	D17-R192 PolarHBondContact O-NH1 2.88Å; D17-R192 PolarHBondContact O-NH2 2.86Å; D17-R192 IonicContact OD2-CZ 3.78Å; D17-R192 IonicContact OD2-NH1 2.74Å; D17-R192 PolarHBondContact OD2-NH1 2.89Å; D17-R192 IonicContact OD2-NH2 2.95Å; E188-R192 HydrophobicContact CG-CG 3.71Å; E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 WeakPolarHBondContact O-CG 3.28Å; E188-R192 PolarHBondContact O-N 2.87Å; E188-R192 IonicContact OE1-CZ 3Å; E188-R192 IonicContact OE1-NE 2.83Å; E188-R192 PolarHBondContact OE1-NE 3.34Å; E188-R192 IonicContact OE1-NH2 3.39Å; E188-R192 PolarHBondContact OE1-NH2 2.96Å; R192-Q195 PolarHBondContact O-N 3.46Å; R192-L196 WeakPolarHBondContact O-CB 3.49Å; R192-L196 PolarHBondContact O-N 2.89Å
193	L	95	Very high	91.6	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-42.1	174.9	-176.6	61.2	0	0	0	111.8	A149 K189 E190 R191 L196 Q197	A149-L193 HydrophobicContact CB-CG 4.08Å; K189-L193 WeakPolarHBondContact O-CB 3.43Å; K189-L193 PolarHBondContact O-N 2.75Å; E190-L193 PolarHBondContact O-N 3.39Å; R191-L193 VanDerWaalsContact C-N 3.35Å; L193-L196 PolarHBondContact O-N 3.42Å; L193-Q197 HydrophobicContact CD1-CG 4.34Å; L193-Q197 WeakPolarHBondContact O-CG 3.48Å; L193-Q197 PolarHBondContact O-N 3.15Å
194	F	96.3	Very high	92.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-48	174.2	177.2	-100.3	0	0	0	112.4	F26 M30 C33 F146 W150 E190 R191 L196 Q197 M198	F26-F194 HydrophobicContact CE1-CD1 4.08Å; F26-F194 HydrophobicContact CE1-CE1 4.34Å; F26-F194 HydrophobicContact CZ-CD1 4.04Å; F26-F194 HydrophobicContact CZ-CE1 4.06Å; M30-F194 HydrophobicContact CB-CE1 4.21Å; M30-F194 HydrophobicContact CE-CB 4.36Å; M30-F194 HydrophobicContact CE-CD1 3.55Å; M30-F194 HydrophobicContact CE-CD2 4.26Å; M30-F194 HydrophobicContact CE-CE1 3.82Å; M30-F194 HydrophobicContact CE-CE2 4.5Å; M30-F194 HydrophobicContact CE-CG 3.77Å; M30-F194 HydrophobicContact CE-CZ 4.28Å; M30-F194 HydrophobicContact CG-CD1 4.3Å; M30-F194 HydrophobicContact CG-CE1 3.93Å; M30-F194 HydrophobicContact SD-CD1 4.35Å; C33-F194 HydrophobicContact CB-CE1 4.16Å; C33-F194 HydrophobicContact CB-CZ 3.86Å; F146-F194 HydrophobicContact CD2-CE2 4.04Å; F146-F194 HydrophobicContact CE1-CE2 4.38Å; F146-F194 HydrophobicContact CE2-CD2 4.14Å; F146-F194 AromaticContact CE2-CE2 3.25Å; F146-F194 HydrophobicContact CE2-CE2 3.25Å; F146-F194 AromaticContact CE2-CZ 3.56Å; F146-F194 HydrophobicContact CE2-CZ 3.56Å; F146-F194 AromaticContact CZ-CE2 3.46Å; F146-F194 HydrophobicContact CZ-CE2 3.46Å; F146-F194 VanDerWaalsContact CZ-CE2 3.46Å; F146-F194 AromaticContact CZ-CZ 3.75Å; F146-F194 HydrophobicContact CZ-CZ 3.75Å; W150-F194 HydrophobicContact CB-CD2 4.35Å; W150-F194 HydrophobicContact CB-CE2 4.23Å; W150-F194 HydrophobicContact CE3-CD2 4.41Å; W150-F194 AromaticContact CE3-CE2 3.65Å; W150-F194 HydrophobicContact CE3-CE2 3.65Å; W150-F194 AromaticContact CE3-CZ 4Å; W150-F194 HydrophobicContact CE3-CZ 4Å; W150-F194 HydrophobicContact CZ3-CE2 4.47Å; W150-F194 HydrophobicContact CZ3-CZ 4.4Å; E190-F194 WeakPolarHBondContact O-CB 3.46Å; E190-F194 PolarHBondContact O-N 3.49Å; R191-F194 PolarHBondContact O-N 3.16Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å; F194-Q197 PolarHBondContact O-N 3.28Å; F194-M198 WeakPolarHBondContact O-CB 3.39Å; F194-M198 PolarHBondContact O-N 3.11Å
195	Q	95.6	Very high	93	Very high	9 Å²	9	52 Å²	52	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-56.4	-47.7	175.4	-74	162.2	-12.1	0	0	111.4	T14 D17 F26 R191 R192 Q197 M198 C199	T14-Q195 HydrophobicContact CG2-CB 4.06Å; T14-Q195 HydrophobicContact CG2-CG 3.86Å; D17-Q195 VanDerWaalsContact CG-NE2 3.31Å; D17-Q195 PolarHBondContact OD2-NE2 3.41Å; F26-Q195 HydrophobicContact CE1-CG 3.74Å; F26-Q195 HydrophobicContact CE2-CG 4.08Å; F26-Q195 HydrophobicContact CZ-CG 3.43Å; F26-Q195 VanDerWaalsContact CZ-CG 3.43Å; R191-Q195 WeakPolarHBondContact O-CG 3.41Å; R191-Q195 PolarHBondContact O-N 3.02Å; R192-Q195 PolarHBondContact O-N 3.46Å; Q195-Q197 PolarHBondContact O-N 3.09Å; Q195-M198 PolarHBondContact O-N 2.98Å; Q195-C199 PolarHBondContact O-N 3.33Å; Q195-C199 PolarHBondContact O-SG 3.26Å; Q195-C199 VanDerWaalsContact O-SG 3.33Å
196	L	95.7	Very high	93.6	Very high	86 Å²	86	49 Å²	49	45%	0.45	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-48.8	177.1	177.6	62.5	0	0	0	112.2	R192 L193 F194 M198 C199 E200	R192-L196 WeakPolarHBondContact O-CB 3.49Å; R192-L196 PolarHBondContact O-N 2.89Å; L193-L196 PolarHBondContact O-N 3.42Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å; L196-M198 VanDerWaalsContact C-N 3.29Å; L196-M198 PolarHBondContact O-N 3.08Å; L196-C199 WeakPolarHBondContact O-CB 3.48Å; L196-C199 PolarHBondContact O-N 2.85Å; L196-E200 HydrophobicContact CD1-CG 4.42Å; L196-E200 WeakPolarHBondContact O-CG 3.28Å; L196-E200 PolarHBondContact O-N 2.82Å
197	Q	95.9	Very high	93.9	Very high	41 Å²	41	49.3 Å²	49.3	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-26.6	-179.6	-62.1	-50.6	-75.4	0	0	113	F146 A149 L193 F194 Q195 Y201	F146-Q197 HydrophobicContact CB-CB 4.43Å; A149-Q197 HydrophobicContact CB-CB 4.14Å; A149-Q197 HydrophobicContact CB-CG 3.87Å; L193-Q197 HydrophobicContact CD1-CG 4.34Å; L193-Q197 WeakPolarHBondContact O-CG 3.48Å; L193-Q197 PolarHBondContact O-N 3.15Å; F194-Q197 PolarHBondContact O-N 3.28Å; Q195-Q197 PolarHBondContact O-N 3.09Å; Q197-Y201 WeakPolarHBondContact O-CB 3.35Å; Q197-Y201 PolarHBondContact O-N 3.02Å; Q197-Y201 VanDerWaalsContact O-N 3.08Å
198	M	95.6	Very high	94.1	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-70.1	-40.8	169.7	-172.5	64.6	175.6	0	0	111.6	I5 F10 C33 V37 F146 F194 Q195 L196 Y201 L202	I5-M198 HydrophobicContact CG2-CE 4.43Å; F10-M198 HydrophobicContact CD2-CG 3.95Å; F10-M198 HydrophobicContact CE1-CB 4.46Å; F10-M198 HydrophobicContact CE1-CG 4.05Å; F10-M198 HydrophobicContact CE2-CB 3.84Å; F10-M198 HydrophobicContact CE2-CG 3.41Å; F10-M198 VanDerWaalsContact CE2-CG 3.41Å; F10-M198 HydrophobicContact CG-CG 4.48Å; F10-M198 HydrophobicContact CZ-CB 3.64Å; F10-M198 HydrophobicContact CZ-CG 3.47Å; F10-M198 VanDerWaalsContact CZ-CG 3.47Å; C33-M198 HydrophobicContact CB-CE 3.79Å; C33-M198 HydrophobicContact CB-SD 4.14Å; V37-M198 HydrophobicContact CG2-CE 4.06Å; V37-M198 HydrophobicContact CG2-SD 3.56Å; V37-M198 VanDerWaalsContact CG2-SD 3.56Å; F146-M198 HydrophobicContact CD2-CB 4.23Å; F146-M198 HydrophobicContact CD2-SD 4.05Å; F146-M198 HydrophobicContact CE2-CB 4.08Å; F146-M198 HydrophobicContact CE2-CG 4.32Å; F146-M198 HydrophobicContact CE2-SD 3.48Å; F146-M198 WeakPolarHBondContact CE2-SD 3.31Å; F146-M198 HydrophobicContact CZ-SD 4.22Å; F194-M198 WeakPolarHBondContact O-CB 3.39Å; F194-M198 PolarHBondContact O-N 3.11Å; Q195-M198 PolarHBondContact O-N 2.98Å; L196-M198 VanDerWaalsContact C-N 3.29Å; L196-M198 PolarHBondContact O-N 3.08Å; M198-Y201 PolarHBondContact O-N 3.24Å; M198-L202 HydrophobicContact CE-CD1 4.06Å; M198-L202 HydrophobicContact CE-CD2 4.21Å; M198-L202 HydrophobicContact CE-CG 4.15Å; M198-L202 HydrophobicContact CG-CD1 4.24Å; M198-L202 WeakPolarHBondContact O-CB 3.46Å; M198-L202 VanDerWaalsContact O-CG 3.32Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 3.24Å; M198-L202 HydrophobicContact SD-CG 4.47Å
199	C	95.6	Very high	94.3	Very high	41 Å²	41	51.7 Å²	51.7	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-53.2	172.5	-70	0	0	0	0	111.6	Q195 L196 Y201 L202 I203	Q195-C199 PolarHBondContact O-N 3.33Å; Q195-C199 PolarHBondContact O-SG 3.26Å; Q195-C199 VanDerWaalsContact O-SG 3.33Å; L196-C199 WeakPolarHBondContact O-CB 3.48Å; L196-C199 PolarHBondContact O-N 2.85Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 PolarHBondContact O-N 3.34Å; C199-L202 PolarHBondContact O-N 2.79Å; C199-I203 WeakPolarHBondContact O-CB 3.5Å; C199-I203 WeakPolarHBondContact O-CD1 3.44Å; C199-I203 VanDerWaalsContact O-CG1 3.23Å; C199-I203 WeakPolarHBondContact O-CG1 3.33Å; C199-I203 PolarHBondContact O-N 3.46Å
200	E	94.8	Very high	94.4	Very high	104 Å²	104	47.2 Å²	47.2	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-56.1	-45	178.4	-69.3	-65.4	162.8	0	0	111.8	L196 K204	L196-E200 HydrophobicContact CD1-CG 4.42Å; L196-E200 WeakPolarHBondContact O-CG 3.28Å; L196-E200 PolarHBondContact O-N 2.82Å; E200-K204 WeakPolarHBondContact O-CB 3.48Å; E200-K204 PolarHBondContact O-N 3.11Å
201	Y	94.4	Very high	94.3	Very high	6 Å²	6	49 Å²	49	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-49.7	176.6	-175.7	-88	0	0	0	111.9	V37 L40 E41 L142 K143 Q197 M198 C199 I203 K204 V205	V37-Y201 HydrophobicContact CB-CE1 4.22Å; V37-Y201 HydrophobicContact CG1-CE1 4.04Å; V37-Y201 HydrophobicContact CG1-CE2 4.04Å; V37-Y201 HydrophobicContact CG2-CD1 3.84Å; V37-Y201 HydrophobicContact CG2-CE1 3.88Å; V37-Y201 HydrophobicContact CG2-CG 4.42Å; V37-Y201 PolarHBondContact O-OH 3.32Å; L40-Y201 HydrophobicContact CB-CE1 4.11Å; L40-Y201 HydrophobicContact CD1-CE1 4.01Å; E41-Y201 PolarHBondContact N-OH 3.15Å; L142-Y201 HydrophobicContact CD1-CD2 4.44Å; L142-Y201 HydrophobicContact CD2-CE2 4.11Å; L142-Y201 HydrophobicContact CG-CD2 4.02Å; L142-Y201 HydrophobicContact CG-CE2 3.82Å; K143-Y201 HydrophobicContact CB-CE2 4.48Å; Q197-Y201 WeakPolarHBondContact O-CB 3.35Å; Q197-Y201 PolarHBondContact O-N 3.02Å; Q197-Y201 VanDerWaalsContact O-N 3.08Å; M198-Y201 PolarHBondContact O-N 3.24Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 PolarHBondContact O-N 3.34Å; Y201-I203 PolarHBondContact O-N 2.91Å; Y201-K204 PolarHBondContact O-N 2.88Å; Y201-V205 HydrophobicContact CD1-CG2 3.9Å; Y201-V205 HydrophobicContact CE1-CG2 3.49Å; Y201-V205 VanDerWaalsContact CE1-CG2 3.49Å; Y201-V205 HydrophobicContact CE2-CG2 4.37Å; Y201-V205 HydrophobicContact CG-CG2 4.48Å; Y201-V205 WeakPolarHBondContact O-CB 3.25Å; Y201-V205 VanDerWaalsContact O-CG2 3.31Å; Y201-V205 WeakPolarHBondContact O-CG2 3.4Å; Y201-V205 PolarHBondContact O-N 2.74Å
202	L	95.2	Very high	94.3	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179.8	-72.7	177.4	0	0	0	112.6	V7 F10 L40 M198 C199 N206	V7-L202 HydrophobicContact CG2-CD1 4.46Å; V7-L202 HydrophobicContact CG2-CD2 4.31Å; F10-L202 HydrophobicContact CD1-CD1 3.49Å; F10-L202 VanDerWaalsContact CD1-CD1 3.49Å; F10-L202 HydrophobicContact CE1-CD1 3.88Å; F10-L202 HydrophobicContact CG-CD1 4.09Å; L40-L202 HydrophobicContact CD1-CD2 4.07Å; M198-L202 HydrophobicContact CE-CD1 4.06Å; M198-L202 HydrophobicContact CE-CD2 4.21Å; M198-L202 HydrophobicContact CE-CG 4.15Å; M198-L202 HydrophobicContact CG-CD1 4.24Å; M198-L202 WeakPolarHBondContact O-CB 3.46Å; M198-L202 VanDerWaalsContact O-CG 3.32Å; M198-L202 WeakPolarHBondContact O-CG 3.47Å; M198-L202 PolarHBondContact O-N 3.24Å; M198-L202 HydrophobicContact SD-CG 4.47Å; C199-L202 PolarHBondContact O-N 2.79Å; L202-N206 WeakPolarHBondContact O-CB 3.44Å; L202-N206 PolarHBondContact O-N 3.31Å
203	I	94.2	Very high	94.2	Very high	95 Å²	95	50.1 Å²	50.1	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-51.2	173.3	-70.4	164.2	0	0	0	109.5	C199 Y201 V205 N206 E207	C199-I203 WeakPolarHBondContact O-CB 3.5Å; C199-I203 WeakPolarHBondContact O-CD1 3.44Å; C199-I203 VanDerWaalsContact O-CG1 3.23Å; C199-I203 WeakPolarHBondContact O-CG1 3.33Å; C199-I203 PolarHBondContact O-N 3.46Å; Y201-I203 PolarHBondContact O-N 2.91Å; I203-V205 PolarHBondContact O-N 2.88Å; I203-N206 WeakPolarHBondContact O-CA 3.45Å; I203-N206 WeakPolarHBondContact O-CB 3.35Å; I203-N206 PolarHBondContact O-N 2.82Å; I203-N206 VanDerWaalsContact O-N 3.07Å; I203-E207 PolarHBondContact O-N 3.44Å
204	K	92.8	Very high	94.1	Very high	59 Å²	59	51.7 Å²	51.7	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-36.6	-176	-169.8	64.2	-168.8	172.6	0	113.1	D134 L142 E200 Y201 N206 E207 I208	D134-K204 IonicContact OD1-NZ 3.59Å; D134-K204 PolarHBondContact OD1-NZ 2.81Å; L142-K204 HydrophobicContact CD1-CB 3.99Å; L142-K204 HydrophobicContact CD1-CG 3.62Å; E200-K204 WeakPolarHBondContact O-CB 3.48Å; E200-K204 PolarHBondContact O-N 3.11Å; Y201-K204 PolarHBondContact O-N 2.88Å; K204-N206 VanDerWaalsContact C-N 3.29Å; K204-N206 PolarHBondContact O-N 3.02Å; K204-E207 WeakPolarHBondContact CD-OE2 3.46Å; K204-E207 IonicContact NZ-OE2 3.69Å; K204-E207 PolarHBondContact NZ-OE2 2.89Å; K204-E207 PolarHBondContact O-N 3.32Å; K204-I208 HydrophobicContact CG-CD1 4.3Å; K204-I208 WeakPolarHBondContact O-CD1 3.13Å; K204-I208 VanDerWaalsContact O-CG1 3.28Å; K204-I208 WeakPolarHBondContact O-CG1 3.26Å; K204-I208 PolarHBondContact O-N 3.26Å
205	V	93.4	Very high	94	Very high	15 Å²	15	55 Å²	55	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-36.5	170.9	172.8	0	0	0	0	111.2	L40 L44 L142 Y201 I203 I208 K209	L40-V205 HydrophobicContact CD1-CG1 4.31Å; L40-V205 HydrophobicContact CD2-CG1 4.18Å; L44-V205 HydrophobicContact CD1-CG1 4.4Å; L44-V205 HydrophobicContact CD1-CG2 3.97Å; L142-V205 HydrophobicContact CD2-CG2 4.47Å; Y201-V205 HydrophobicContact CD1-CG2 3.9Å; Y201-V205 HydrophobicContact CE1-CG2 3.49Å; Y201-V205 VanDerWaalsContact CE1-CG2 3.49Å; Y201-V205 HydrophobicContact CE2-CG2 4.37Å; Y201-V205 HydrophobicContact CG-CG2 4.48Å; Y201-V205 WeakPolarHBondContact O-CB 3.25Å; Y201-V205 VanDerWaalsContact O-CG2 3.31Å; Y201-V205 WeakPolarHBondContact O-CG2 3.4Å; Y201-V205 PolarHBondContact O-N 2.74Å; I203-V205 PolarHBondContact O-N 2.88Å; V205-I208 PolarHBondContact O-N 2.86Å; V205-K209 WeakPolarHBondContact O-CB 3.43Å; V205-K209 PolarHBondContact O-N 3.46Å
206	N	93.3	Very high	93.9	Very high	91 Å²	91	55.4 Å²	55.4	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-70.9	-38.5	176.6	-166.4	58.6	0	0	0	112.7	L202 I203 K204 I208 K209 T210	L202-N206 WeakPolarHBondContact O-CB 3.44Å; L202-N206 PolarHBondContact O-N 3.31Å; I203-N206 WeakPolarHBondContact O-CA 3.45Å; I203-N206 WeakPolarHBondContact O-CB 3.35Å; I203-N206 PolarHBondContact O-N 2.82Å; I203-N206 VanDerWaalsContact O-N 3.07Å; K204-N206 VanDerWaalsContact C-N 3.29Å; K204-N206 PolarHBondContact O-N 3.02Å; N206-I208 PolarHBondContact O-N 2.85Å; N206-K209 WeakPolarHBondContact O-CB 3.39Å; N206-K209 PolarHBondContact O-N 3.09Å; N206-T210 PolarHBondContact O-N 3.39Å; N206-T210 PolarHBondContact O-OG1 3.15Å
207	E	92.8	Very high	93.9	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-57.1	-48.7	169.3	-69.5	-172.8	178.6	0	0	111.6	I203 K204 K209 T210 K211	I203-E207 PolarHBondContact O-N 3.44Å; K204-E207 WeakPolarHBondContact CD-OE2 3.46Å; K204-E207 IonicContact NZ-OE2 3.69Å; K204-E207 PolarHBondContact NZ-OE2 2.89Å; K204-E207 PolarHBondContact O-N 3.32Å; E207-K209 PolarHBondContact O-N 3.49Å; E207-T210 PolarHBondContact O-N 2.91Å; E207-K211 WeakPolarHBondContact O-CG 3.49Å; E207-K211 PolarHBondContact O-N 2.86Å
208	I	93	Very high	93.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-38.9	177.6	-69.2	161.6	0	0	0	110.5	L44 D134 L135 L142 K204 V205 N206 K211 K212	L44-I208 HydrophobicContact CD1-CD1 4.48Å; L44-I208 HydrophobicContact CD2-CG2 3.55Å; D134-I208 HydrophobicContact CB-CG1 3.87Å; L135-I208 HydrophobicContact CD2-CG2 3.63Å; L135-I208 HydrophobicContact CG-CG2 4.42Å; L142-I208 HydrophobicContact CD2-CD1 4.13Å; K204-I208 HydrophobicContact CG-CD1 4.3Å; K204-I208 WeakPolarHBondContact O-CD1 3.13Å; K204-I208 VanDerWaalsContact O-CG1 3.28Å; K204-I208 WeakPolarHBondContact O-CG1 3.26Å; K204-I208 PolarHBondContact O-N 3.26Å; V205-I208 PolarHBondContact O-N 2.86Å; N206-I208 PolarHBondContact O-N 2.85Å; I208-K211 PolarHBondContact O-N 3.15Å; I208-K212 HydrophobicContact CG2-CD 4.27Å; I208-K212 WeakPolarHBondContact O-CB 3.42Å; I208-K212 VanDerWaalsContact O-CG 3.27Å; I208-K212 WeakPolarHBondContact O-CG 3.28Å; I208-K212 PolarHBondContact O-N 3.35Å
209	K	92.6	Very high	93.9	Very high	132 Å²	132	60.6 Å²	60.6	57%	0.574	31%	0.313	S	S	*	.	H	α-helix	trans	-62.9	-43.6	176.5	-173	-176.8	176.6	-174.4	0	112.4	V205 N206 E207 G213	V205-K209 WeakPolarHBondContact O-CB 3.43Å; V205-K209 PolarHBondContact O-N 3.46Å; N206-K209 WeakPolarHBondContact O-CB 3.39Å; N206-K209 PolarHBondContact O-N 3.09Å; E207-K209 PolarHBondContact O-N 3.49Å; K209-G213 PolarHBondContact O-N 2.84Å; K209-G213 VanDerWaalsContact O-N 3.1Å
210	T	93.5	Very high	94	Very high	62 Å²	62	61.3 Å²	61.3	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-49.4	174.4	-58.6	0	0	0	0	111	N206 E207 K212 G213 V214 D215	N206-T210 PolarHBondContact O-N 3.39Å; N206-T210 PolarHBondContact O-OG1 3.15Å; E207-T210 PolarHBondContact O-N 2.91Å; T210-K212 PolarHBondContact O-N 2.93Å; T210-G213 CarbonylContact O-C 3.58Å; T210-G213 PolarHBondContact O-N 2.81Å; T210-V214 HydrophobicContact CG2-CB 4.34Å; T210-V214 HydrophobicContact CG2-CG2 4.49Å; T210-V214 PolarHBondContact O-N 2.87Å; T210-D215 PolarHBondContact O-N 3.44Å
211	K	92.6	Very high	94	Very high	69 Å²	69	60.3 Å²	60.3	30%	0.3	31%	0.311	S	S	.	.	I	π-helix	trans	-63.8	-43.3	-178	-67.6	177	176.3	-178.9	0	113.5	L130 D134 E207 I208 G213 D215 L216	L130-K211 HydrophobicContact CD1-CB 3.98Å; D134-K211 HydrophobicContact CB-CD 4.47Å; D134-K211 IonicContact OD1-NZ 2.7Å; D134-K211 PolarHBondContact OD1-NZ 3.08Å; D134-K211 VanDerWaalsContact OD2-CD 3.31Å; D134-K211 WeakPolarHBondContact OD2-CD 3.47Å; D134-K211 IonicContact OD2-NZ 2.94Å; D134-K211 PolarHBondContact OD2-NZ 2.7Å; E207-K211 WeakPolarHBondContact O-CG 3.49Å; E207-K211 PolarHBondContact O-N 2.86Å; I208-K211 PolarHBondContact O-N 3.15Å; K211-G213 VanDerWaalsContact C-N 3.34Å; K211-D215 WeakPolarHBondContact CA-OD2 3.34Å; K211-L216 PolarHBondContact O-N 2.95Å
212	K	93.3	Very high	94.1	Very high	49 Å²	49	64.8 Å²	64.8	21%	0.213	33%	0.33	C	S	.	.	I	π-helix	trans	-75	-22.9	179.3	81.2	-172.7	177.9	178.3	0	113.6	D47 L51 L130 I208 T210	D47-K212 VanDerWaalsContact OD2-CE 3.32Å; D47-K212 WeakPolarHBondContact OD2-CE 3.47Å; D47-K212 IonicContact OD2-NZ 3.71Å; D47-K212 PolarHBondContact OD2-NZ 2.83Å; L51-K212 HydrophobicContact CD1-CB 4.45Å; L130-K212 HydrophobicContact CD2-CB 3.85Å; I208-K212 HydrophobicContact CG2-CD 4.27Å; I208-K212 WeakPolarHBondContact O-CB 3.42Å; I208-K212 VanDerWaalsContact O-CG 3.27Å; I208-K212 WeakPolarHBondContact O-CG 3.28Å; I208-K212 PolarHBondContact O-N 3.35Å; T210-K212 PolarHBondContact O-N 2.93Å
213	G	92.6	Very high	94.2	Very high	26 Å²	26	65.1 Å²	65.1	27%	0.268	33%	0.33	S	S	.	.	I	π-helix	trans	-98.4	-81.5	179.3	0	0	0	0	0	112.4	K209 T210 K211 L217	K209-G213 PolarHBondContact O-N 2.84Å; K209-G213 VanDerWaalsContact O-N 3.1Å; T210-G213 CarbonylContact O-C 3.58Å; T210-G213 PolarHBondContact O-N 2.81Å; K211-G213 VanDerWaalsContact C-N 3.34Å; G213-L217 WeakPolarHBondContact O-CB 3.45Å; G213-L217 VanDerWaalsContact O-CG 3.24Å; G213-L217 WeakPolarHBondContact O-CG 3.32Å; G213-L217 PolarHBondContact O-N 3.19Å
214	V	93.8	Very high	94.4	Very high	95 Å²	95	67.3 Å²	67.3	58%	0.576	33%	0.333	S	S	*	.	I	π-helix	trans	-63	-53.3	-170.3	-176.3	0	0	0	0	111.5	T210 L216 L217 Q218	T210-V214 HydrophobicContact CG2-CB 4.34Å; T210-V214 HydrophobicContact CG2-CG2 4.49Å; T210-V214 PolarHBondContact O-N 2.87Å; V214-L216 PolarHBondContact O-N 3.4Å; V214-L217 PolarHBondContact O-N 2.96Å; V214-Q218 WeakPolarHBondContact O-CB 3.29Å; V214-Q218 PolarHBondContact O-N 3.38Å
215	D	93.1	Very high	94.6	Very high	68 Å²	68	68.8 Å²	68.8	36%	0.364	34%	0.341	S	S	.	.	I	π-helix	trans	-68.1	-39.7	-173.9	-57.3	-19.1	0	0	0	111.4	T210 K211 Q218 N219	T210-D215 PolarHBondContact O-N 3.44Å; K211-D215 WeakPolarHBondContact CA-OD2 3.34Å; D215-Q218 PolarHBondContact O-N 3.24Å; D215-N219 WeakPolarHBondContact O-CB 3.26Å; D215-N219 PolarHBondContact O-N 3.34Å; D215-N219 PolarHBondContact O-ND2 3.19Å
216	L	94	Very high	94.7	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-45.2	176.2	-176.4	59.1	0	0	0	111.7	L51 T126 L127 K211 V214 N219 L220	L51-L216 HydrophobicContact CD2-CD2 3.67Å; T126-L216 HydrophobicContact CG2-CD1 4.08Å; L127-L216 HydrophobicContact CD2-CD1 3.85Å; L127-L216 HydrophobicContact CD2-CD2 4.13Å; L127-L216 HydrophobicContact CG-CD1 4.2Å; K211-L216 PolarHBondContact O-N 2.95Å; V214-L216 PolarHBondContact O-N 3.4Å; L216-N219 PolarHBondContact O-N 2.78Å; L216-L220 HydrophobicContact CG-CD1 4.23Å; L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 3.03Å
217	L	95.8	Very high	94.9	Very high	108 Å²	108	67.3 Å²	67.3	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-42.7	174.8	-74.9	170.5	0	0	0	111.8	G213 V214 N219 L220 I221	G213-L217 WeakPolarHBondContact O-CB 3.45Å; G213-L217 VanDerWaalsContact O-CG 3.24Å; G213-L217 WeakPolarHBondContact O-CG 3.32Å; G213-L217 PolarHBondContact O-N 3.19Å; V214-L217 PolarHBondContact O-N 2.96Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.91Å; L217-L220 PolarHBondContact O-N 3.36Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 3.34Å
218	Q	96.1	Very high	95.1	Very high	101 Å²	101	66.5 Å²	66.5	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-34.8	179.1	-175.5	56.4	85.7	0	0	112.2	V214 D215 K222	V214-Q218 WeakPolarHBondContact O-CB 3.29Å; V214-Q218 PolarHBondContact O-N 3.38Å; D215-Q218 PolarHBondContact O-N 3.24Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 3.37Å
219	N	96.2	Very high	95.2	Very high	27 Å²	27	70.6 Å²	70.6	14%	0.144	36%	0.36	C	S	.	.	H	α-helix	trans	-79	-32.9	174.9	-70.6	-56.4	0	0	0	113.2	N122 D215 L216 L217 I221 K222 Y223	N122-N219 HydrophobicContact CB-CB 4.44Å; N122-N219 WeakPolarHBondContact O-CB 3.15Å; D215-N219 WeakPolarHBondContact O-CB 3.26Å; D215-N219 PolarHBondContact O-N 3.34Å; D215-N219 PolarHBondContact O-ND2 3.19Å; L216-N219 PolarHBondContact O-N 2.78Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 2.91Å; N219-I221 VanDerWaalsContact C-N 3.31Å; N219-I221 PolarHBondContact O-N 3.31Å; N219-K222 WeakPolarHBondContact O-CB 3.36Å; N219-K222 PolarHBondContact O-N 2.91Å; N219-K222 WeakPolarHBondContact OD1-CE 3.37Å; N219-K222 PolarHBondContact OD1-NZ 3.06Å; N219-Y223 PolarHBondContact O-N 3.36Å; N219-Y223 VanDerWaalsContact O-N 3.08Å
220	L	95.8	Very high	95.4	Very high	56 Å²	56	66.5 Å²	66.5	29%	0.293	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-40.2	168.5	-74.6	166.8	0	0	0	111.4	V123 L216 L217 K222 Y223 Y224	V123-L220 HydrophobicContact CG1-CD2 4.08Å; V123-L220 HydrophobicContact CG2-CD2 4.01Å; L216-L220 HydrophobicContact CG-CD1 4.23Å; L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 3.03Å; L217-L220 PolarHBondContact O-N 3.36Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.99Å; L220-Y223 PolarHBondContact O-N 3.03Å; L220-Y224 WeakPolarHBondContact O-CD2 3.27Å; L220-Y224 PolarHBondContact O-N 2.85Å
221	I	96.7	Very high	95.6	Very high	84 Å²	84	69.6 Å²	69.6	43%	0.431	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-42.9	174.1	-72.8	164.9	0	0	0	111.1	L217 N219 Y223 Y224 H225	L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.39Å; L217-I221 PolarHBondContact O-N 3.34Å; N219-I221 VanDerWaalsContact C-N 3.31Å; N219-I221 PolarHBondContact O-N 3.31Å; I221-Y223 PolarHBondContact O-N 3.47Å; I221-Y224 PolarHBondContact O-N 3.02Å; I221-H225 PolarHBondContact O-CD2 3.02Å; I221-H225 VanDerWaalsContact O-CD2 3.31Å; I221-H225 PolarHBondContact O-N 2.78Å
222	K	96.4	Very high	95.8	Very high	99 Å²	99	71.7 Å²	71.7	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-44.1	174.1	-65.5	171.5	-170.3	169.7	0	111.9	N122 Q218 N219 L220 H225 A226	N122-K222 WeakPolarHBondContact OD1-CB 3.26Å; N122-K222 WeakPolarHBondContact OD1-CD 3.5Å; Q218-K222 WeakPolarHBondContact O-CG 3.47Å; Q218-K222 PolarHBondContact O-N 3.37Å; N219-K222 WeakPolarHBondContact O-CB 3.36Å; N219-K222 PolarHBondContact O-N 2.91Å; N219-K222 WeakPolarHBondContact OD1-CE 3.37Å; N219-K222 PolarHBondContact OD1-NZ 3.06Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.99Å; K222-H225 PolarHBondContact O-N 3.39Å; K222-A226 PolarHBondContact O-N 2.74Å
223	Y	97.1	Very high	95.9	Very high	28 Å²	28	72.3 Å²	72.3	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-47.5	177.3	170.7	-106.9	0	0	0	112.1	L115 L119 V123 N219 L220 I221 H225 A226 Q227	L115-Y223 HydrophobicContact CD1-CD2 4.25Å; L115-Y223 HydrophobicContact CD1-CE2 3.55Å; L115-Y223 HydrophobicContact CG-CE2 4.23Å; L119-Y223 HydrophobicContact CB-CD2 3.98Å; L119-Y223 HydrophobicContact CB-CE2 3.69Å; L119-Y223 HydrophobicContact CD1-CD1 4.26Å; L119-Y223 HydrophobicContact CD1-CD2 3.88Å; L119-Y223 HydrophobicContact CD1-CE1 4.04Å; L119-Y223 HydrophobicContact CD1-CE2 3.64Å; L119-Y223 HydrophobicContact CD1-CG 4.19Å; L119-Y223 HydrophobicContact CG-CE2 4.2Å; V123-Y223 HydrophobicContact CG2-CD1 4.38Å; V123-Y223 HydrophobicContact CG2-CG 3.98Å; N219-Y223 PolarHBondContact O-N 3.36Å; N219-Y223 VanDerWaalsContact O-N 3.08Å; L220-Y223 PolarHBondContact O-N 3.03Å; I221-Y223 PolarHBondContact O-N 3.47Å; Y223-H225 VanDerWaalsContact C-N 3.3Å; Y223-H225 PolarHBondContact O-N 2.86Å; Y223-A226 CarbonylContact O-C 3.54Å; Y223-A226 WeakPolarHBondContact O-CB 3.3Å; Y223-A226 PolarHBondContact O-N 3.32Å; Y223-A226 VanDerWaalsContact O-N 3.08Å; Y223-Q227 PolarHBondContact O-N 3Å
224	Y	96.9	Very high	96	Very high	141 Å²	141	71.7 Å²	71.7	55%	0.553	36%	0.36	S	S	*	.	H	α-helix	trans	-63.6	-33.8	176.8	-84.2	-71	0	0	0	112.9	L220 I221 Q227 C228	L220-Y224 WeakPolarHBondContact O-CD2 3.27Å; L220-Y224 PolarHBondContact O-N 2.85Å; I221-Y224 PolarHBondContact O-N 3.02Å; Y224-Q227 VanDerWaalsContact CD1-OE1 3.29Å; Y224-Q227 VanDerWaalsContact CE1-OE1 3.3Å; Y224-Q227 PolarHBondContact O-N 3.4Å; Y224-C228 PolarHBondContact O-N 3.21Å; Y224-C228 PolarHBondContact O-SG 3.41Å; Y224-C228 VanDerWaalsContact O-SG 3.36Å
225	H	97.4	Very high	96	Very high	90 Å²	90	72.2 Å²	72.2	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-41.9	170.6	-90.6	-78.7	0	0	0	112.2	I221 K222 Y223 Q227 C228 N229 K912	I221-H225 PolarHBondContact O-CD2 3.02Å; I221-H225 VanDerWaalsContact O-CD2 3.31Å; I221-H225 PolarHBondContact O-N 2.78Å; K222-H225 PolarHBondContact O-N 3.39Å; Y223-H225 VanDerWaalsContact C-N 3.3Å; Y223-H225 PolarHBondContact O-N 2.86Å; H225-Q227 VanDerWaalsContact C-N 3.32Å; H225-Q227 PolarHBondContact O-N 2.76Å; H225-C228 PolarHBondContact O-N 3.3Å; H225-N229 VanDerWaalsContact O-CG 3.31Å; H225-N229 PolarHBondContact O-N 2.87Å; H225-N229 VanDerWaalsContact O-N 3.11Å; H225-N229 PolarHBondContact O-OD1 3.33Å; H225-K912 PolarHBondContact NE2-NZ 2.88Å
226	A	97	Very high	96	Very high	27 Å²	27	74.5 Å²	74.5	22%	0.223	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-35.8	172.5	0	0	0	0	0	112.6	L115 S118 K222 Y223 N229 F230	L115-A226 HydrophobicContact CD1-CB 4.28Å; S118-A226 VanDerWaalsContact OG-CB 3.23Å; S118-A226 WeakPolarHBondContact OG-CB 3.01Å; K222-A226 PolarHBondContact O-N 2.74Å; Y223-A226 CarbonylContact O-C 3.54Å; Y223-A226 WeakPolarHBondContact O-CB 3.3Å; Y223-A226 PolarHBondContact O-N 3.32Å; Y223-A226 VanDerWaalsContact O-N 3.08Å; A226-N229 PolarHBondContact O-N 3.03Å; A226-F230 PolarHBondContact O-N 2.86Å
227	Q	95.7	Very high	95.9	Very high	48 Å²	48	74 Å²	74	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-67.1	-40.4	176.3	-166.4	176.6	28.6	0	0	112.3	L115 Y223 Y224 H225 F230 F231	L115-Q227 HydrophobicContact CD1-CB 3.93Å; L115-Q227 HydrophobicContact CD1-CG 4.38Å; L115-Q227 HydrophobicContact CD2-CG 4.24Å; Y223-Q227 PolarHBondContact O-N 3Å; Y224-Q227 VanDerWaalsContact CD1-OE1 3.29Å; Y224-Q227 VanDerWaalsContact CE1-OE1 3.3Å; Y224-Q227 PolarHBondContact O-N 3.4Å; H225-Q227 VanDerWaalsContact C-N 3.32Å; H225-Q227 PolarHBondContact O-N 2.76Å; Q227-F230 PolarHBondContact O-N 3.47Å; Q227-F231 HydrophobicContact CG-CD2 4.12Å; Q227-F231 HydrophobicContact CG-CE2 3.73Å; Q227-F231 WeakPolarHBondContact O-CD2 3.16Å; Q227-F231 PolarHBondContact O-N 3.1Å; Q227-F231 VanDerWaalsContact O-N 3.16Å
228	C	96.9	Very high	95.6	Very high	68 Å²	68	70.9 Å²	70.9	46%	0.459	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-43.4	171.8	-71.5	0	0	0	0	111.9	Y224 H225 F231 Q232	Y224-C228 PolarHBondContact O-N 3.21Å; Y224-C228 PolarHBondContact O-SG 3.41Å; Y224-C228 VanDerWaalsContact O-SG 3.36Å; H225-C228 PolarHBondContact O-N 3.3Å; C228-F231 PolarHBondContact O-N 2.93Å; C228-Q232 WeakPolarHBondContact O-CG 3.18Å; C228-Q232 PolarHBondContact O-N 3.46Å
229	N	96	Very high	95.3	Very high	85 Å²	85	69.9 Å²	69.9	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-45.8	177.7	-66	4.8	0	0	0	111.2	H225 A226 F231 Q232 D233	H225-N229 VanDerWaalsContact O-CG 3.31Å; H225-N229 PolarHBondContact O-N 2.87Å; H225-N229 VanDerWaalsContact O-N 3.11Å; H225-N229 PolarHBondContact O-OD1 3.33Å; A226-N229 PolarHBondContact O-N 3.03Å; N229-F231 VanDerWaalsContact C-N 3.34Å; N229-F231 PolarHBondContact O-N 2.99Å; N229-Q232 PolarHBondContact O-N 3.18Å; N229-Q232 VanDerWaalsContact O-N 3.11Å; N229-D233 PolarHBondContact O-N 3.39Å
230	F	97.4	Very high	94.9	Very high	46 Å²	46	73.3 Å²	73.3	20%	0.202	37%	0.365	C	S	.	.	H	α-helix	trans	-51.2	-49.3	174.6	165.8	-100	0	0	0	112.4	L111 L112 L115 A226 Q227 G234	L111-F230 HydrophobicContact CB-CD2 3.86Å; L111-F230 HydrophobicContact CB-CE2 4.06Å; L111-F230 WeakPolarHBondContact O-CD2 3.44Å; L112-F230 HydrophobicContact CB-CE2 3.85Å; L112-F230 HydrophobicContact CB-CZ 4.4Å; L112-F230 HydrophobicContact CD1-CE2 4.29Å; L112-F230 HydrophobicContact CD1-CZ 4.24Å; L115-F230 HydrophobicContact CB-CB 4.28Å; L115-F230 HydrophobicContact CB-CD2 4.29Å; L115-F230 HydrophobicContact CB-CG 4.28Å; L115-F230 HydrophobicContact CD2-CB 4Å; L115-F230 HydrophobicContact CD2-CD1 3.67Å; L115-F230 HydrophobicContact CD2-CD2 4.29Å; L115-F230 HydrophobicContact CD2-CE1 4.23Å; L115-F230 HydrophobicContact CD2-CG 3.7Å; L115-F230 HydrophobicContact CG-CB 4.5Å; A226-F230 PolarHBondContact O-N 2.86Å; Q227-F230 PolarHBondContact O-N 3.47Å; F230-G234 PolarHBondContact O-N 2.92Å
231	F	96.7	Very high	94.4	Very high	128 Å²	128	72.5 Å²	72.5	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-67.8	-37	178.3	-73	-58.2	0	0	0	113	Q227 C228 N229 L235	Q227-F231 HydrophobicContact CG-CD2 4.12Å; Q227-F231 HydrophobicContact CG-CE2 3.73Å; Q227-F231 WeakPolarHBondContact O-CD2 3.16Å; Q227-F231 PolarHBondContact O-N 3.1Å; Q227-F231 VanDerWaalsContact O-N 3.16Å; C228-F231 PolarHBondContact O-N 2.93Å; N229-F231 VanDerWaalsContact C-N 3.34Å; N229-F231 PolarHBondContact O-N 2.99Å; F231-L235 VanDerWaalsContact O-CB 3.3Å; F231-L235 WeakPolarHBondContact O-CB 3.43Å; F231-L235 PolarHBondContact O-N 2.91Å
232	Q	96.4	Very high	94	Very high	113 Å²	113	74.1 Å²	74.1	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-41	177.5	-73.4	178.7	20.8	0	0	112.7	C228 N229 K236	C228-Q232 WeakPolarHBondContact O-CG 3.18Å; C228-Q232 PolarHBondContact O-N 3.46Å; N229-Q232 PolarHBondContact O-N 3.18Å; N229-Q232 VanDerWaalsContact O-N 3.11Å; Q232-K236 VanDerWaalsContact O-CE 3.29Å; Q232-K236 WeakPolarHBondContact O-CE 3.49Å; Q232-K236 VanDerWaalsContact O-CG 3.29Å; Q232-K236 WeakPolarHBondContact O-CG 3.46Å; Q232-K236 PolarHBondContact O-N 3.36Å
233	D	95.7	Very high	93.6	Very high	61 Å²	61	76.2 Å²	76.2	33%	0.326	38%	0.376	S	S	.	.	H	α-helix	trans	-78.8	-36.5	180	-66.5	-35.7	0	0	0	111.8	L111 N229 L235 K236 T237	L111-D233 HydrophobicContact CD1-CB 4.04Å; L111-D233 HydrophobicContact CD2-CB 3.97Å; N229-D233 PolarHBondContact O-N 3.39Å; D233-L235 VanDerWaalsContact C-N 3.34Å; D233-L235 PolarHBondContact O-N 2.94Å; D233-K236 WeakPolarHBondContact O-CB 3.37Å; D233-K236 PolarHBondContact O-N 3.39Å; D233-K236 IonicContact OD1-NZ 2.67Å; D233-K236 PolarHBondContact OD1-NZ 3.22Å; D233-T237 PolarHBondContact O-N 3.41Å
234	G	95.3	Very high	93.2	Very high	13 Å²	13	76.8 Å²	76.8	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-40.7	172	0	0	0	0	0	112.5	F230 T237 A238	F230-G234 PolarHBondContact O-N 2.92Å; G234-T237 PolarHBondContact O-N 3.39Å; G234-A238 WeakPolarHBondContact O-CB 3.5Å; G234-A238 PolarHBondContact O-N 3.39Å
235	L	93.9	Very high	92.9	Very high	107 Å²	107	73.7 Å²	73.7	56%	0.56	37%	0.371	S	S	*	.	H	α-helix	trans	-62	-44.5	173.8	-179.6	60.5	0	0	0	111.9	F231 D233 T237 A238 D239	F231-L235 VanDerWaalsContact O-CB 3.3Å; F231-L235 WeakPolarHBondContact O-CB 3.43Å; F231-L235 PolarHBondContact O-N 2.91Å; D233-L235 VanDerWaalsContact C-N 3.34Å; D233-L235 PolarHBondContact O-N 2.94Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 2.75Å; L235-A238 PolarHBondContact O-N 2.86Å; L235-A238 VanDerWaalsContact O-N 3.15Å; L235-D239 PolarHBondContact O-N 3.34Å
236	K	93.1	Very high	92.6	Very high	115 Å²	115	75.1 Å²	75.1	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-39.1	176.4	-66.2	162.8	-155.5	163.5	0	111.8	Q232 D233 K240	Q232-K236 VanDerWaalsContact O-CE 3.29Å; Q232-K236 WeakPolarHBondContact O-CE 3.49Å; Q232-K236 VanDerWaalsContact O-CG 3.29Å; Q232-K236 WeakPolarHBondContact O-CG 3.46Å; Q232-K236 PolarHBondContact O-N 3.36Å; D233-K236 WeakPolarHBondContact O-CB 3.37Å; D233-K236 PolarHBondContact O-N 3.39Å; D233-K236 IonicContact OD1-NZ 2.67Å; D233-K236 PolarHBondContact OD1-NZ 3.22Å; K236-K240 WeakPolarHBondContact O-CG 3.38Å; K236-K240 PolarHBondContact O-N 3.35Å
237	T	91.6	Very high	92.2	Very high	10 Å²	10	79.7 Å²	79.7	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-71.9	-37.2	175.6	-71.8	0	0	0	0	112.2	L104 E107 L108 D233 G234 L235 D239 K240 L241	L104-T237 HydrophobicContact CD2-CG2 4.12Å; E107-T237 HydrophobicContact CB-CG2 3.93Å; E107-T237 WeakPolarHBondContact OE2-CG2 3.33Å; E107-T237 PolarHBondContact OE2-OG1 3.17Å; L108-T237 HydrophobicContact CD2-CG2 3.8Å; L108-T237 HydrophobicContact CG-CG2 3.93Å; D233-T237 PolarHBondContact O-N 3.41Å; G234-T237 PolarHBondContact O-N 3.39Å; L235-T237 VanDerWaalsContact C-N 3.29Å; L235-T237 PolarHBondContact O-N 2.75Å; T237-D239 PolarHBondContact O-N 2.94Å; T237-K240 WeakPolarHBondContact O-CB 3.34Å; T237-K240 PolarHBondContact O-N 3.45Å; T237-L241 PolarHBondContact O-N 3.48Å
238	A	89.5	Confident	92	Very high	41 Å²	41	78 Å²	78	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-36.1	173.5	0	0	0	0	0	113	G234 L235 L241 K242	G234-A238 WeakPolarHBondContact O-CB 3.5Å; G234-A238 PolarHBondContact O-N 3.39Å; L235-A238 PolarHBondContact O-N 2.86Å; L235-A238 VanDerWaalsContact O-N 3.15Å; A238-L241 WeakPolarHBondContact O-CB 3.36Å; A238-L241 PolarHBondContact O-N 3.28Å; A238-K242 PolarHBondContact O-N 3.02Å
239	D	90.4	Very high	91.8	Very high	80 Å²	80	77.6 Å²	77.6	43%	0.428	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-36.8	175	-80.4	-35.6	0	0	0	112.5	L235 T237 L241 K242 Q243	L235-D239 PolarHBondContact O-N 3.34Å; T237-D239 PolarHBondContact O-N 2.94Å; D239-L241 VanDerWaalsContact C-N 3.34Å; D239-K242 PolarHBondContact O-N 2.96Å; D239-Q243 PolarHBondContact O-N 2.75Å
240	K	86.4	Confident	91.6	Very high	100 Å²	100	76 Å²	76	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-47.4	169.8	-56.6	170.5	-169	172.3	0	110.7	L104 E107 K236 T237 K242 Q243 Y244	L104-K240 HydrophobicContact CD2-CB 4.49Å; L104-K240 HydrophobicContact CD2-CD 4.33Å; E107-K240 VanDerWaalsContact CD-NZ 3.32Å; E107-K240 IonicContact OE1-NZ 2.74Å; E107-K240 PolarHBondContact OE1-NZ 3.27Å; E107-K240 IonicContact OE2-NZ 3.22Å; E107-K240 PolarHBondContact OE2-NZ 3.18Å; K236-K240 WeakPolarHBondContact O-CG 3.38Å; K236-K240 PolarHBondContact O-N 3.35Å; T237-K240 WeakPolarHBondContact O-CB 3.34Å; T237-K240 PolarHBondContact O-N 3.45Å; K240-K242 PolarHBondContact O-N 3.2Å; K240-Q243 PolarHBondContact O-N 3.15Å; K240-Y244 PolarHBondContact O-N 3.49Å
241	L	86.6	Confident	91.3	Very high	39 Å²	39	76 Å²	76	20%	0.204	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-42.3	-177.4	175	61.5	0	0	0	111.2	F101 L104 T237 A238 D239 Q243 Y244 I245	F101-L241 HydrophobicContact CD1-CD1 3.84Å; F101-L241 HydrophobicContact CE1-CD1 3.72Å; L104-L241 HydrophobicContact CD1-CB 4.08Å; L104-L241 HydrophobicContact CD1-CD1 3.62Å; L104-L241 HydrophobicContact CD1-CG 4.42Å; T237-L241 PolarHBondContact O-N 3.48Å; A238-L241 WeakPolarHBondContact O-CB 3.36Å; A238-L241 PolarHBondContact O-N 3.28Å; D239-L241 VanDerWaalsContact C-N 3.34Å; L241-Q243 PolarHBondContact O-N 3.12Å; L241-Y244 PolarHBondContact O-N 3.2Å; L241-Y244 VanDerWaalsContact O-N 3.13Å; L241-I245 HydrophobicContact CD1-CD1 3.9Å; L241-I245 HydrophobicContact CD1-CG1 4.02Å; L241-I245 HydrophobicContact CD2-CD1 4.36Å; L241-I245 HydrophobicContact CG-CD1 3.76Å; L241-I245 HydrophobicContact CG-CG1 4.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.36Å
242	K	88.4	Confident	91	Very high	118 Å²	118	73.8 Å²	73.8	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-56	-51	177.2	-179.3	-176.4	167.7	-175.1	0	112.1	A238 D239 K240 Y244 I245 E246	A238-K242 PolarHBondContact O-N 3.02Å; D239-K242 PolarHBondContact O-N 2.96Å; K240-K242 PolarHBondContact O-N 3.2Å; K242-Y244 PolarHBondContact O-N 3Å; K242-I245 PolarHBondContact O-N 3.49Å; K242-E246 WeakPolarHBondContact CE-OE1 3.48Å; K242-E246 IonicContact NZ-OE1 3.45Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 2.77Å
243	Q	87.3	Confident	90.8	Very high	143 Å²	143	75.7 Å²	75.7	67%	0.668	38%	0.384	S	S	*	.	H	α-helix	trans	-60.2	-33.9	178.6	-65.7	176.6	14.6	0	0	112	D239 K240 L241 K247	D239-Q243 PolarHBondContact O-N 2.75Å; K240-Q243 PolarHBondContact O-N 3.15Å; L241-Q243 PolarHBondContact O-N 3.12Å; Q243-K247 PolarHBondContact O-N 3.21Å
244	Y	88.9	Confident	90.5	Very high	39 Å²	39	77.2 Å²	77.2	15%	0.153	39%	0.392	C	S	.	.	H	α-helix	trans	-72.4	-42.6	176.1	-177	-118.8	0	0	0	112.9	A97 K100 K240 L241 K242 E246 K247 L248	A97-Y244 WeakPolarHBondContact CA-OH 3.28Å; A97-Y244 WeakPolarHBondContact CB-OH 3.36Å; K100-Y244 HydrophobicContact CB-CD1 4.34Å; K100-Y244 HydrophobicContact CB-CE1 3.79Å; K100-Y244 HydrophobicContact CD-CD1 4.48Å; K100-Y244 HydrophobicContact CD-CD2 4.33Å; K100-Y244 HydrophobicContact CD-CE1 3.94Å; K100-Y244 HydrophobicContact CD-CE2 3.81Å; K240-Y244 PolarHBondContact O-N 3.49Å; L241-Y244 PolarHBondContact O-N 3.2Å; L241-Y244 VanDerWaalsContact O-N 3.13Å; K242-Y244 PolarHBondContact O-N 3Å; Y244-E246 VanDerWaalsContact C-N 3.35Å; Y244-E246 PolarHBondContact O-N 2.75Å; Y244-K247 PolarHBondContact O-N 3.43Å; Y244-L248 HydrophobicContact CE1-CD2 4.06Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 2.93Å
245	I	90.9	Very high	90.2	Very high	77 Å²	77	78 Å²	78	40%	0.395	39%	0.393	S	S	.	.	H	α-helix	trans	-60.4	-43.5	176.4	-70.3	169.3	0	0	0	111.1	F101 L241 K242 K247 L248 A249	F101-I245 HydrophobicContact CE1-CD1 4.28Å; F101-I245 HydrophobicContact CE1-CG1 4.04Å; F101-I245 HydrophobicContact CZ-CG1 4.13Å; L241-I245 HydrophobicContact CD1-CD1 3.9Å; L241-I245 HydrophobicContact CD1-CG1 4.02Å; L241-I245 HydrophobicContact CD2-CD1 4.36Å; L241-I245 HydrophobicContact CG-CD1 3.76Å; L241-I245 HydrophobicContact CG-CG1 4.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.35Å; L241-I245 PolarHBondContact O-N 3.36Å; K242-I245 PolarHBondContact O-N 3.49Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.3Å; I245-L248 PolarHBondContact O-N 3.13Å; I245-A249 WeakPolarHBondContact O-CB 3.1Å; I245-A249 PolarHBondContact O-N 3.27Å
246	E	90.8	Very high	90.1	Very high	119 Å²	119	79 Å²	79	56%	0.556	39%	0.393	S	S	*	.	H	α-helix	trans	-60.5	-38.9	179.8	-73.8	173.3	177	0	0	112.2	K242 Y244	K242-E246 WeakPolarHBondContact CE-OE1 3.48Å; K242-E246 IonicContact NZ-OE1 3.45Å; K242-E246 WeakPolarHBondContact O-CG 3.45Å; K242-E246 PolarHBondContact O-N 2.77Å; Y244-E246 VanDerWaalsContact C-N 3.35Å; Y244-E246 PolarHBondContact O-N 2.75Å
247	K	89.3	Confident	90.1	Very high	123 Å²	123	78.8 Å²	78.8	54%	0.535	39%	0.394	S	S	.	.	H	α-helix	trans	-69.8	-51.4	171.7	-167.2	-163.8	180	-90.5	0	111.6	Q243 Y244 I245 A249 A250 D251	Q243-K247 PolarHBondContact O-N 3.21Å; Y244-K247 PolarHBondContact O-N 3.43Å; I245-K247 VanDerWaalsContact C-N 3.32Å; I245-K247 PolarHBondContact O-N 3.3Å; K247-A249 PolarHBondContact O-N 3.37Å; K247-A250 WeakPolarHBondContact O-CB 3.48Å; K247-A250 PolarHBondContact O-N 2.63Å; K247-D251 VanDerWaalsContact NZ-CG 3.34Å; K247-D251 IonicContact NZ-OD1 2.65Å; K247-D251 PolarHBondContact NZ-OD1 3.03Å; K247-D251 IonicContact NZ-OD2 2.67Å; K247-D251 PolarHBondContact NZ-OD2 3.19Å; K247-D251 PolarHBondContact O-N 3.28Å; K247-D251 VanDerWaalsContact O-N 3.16Å
248	L	91.6	Very high	90.1	Very high	13 Å²	13	82 Å²	82	7%	0.068	41%	0.413	C	S	.	.	H	α-helix	trans	-59.6	-35.2	-174	179.7	64.3	0	0	0	112.1	A97 F101 Y244 I245 A250 D251 L252	A97-L248 HydrophobicContact CB-CD1 3.73Å; A97-L248 HydrophobicContact CB-CD2 3.82Å; A97-L248 HydrophobicContact CB-CG 4.45Å; F101-L248 HydrophobicContact CE2-CD2 3.51Å; F101-L248 HydrophobicContact CZ-CD2 3.88Å; Y244-L248 HydrophobicContact CE1-CD2 4.06Å; Y244-L248 WeakPolarHBondContact O-CB 3.4Å; Y244-L248 PolarHBondContact O-N 2.93Å; I245-L248 PolarHBondContact O-N 3.13Å; L248-A250 VanDerWaalsContact C-N 3.25Å; L248-A250 PolarHBondContact O-N 2.96Å; L248-D251 PolarHBondContact O-N 3.25Å; L248-L252 HydrophobicContact CD1-CD1 4.39Å; L248-L252 HydrophobicContact CD1-CG 4.05Å; L248-L252 HydrophobicContact CD2-CD1 4.42Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.06Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 VanDerWaalsContact O-CG 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.4Å
249	A	92.2	Very high	90	Very high	60 Å²	60	85.2 Å²	85.2	50%	0.496	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-32.8	176.3	0	0	0	0	0	113.2	I245 K247 Y253	I245-A249 WeakPolarHBondContact O-CB 3.1Å; I245-A249 PolarHBondContact O-N 3.27Å; K247-A249 PolarHBondContact O-N 3.37Å; A249-Y253 PolarHBondContact O-N 2.91Å
250	A	92.4	Very high	90.1	Very high	52 Å²	52	84.6 Å²	84.6	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-76.1	-43.6	173.6	0	0	0	0	0	111.6	K247 L248 L252 Y253 N254	K247-A250 WeakPolarHBondContact O-CB 3.48Å; K247-A250 PolarHBondContact O-N 2.63Å; L248-A250 VanDerWaalsContact C-N 3.25Å; L248-A250 PolarHBondContact O-N 2.96Å; A250-L252 VanDerWaalsContact C-N 3.34Å; A250-L252 PolarHBondContact O-N 3.07Å; A250-Y253 PolarHBondContact O-N 2.67Å; A250-N254 PolarHBondContact O-N 3.07Å; A250-N254 VanDerWaalsContact O-N 3.11Å; A250-N254 PolarHBondContact O-ND2 2.87Å
251	D	89.3	Confident	90.5	Very high	46 Å²	46	83.7 Å²	83.7	25%	0.246	42%	0.415	C	S	.	.	H	α-helix	trans	-59	-45	176.9	-60.7	-33.6	0	0	0	110.9	K247 L248 Y253 N254 I255	K247-D251 VanDerWaalsContact NZ-CG 3.34Å; K247-D251 IonicContact NZ-OD1 2.65Å; K247-D251 PolarHBondContact NZ-OD1 3.03Å; K247-D251 IonicContact NZ-OD2 2.67Å; K247-D251 PolarHBondContact NZ-OD2 3.19Å; K247-D251 PolarHBondContact O-N 3.28Å; K247-D251 VanDerWaalsContact O-N 3.16Å; L248-D251 PolarHBondContact O-N 3.25Å; D251-Y253 PolarHBondContact O-N 2.71Å; D251-N254 PolarHBondContact O-N 2.81Å; D251-I255 WeakPolarHBondContact O-CG1 3.41Å; D251-I255 PolarHBondContact O-N 2.94Å
252	L	90.6	Very high	90.8	Very high	80 Å²	80	86.6 Å²	86.6	42%	0.419	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-39.8	175.7	-73.2	172.9	0	0	0	113.3	L94 L248 A250 N254 K256	L94-L252 HydrophobicContact CD2-CD2 3.34Å; L248-L252 HydrophobicContact CD1-CD1 4.39Å; L248-L252 HydrophobicContact CD1-CG 4.05Å; L248-L252 HydrophobicContact CD2-CD1 4.42Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.06Å; L248-L252 WeakPolarHBondContact O-CB 3.4Å; L248-L252 VanDerWaalsContact O-CG 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.4Å; A250-L252 VanDerWaalsContact C-N 3.34Å; A250-L252 PolarHBondContact O-N 3.07Å; L252-N254 VanDerWaalsContact C-N 3.34Å; L252-K256 WeakPolarHBondContact O-CB 3.25Å; L252-K256 PolarHBondContact O-N 2.93Å
253	Y	91.9	Very high	90.9	Very high	154 Å²	154	87.2 Å²	87.2	60%	0.604	43%	0.431	S	S	*	.	H	α-helix	trans	-63	-43	176.8	179.5	-87.3	0	0	0	111.1	A249 A250 D251 K256 Q257	A249-Y253 PolarHBondContact O-N 2.91Å; A250-Y253 PolarHBondContact O-N 2.67Å; D251-Y253 PolarHBondContact O-N 2.71Å; Y253-K256 PolarHBondContact O-N 2.98Å; Y253-Q257 VanDerWaalsContact CE1-OE1 3.32Å; Y253-Q257 WeakPolarHBondContact O-CB 3.34Å; Y253-Q257 PolarHBondContact O-N 2.92Å
254	N	91.4	Very high	91.3	Very high	92 Å²	92	85.8 Å²	85.8	49%	0.492	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-47.2	178.4	-64.3	-29.1	0	0	0	111.8	A250 D251 L252 K256 Q257 T258	A250-N254 PolarHBondContact O-N 3.07Å; A250-N254 VanDerWaalsContact O-N 3.11Å; A250-N254 PolarHBondContact O-ND2 2.87Å; D251-N254 PolarHBondContact O-N 2.81Å; L252-N254 VanDerWaalsContact C-N 3.34Å; N254-K256 VanDerWaalsContact C-N 3.32Å; N254-K256 PolarHBondContact O-N 2.99Å; N254-Q257 PolarHBondContact O-N 2.9Å; N254-Q257 VanDerWaalsContact O-N 3.13Å; N254-T258 PolarHBondContact O-N 2.81Å; N254-T258 PolarHBondContact O-OG1 2.93Å
255	I	88.6	Confident	91.6	Very high	30 Å²	30	89.7 Å²	89.7	15%	0.154	44%	0.442	C	S	.	.	H	α-helix	trans	-57.2	-46.4	177.4	-68.4	166.2	0	0	0	110.6	L94 D251 Q257 T258 Q259	L94-I255 HydrophobicContact CD1-CG2 4.43Å; L94-I255 HydrophobicContact CD2-CD1 3.77Å; L94-I255 HydrophobicContact CG-CD1 4.09Å; D251-I255 WeakPolarHBondContact O-CG1 3.41Å; D251-I255 PolarHBondContact O-N 2.94Å; I255-Q257 PolarHBondContact O-N 3.42Å; I255-T258 PolarHBondContact O-N 2.96Å; I255-Q259 PolarHBondContact O-N 3.41Å; I255-Q259 VanDerWaalsContact O-N 3.13Å
256	K	90.4	Very high	91.5	Very high	128 Å²	128	91.5 Å²	91.5	56%	0.557	45%	0.452	S	S	*	.	H	α-helix	trans	-62.6	-42.1	176.3	-179.7	173.5	177.9	176.3	0	112.3	L252 Y253 N254 T258 Q259 D260	L252-K256 WeakPolarHBondContact O-CB 3.25Å; L252-K256 PolarHBondContact O-N 2.93Å; Y253-K256 PolarHBondContact O-N 2.98Å; N254-K256 VanDerWaalsContact C-N 3.32Å; N254-K256 PolarHBondContact O-N 2.99Å; K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 2.89Å; K256-Q259 PolarHBondContact O-N 3.48Å; K256-D260 WeakPolarHBondContact CE-OD2 3.26Å; K256-D260 WeakPolarHBondContact O-CB 3.44Å; K256-D260 PolarHBondContact O-N 2.81Å
257	Q	94	Very high	91.4	Very high	110 Å²	110	88.5 Å²	88.5	51%	0.514	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-37.7	179.3	-177.8	173.4	-25.6	0	0	111.9	Y253 N254 I255 E261	Y253-Q257 VanDerWaalsContact CE1-OE1 3.32Å; Y253-Q257 WeakPolarHBondContact O-CB 3.34Å; Y253-Q257 PolarHBondContact O-N 2.92Å; N254-Q257 PolarHBondContact O-N 2.9Å; N254-Q257 VanDerWaalsContact O-N 3.13Å; I255-Q257 PolarHBondContact O-N 3.42Å; Q257-E261 PolarHBondContact O-N 3.15Å
258	T	90.8	Very high	91.5	Very high	77 Å²	77	85.7 Å²	85.7	47%	0.472	44%	0.441	S	S	.	.	H	α-helix	trans	-62.4	-51.2	172.8	-56.4	0	0	0	0	111.2	N254 I255 K256 D260 E261 E262	N254-T258 PolarHBondContact O-N 2.81Å; N254-T258 PolarHBondContact O-OG1 2.93Å; I255-T258 PolarHBondContact O-N 2.96Å; K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 2.89Å; T258-D260 PolarHBondContact O-N 2.79Å; T258-E261 WeakPolarHBondContact O-CA 3.06Å; T258-E261 WeakPolarHBondContact O-CB 3.29Å; T258-E261 PolarHBondContact O-N 2.83Å; T258-E262 HydrophobicContact CG2-CG 4.36Å; T258-E262 WeakPolarHBondContact O-CG 3.47Å; T258-E262 PolarHBondContact O-N 2.72Å
259	Q	88	Confident	91.5	Very high	109 Å²	109	89.3 Å²	89.3	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-39.6	179.6	-70.4	179.9	-25.6	0	0	113.1	I255 K256 E261 K263	I255-Q259 PolarHBondContact O-N 3.41Å; I255-Q259 VanDerWaalsContact O-N 3.13Å; K256-Q259 PolarHBondContact O-N 3.48Å; Q259-E261 PolarHBondContact O-N 3.07Å; Q259-K263 WeakPolarHBondContact O-CB 3.43Å; Q259-K263 PolarHBondContact O-N 2.86Å
260	D	92.8	Very high	91.5	Very high	68 Å²	68	92 Å²	92	36%	0.364	46%	0.457	S	S	.	.	H	α-helix	trans	-67	-23.7	174.9	-86.8	-36.7	0	0	0	112.1	K256 T258 K264	K256-D260 WeakPolarHBondContact CE-OD2 3.26Å; K256-D260 WeakPolarHBondContact O-CB 3.44Å; K256-D260 PolarHBondContact O-N 2.81Å; T258-D260 PolarHBondContact O-N 2.79Å; D260-K264 VanDerWaalsContact O-CE 3.27Å; D260-K264 WeakPolarHBondContact O-CE 3.45Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.29Å
261	E	94.9	Very high	91.3	Very high	80 Å²	80	92.4 Å²	92.4	37%	0.374	45%	0.453	S	S	.	.	H	α-helix	trans	-84.7	-45.1	174.5	-165.8	60.3	-132.8	0	0	112.4	Q257 T258 Q259 K263 K264 Q265	Q257-E261 PolarHBondContact O-N 3.15Å; T258-E261 WeakPolarHBondContact O-CA 3.06Å; T258-E261 WeakPolarHBondContact O-CB 3.29Å; T258-E261 PolarHBondContact O-N 2.83Å; Q259-E261 PolarHBondContact O-N 3.07Å; E261-K263 PolarHBondContact O-N 2.68Å; E261-K264 WeakPolarHBondContact O-CA 3.39Å; E261-K264 WeakPolarHBondContact O-CB 3.24Å; E261-K264 PolarHBondContact O-N 3.28Å; E261-K264 IonicContact OE2-NZ 2.77Å; E261-K264 PolarHBondContact OE2-NZ 3.49Å; E261-Q265 WeakPolarHBondContact O-CG 3.47Å; E261-Q265 PolarHBondContact O-N 3.21Å
262	E	92.6	Very high	91.4	Very high	100 Å²	100	95.8 Å²	95.8	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-52.8	-43.9	171	-70.2	168.8	163.3	0	0	110.8	T258 K264 Q265 L266	T258-E262 HydrophobicContact CG2-CG 4.36Å; T258-E262 WeakPolarHBondContact O-CG 3.47Å; T258-E262 PolarHBondContact O-N 2.72Å; E262-K264 VanDerWaalsContact C-N 3.34Å; E262-K264 PolarHBondContact O-N 3.34Å; E262-Q265 PolarHBondContact O-N 3.13Å; E262-L266 WeakPolarHBondContact O-CB 3.42Å; E262-L266 WeakPolarHBondContact O-CG 3.14Å; E262-L266 PolarHBondContact O-N 3.16Å
263	K	91.5	Very high	91	Very high	132 Å²	132	96 Å²	96	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-60.3	-36.6	174.5	-178.2	176.7	177.6	-179.5	0	113.5	Q259 E261 T267	Q259-K263 WeakPolarHBondContact O-CB 3.43Å; Q259-K263 PolarHBondContact O-N 2.86Å; E261-K263 PolarHBondContact O-N 2.68Å; K263-T267 VanDerWaalsContact O-CB 3.28Å; K263-T267 WeakPolarHBondContact O-CB 3.45Å; K263-T267 PolarHBondContact O-N 3.12Å; K263-T267 PolarHBondContact O-OG1 3.47Å
264	K	94.6	Very high	90.4	Very high	113 Å²	113	94 Å²	94	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-68	-44.3	173.1	-69.4	168.7	-145	158.6	0	110.9	D260 E261 E262 T267 A268	D260-K264 VanDerWaalsContact O-CE 3.27Å; D260-K264 WeakPolarHBondContact O-CE 3.45Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.29Å; E261-K264 WeakPolarHBondContact O-CA 3.39Å; E261-K264 WeakPolarHBondContact O-CB 3.24Å; E261-K264 PolarHBondContact O-N 3.28Å; E261-K264 IonicContact OE2-NZ 2.77Å; E261-K264 PolarHBondContact OE2-NZ 3.49Å; E262-K264 VanDerWaalsContact C-N 3.34Å; E262-K264 PolarHBondContact O-N 3.34Å; K264-T267 WeakPolarHBondContact O-CB 3.48Å; K264-T267 PolarHBondContact O-N 2.85Å; K264-A268 WeakPolarHBondContact O-CB 3.37Å; K264-A268 PolarHBondContact O-N 3.41Å
265	Q	95.3	Very high	89.8	Confident	120 Å²	120	93 Å²	93	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-61.9	-46.6	179.4	-65.4	175.8	24.8	0	0	111.2	E261 E262 T267 A268 L269	E261-Q265 WeakPolarHBondContact O-CG 3.47Å; E261-Q265 PolarHBondContact O-N 3.21Å; E262-Q265 PolarHBondContact O-N 3.13Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 3.47Å; Q265-A268 PolarHBondContact O-N 3.18Å; Q265-L269 VanDerWaalsContact O-CB 3.3Å; Q265-L269 WeakPolarHBondContact O-CB 3.33Å; Q265-L269 PolarHBondContact O-N 3.16Å
266	L	88.6	Confident	89.1	Confident	116 Å²	116	94.9 Å²	94.9	61%	0.607	48%	0.481	S	S	*	.	H	α-helix	trans	-61.5	-38.1	173.3	-69.8	170.5	0	0	0	112.5	E262 R270	E262-L266 WeakPolarHBondContact O-CB 3.42Å; E262-L266 WeakPolarHBondContact O-CG 3.14Å; E262-L266 PolarHBondContact O-N 3.16Å; L266-R270 VanDerWaalsContact O-CB 3.26Å; L266-R270 WeakPolarHBondContact O-CB 3.41Å; L266-R270 PolarHBondContact O-N 3.03Å
267	T	88.1	Confident	88	Confident	55 Å²	55	95.2 Å²	95.2	34%	0.337	49%	0.489	S	S	.	.	H	α-helix	trans	-65.2	-45.7	175.9	-62.3	0	0	0	0	111.5	K263 K264 Q265 R270 D271	K263-T267 VanDerWaalsContact O-CB 3.28Å; K263-T267 WeakPolarHBondContact O-CB 3.45Å; K263-T267 PolarHBondContact O-N 3.12Å; K263-T267 PolarHBondContact O-OG1 3.47Å; K264-T267 WeakPolarHBondContact O-CB 3.48Å; K264-T267 PolarHBondContact O-N 2.85Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 3.47Å; T267-R270 WeakPolarHBondContact O-CB 3.04Å; T267-R270 PolarHBondContact O-N 3.38Å; T267-D271 PolarHBondContact O-N 2.95Å; T267-D271 VanDerWaalsContact O-N 3.14Å
268	A	92.1	Very high	86.3	Confident	64 Å²	64	97.3 Å²	97.3	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-41.6	177.4	0	0	0	0	0	112	K264 Q265 D271 L272	K264-A268 WeakPolarHBondContact O-CB 3.37Å; K264-A268 PolarHBondContact O-N 3.41Å; Q265-A268 PolarHBondContact O-N 3.18Å; A268-D271 PolarHBondContact O-N 3.4Å; A268-L272 WeakPolarHBondContact O-CB 3.4Å; A268-L272 PolarHBondContact O-N 2.68Å
269	L	90.9	Very high	84.3	Confident	90 Å²	90	100.2 Å²	100.2	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-44.8	175.9	179.1	60	0	0	0	111.6	Q265 D271 L272 I273	Q265-L269 VanDerWaalsContact O-CB 3.3Å; Q265-L269 WeakPolarHBondContact O-CB 3.33Å; Q265-L269 PolarHBondContact O-N 3.16Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 3.38Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-I273 HydrophobicContact CD1-CD1 3.96Å; L269-I273 HydrophobicContact CD1-CG1 4.28Å; L269-I273 HydrophobicContact CG-CD1 3.89Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.23Å; L269-I273 PolarHBondContact O-N 3.33Å
270	R	92.4	Very high	82.1	Confident	115 Å²	115	102.7 Å²	102.7	43%	0.434	53%	0.527	S	S	.	.	H	α-helix	trans	-54.9	-45.1	173.5	178.1	-158	73.3	-157.7	-1.8	111.6	L266 T267 I273 K274	L266-R270 VanDerWaalsContact O-CB 3.26Å; L266-R270 WeakPolarHBondContact O-CB 3.41Å; L266-R270 PolarHBondContact O-N 3.03Å; T267-R270 WeakPolarHBondContact O-CB 3.04Å; T267-R270 PolarHBondContact O-N 3.38Å; R270-I273 PolarHBondContact O-N 3.1Å; R270-K274 HydrophobicContact CG-CD 4.49Å; R270-K274 WeakPolarHBondContact O-CG 3.37Å; R270-K274 PolarHBondContact O-N 2.75Å
271	D	89.1	Confident	79.8	Confident	61 Å²	61	108 Å²	108	33%	0.326	55%	0.55	S	S	.	.	H	α-helix	trans	-77.8	-28.7	-176.1	-66	-20.4	0	0	0	112.5	T267 A268 L269 K274 S275	T267-D271 PolarHBondContact O-N 2.95Å; T267-D271 VanDerWaalsContact O-N 3.14Å; A268-D271 PolarHBondContact O-N 3.4Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 3.38Å; D271-K274 IonicContact OD1-NZ 2.77Å; D271-S275 WeakPolarHBondContact O-CB 3.48Å; D271-S275 PolarHBondContact O-N 2.84Å; D271-S275 PolarHBondContact O-OG 3.11Å
272	L	91.2	Very high	77.4	Confident	118 Å²	118	113.7 Å²	113.7	62%	0.618	57%	0.573	S	S	*	*	H	α-helix	trans	-62.9	-48.2	166.7	-176.2	66.4	0	0	0	111.4	A268 L269 K274 S275 S276	A268-L272 WeakPolarHBondContact O-CB 3.4Å; A268-L272 PolarHBondContact O-N 2.68Å; L269-L272 PolarHBondContact O-N 3.43Å; L272-K274 PolarHBondContact O-N 2.74Å; L272-S275 WeakPolarHBondContact O-CB 3.43Å; L272-S275 PolarHBondContact O-N 3.36Å; L272-S275 VanDerWaalsContact O-N 3.07Å; L272-S276 PolarHBondContact O-N 2.97Å
273	I	82.9	Confident	74.8	Confident	84 Å²	84	118.2 Å²	118.2	43%	0.431	59%	0.594	S	S	.	*	H	α-helix	trans	-61.8	-44.3	177.9	-69.1	165.8	0	0	0	111	L269 R270 S275 S276 L277	L269-I273 HydrophobicContact CD1-CD1 3.96Å; L269-I273 HydrophobicContact CD1-CG1 4.28Å; L269-I273 HydrophobicContact CG-CD1 3.89Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.23Å; L269-I273 PolarHBondContact O-N 3.33Å; R270-I273 PolarHBondContact O-N 3.1Å; I273-S275 PolarHBondContact O-N 3.14Å; I273-S276 PolarHBondContact O-N 2.88Å; I273-S276 PolarHBondContact O-OG 3.43Å; I273-L277 HydrophobicContact CG2-CD1 4.01Å; I273-L277 VanDerWaalsContact O-CG 3.31Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 3.44Å; I273-L277 VanDerWaalsContact O-N 3.11Å
274	K	78.4	Confident	71.9	Confident	111 Å²	111	119.7 Å²	119.7	48%	0.483	61%	0.609	S	S	.	*	H	α-helix	trans	-58.2	-36.2	172.7	-78	176.7	176.4	-179.3	0	112.6	R270 D271 L272	R270-K274 HydrophobicContact CG-CD 4.49Å; R270-K274 WeakPolarHBondContact O-CG 3.37Å; R270-K274 PolarHBondContact O-N 2.75Å; D271-K274 IonicContact OD1-NZ 2.77Å; L272-K274 PolarHBondContact O-N 2.74Å
275	S	78.3	Confident	69.5	Low	72 Å²	72	119.5 Å²	119.5	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-72.9	-39.2	179.6	-57.1	0	0	0	0	112	D271 L272 I273 L277 Q278	D271-S275 WeakPolarHBondContact O-CB 3.48Å; D271-S275 PolarHBondContact O-N 2.84Å; D271-S275 PolarHBondContact O-OG 3.11Å; L272-S275 WeakPolarHBondContact O-CB 3.43Å; L272-S275 PolarHBondContact O-N 3.36Å; L272-S275 VanDerWaalsContact O-N 3.07Å; I273-S275 PolarHBondContact O-N 3.14Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-L277 PolarHBondContact O-N 3.42Å; S275-Q278 PolarHBondContact O-N 2.93Å
276	S	75.4	Confident	66.5	Low	69 Å²	69	122.9 Å²	122.9	48%	0.483	64%	0.637	S	S	.	*	H	α-helix	trans	-68	-30.8	175.7	56.1	0	0	0	0	112.8	L272 I273 Q278	L272-S276 PolarHBondContact O-N 2.97Å; I273-S276 PolarHBondContact O-N 2.88Å; I273-S276 PolarHBondContact O-OG 3.43Å; S276-Q278 PolarHBondContact O-N 3.12Å
277	L	65.8	Low	63.7	Low	136 Å²	136	122.3 Å²	122.3	71%	0.712	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-1.8	175.7	-70.2	168.2	0	0	0	114.5	I273 S275	I273-L277 HydrophobicContact CG2-CD1 4.01Å; I273-L277 VanDerWaalsContact O-CG 3.31Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 3.44Å; I273-L277 VanDerWaalsContact O-N 3.11Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-L277 PolarHBondContact O-N 3.42Å
278	Q	58	Low	61	Low	154 Å²	154	128 Å²	128	72%	0.72	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	3.7	178.8	-70.1	-178.8	1.7	0	0	114.2	S275 S276	S275-Q278 PolarHBondContact O-N 2.93Å; S276-Q278 PolarHBondContact O-N 3.12Å
279	L	48.7	Very low	58.1	Low	137 Å²	137	133.2 Å²	133.2	72%	0.717	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-26.7	-173.7	-77.1	165.4	0	0	0	114.7	Q281	L279-Q281 VanDerWaalsContact C-N 3.34Å; L279-Q281 PolarHBondContact O-N 2.93Å
280	D	42.7	Very low	55.5	Low	161 Å²	161	132.8 Å²	132.8	86%	0.861	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	9	-172.8	-65.1	-34.1	0	0	0	115.1
281	Q	45.3	Very low	52.4	Low	181 Å²	181	130.8 Å²	130.8	85%	0.846	71%	0.709	S	S	*	*			trans	-109.9	48.6	-179.8	-68.2	-164.8	2.6	0	0	114	L279	L279-Q281 VanDerWaalsContact C-N 3.34Å; L279-Q281 PolarHBondContact O-N 2.93Å
282	K	44.3	Very low	49.6	Very low	199 Å²	199	139.1 Å²	139.1	87%	0.865	74%	0.737	S	S	*	*			trans	-143.3	74.3	167.4	-76.3	-164	176.2	179.1	0	113.8
283	E	36.5	Very low	46.7	Very low	194 Å²	194	138 Å²	138	91%	0.907	74%	0.739	S	S	*	*	S	Bend	trans	-144.4	143.6	143	-140	161.6	-149.8	0	0	112.8
284	D	31.7	Very low	44.4	Very low	164 Å²	164	141.5 Å²	141.5	88%	0.877	76%	0.755	S	S	*	*			trans	51.2	147.1	178.5	-101.7	-31.1	0	0	0	123
285	S	43.3	Very low	42.6	Very low	108 Å²	108	144 Å²	144	76%	0.755	77%	0.768	S	S	*	*			trans	-121.6	103.8	-173	-67.3	0	0	0	0	112.3
286	Q	34.1	Very low	41.4	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	77%	0.767	S	S	*	*			trans	-161.8	138.7	158.2	-120.3	162.5	83.6	0	0	116.4
287	S	29.3	Very low	40.5	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	77%	0.773	S	S	*	*			trans	81.6	152.7	157.8	86.4	0	0	0	0	120.6
288	K	31.6	Very low	40.2	Very low	173 Å²	173	148.7 Å²	148.7	75%	0.752	78%	0.775	S	S	*	*			trans	74.9	111.1	161.7	-65	-176.5	-179	178.8	0	120.6
289	Q	29.9	Very low	40.7	Very low	174 Å²	174	141.9 Å²	141.9	81%	0.813	75%	0.746	S	S	*	*				53.3	120.4	126.3	-63.9	168.9	-80.3	0	0	118.7	G291	Q289-G291 PolarHBondContact O-N 2.91Å
290	G	37.7	Very low	42.2	Very low	82 Å²	82	138.4 Å²	138.4	85%	0.845	73%	0.728	S	S	*	*			trans	-67.7	113.3	178	0	0	0	0	0	113.6
291	G	26.3	Very low	43.9	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-82.3	142.2	153.2	0	0	0	0	0	110.2	Q289 S293	Q289-G291 PolarHBondContact O-N 2.91Å; G291-S293 PolarHBondContact O-N 3.49Å
292	Y	29.7	Very low	45.6	Very low	237 Å²	237	136.1 Å²	136.1	93%	0.929	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-74.1	118	-179	-78.2	-103.3	0	0	0	111
293	S	31.9	Very low	47.5	Very low	93 Å²	93	130.2 Å²	130.2	65%	0.65	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-76.7	124.9	171.1	-174.2	0	0	0	0	110.5	G291 H295	G291-S293 PolarHBondContact O-N 3.49Å; S293-H295 PolarHBondContact O-N 3.28Å
294	M	34.2	Very low	50	Low	158 Å²	158	122.6 Å²	122.6	78%	0.778	66%	0.658	S	S	*	*			trans	-80.5	86.6	-177	-145.9	-65.2	-76.6	0	0	109.9
295	H	40.8	Very low	52.8	Low	163 Å²	163	115.9 Å²	115.9	76%	0.755	62%	0.624	S	S	*	*			trans	-121.5	93.1	175.1	-78.5	21.1	0	0	0	109.9	S293	S293-H295 PolarHBondContact O-N 3.28Å
296	Q	52.4	Low	55.1	Low	100 Å²	100	115.3 Å²	115.3	47%	0.467	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-67.5	129.6	167	-174.6	172.1	-25.9	0	0	108.9	Q298	Q296-Q298 PolarHBondContact O-N 3.16Å
297	L	55.7	Low	58	Low	116 Å²	116	107.9 Å²	107.9	61%	0.607	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-54.4	134.1	172.4	-67.1	170	0	0	0	109.2	P357 T392	L297-P357 HydrophobicContact CD1-CG 4.35Å; L297-T392 WeakPolarHBondContact O-CG2 3.15Å
298	Q	60.4	Low	61.1	Low	161 Å²	161	109.3 Å²	109.3	75%	0.752	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-94.9	133.4	172.3	-69.3	-177.8	-6.6	0	0	109.4	Q296	Q296-Q298 PolarHBondContact O-N 3.16Å
299	G	68.8	Low	64.1	Low	11 Å²	11	101.9 Å²	101.9	11%	0.113	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-77.3	156.5	176.5	0	0	0	0	0	111.6	K301 N393	G299-K301 PolarHBondContact O-N 3.31Å; G299-N393 VanDerWaalsContact CA-OD1 3.31Å; G299-N393 WeakPolarHBondContact CA-OD1 3.29Å; G299-N393 PolarHBondContact O-OD1 3.34Å
300	N	79.7	Confident	67.1	Low	64 Å²	64	98.4 Å²	98.4	34%	0.342	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-70.7	117.8	168.2	-179.2	3.3	0	0	0	108.9	E302 F303 S389 N393	N300-E302 PolarHBondContact ND2-OE2 2.94Å; N300-E302 PolarHBondContact O-N 3.14Å; N300-E302 WeakPolarHBondContact OD1-CB 3.33Å; N300-E302 WeakPolarHBondContact OD1-CG 3.36Å; N300-E302 PolarHBondContact OD1-N 2.97Å; N300-F303 HydrophobicContact CB-CD2 3.81Å; N300-F303 HydrophobicContact CB-CE2 3.83Å; N300-F303 PolarHBondContact O-N 3.07Å; N300-S389 PolarHBondContact N-OG 2.94Å; N300-N393 PolarHBondContact O-ND2 2.88Å
301	K	79.1	Confident	69.8	Low	127 Å²	127	94.6 Å²	94.6	55%	0.552	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.7	-175.9	-56.1	-162.5	173.6	-161.8	0	113.2	G299 F303 G304 E396	G299-K301 PolarHBondContact O-N 3.31Å; K301-F303 PolarHBondContact O-N 3.06Å; K301-G304 PolarHBondContact O-N 3.05Å; K301-E396 IonicContact NZ-OE1 2.74Å; K301-E396 PolarHBondContact NZ-OE1 3.32Å; K301-E396 IonicContact NZ-OE2 2.64Å; K301-E396 PolarHBondContact NZ-OE2 2.7Å
302	E	80.5	Confident	73	Confident	167 Å²	167	93.2 Å²	93.2	78%	0.78	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-60.7	-24.2	173.9	-65	178.9	131.9	0	0	113.6	N300	N300-E302 PolarHBondContact ND2-OE2 2.94Å; N300-E302 PolarHBondContact O-N 3.14Å; N300-E302 WeakPolarHBondContact OD1-CB 3.33Å; N300-E302 WeakPolarHBondContact OD1-CG 3.36Å; N300-E302 PolarHBondContact OD1-N 2.97Å
303	F	84.5	Confident	75.9	Confident	75 Å²	75	83 Å²	83	33%	0.329	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-88	-5.5	179.7	-58	-55.9	0	0	0	114.2	N300 K301 V385 I386 V390	N300-F303 HydrophobicContact CB-CD2 3.81Å; N300-F303 HydrophobicContact CB-CE2 3.83Å; N300-F303 PolarHBondContact O-N 3.07Å; K301-F303 PolarHBondContact O-N 3.06Å; F303-V385 HydrophobicContact CE2-CG1 4.19Å; F303-I386 HydrophobicContact CB-CG2 4.34Å; F303-I386 HydrophobicContact CD1-CG1 3.88Å; F303-I386 HydrophobicContact CD1-CG2 4.24Å; F303-I386 HydrophobicContact CE1-CD1 4.36Å; F303-I386 HydrophobicContact CE1-CG1 3.71Å; F303-I386 HydrophobicContact CE2-CG1 4.36Å; F303-I386 HydrophobicContact CG-CG1 4.3Å; F303-I386 HydrophobicContact CG-CG2 4.26Å; F303-I386 HydrophobicContact CZ-CG1 3.96Å; F303-V390 HydrophobicContact CB-CG2 3.99Å; F303-V390 WeakPolarHBondContact O-CG2 3.25Å
304	G	88.3	Confident	78.7	Confident	34 Å²	34	81.5 Å²	81.5	35%	0.351	40%	0.398	S	S	.	.			trans	68.3	-168.1	-179.4	0	0	0	0	0	114.5	K301 N393	K301-G304 PolarHBondContact O-N 3.05Å; G304-N393 VanDerWaalsContact O-CB 3.26Å; G304-N393 WeakPolarHBondContact O-CB 3.45Å; G304-N393 PolarHBondContact O-ND2 2.95Å
305	S	89.7	Confident	80.9	Confident	22 Å²	22	75 Å²	75	15%	0.154	37%	0.368	C	S	.	.	S	Bend	trans	-116.4	-0.8	-173	54	0	0	0	0	114.5	V329 S394 E397	S305-V329 WeakPolarHBondContact O-CG1 3.31Å; S305-S394 WeakPolarHBondContact O-CB 3.49Å; S305-S394 PolarHBondContact O-OG 3.06Å; S305-E397 WeakPolarHBondContact CB-OE2 3.05Å; S305-E397 PolarHBondContact OG-OE2 2.68Å
306	E	93.2	Very high	82.1	Confident	97 Å²	97	70.1 Å²	70.1	45%	0.453	35%	0.347	S	S	.	.			trans	-122.4	138.2	173.2	-57.9	-163.2	-176.9	0	0	111.3	V329 K330	E306-V329 WeakPolarHBondContact CA-O 3.41Å; E306-K330 HydrophobicContact CG-CB 4.49Å; E306-K330 HydrophobicContact CG-CG 4.43Å; E306-K330 WeakPolarHBondContact OE1-CG 3.45Å; E306-K330 IonicContact OE1-NZ 3.16Å; E306-K330 PolarHBondContact OE1-NZ 3.32Å; E306-K330 IonicContact OE2-NZ 2.73Å; E306-K330 PolarHBondContact OE2-NZ 3.42Å
307	K	94.3	Very high	82.5	Confident	35 Å²	35	67.7 Å²	67.7	15%	0.152	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	140.8	173	177.9	173.2	169.3	82	0	110.7	S328 V329 E383 I386 W387 V390	K307-S328 CarbonylContact O-C 3.26Å; K307-S328 WeakPolarHBondContact O-CA 3.44Å; K307-V329 PolarHBondContact N-O 2.8Å; K307-V329 PolarHBondContact O-N 3.44Å; K307-E383 VanDerWaalsContact CE-OE2 3.23Å; K307-E383 WeakPolarHBondContact CE-OE2 3.36Å; K307-E383 IonicContact NZ-OE1 3.49Å; K307-E383 PolarHBondContact NZ-OE1 2.81Å; K307-E383 IonicContact NZ-OE2 2.7Å; K307-E383 PolarHBondContact NZ-OE2 3.39Å; K307-I386 HydrophobicContact CD-CG2 3.72Å; K307-W387 HydrophobicContact CD-CD2 3.92Å; K307-W387 HydrophobicContact CD-CE3 4.12Å; K307-W387 HydrophobicContact CD-CG 4.38Å; K307-W387 HydrophobicContact CD-CH2 4.41Å; K307-W387 HydrophobicContact CD-CZ2 4.23Å; K307-W387 HydrophobicContact CD-CZ3 4.36Å; K307-W387 HydrophobicContact CG-CH2 4.1Å; K307-W387 HydrophobicContact CG-CZ2 4.2Å; K307-W387 HydrophobicContact CG-CZ3 4.27Å; K307-V390 HydrophobicContact CB-CB 4.25Å; K307-V390 HydrophobicContact CB-CG1 3.74Å; K307-V390 HydrophobicContact CB-CG2 4.11Å; K307-V390 HydrophobicContact CD-CG2 4.21Å
308	K	95.2	Very high	82.1	Confident	134 Å²	134	69.8 Å²	69.8	58%	0.583	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.7	171.1	-173.3	169.5	-179.6	172.5	0	110.1	Q326 C327	K308-Q326 VanDerWaalsContact CE-CD 3.42Å; K308-C327 WeakPolarHBondContact CA-O 3.3Å
309	G	93.2	Very high	82.1	Confident	18 Å²	18	72.2 Å²	72.2	19%	0.186	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	-154.5	-178.5	0	0	0	0	0	112.6	Q326 C327	G309-Q326 WeakPolarHBondContact O-CA 3.43Å; G309-C327 PolarHBondContact N-O 2.69Å; G309-C327 PolarHBondContact O-N 3.08Å
310	Y	93.4	Very high	82.5	Confident	101 Å²	101	79 Å²	79	40%	0.396	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.3	176	-67.4	-81.2	0	0	0	110.9	R324 R325 Q326	Y310-R324 HydrophobicContact CD1-CG 4.1Å; Y310-R324 HydrophobicContact CG-CG 4.32Å; Y310-R325 WeakPolarHBondContact CA-O 3.41Å; Y310-Q326 HydrophobicContact CD1-CB 4.11Å; Y310-Q326 HydrophobicContact CE1-CB 3.76Å; Y310-Q326 HydrophobicContact CE1-CG 4.31Å; Y310-Q326 PolarHBondContact OH-NE2 3.18Å
311	L	94.3	Very high	82.7	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.3	167.9	-71.6	170.5	0	0	0	108.2	R325 C327 F365 F376 A378 W387	L311-R325 PolarHBondContact N-O 3.32Å; L311-R325 PolarHBondContact O-N 3.48Å; L311-C327 HydrophobicContact CD1-CB 4.2Å; L311-F365 HydrophobicContact CD1-CE1 4.43Å; L311-F365 HydrophobicContact CD1-CZ 3.81Å; L311-F365 HydrophobicContact CD2-CE1 4.15Å; L311-F365 HydrophobicContact CD2-CZ 4.35Å; L311-F376 HydrophobicContact CB-CD1 3.8Å; L311-F376 HydrophobicContact CB-CE1 4.36Å; L311-F376 HydrophobicContact CD1-CB 4.46Å; L311-F376 HydrophobicContact CD1-CD1 3.95Å; L311-F376 HydrophobicContact CD1-CE1 4.34Å; L311-F376 HydrophobicContact CD1-CG 4.17Å; L311-A378 HydrophobicContact CD2-CB 4.22Å; L311-W387 HydrophobicContact CD1-CD2 3.99Å; L311-W387 HydrophobicContact CD1-CE3 4.11Å; L311-W387 HydrophobicContact CD1-CG 4.47Å; L311-W387 HydrophobicContact CD1-CZ2 4.42Å; L311-W387 HydrophobicContact CD1-CZ3 4.38Å; L311-W387 HydrophobicContact CD2-CD2 4.14Å; L311-W387 HydrophobicContact CD2-CG 3.98Å; L311-W387 HydrophobicContact CG-CD2 4.19Å; L311-W387 HydrophobicContact CG-CZ2 4.17Å
312	L	92.8	Very high	83.2	Confident	43 Å²	43	77.6 Å²	77.6	23%	0.225	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.6	166.9	-65.8	85.9	0	0	0	107.9	W322 Q323 F376 Q377 E379	L312-W322 HydrophobicContact CB-CB 4.33Å; L312-W322 HydrophobicContact CB-CE3 4.06Å; L312-W322 HydrophobicContact CD2-CB 4.04Å; L312-W322 WeakPolarHBondContact O-CZ3 2.97Å; L312-Q323 CarbonylContact C-O 3.52Å; L312-Q323 WeakPolarHBondContact CA-O 3.44Å; L312-F376 CarbonylContact O-C 3.21Å; L312-F376 VanDerWaalsContact O-CA 3.3Å; L312-F376 WeakPolarHBondContact O-CA 3.05Å; L312-Q377 HydrophobicContact CB-CB 4.34Å; L312-Q377 PolarHBondContact N-O 2.89Å; L312-Q377 PolarHBondContact O-N 3.06Å; L312-E379 HydrophobicContact CD1-CG 4.41Å
313	K	92.6	Very high	83.5	Confident	23 Å²	23	73.2 Å²	73.2	10%	0.1	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.4	167.5	-165.2	-155.1	173.2	-86.7	0	108.9	D316 Q323 R325 Y374 H375 F376	K313-D316 IonicContact NZ-OD1 2.63Å; K313-D316 PolarHBondContact NZ-OD1 3.44Å; K313-D316 IonicContact NZ-OD2 2.71Å; K313-D316 PolarHBondContact NZ-OD2 3.26Å; K313-Q323 PolarHBondContact N-O 3.24Å; K313-Q323 PolarHBondContact O-N 3.29Å; K313-R325 HydrophobicContact CB-CG 3.98Å; K313-Y374 HydrophobicContact CD-CD1 4.19Å; K313-H375 WeakPolarHBondContact CA-O 3.39Å; K313-F376 HydrophobicContact CB-CD1 4.09Å; K313-F376 HydrophobicContact CB-CE1 3.89Å; K313-F376 HydrophobicContact CG-CD1 4.32Å; K313-F376 HydrophobicContact CG-CE1 4.01Å; K313-F376 HydrophobicContact CG-CZ 4.5Å
314	K	89.1	Confident	83.9	Confident	62 Å²	62	76.2 Å²	76.2	27%	0.27	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.1	166.1	-149.2	169.7	-176.2	174.2	0	109.6	K320 V321 W322 H375	K314-K320 HydrophobicContact CG-CB 4.49Å; K314-V321 CarbonylContact C-O 3.53Å; K314-W322 HydrophobicContact CB-CD2 4.33Å; K314-W322 HydrophobicContact CB-CE3 3.92Å; K314-W322 HydrophobicContact CB-CH2 4.22Å; K314-W322 HydrophobicContact CB-CZ3 3.85Å; K314-W322 HydrophobicContact CD-CH2 4.28Å; K314-W322 HydrophobicContact CD-CZ2 4.12Å; K314-W322 HydrophobicContact CG-CD2 4.34Å; K314-W322 HydrophobicContact CG-CE3 4.43Å; K314-W322 HydrophobicContact CG-CZ2 4.47Å; K314-W322 VanDerWaalsContact N-CE3 3.33Å; K314-H375 HydrophobicContact CB-CB 3.73Å; K314-H375 HydrophobicContact CD-CB 4.01Å; K314-H375 PolarHBondContact N-O 3.35Å
315	S	81.8	Confident	84	Confident	22 Å²	22	76.6 Å²	76.6	15%	0.154	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-82	147.7	168.7	40.2	0	0	0	0	110.4	R319 V321	S315-R319 PolarHBondContact OG-O 2.92Å; S315-R319 VanDerWaalsContact OG-O 3.12Å; S315-V321 PolarHBondContact N-O 3.3Å; S315-V321 WeakPolarHBondContact OG-CA 3.41Å; S315-V321 PolarHBondContact OG-N 2.83Å; S315-V321 PolarHBondContact OG-O 2.95Å
316	D	65.1	Low	84.1	Confident	60 Å²	60	78.5 Å²	78.5	32%	0.321	37%	0.369	S	S	.	.			trans	-99.1	-21.7	-167.2	-51.8	-30.5	0	0	0	112.8	K313 R372	K313-D316 IonicContact NZ-OD1 2.63Å; K313-D316 PolarHBondContact NZ-OD1 3.44Å; K313-D316 IonicContact NZ-OD2 2.71Å; K313-D316 PolarHBondContact NZ-OD2 3.26Å; D316-R372 IonicContact OD2-CZ 3.65Å; D316-R372 IonicContact OD2-NE 2.68Å; D316-R372 PolarHBondContact OD2-NE 2.86Å; D316-R372 VanDerWaalsContact OD2-NE 3.16Å; D316-R372 IonicContact OD2-NH2 3.57Å; D316-R372 PolarHBondContact OD2-NH2 3.03Å
317	G	61.3	Low	84.2	Confident	48 Å²	48	73.9 Å²	73.9	50%	0.495	35%	0.347	S	S	.	.	S	Bend	trans	-73.5	-177.1	176.1	0	0	0	0	0	114.7	R319	G317-R319 CarbonylContact O-C 3.5Å; G317-R319 PolarHBondContact O-N 2.97Å
318	L	47.6	Very low	84.2	Confident	160 Å²	160	73.8 Å²	73.8	84%	0.838	35%	0.351	S	S	*	.	S	Bend	trans	-45.5	-26.3	-168.5	-68.8	167.9	0	0	0	116.8
319	R	59.8	Low	84.2	Confident	212 Å²	212	67.4 Å²	67.4	80%	0.8	32%	0.324	S	S	*	.	S	Bend	trans	-113.9	103.3	170.2	-63.2	-175.1	-174.6	178.5	4.1	110.2	S315 G317 V321	S315-R319 PolarHBondContact OG-O 2.92Å; S315-R319 VanDerWaalsContact OG-O 3.12Å; G317-R319 CarbonylContact O-C 3.5Å; G317-R319 PolarHBondContact O-N 2.97Å; R319-V321 VanDerWaalsContact C-N 3.33Å; R319-V321 HydrophobicContact CB-CG2 4.13Å; R319-V321 PolarHBondContact O-N 3.21Å
320	K	77.6	Confident	84.1	Confident	154 Å²	154	72.4 Å²	72.4	67%	0.67	34%	0.34	S	S	*	.			trans	-72.8	78.3	179.5	-64.8	-179.1	179.6	179.5	0	112	K314	K314-K320 HydrophobicContact CG-CB 4.49Å
321	V	83.6	Confident	83.5	Confident	76 Å²	76	70.4 Å²	70.4	46%	0.461	35%	0.35	S	S	.	.			trans	-102.3	138.4	-176.5	179.1	0	0	0	0	111.3	K314 S315 R319 Q323	K314-V321 CarbonylContact C-O 3.53Å; S315-V321 PolarHBondContact N-O 3.3Å; S315-V321 WeakPolarHBondContact OG-CA 3.41Å; S315-V321 PolarHBondContact OG-N 2.83Å; S315-V321 PolarHBondContact OG-O 2.95Å; R319-V321 VanDerWaalsContact C-N 3.33Å; R319-V321 HydrophobicContact CB-CG2 4.13Å; R319-V321 PolarHBondContact O-N 3.21Å; V321-Q323 HydrophobicContact CG1-CG 4.5Å
322	W	88.9	Confident	83.1	Confident	86 Å²	86	70.5 Å²	70.5	33%	0.326	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.5	172	-68.3	108.9	0	0	0	111.6	L312 K314 H375 Q377	L312-W322 HydrophobicContact CB-CB 4.33Å; L312-W322 HydrophobicContact CB-CE3 4.06Å; L312-W322 HydrophobicContact CD2-CB 4.04Å; L312-W322 WeakPolarHBondContact O-CZ3 2.97Å; K314-W322 HydrophobicContact CB-CD2 4.33Å; K314-W322 HydrophobicContact CB-CE3 3.92Å; K314-W322 HydrophobicContact CB-CH2 4.22Å; K314-W322 HydrophobicContact CB-CZ3 3.85Å; K314-W322 HydrophobicContact CD-CH2 4.28Å; K314-W322 HydrophobicContact CD-CZ2 4.12Å; K314-W322 HydrophobicContact CG-CD2 4.34Å; K314-W322 HydrophobicContact CG-CE3 4.43Å; K314-W322 HydrophobicContact CG-CZ2 4.47Å; K314-W322 VanDerWaalsContact N-CE3 3.33Å; W322-H375 HydrophobicContact CH2-CB 4.23Å; W322-H375 HydrophobicContact CZ3-CB 4.44Å; W322-Q377 HydrophobicContact CE3-CB 4.13Å; W322-Q377 HydrophobicContact CH2-CB 3.96Å; W322-Q377 HydrophobicContact CZ2-CB 4.41Å; W322-Q377 HydrophobicContact CZ3-CB 3.81Å
323	Q	87.8	Confident	83.1	Confident	75 Å²	75	71.5 Å²	71.5	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126	-174.8	-62.7	177	-15	0	0	110.1	L312 K313 V321 R325	L312-Q323 CarbonylContact C-O 3.52Å; L312-Q323 WeakPolarHBondContact CA-O 3.44Å; K313-Q323 PolarHBondContact N-O 3.24Å; K313-Q323 PolarHBondContact O-N 3.29Å; V321-Q323 HydrophobicContact CG1-CG 4.5Å; Q323-R325 PolarHBondContact O-N 2.89Å
324	R	91.8	Very high	83.1	Confident	138 Å²	138	70.5 Å²	70.5	52%	0.521	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.8	178.1	-154.1	178.6	-170.5	-159.6	7	110.3	Y310 E379	Y310-R324 HydrophobicContact CD1-CG 4.1Å; Y310-R324 HydrophobicContact CG-CG 4.32Å; R324-E379 IonicContact CZ-OE1 2.69Å; R324-E379 IonicContact NE-OE1 2.7Å; R324-E379 PolarHBondContact NE-OE1 2.77Å; R324-E379 VanDerWaalsContact NH2-CD 3.28Å; R324-E379 IonicContact NH2-OE1 2.81Å; R324-E379 PolarHBondContact NH2-OE1 2.8Å; R324-E379 IonicContact NH2-OE2 3.57Å; R324-E379 PolarHBondContact NH2-OE2 2.98Å
325	R	91.4	Very high	83.3	Confident	42 Å²	42	69.4 Å²	69.4	16%	0.158	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.9	-177.4	-63.2	-74.9	161.9	-112.7	11.9	108.6	Y310 L311 K313 Q323 I336 S337	Y310-R325 WeakPolarHBondContact CA-O 3.41Å; L311-R325 PolarHBondContact N-O 3.32Å; L311-R325 PolarHBondContact O-N 3.48Å; K313-R325 HydrophobicContact CB-CG 3.98Å; Q323-R325 PolarHBondContact O-N 2.89Å; R325-I336 HydrophobicContact CB-CG2 4.16Å; R325-I336 HydrophobicContact CG-CG2 4.46Å; R325-S337 WeakPolarHBondContact CD-O 3.37Å
326	Q	91.9	Very high	83.8	Confident	61 Å²	61	68.8 Å²	68.8	29%	0.285	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	123.1	170.8	-176.4	170.1	110.6	0	0	108.7	K308 G309 Y310 S337	K308-Q326 VanDerWaalsContact CE-CD 3.42Å; G309-Q326 WeakPolarHBondContact O-CA 3.43Å; Y310-Q326 HydrophobicContact CD1-CB 4.11Å; Y310-Q326 HydrophobicContact CE1-CB 3.76Å; Y310-Q326 HydrophobicContact CE1-CG 4.31Å; Y310-Q326 PolarHBondContact OH-NE2 3.18Å; Q326-S337 WeakPolarHBondContact O-CB 3.28Å; Q326-S337 PolarHBondContact O-N 3.36Å; Q326-S337 PolarHBondContact O-OG 3.22Å
327	C	94.9	Very high	84.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.2	-176.7	-64.6	0	0	0	0	110.3	K308 G309 L311 L334 T335 W387	K308-C327 WeakPolarHBondContact CA-O 3.3Å; G309-C327 PolarHBondContact N-O 2.69Å; G309-C327 PolarHBondContact O-N 3.08Å; L311-C327 HydrophobicContact CD1-CB 4.2Å; C327-L334 HydrophobicContact CB-CD1 4.23Å; C327-T335 CarbonylContact C-O 3.56Å; C327-T335 VanDerWaalsContact CA-O 3.29Å; C327-T335 WeakPolarHBondContact CA-O 3.28Å; C327-W387 HydrophobicContact CB-CH2 3.8Å; C327-W387 HydrophobicContact CB-CZ2 4.46Å; C327-W387 HydrophobicContact CB-CZ3 4.27Å
328	S	94.4	Very high	85.7	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	121.3	178.8	-157.7	0	0	0	0	111	K307 T335	K307-S328 CarbonylContact O-C 3.26Å; K307-S328 WeakPolarHBondContact O-CA 3.44Å; S328-T335 PolarHBondContact N-O 3.21Å; S328-T335 PolarHBondContact O-N 2.88Å
329	V	94.9	Very high	86.7	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128	170.4	178.2	0	0	0	0	108.7	S305 E306 K307 I333 L334 L350 W387 V390 L391 S394	S305-V329 WeakPolarHBondContact O-CG1 3.31Å; E306-V329 WeakPolarHBondContact CA-O 3.41Å; K307-V329 PolarHBondContact N-O 2.8Å; K307-V329 PolarHBondContact O-N 3.44Å; V329-I333 WeakPolarHBondContact CA-O 3.46Å; V329-L334 HydrophobicContact CG2-CB 4.33Å; V329-L334 HydrophobicContact CG2-CD1 3.64Å; V329-L350 HydrophobicContact CG1-CD1 3.87Å; V329-W387 HydrophobicContact CG2-CZ3 4.14Å; V329-V390 HydrophobicContact CB-CG1 4.18Å; V329-V390 HydrophobicContact CG1-CG1 4.15Å; V329-L391 HydrophobicContact CG2-CD2 3.57Å; V329-L391 HydrophobicContact CG2-CG 4.31Å; V329-S394 VanDerWaalsContact CG1-CB 3.49Å; V329-S394 VanDerWaalsContact CG1-OG 3.29Å; V329-S394 WeakPolarHBondContact CG1-OG 3.24Å
330	K	90.1	Very high	86.8	Confident	123 Å²	123	58.7 Å²	58.7	54%	0.535	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	136	172.7	177.6	159.9	-171.4	78.7	0	110.5	E306 G332 I333	E306-K330 HydrophobicContact CG-CB 4.49Å; E306-K330 HydrophobicContact CG-CG 4.43Å; E306-K330 WeakPolarHBondContact OE1-CG 3.45Å; E306-K330 IonicContact OE1-NZ 3.16Å; E306-K330 PolarHBondContact OE1-NZ 3.32Å; E306-K330 IonicContact OE2-NZ 2.73Å; E306-K330 PolarHBondContact OE2-NZ 3.42Å; K330-G332 PolarHBondContact O-N 2.98Å; K330-I333 PolarHBondContact N-O 3.47Å; K330-I333 PolarHBondContact O-N 2.96Å
331	G	81.1	Confident	86	Confident	58 Å²	58	57.3 Å²	57.3	60%	0.598	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	47.8	173.6	0	0	0	0	0	113.9	I333	G331-I333 PolarHBondContact O-N 2.8Å; G331-I333 VanDerWaalsContact O-N 3.16Å
332	G	87.4	Confident	84.8	Confident	3 Å²	3	61.5 Å²	61.5	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	0.3	-177.6	0	0	0	0	0	116	K330 L350 S394	K330-G332 PolarHBondContact O-N 2.98Å; G332-L350 VanDerWaalsContact O-CB 3.24Å; G332-L350 WeakPolarHBondContact O-CB 3.28Å; G332-L350 VanDerWaalsContact O-CG 3.31Å; G332-L350 WeakPolarHBondContact O-CG 3.38Å; G332-L350 PolarHBondContact O-N 3.11Å; G332-S394 PolarHBondContact N-OG 2.78Å
333	I	91.8	Very high	83.9	Confident	65 Å²	65	63.6 Å²	63.6	33%	0.333	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127	-179	-60.1	177.4	0	0	0	110.6	V329 K330 G331 K347 L348	V329-I333 WeakPolarHBondContact CA-O 3.46Å; K330-I333 PolarHBondContact N-O 3.47Å; K330-I333 PolarHBondContact O-N 2.96Å; G331-I333 PolarHBondContact O-N 2.8Å; G331-I333 VanDerWaalsContact O-N 3.16Å; I333-K347 HydrophobicContact CG2-CB 3.92Å; I333-K347 HydrophobicContact CG2-CG 4.32Å; I333-L348 WeakPolarHBondContact CA-O 3.41Å
334	L	93.3	Very high	83.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.6	163.6	173.2	66.8	0	0	0	109.7	C327 V329 I336 K347 L348 L350 L367 F376 L391	C327-L334 HydrophobicContact CB-CD1 4.23Å; V329-L334 HydrophobicContact CG2-CB 4.33Å; V329-L334 HydrophobicContact CG2-CD1 3.64Å; L334-I336 HydrophobicContact CD2-CD1 4.26Å; L334-I336 HydrophobicContact CD2-CG1 4.19Å; L334-I336 HydrophobicContact CG-CG1 4.09Å; L334-K347 CarbonylContact O-C 3.52Å; L334-K347 WeakPolarHBondContact O-CA 3.43Å; L334-L348 PolarHBondContact N-O 3.01Å; L334-L348 PolarHBondContact O-N 3.5Å; L334-L350 HydrophobicContact CB-CD2 3.96Å; L334-L350 HydrophobicContact CB-CG 4.4Å; L334-L367 HydrophobicContact CD2-CD2 3.44Å; L334-L367 VanDerWaalsContact CD2-CD2 3.44Å; L334-F376 HydrophobicContact CD2-CE2 4.42Å; L334-L391 HydrophobicContact CB-CD2 4.4Å; L334-L391 HydrophobicContact CD1-CD2 4.44Å; L334-L391 HydrophobicContact CD2-CD2 4.19Å
335	T	93.1	Very high	82.7	Confident	39 Å²	39	64 Å²	64	24%	0.239	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	175.4	-55.9	0	0	0	0	110.3	C327 S328 P345 V346	C327-T335 CarbonylContact C-O 3.56Å; C327-T335 VanDerWaalsContact CA-O 3.29Å; C327-T335 WeakPolarHBondContact CA-O 3.28Å; S328-T335 PolarHBondContact N-O 3.21Å; S328-T335 PolarHBondContact O-N 2.88Å; T335-P345 HydrophobicContact CG2-CB 3.43Å; T335-P345 VanDerWaalsContact CG2-CB 3.43Å; T335-P345 HydrophobicContact CG2-CG 4.33Å; T335-V346 CarbonylContact C-O 3.56Å; T335-V346 VanDerWaalsContact CA-O 3.3Å; T335-V346 WeakPolarHBondContact CA-O 3.38Å
336	I	92.8	Very high	82.4	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.2	-176.1	-51.6	157.8	0	0	0	109.5	R325 L334 P345 V346 L348 Y374 F376	R325-I336 HydrophobicContact CB-CG2 4.16Å; R325-I336 HydrophobicContact CG-CG2 4.46Å; L334-I336 HydrophobicContact CD2-CD1 4.26Å; L334-I336 HydrophobicContact CD2-CG1 4.19Å; L334-I336 HydrophobicContact CG-CG1 4.09Å; I336-P345 CarbonylContact O-C 3.54Å; I336-P345 VanDerWaalsContact O-CA 3.28Å; I336-P345 WeakPolarHBondContact O-CA 3.3Å; I336-P345 WeakPolarHBondContact O-CB 3.2Å; I336-V346 HydrophobicContact CB-CB 4.41Å; I336-V346 PolarHBondContact N-O 3.24Å; I336-V346 PolarHBondContact O-N 3.49Å; I336-L348 HydrophobicContact CD1-CD1 3.68Å; I336-L348 HydrophobicContact CD1-CG 4.38Å; I336-Y374 HydrophobicContact CD1-CD1 3.9Å; I336-Y374 HydrophobicContact CD1-CE1 3.99Å; I336-F376 HydrophobicContact CD1-CZ 3.77Å; I336-F376 HydrophobicContact CG1-CZ 4.16Å
337	S	86.3	Confident	82.3	Confident	31 Å²	31	68.2 Å²	68.2	22%	0.217	38%	0.383	C	S	.	.			trans	-81.4	139	-177.7	-48.2	0	0	0	0	112.4	R325 Q326	R325-S337 WeakPolarHBondContact CD-O 3.37Å; Q326-S337 WeakPolarHBondContact O-CB 3.28Å; Q326-S337 PolarHBondContact O-N 3.36Å; Q326-S337 PolarHBondContact O-OG 3.22Å
338	H	80.4	Confident	82	Confident	73 Å²	73	69 Å²	69	34%	0.338	39%	0.386	S	S	.	.			trans	-69.3	173.8	173.8	-72.4	-95.6	0	0	0	112.9	T340 R343 Q344 V346	H338-T340 VanDerWaalsContact C-N 3.34Å; H338-R343 HydrophobicContact CB-CB 4.3Å; H338-Q344 PolarHBondContact CD2-O 3.18Å; H338-Q344 PolarHBondContact NE2-O 3.27Å; H338-V346 WeakPolarHBondContact NE2-CG2 3.41Å
339	A	66.6	Low	81.6	Confident	73 Å²	73	70.8 Å²	70.8	60%	0.603	39%	0.393	S	S	*	.	S	Bend	trans	-66.7	-34.6	174.9	0	0	0	0	0	113.3
340	T	63.1	Low	81.3	Confident	91 Å²	91	70.8 Å²	70.8	56%	0.558	39%	0.394	S	S	*	.	S	Bend	trans	-104.3	130.9	-177.4	46.1	0	0	0	0	109.5	H338 N342 R343	H338-T340 VanDerWaalsContact C-N 3.34Å; T340-N342 PolarHBondContact O-N 3.39Å; T340-R343 PolarHBondContact O-N 3.16Å
341	S	60.8	Low	81	Confident	126 Å²	126	68 Å²	68	88%	0.881	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.2	-173.7	-51.4	0	0	0	0	115
342	N	57.9	Low	80.9	Confident	163 Å²	163	69 Å²	69	87%	0.872	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-13.7	-173.1	-62.2	14.7	0	0	0	113.9	T340	T340-N342 PolarHBondContact O-N 3.39Å
343	R	70.6	Confident	80.8	Confident	131 Å²	131	69.1 Å²	69.1	49%	0.494	38%	0.379	S	S	.	.	S	Bend	trans	-96.1	128	177	-156.5	166.9	-173.3	167.3	0.7	108.8	H338 T340 D1050	H338-R343 HydrophobicContact CB-CB 4.3Å; T340-R343 PolarHBondContact O-N 3.16Å; R343-D1050 IonicContact CZ-OD1 2.63Å; R343-D1050 IonicContact NH1-OD1 2.66Å; R343-D1050 PolarHBondContact NH1-OD1 3.01Å; R343-D1050 IonicContact NH2-OD1 2.65Å; R343-D1050 PolarHBondContact NH2-OD1 3Å; R343-D1050 IonicContact NH2-OD2 2.91Å; R343-D1050 PolarHBondContact NH2-OD2 3.01Å
344	Q	69.8	Low	80.6	Confident	165 Å²	165	72 Å²	72	77%	0.771	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-59.1	138.7	-174	-68.3	-162.4	25.4	0	0	111.5	H338	H338-Q344 PolarHBondContact CD2-O 3.18Å; H338-Q344 PolarHBondContact NE2-O 3.27Å
345	P	83.2	Confident	80.4	Confident	55 Å²	55	73.3 Å²	73.3	36%	0.357	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-59.2	136.3	177.5	-27.1	36.7	0	0	0	113.7	T335 I336 K347	T335-P345 HydrophobicContact CG2-CB 3.43Å; T335-P345 VanDerWaalsContact CG2-CB 3.43Å; T335-P345 HydrophobicContact CG2-CG 4.33Å; I336-P345 CarbonylContact O-C 3.54Å; I336-P345 VanDerWaalsContact O-CA 3.28Å; I336-P345 WeakPolarHBondContact O-CA 3.3Å; I336-P345 WeakPolarHBondContact O-CB 3.2Å; P345-K347 PolarHBondContact O-N 3.01Å
346	V	86.8	Confident	80.3	Confident	47 Å²	47	77.2 Å²	77.2	29%	0.285	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.7	173.3	-175.8	0	0	0	0	109.3	T335 I336 H338 L348	T335-V346 CarbonylContact C-O 3.56Å; T335-V346 VanDerWaalsContact CA-O 3.3Å; T335-V346 WeakPolarHBondContact CA-O 3.38Å; I336-V346 HydrophobicContact CB-CB 4.41Å; I336-V346 PolarHBondContact N-O 3.24Å; I336-V346 PolarHBondContact O-N 3.49Å; H338-V346 WeakPolarHBondContact NE2-CG2 3.41Å; V346-L348 HydrophobicContact CG1-CD2 4.11Å; V346-L348 HydrophobicContact CG1-CG 4.32Å
347	K	89	Confident	80	Confident	146 Å²	146	79.1 Å²	79.1	64%	0.635	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.3	174.5	-64.8	177.2	-174.7	172.8	0	109.8	I333 L334 P345	I333-K347 HydrophobicContact CG2-CB 3.92Å; I333-K347 HydrophobicContact CG2-CG 4.32Å; L334-K347 CarbonylContact O-C 3.52Å; L334-K347 WeakPolarHBondContact O-CA 3.43Å; P345-K347 PolarHBondContact O-N 3.01Å
348	L	87.9	Confident	79.9	Confident	15 Å²	15	79.6 Å²	79.6	8%	0.079	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.3	178.4	-59.3	176.7	0	0	0	109.4	I333 L334 I336 V346 L350 L367 Y374	I333-L348 WeakPolarHBondContact CA-O 3.41Å; L334-L348 PolarHBondContact N-O 3.01Å; L334-L348 PolarHBondContact O-N 3.5Å; I336-L348 HydrophobicContact CD1-CD1 3.68Å; I336-L348 HydrophobicContact CD1-CG 4.38Å; V346-L348 HydrophobicContact CG1-CD2 4.11Å; V346-L348 HydrophobicContact CG1-CG 4.32Å; L348-L350 PolarHBondContact O-N 3.26Å; L348-L367 HydrophobicContact CD1-CD2 3.74Å; L348-Y374 HydrophobicContact CD1-CD1 4.35Å; L348-Y374 HydrophobicContact CD1-CD2 3.87Å; L348-Y374 HydrophobicContact CD1-CE1 4.19Å; L348-Y374 HydrophobicContact CD1-CE2 3.66Å; L348-Y374 HydrophobicContact CD1-CG 4.23Å; L348-Y374 HydrophobicContact CD2-CE2 3.95Å; L348-Y374 HydrophobicContact CG-CE2 4.47Å
349	N	87.5	Confident	79.6	Confident	71 Å²	71	82 Å²	82	38%	0.38	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.8	173.6	-178.9	-14.5	0	0	0	109.4	L351 T352 C353	N349-L351 PolarHBondContact O-N 3.3Å; N349-L351 VanDerWaalsContact OD1-CB 3.28Å; N349-L351 WeakPolarHBondContact OD1-CB 3.24Å; N349-L351 WeakPolarHBondContact OD1-CG 3.46Å; N349-L351 PolarHBondContact OD1-N 3.46Å; N349-T352 PolarHBondContact O-N 2.68Å; N349-T352 VanDerWaalsContact O-N 3.07Å; N349-T352 PolarHBondContact O-OG1 2.72Å; N349-C353 PolarHBondContact O-N 2.89Å; N349-C353 PolarHBondContact O-SG 3.36Å
350	L	88.8	Confident	79.8	Confident	2 Å²	2	87.3 Å²	87.3	1%	0.01	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-67.3	-22.3	-175.9	-63.8	174.1	0	0	0	113	V329 G332 L334 L348 T352 C353 L367 L391 K395	V329-L350 HydrophobicContact CG1-CD1 3.87Å; G332-L350 VanDerWaalsContact O-CB 3.24Å; G332-L350 WeakPolarHBondContact O-CB 3.28Å; G332-L350 VanDerWaalsContact O-CG 3.31Å; G332-L350 WeakPolarHBondContact O-CG 3.38Å; G332-L350 PolarHBondContact O-N 3.11Å; L334-L350 HydrophobicContact CB-CD2 3.96Å; L334-L350 HydrophobicContact CB-CG 4.4Å; L348-L350 PolarHBondContact O-N 3.26Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 2.69Å; L350-C353 PolarHBondContact O-N 3.24Å; L350-C353 VanDerWaalsContact O-O 3.12Å; L350-L367 HydrophobicContact CD2-CD1 4.26Å; L350-L367 HydrophobicContact CD2-CD2 4.49Å; L350-L391 HydrophobicContact CD1-CD2 4.06Å; L350-L391 HydrophobicContact CD2-CD2 3.73Å; L350-K395 HydrophobicContact CB-CB 4.23Å; L350-K395 WeakPolarHBondContact O-CD 3.36Å; L350-K395 VanDerWaalsContact O-CE 3.3Å; L350-K395 WeakPolarHBondContact O-CE 3.14Å; L350-K395 PolarHBondContact O-NZ 3.48Å; L350-K395 VanDerWaalsContact O-NZ 3.15Å
351	L	83.4	Confident	80.6	Confident	63 Å²	63	85.4 Å²	85.4	33%	0.33	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-57.7	-44.3	170	-61.3	178.5	0	0	0	110.8	N349 C353 K395 A398 L399	N349-L351 PolarHBondContact O-N 3.3Å; N349-L351 VanDerWaalsContact OD1-CB 3.28Å; N349-L351 WeakPolarHBondContact OD1-CB 3.24Å; N349-L351 WeakPolarHBondContact OD1-CG 3.46Å; N349-L351 PolarHBondContact OD1-N 3.46Å; L351-C353 VanDerWaalsContact C-N 3.31Å; L351-C353 PolarHBondContact O-N 3.02Å; L351-K395 HydrophobicContact CD2-CG 4.34Å; L351-K395 WeakPolarHBondContact O-CE 3.39Å; L351-K395 PolarHBondContact O-NZ 3.2Å; L351-A398 HydrophobicContact CD1-CB 4.43Å; L351-A398 HydrophobicContact CD2-CB 3.95Å; L351-A398 HydrophobicContact CG-CB 4.2Å; L351-L399 HydrophobicContact CD2-CB 3.79Å
352	T	78.8	Confident	81.4	Confident	80 Å²	80	87.6 Å²	87.6	49%	0.491	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-83.7	2.1	179.3	68.1	0	0	0	0	114.6	N349 L350	N349-T352 PolarHBondContact O-N 2.68Å; N349-T352 VanDerWaalsContact O-N 3.07Å; N349-T352 PolarHBondContact O-OG1 2.72Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 2.69Å
353	C	85.8	Confident	82.8	Confident	5 Å²	5	83.4 Å²	83.4	3%	0.034	42%	0.416	C	S	.	.			trans	-113.8	148.8	-179	-59.6	0	0	0	0	112.8	N349 L350 L351 L367 I368 K395	N349-C353 PolarHBondContact O-N 2.89Å; N349-C353 PolarHBondContact O-SG 3.36Å; L350-C353 PolarHBondContact O-N 3.24Å; L350-C353 VanDerWaalsContact O-O 3.12Å; L351-C353 VanDerWaalsContact C-N 3.31Å; L351-C353 PolarHBondContact O-N 3.02Å; C353-L367 HydrophobicContact CB-CD1 3.72Å; C353-L367 HydrophobicContact CB-CG 4.1Å; C353-I368 CarbonylContact C-O 3.39Å; C353-I368 WeakPolarHBondContact CA-O 3.03Å; C353-K395 PolarHBondContact O-NZ 3.18Å
354	Q	86.9	Confident	83.8	Confident	126 Å²	126	78 Å²	78	59%	0.589	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.4	169.6	-170.7	179.7	32.3	0	0	110.2	L367 I368	Q354-L367 WeakPolarHBondContact O-CA 3.13Å; Q354-I368 HydrophobicContact CB-CB 4.37Å; Q354-I368 PolarHBondContact N-O 2.82Å; Q354-I368 PolarHBondContact O-N 3.13Å
355	V	90.2	Very high	84.9	Confident	30 Å²	30	70.2 Å²	70.2	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.2	172.3	-173.1	0	0	0	0	108.5	F365 L367 I388 L391	V355-F365 HydrophobicContact CG1-CD2 4.4Å; V355-L367 HydrophobicContact CG2-CD1 3.76Å; V355-I388 HydrophobicContact CG1-CD1 3.54Å; V355-L391 HydrophobicContact CG2-CB 3.93Å; V355-L391 HydrophobicContact CG2-CD1 4.47Å
356	K	89.3	Confident	85.4	Confident	121 Å²	121	69.6 Å²	69.6	53%	0.526	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	103.8	179.7	-174.3	-178.5	178.6	-173.9	0	110.7	F365 D366 I368	K356-F365 WeakPolarHBondContact O-CA 3.31Å; K356-D366 HydrophobicContact CB-CB 4.42Å; K356-D366 PolarHBondContact N-O 3.13Å; K356-D366 PolarHBondContact O-N 3.07Å; K356-I368 HydrophobicContact CD-CD1 4.43Å
357	P	87.9	Confident	85.6	Confident	47 Å²	47	67.3 Å²	67.3	31%	0.305	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	140.3	166.2	-29	37.8	0	0	0	112.1	L297 F384 I388	L297-P357 HydrophobicContact CD1-CG 4.35Å; P357-F384 HydrophobicContact CB-CZ 4.12Å; P357-I388 HydrophobicContact CG-CD1 4.29Å
358	S	83.2	Confident	85.6	Confident	42 Å²	42	62.9 Å²	62.9	29%	0.294	32%	0.324	S	S	.	.			trans	-71.5	139.6	169.6	179.8	0	0	0	0	110.7	E360 D361 C364	S358-E360 VanDerWaalsContact C-N 3.3Å; S358-E360 PolarHBondContact OG-N 2.97Å; S358-E360 VanDerWaalsContact OG-N 3.15Å; S358-D361 PolarHBondContact OG-N 3.31Å; S358-C364 WeakPolarHBondContact CB-O 3.18Å; S358-C364 PolarHBondContact N-O 3.44Å
359	S	73.9	Confident	85.4	Confident	124 Å²	124	62.6 Å²	62.6	87%	0.867	32%	0.324	S	S	*	.	S	Bend	trans	-78.6	-11.9	171.7	47.2	0	0	0	0	113.5
360	E	72.3	Confident	84.4	Confident	184 Å²	184	66.7 Å²	66.7	86%	0.86	34%	0.34	S	S	*	.	S	Bend	trans	-111.3	-37.7	-170.2	-63.8	179	179.3	0	0	113.6	S358	S358-E360 VanDerWaalsContact C-N 3.3Å; S358-E360 PolarHBondContact OG-N 2.97Å; S358-E360 VanDerWaalsContact OG-N 3.15Å
361	D	79.3	Confident	83.6	Confident	51 Å²	51	72.1 Å²	72.1	27%	0.273	37%	0.369	S	S	.	.			trans	-125.4	115	173.6	175.2	12.7	0	0	0	110	S358 K363 C364 Q377	S358-D361 PolarHBondContact OG-N 3.31Å; D361-K363 PolarHBondContact O-N 3.12Å; D361-K363 PolarHBondContact OD1-N 2.94Å; D361-C364 HydrophobicContact CB-CB 4.11Å; D361-C364 PolarHBondContact O-N 3.4Å; D361-C364 PolarHBondContact OD2-SG 2.72Å; D361-Q377 PolarHBondContact OD2-NE2 2.85Å
362	R	76.2	Confident	83.6	Confident	171 Å²	171	75 Å²	75	65%	0.645	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	4.6	178.7	-60.8	-172.3	-174.7	174.5	1.1	115	E381 F384	R362-E381 HydrophobicContact CB-CG 4.42Å; R362-E381 WeakPolarHBondContact CD-OE1 3.42Å; R362-E381 IonicContact CZ-OE1 2.72Å; R362-E381 IonicContact NE-OE1 3.49Å; R362-E381 IonicContact NH1-OE1 3.45Å; R362-E381 PolarHBondContact NH1-OE1 3.32Å; R362-F384 WeakPolarHBondContact O-CD1 3.44Å; R362-F384 WeakPolarHBondContact O-CD2 3.35Å; R362-F384 WeakPolarHBondContact O-CE1 3.3Å; R362-F384 WeakPolarHBondContact O-CG 3.27Å
363	K	88.6	Confident	84.1	Confident	76 Å²	76	73.7 Å²	73.7	33%	0.33	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-9.1	169.1	-61.6	178.8	-67.2	171.4	0	113	D361 Q377 A378	D361-K363 PolarHBondContact O-N 3.12Å; D361-K363 PolarHBondContact OD1-N 2.94Å; K363-Q377 HydrophobicContact CB-CG 4.11Å; K363-Q377 CarbonylContact O-C 3.55Å; K363-Q377 WeakPolarHBondContact O-CA 3.41Å; K363-A378 PolarHBondContact O-N 3.35Å
364	C	91.2	Very high	84.4	Confident	17 Å²	17	74.4 Å²	74.4	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	139.8	-179.1	-74.7	0	0	0	0	112.4	S358 D361 F376 F384	S358-C364 WeakPolarHBondContact CB-O 3.18Å; S358-C364 PolarHBondContact N-O 3.44Å; D361-C364 HydrophobicContact CB-CB 4.11Å; D361-C364 PolarHBondContact O-N 3.4Å; D361-C364 PolarHBondContact OD2-SG 2.72Å; C364-F376 CarbonylContact C-O 3.59Å; C364-F376 VanDerWaalsContact CA-O 3.27Å; C364-F376 WeakPolarHBondContact CA-O 3.44Å; C364-F384 WeakPolarHBondContact O-CE2 3.33Å
365	F	93.8	Very high	84.7	Confident	1 Å²	1	71.2 Å²	71.2	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.5	169.2	64.8	-86.3	0	0	0	111.6	L311 V355 K356 F376 F384 W387 I388 L391	L311-F365 HydrophobicContact CD1-CE1 4.43Å; L311-F365 HydrophobicContact CD1-CZ 3.81Å; L311-F365 HydrophobicContact CD2-CE1 4.15Å; L311-F365 HydrophobicContact CD2-CZ 4.35Å; V355-F365 HydrophobicContact CG1-CD2 4.4Å; K356-F365 WeakPolarHBondContact O-CA 3.31Å; F365-F376 HydrophobicContact CD1-CB 4.21Å; F365-F376 HydrophobicContact CD2-CB 4.24Å; F365-F376 HydrophobicContact CD2-CD2 4.4Å; F365-F376 HydrophobicContact CE1-CB 3.83Å; F365-F376 HydrophobicContact CE2-CB 3.86Å; F365-F376 AromaticContact CE2-CD2 3.76Å; F365-F376 HydrophobicContact CE2-CD2 3.76Å; F365-F376 HydrophobicContact CE2-CG 4.14Å; F365-F376 HydrophobicContact CG-CB 4.41Å; F365-F376 HydrophobicContact CZ-CB 3.66Å; F365-F376 HydrophobicContact CZ-CD2 4.17Å; F365-F376 HydrophobicContact CZ-CG 4.11Å; F365-F376 PolarHBondContact N-O 3.31Å; F365-F376 PolarHBondContact O-N 3.41Å; F365-F384 HydrophobicContact CB-CE2 4.03Å; F365-F384 HydrophobicContact CD1-CD2 4.01Å; F365-F384 HydrophobicContact CD1-CE2 4.03Å; F365-F384 HydrophobicContact CG-CE2 4.5Å; F365-W387 HydrophobicContact CE1-CB 4.32Å; F365-W387 HydrophobicContact CZ-CB 4.39Å; F365-I388 HydrophobicContact CB-CD1 3.69Å; F365-I388 HydrophobicContact CD1-CD1 4.02Å; F365-I388 HydrophobicContact CD2-CD1 4.05Å; F365-I388 HydrophobicContact CG-CD1 3.67Å; F365-L391 HydrophobicContact CD2-CD1 4.48Å; F365-L391 HydrophobicContact CE2-CD1 3.62Å; F365-L391 HydrophobicContact CZ-CD1 3.97Å
366	D	92.8	Very high	84.9	Confident	42 Å²	42	69.8 Å²	69.8	23%	0.225	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.4	174.5	-65.3	-17.9	0	0	0	109.3	K356 T373 H375	K356-D366 HydrophobicContact CB-CB 4.42Å; K356-D366 PolarHBondContact N-O 3.13Å; K356-D366 PolarHBondContact O-N 3.07Å; D366-T373 HydrophobicContact CB-CG2 3.9Å; D366-H375 IonicContact OD1-CE1 3.4Å; D366-H375 IonicContact OD1-CG 3.11Å; D366-H375 IonicContact OD1-ND1 3.21Å; D366-H375 PolarHBondContact OD1-ND1 2.89Å; D366-H375 IonicContact OD2-CE1 3.72Å; D366-H375 IonicContact OD2-ND1 2.77Å
367	L	91.8	Very high	85.1	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	107.9	165.6	-176.8	75.6	0	0	0	108.2	L334 L348 L350 C353 Q354 V355 Y374 F376	L334-L367 HydrophobicContact CD2-CD2 3.44Å; L334-L367 VanDerWaalsContact CD2-CD2 3.44Å; L348-L367 HydrophobicContact CD1-CD2 3.74Å; L350-L367 HydrophobicContact CD2-CD1 4.26Å; L350-L367 HydrophobicContact CD2-CD2 4.49Å; C353-L367 HydrophobicContact CB-CD1 3.72Å; C353-L367 HydrophobicContact CB-CG 4.1Å; Q354-L367 WeakPolarHBondContact O-CA 3.13Å; V355-L367 HydrophobicContact CG2-CD1 3.76Å; L367-Y374 PolarHBondContact N-O 3.18Å; L367-Y374 PolarHBondContact O-N 3.01Å; L367-F376 HydrophobicContact CB-CD2 4.36Å; L367-F376 HydrophobicContact CB-CE2 4.21Å; L367-F376 HydrophobicContact CD2-CE2 4.45Å
368	I	88.8	Confident	85.4	Confident	53 Å²	53	63.9 Å²	63.9	27%	0.272	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.6	-177.6	-52.7	169.1	0	0	0	107.7	C353 Q354 K356 T373	C353-I368 CarbonylContact C-O 3.39Å; C353-I368 WeakPolarHBondContact CA-O 3.03Å; Q354-I368 HydrophobicContact CB-CB 4.37Å; Q354-I368 PolarHBondContact N-O 2.82Å; Q354-I368 PolarHBondContact O-N 3.13Å; K356-I368 HydrophobicContact CD-CD1 4.43Å; I368-T373 HydrophobicContact CG1-CG2 4.14Å
369	S	82.3	Confident	85.8	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.063	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	167.4	167.9	64.9	0	0	0	0	110	N371 R372	S369-N371 PolarHBondContact O-N 2.96Å; S369-N371 PolarHBondContact OG-OD1 2.65Å; S369-R372 PolarHBondContact N-O 3.06Å; S369-R372 PolarHBondContact O-N 2.8Å; S369-R372 PolarHBondContact OG-N 2.85Å; S369-R372 PolarHBondContact OG-O 2.77Å
370	H	66.8	Low	86.6	Confident	157 Å²	157	64 Å²	64	73%	0.727	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-23.9	-176.2	63.3	-92.1	0	0	0	115.4
371	N	72.4	Confident	87.4	Confident	115 Å²	115	59.8 Å²	59.8	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-0.5	-177.8	62.2	-2.9	0	0	0	114.9	S369	S369-N371 PolarHBondContact O-N 2.96Å; S369-N371 PolarHBondContact OG-OD1 2.65Å
372	R	84.4	Confident	87.8	Confident	124 Å²	124	64.2 Å²	64.2	47%	0.468	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	140.9	-174.1	-161.6	172.8	-169.8	143.5	3.1	113.1	D316 S369 Y374	D316-R372 IonicContact OD2-CZ 3.65Å; D316-R372 IonicContact OD2-NE 2.68Å; D316-R372 PolarHBondContact OD2-NE 2.86Å; D316-R372 VanDerWaalsContact OD2-NE 3.16Å; D316-R372 IonicContact OD2-NH2 3.57Å; D316-R372 PolarHBondContact OD2-NH2 3.03Å; S369-R372 PolarHBondContact N-O 3.06Å; S369-R372 PolarHBondContact O-N 2.8Å; S369-R372 PolarHBondContact OG-N 2.85Å; S369-R372 PolarHBondContact OG-O 2.77Å; R372-Y374 HydrophobicContact CB-CD2 4.43Å; R372-Y374 HydrophobicContact CB-CE2 3.82Å; R372-Y374 HydrophobicContact CG-CD2 4.45Å; R372-Y374 HydrophobicContact CG-CE2 4.03Å
373	T	89.2	Confident	88.6	Confident	52 Å²	52	58.5 Å²	58.5	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	168.7	-60.9	0	0	0	0	110.8	D366 I368	D366-T373 HydrophobicContact CB-CG2 3.9Å; I368-T373 HydrophobicContact CG1-CG2 4.14Å
374	Y	91.6	Very high	88.7	Confident	21 Å²	21	56 Å²	56	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.1	177.3	-65.5	-105.2	0	0	0	109.7	K313 I336 L348 L367 R372 F376	K313-Y374 HydrophobicContact CD-CD1 4.19Å; I336-Y374 HydrophobicContact CD1-CD1 3.9Å; I336-Y374 HydrophobicContact CD1-CE1 3.99Å; L348-Y374 HydrophobicContact CD1-CD1 4.35Å; L348-Y374 HydrophobicContact CD1-CD2 3.87Å; L348-Y374 HydrophobicContact CD1-CE1 4.19Å; L348-Y374 HydrophobicContact CD1-CE2 3.66Å; L348-Y374 HydrophobicContact CD1-CG 4.23Å; L348-Y374 HydrophobicContact CD2-CE2 3.95Å; L348-Y374 HydrophobicContact CG-CE2 4.47Å; L367-Y374 PolarHBondContact N-O 3.18Å; L367-Y374 PolarHBondContact O-N 3.01Å; R372-Y374 HydrophobicContact CB-CD2 4.43Å; R372-Y374 HydrophobicContact CB-CE2 3.82Å; R372-Y374 HydrophobicContact CG-CD2 4.45Å; R372-Y374 HydrophobicContact CG-CE2 4.03Å; Y374-F376 HydrophobicContact CG-CE2 4.45Å; Y374-F376 WeakPolarHBondContact O-CD2 3.42Å; Y374-F376 PolarHBondContact O-N 3.27Å
375	H	92.7	Very high	88.7	Confident	59 Å²	59	58.5 Å²	58.5	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	120.8	173.2	-55.6	-66.1	0	0	0	110.8	K313 K314 W322 D366	K313-H375 WeakPolarHBondContact CA-O 3.39Å; K314-H375 HydrophobicContact CB-CB 3.73Å; K314-H375 HydrophobicContact CD-CB 4.01Å; K314-H375 PolarHBondContact N-O 3.35Å; W322-H375 HydrophobicContact CH2-CB 4.23Å; W322-H375 HydrophobicContact CZ3-CB 4.44Å; D366-H375 IonicContact OD1-CE1 3.4Å; D366-H375 IonicContact OD1-CG 3.11Å; D366-H375 IonicContact OD1-ND1 3.21Å; D366-H375 PolarHBondContact OD1-ND1 2.89Å; D366-H375 IonicContact OD2-CE1 3.72Å; D366-H375 IonicContact OD2-ND1 2.77Å
376	F	95	Very high	88.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.8	177.7	-71.2	-71.1	0	0	0	112.4	L311 L312 K313 L334 I336 C364 F365 L367 Y374	L311-F376 HydrophobicContact CB-CD1 3.8Å; L311-F376 HydrophobicContact CB-CE1 4.36Å; L311-F376 HydrophobicContact CD1-CB 4.46Å; L311-F376 HydrophobicContact CD1-CD1 3.95Å; L311-F376 HydrophobicContact CD1-CE1 4.34Å; L311-F376 HydrophobicContact CD1-CG 4.17Å; L312-F376 CarbonylContact O-C 3.21Å; L312-F376 VanDerWaalsContact O-CA 3.3Å; L312-F376 WeakPolarHBondContact O-CA 3.05Å; K313-F376 HydrophobicContact CB-CD1 4.09Å; K313-F376 HydrophobicContact CB-CE1 3.89Å; K313-F376 HydrophobicContact CG-CD1 4.32Å; K313-F376 HydrophobicContact CG-CE1 4.01Å; K313-F376 HydrophobicContact CG-CZ 4.5Å; L334-F376 HydrophobicContact CD2-CE2 4.42Å; I336-F376 HydrophobicContact CD1-CZ 3.77Å; I336-F376 HydrophobicContact CG1-CZ 4.16Å; C364-F376 CarbonylContact C-O 3.59Å; C364-F376 VanDerWaalsContact CA-O 3.27Å; C364-F376 WeakPolarHBondContact CA-O 3.44Å; F365-F376 HydrophobicContact CD1-CB 4.21Å; F365-F376 HydrophobicContact CD2-CB 4.24Å; F365-F376 HydrophobicContact CD2-CD2 4.4Å; F365-F376 HydrophobicContact CE1-CB 3.83Å; F365-F376 HydrophobicContact CE2-CB 3.86Å; F365-F376 AromaticContact CE2-CD2 3.76Å; F365-F376 HydrophobicContact CE2-CD2 3.76Å; F365-F376 HydrophobicContact CE2-CG 4.14Å; F365-F376 HydrophobicContact CG-CB 4.41Å; F365-F376 HydrophobicContact CZ-CB 3.66Å; F365-F376 HydrophobicContact CZ-CD2 4.17Å; F365-F376 HydrophobicContact CZ-CG 4.11Å; F365-F376 PolarHBondContact N-O 3.31Å; F365-F376 PolarHBondContact O-N 3.41Å; L367-F376 HydrophobicContact CB-CD2 4.36Å; L367-F376 HydrophobicContact CB-CE2 4.21Å; L367-F376 HydrophobicContact CD2-CE2 4.45Å; Y374-F376 HydrophobicContact CG-CE2 4.45Å; Y374-F376 WeakPolarHBondContact O-CD2 3.42Å; Y374-F376 PolarHBondContact O-N 3.27Å
377	Q	93.9	Very high	88.7	Confident	40 Å²	40	57.7 Å²	57.7	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.6	167.8	-170	177.9	53.4	0	0	110	L312 W322 D361 K363	L312-Q377 HydrophobicContact CB-CB 4.34Å; L312-Q377 PolarHBondContact N-O 2.89Å; L312-Q377 PolarHBondContact O-N 3.06Å; W322-Q377 HydrophobicContact CE3-CB 4.13Å; W322-Q377 HydrophobicContact CH2-CB 3.96Å; W322-Q377 HydrophobicContact CZ2-CB 4.41Å; W322-Q377 HydrophobicContact CZ3-CB 3.81Å; D361-Q377 PolarHBondContact OD2-NE2 2.85Å; K363-Q377 HydrophobicContact CB-CG 4.11Å; K363-Q377 CarbonylContact O-C 3.55Å; K363-Q377 WeakPolarHBondContact O-CA 3.41Å
378	A	94.3	Very high	88.7	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.025	29%	0.286	C	S	.	.			trans	-84.5	161.6	173.1	0	0	0	0	0	111.7	L311 K363 E383 F384	L311-A378 HydrophobicContact CD2-CB 4.22Å; K363-A378 PolarHBondContact O-N 3.35Å; A378-E383 HydrophobicContact CB-CB 4.32Å; A378-F384 HydrophobicContact CB-CB 3.89Å
379	E	91.1	Very high	88.9	Confident	95 Å²	95	56.7 Å²	56.7	44%	0.444	28%	0.276	S	S	.	.	S	Bend	trans	-71.5	-32.4	-176.5	-55.1	-168.6	173.3	0	0	111.4	L312 R324	L312-E379 HydrophobicContact CD1-CG 4.41Å; R324-E379 IonicContact CZ-OE1 2.69Å; R324-E379 IonicContact NE-OE1 2.7Å; R324-E379 PolarHBondContact NE-OE1 2.77Å; R324-E379 VanDerWaalsContact NH2-CD 3.28Å; R324-E379 IonicContact NH2-OE1 2.81Å; R324-E379 PolarHBondContact NH2-OE1 2.8Å; R324-E379 IonicContact NH2-OE2 3.57Å; R324-E379 PolarHBondContact NH2-OE2 2.98Å
380	D	90.1	Very high	89.4	Confident	73 Å²	73	56.3 Å²	56.3	39%	0.39	27%	0.273	S	S	.	.	S	Bend	trans	-149.4	177	173.3	61.3	60.2	0	0	0	112.7	Q382 E383 F384	D380-Q382 VanDerWaalsContact C-N 3.29Å; D380-Q382 PolarHBondContact O-N 2.87Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.43Å; D380-Q382 VanDerWaalsContact OD1-CB 3.31Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.29Å; D380-Q382 PolarHBondContact OD1-N 3.33Å; D380-E383 PolarHBondContact OD1-N 3.45Å; D380-F384 WeakPolarHBondContact O-CB 3.49Å; D380-F384 PolarHBondContact O-N 2.83Å
381	E	88.6	Confident	90.6	Very high	97 Å²	97	48.9 Å²	48.9	45%	0.453	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-22.2	-178.9	-167.8	173.3	-162.6	0	0	112.6	R362 V385	R362-E381 HydrophobicContact CB-CG 4.42Å; R362-E381 WeakPolarHBondContact CD-OE1 3.42Å; R362-E381 IonicContact CZ-OE1 2.72Å; R362-E381 IonicContact NE-OE1 3.49Å; R362-E381 IonicContact NH1-OE1 3.45Å; R362-E381 PolarHBondContact NH1-OE1 3.32Å; E381-V385 WeakPolarHBondContact O-CG2 3.48Å; E381-V385 PolarHBondContact O-N 2.84Å
382	Q	88.1	Confident	91.5	Very high	144 Å²	144	44 Å²	44	67%	0.673	21%	0.213	S	C	*	.	H	α-helix	trans	-79.8	-48.9	177.1	-174.5	175.4	10.2	0	0	110.9	D380 F384 V385 I386	D380-Q382 VanDerWaalsContact C-N 3.29Å; D380-Q382 PolarHBondContact O-N 2.87Å; D380-Q382 WeakPolarHBondContact OD1-CA 3.43Å; D380-Q382 VanDerWaalsContact OD1-CB 3.31Å; D380-Q382 WeakPolarHBondContact OD1-CB 3.29Å; D380-Q382 PolarHBondContact OD1-N 3.33Å; Q382-F384 PolarHBondContact O-N 3.04Å; Q382-V385 PolarHBondContact O-N 3.03Å; Q382-I386 HydrophobicContact CG-CD1 4.11Å; Q382-I386 VanDerWaalsContact O-CG1 3.26Å; Q382-I386 WeakPolarHBondContact O-CG1 3.38Å; Q382-I386 PolarHBondContact O-N 3.14Å
383	E	92.4	Very high	91.8	Very high	51 Å²	51	38.6 Å²	38.6	24%	0.238	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-38.4	171.5	-90.3	-66.5	108.3	0	0	111.1	K307 A378 D380 I386 W387	K307-E383 VanDerWaalsContact CE-OE2 3.23Å; K307-E383 WeakPolarHBondContact CE-OE2 3.36Å; K307-E383 IonicContact NZ-OE1 3.49Å; K307-E383 PolarHBondContact NZ-OE1 2.81Å; K307-E383 IonicContact NZ-OE2 2.7Å; K307-E383 PolarHBondContact NZ-OE2 3.39Å; A378-E383 HydrophobicContact CB-CB 4.32Å; D380-E383 PolarHBondContact OD1-N 3.45Å; E383-I386 PolarHBondContact O-N 3.23Å; E383-W387 WeakPolarHBondContact O-CB 3.31Å; E383-W387 PolarHBondContact O-N 3.47Å; E383-W387 PolarHBondContact OE2-NE1 2.63Å
384	F	92.6	Very high	91.8	Very high	23 Å²	23	36.1 Å²	36.1	10%	0.101	18%	0.178	C	C	.	.	H	α-helix	trans	-54.4	-55.1	173	173	-97.6	0	0	0	112.5	P357 R362 C364 F365 A378 D380 Q382 I386 W387 I388	P357-F384 HydrophobicContact CB-CZ 4.12Å; R362-F384 WeakPolarHBondContact O-CD1 3.44Å; R362-F384 WeakPolarHBondContact O-CD2 3.35Å; R362-F384 WeakPolarHBondContact O-CE1 3.3Å; R362-F384 WeakPolarHBondContact O-CG 3.27Å; C364-F384 WeakPolarHBondContact O-CE2 3.33Å; F365-F384 HydrophobicContact CB-CE2 4.03Å; F365-F384 HydrophobicContact CD1-CD2 4.01Å; F365-F384 HydrophobicContact CD1-CE2 4.03Å; F365-F384 HydrophobicContact CG-CE2 4.5Å; A378-F384 HydrophobicContact CB-CB 3.89Å; D380-F384 WeakPolarHBondContact O-CB 3.49Å; D380-F384 PolarHBondContact O-N 2.83Å; Q382-F384 PolarHBondContact O-N 3.04Å; F384-I386 VanDerWaalsContact C-N 3.26Å; F384-I386 PolarHBondContact O-N 2.81Å; F384-W387 PolarHBondContact O-N 3.07Å; F384-I388 HydrophobicContact CD1-CG1 4.48Å; F384-I388 HydrophobicContact CD2-CG1 4.31Å; F384-I388 HydrophobicContact CE1-CG1 4.2Å; F384-I388 HydrophobicContact CE2-CD1 4.27Å; F384-I388 HydrophobicContact CE2-CG1 4.03Å; F384-I388 HydrophobicContact CZ-CD1 4.42Å; F384-I388 HydrophobicContact CZ-CG1 3.97Å; F384-I388 WeakPolarHBondContact O-CG1 3.4Å; F384-I388 PolarHBondContact O-N 2.92Å
385	V	90.1	Very high	91.6	Very high	69 Å²	69	37 Å²	37	42%	0.418	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-38.3	179.3	169.5	0	0	0	0	111.5	F303 E381 Q382 S389	F303-V385 HydrophobicContact CE2-CG1 4.19Å; E381-V385 WeakPolarHBondContact O-CG2 3.48Å; E381-V385 PolarHBondContact O-N 2.84Å; Q382-V385 PolarHBondContact O-N 3.03Å; V385-S389 VanDerWaalsContact O-CB 3.29Å; V385-S389 WeakPolarHBondContact O-CB 3.24Å; V385-S389 PolarHBondContact O-N 3.32Å; V385-S389 PolarHBondContact O-OG 2.92Å
386	I	91.9	Very high	91.1	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.138	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-47.1	177.2	-61.5	164.1	0	0	0	110.8	F303 K307 Q382 E383 F384 S389 V390	F303-I386 HydrophobicContact CB-CG2 4.34Å; F303-I386 HydrophobicContact CD1-CG1 3.88Å; F303-I386 HydrophobicContact CD1-CG2 4.24Å; F303-I386 HydrophobicContact CE1-CD1 4.36Å; F303-I386 HydrophobicContact CE1-CG1 3.71Å; F303-I386 HydrophobicContact CE2-CG1 4.36Å; F303-I386 HydrophobicContact CG-CG1 4.3Å; F303-I386 HydrophobicContact CG-CG2 4.26Å; F303-I386 HydrophobicContact CZ-CG1 3.96Å; K307-I386 HydrophobicContact CD-CG2 3.72Å; Q382-I386 HydrophobicContact CG-CD1 4.11Å; Q382-I386 VanDerWaalsContact O-CG1 3.26Å; Q382-I386 WeakPolarHBondContact O-CG1 3.38Å; Q382-I386 PolarHBondContact O-N 3.14Å; E383-I386 PolarHBondContact O-N 3.23Å; F384-I386 VanDerWaalsContact C-N 3.26Å; F384-I386 PolarHBondContact O-N 2.81Å; I386-S389 PolarHBondContact O-N 2.94Å; I386-V390 HydrophobicContact CG2-CG2 4.28Å; I386-V390 WeakPolarHBondContact O-CG2 3.29Å; I386-V390 PolarHBondContact O-N 3.31Å
387	W	94.3	Very high	90.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-45.2	178.9	-83.3	107.4	0	0	0	112.3	K307 L311 C327 V329 F365 E383 F384 S389 V390 L391	K307-W387 HydrophobicContact CD-CD2 3.92Å; K307-W387 HydrophobicContact CD-CE3 4.12Å; K307-W387 HydrophobicContact CD-CG 4.38Å; K307-W387 HydrophobicContact CD-CH2 4.41Å; K307-W387 HydrophobicContact CD-CZ2 4.23Å; K307-W387 HydrophobicContact CD-CZ3 4.36Å; K307-W387 HydrophobicContact CG-CH2 4.1Å; K307-W387 HydrophobicContact CG-CZ2 4.2Å; K307-W387 HydrophobicContact CG-CZ3 4.27Å; L311-W387 HydrophobicContact CD1-CD2 3.99Å; L311-W387 HydrophobicContact CD1-CE3 4.11Å; L311-W387 HydrophobicContact CD1-CG 4.47Å; L311-W387 HydrophobicContact CD1-CZ2 4.42Å; L311-W387 HydrophobicContact CD1-CZ3 4.38Å; L311-W387 HydrophobicContact CD2-CD2 4.14Å; L311-W387 HydrophobicContact CD2-CG 3.98Å; L311-W387 HydrophobicContact CG-CD2 4.19Å; L311-W387 HydrophobicContact CG-CZ2 4.17Å; C327-W387 HydrophobicContact CB-CH2 3.8Å; C327-W387 HydrophobicContact CB-CZ2 4.46Å; C327-W387 HydrophobicContact CB-CZ3 4.27Å; V329-W387 HydrophobicContact CG2-CZ3 4.14Å; F365-W387 HydrophobicContact CE1-CB 4.32Å; F365-W387 HydrophobicContact CZ-CB 4.39Å; E383-W387 WeakPolarHBondContact O-CB 3.31Å; E383-W387 PolarHBondContact O-N 3.47Å; E383-W387 PolarHBondContact OE2-NE1 2.63Å; F384-W387 PolarHBondContact O-N 3.07Å; W387-S389 VanDerWaalsContact C-N 3.34Å; W387-S389 PolarHBondContact O-N 3.5Å; W387-V390 PolarHBondContact O-N 3.32Å; W387-L391 WeakPolarHBondContact O-CB 3.47Å; W387-L391 WeakPolarHBondContact O-CD1 3.04Å; W387-L391 VanDerWaalsContact O-CG 3.24Å; W387-L391 WeakPolarHBondContact O-CG 3.49Å; W387-L391 PolarHBondContact O-N 2.97Å
388	I	92.6	Very high	89.6	Confident	22 Å²	22	39.6 Å²	39.6	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-45.7	175.3	-65.2	-63.8	0	0	0	110.7	V355 P357 F365 F384 T392	V355-I388 HydrophobicContact CG1-CD1 3.54Å; P357-I388 HydrophobicContact CG-CD1 4.29Å; F365-I388 HydrophobicContact CB-CD1 3.69Å; F365-I388 HydrophobicContact CD1-CD1 4.02Å; F365-I388 HydrophobicContact CD2-CD1 4.05Å; F365-I388 HydrophobicContact CG-CD1 3.67Å; F384-I388 HydrophobicContact CD1-CG1 4.48Å; F384-I388 HydrophobicContact CD2-CG1 4.31Å; F384-I388 HydrophobicContact CE1-CG1 4.2Å; F384-I388 HydrophobicContact CE2-CD1 4.27Å; F384-I388 HydrophobicContact CE2-CG1 4.03Å; F384-I388 HydrophobicContact CZ-CD1 4.42Å; F384-I388 HydrophobicContact CZ-CG1 3.97Å; F384-I388 WeakPolarHBondContact O-CG1 3.4Å; F384-I388 PolarHBondContact O-N 2.92Å; I388-T392 VanDerWaalsContact O-CB 3.31Å; I388-T392 WeakPolarHBondContact O-CB 3.2Å; I388-T392 PolarHBondContact O-N 3.03Å; I388-T392 VanDerWaalsContact O-N 3.08Å; I388-T392 PolarHBondContact O-OG1 3.05Å
389	S	91.7	Very high	88.6	Confident	10 Å²	10	42.5 Å²	42.5	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-48.9	178.7	-61.8	0	0	0	0	111.9	N300 V385 I386 W387 T392 N393	N300-S389 PolarHBondContact N-OG 2.94Å; V385-S389 VanDerWaalsContact O-CB 3.29Å; V385-S389 WeakPolarHBondContact O-CB 3.24Å; V385-S389 PolarHBondContact O-N 3.32Å; V385-S389 PolarHBondContact O-OG 2.92Å; I386-S389 PolarHBondContact O-N 2.94Å; W387-S389 VanDerWaalsContact C-N 3.34Å; W387-S389 PolarHBondContact O-N 3.5Å; S389-T392 PolarHBondContact O-N 3.23Å; S389-N393 WeakPolarHBondContact O-CB 3.12Å; S389-N393 PolarHBondContact O-N 2.66Å; S389-N393 PolarHBondContact O-ND2 3.04Å; S389-N393 PolarHBondContact O-OD1 3.11Å
390	V	93.7	Very high	87.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-42.4	-178.3	174.2	0	0	0	0	112.1	F303 K307 V329 I386 W387 T392 N393 S394	F303-V390 HydrophobicContact CB-CG2 3.99Å; F303-V390 WeakPolarHBondContact O-CG2 3.25Å; K307-V390 HydrophobicContact CB-CB 4.25Å; K307-V390 HydrophobicContact CB-CG1 3.74Å; K307-V390 HydrophobicContact CB-CG2 4.11Å; K307-V390 HydrophobicContact CD-CG2 4.21Å; V329-V390 HydrophobicContact CB-CG1 4.18Å; V329-V390 HydrophobicContact CG1-CG1 4.15Å; I386-V390 HydrophobicContact CG2-CG2 4.28Å; I386-V390 WeakPolarHBondContact O-CG2 3.29Å; I386-V390 PolarHBondContact O-N 3.31Å; W387-V390 PolarHBondContact O-N 3.32Å; V390-T392 PolarHBondContact O-N 3.29Å; V390-N393 PolarHBondContact O-N 3.26Å; V390-S394 VanDerWaalsContact O-CB 3.25Å; V390-S394 WeakPolarHBondContact O-CB 3.43Å; V390-S394 PolarHBondContact O-N 3.22Å
391	L	92.9	Very high	86.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-39.1	175	-72.5	165.5	0	0	0	111.5	V329 L334 L350 V355 F365 W387 K395	V329-L391 HydrophobicContact CG2-CD2 3.57Å; V329-L391 HydrophobicContact CG2-CG 4.31Å; L334-L391 HydrophobicContact CB-CD2 4.4Å; L334-L391 HydrophobicContact CD1-CD2 4.44Å; L334-L391 HydrophobicContact CD2-CD2 4.19Å; L350-L391 HydrophobicContact CD1-CD2 4.06Å; L350-L391 HydrophobicContact CD2-CD2 3.73Å; V355-L391 HydrophobicContact CG2-CB 3.93Å; V355-L391 HydrophobicContact CG2-CD1 4.47Å; F365-L391 HydrophobicContact CD2-CD1 4.48Å; F365-L391 HydrophobicContact CE2-CD1 3.62Å; F365-L391 HydrophobicContact CZ-CD1 3.97Å; W387-L391 WeakPolarHBondContact O-CB 3.47Å; W387-L391 WeakPolarHBondContact O-CD1 3.04Å; W387-L391 VanDerWaalsContact O-CG 3.24Å; W387-L391 WeakPolarHBondContact O-CG 3.49Å; W387-L391 PolarHBondContact O-N 2.97Å; L391-K395 PolarHBondContact O-N 2.87Å
392	T	90.3	Very high	84.8	Confident	11 Å²	11	40 Å²	40	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-71.5	-47.9	178.6	-55.7	0	0	0	0	111.7	L297 I388 S389 V390 S394 K395 E396	L297-T392 WeakPolarHBondContact O-CG2 3.15Å; I388-T392 VanDerWaalsContact O-CB 3.31Å; I388-T392 WeakPolarHBondContact O-CB 3.2Å; I388-T392 PolarHBondContact O-N 3.03Å; I388-T392 VanDerWaalsContact O-N 3.08Å; I388-T392 PolarHBondContact O-OG1 3.05Å; S389-T392 PolarHBondContact O-N 3.23Å; V390-T392 PolarHBondContact O-N 3.29Å; T392-S394 PolarHBondContact O-N 2.96Å; T392-K395 WeakPolarHBondContact O-CB 3.27Å; T392-K395 PolarHBondContact O-N 3.03Å; T392-E396 PolarHBondContact O-N 3.46Å
393	N	90.6	Very high	82.8	Confident	11 Å²	11	41 Å²	41	6%	0.059	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-42.1	178	-66.5	-14.9	0	0	0	111.4	G299 N300 G304 S389 V390 K395 E396 E397	G299-N393 VanDerWaalsContact CA-OD1 3.31Å; G299-N393 WeakPolarHBondContact CA-OD1 3.29Å; G299-N393 PolarHBondContact O-OD1 3.34Å; N300-N393 PolarHBondContact O-ND2 2.88Å; G304-N393 VanDerWaalsContact O-CB 3.26Å; G304-N393 WeakPolarHBondContact O-CB 3.45Å; G304-N393 PolarHBondContact O-ND2 2.95Å; S389-N393 WeakPolarHBondContact O-CB 3.12Å; S389-N393 PolarHBondContact O-N 2.66Å; S389-N393 PolarHBondContact O-ND2 3.04Å; S389-N393 PolarHBondContact O-OD1 3.11Å; V390-N393 PolarHBondContact O-N 3.26Å; N393-K395 VanDerWaalsContact C-N 3.32Å; N393-K395 PolarHBondContact O-N 2.6Å; N393-E396 PolarHBondContact O-N 2.91Å; N393-E397 WeakPolarHBondContact O-CB 3.26Å; N393-E397 PolarHBondContact O-N 3.17Å
394	S	89.4	Confident	80.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-32.5	177.8	-150.3	0	0	0	0	112.1	S305 V329 G332 V390 T392 A398	S305-S394 WeakPolarHBondContact O-CB 3.49Å; S305-S394 PolarHBondContact O-OG 3.06Å; V329-S394 VanDerWaalsContact CG1-CB 3.49Å; V329-S394 VanDerWaalsContact CG1-OG 3.29Å; V329-S394 WeakPolarHBondContact CG1-OG 3.24Å; G332-S394 PolarHBondContact N-OG 2.78Å; V390-S394 VanDerWaalsContact O-CB 3.25Å; V390-S394 WeakPolarHBondContact O-CB 3.43Å; V390-S394 PolarHBondContact O-N 3.22Å; T392-S394 PolarHBondContact O-N 2.96Å; S394-A398 VanDerWaalsContact O-CB 3.27Å; S394-A398 WeakPolarHBondContact O-CB 3.24Å; S394-A398 PolarHBondContact O-N 2.79Å
395	K	86.4	Confident	78.3	Confident	39 Å²	39	49.1 Å²	49.1	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-44.9	169.8	-173.5	175.5	-175.7	147.6	0	111.8	L350 L351 C353 L391 T392 N393 L399	L350-K395 HydrophobicContact CB-CB 4.23Å; L350-K395 WeakPolarHBondContact O-CD 3.36Å; L350-K395 VanDerWaalsContact O-CE 3.3Å; L350-K395 WeakPolarHBondContact O-CE 3.14Å; L350-K395 PolarHBondContact O-NZ 3.48Å; L350-K395 VanDerWaalsContact O-NZ 3.15Å; L351-K395 HydrophobicContact CD2-CG 4.34Å; L351-K395 WeakPolarHBondContact O-CE 3.39Å; L351-K395 PolarHBondContact O-NZ 3.2Å; C353-K395 PolarHBondContact O-NZ 3.18Å; L391-K395 PolarHBondContact O-N 2.87Å; T392-K395 WeakPolarHBondContact O-CB 3.27Å; T392-K395 PolarHBondContact O-N 3.03Å; N393-K395 VanDerWaalsContact C-N 3.32Å; N393-K395 PolarHBondContact O-N 2.6Å; K395-L399 WeakPolarHBondContact O-CB 3.39Å; K395-L399 PolarHBondContact O-N 2.57Å
396	E	83.4	Confident	75.9	Confident	47 Å²	47	52.7 Å²	52.7	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-40.9	177.2	-169.5	-172.4	150.9	0	0	111.4	K301 T392 N393 N400	K301-E396 IonicContact NZ-OE1 2.74Å; K301-E396 PolarHBondContact NZ-OE1 3.32Å; K301-E396 IonicContact NZ-OE2 2.64Å; K301-E396 PolarHBondContact NZ-OE2 2.7Å; T392-E396 PolarHBondContact O-N 3.46Å; N393-E396 PolarHBondContact O-N 2.91Å; E396-N400 WeakPolarHBondContact O-CB 3.23Å; E396-N400 PolarHBondContact O-N 2.92Å; E396-N400 PolarHBondContact O-ND2 2.67Å
397	E	81.6	Confident	73.6	Confident	91 Å²	91	59.9 Å²	59.9	43%	0.425	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-51	177.7	-174.8	170.2	-117.6	0	0	111.7	S305 N393 L399 N400 M401	S305-E397 WeakPolarHBondContact CB-OE2 3.05Å; S305-E397 PolarHBondContact OG-OE2 2.68Å; N393-E397 WeakPolarHBondContact O-CB 3.26Å; N393-E397 PolarHBondContact O-N 3.17Å; E397-L399 PolarHBondContact O-N 2.93Å; E397-N400 CarbonylContact O-C 3.36Å; E397-N400 WeakPolarHBondContact O-CA 3.35Å; E397-N400 PolarHBondContact O-N 3.37Å; E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 3.14Å
398	A	76.2	Confident	70.6	Confident	17 Å²	17	65.6 Å²	65.6	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-33.9	176.8	0	0	0	0	0	112.7	L351 S394 M401 A402	L351-A398 HydrophobicContact CD1-CB 4.43Å; L351-A398 HydrophobicContact CD2-CB 3.95Å; L351-A398 HydrophobicContact CG-CB 4.2Å; S394-A398 VanDerWaalsContact O-CB 3.27Å; S394-A398 WeakPolarHBondContact O-CB 3.24Å; S394-A398 PolarHBondContact O-N 2.79Å; A398-M401 PolarHBondContact O-N 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.43Å; A398-A402 PolarHBondContact O-N 3.45Å
399	L	73.4	Confident	67.7	Low	64 Å²	64	69.2 Å²	69.2	34%	0.335	38%	0.377	S	S	.	.	H	α-helix	trans	-71.1	-39.6	174.9	-178.7	143.2	0	0	0	111.4	L351 K395 E397 A402 F403	L351-L399 HydrophobicContact CD2-CB 3.79Å; K395-L399 WeakPolarHBondContact O-CB 3.39Å; K395-L399 PolarHBondContact O-N 2.57Å; E397-L399 PolarHBondContact O-N 2.93Å; L399-A402 PolarHBondContact O-N 3.48Å; L399-F403 HydrophobicContact CD1-CE2 4.39Å; L399-F403 HydrophobicContact CD2-CD2 3.75Å; L399-F403 HydrophobicContact CD2-CE2 3.72Å; L399-F403 HydrophobicContact CG-CD2 4Å; L399-F403 HydrophobicContact CG-CE2 3.76Å; L399-F403 WeakPolarHBondContact O-CD2 3.26Å; L399-F403 PolarHBondContact O-N 3.18Å; L399-F403 VanDerWaalsContact O-N 3.11Å
400	N	70.4	Confident	65	Low	58 Å²	58	73.1 Å²	73.1	31%	0.31	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-34.7	172.6	-87	-84.6	0	0	0	112.8	E396 E397 F403 R404	E396-N400 WeakPolarHBondContact O-CB 3.23Å; E396-N400 PolarHBondContact O-N 2.92Å; E396-N400 PolarHBondContact O-ND2 2.67Å; E397-N400 CarbonylContact O-C 3.36Å; E397-N400 WeakPolarHBondContact O-CA 3.35Å; E397-N400 PolarHBondContact O-N 3.37Å; N400-F403 CarbonylContact O-C 3.54Å; N400-F403 PolarHBondContact O-N 2.86Å; N400-R404 VanDerWaalsContact O-CB 3.22Å; N400-R404 WeakPolarHBondContact O-CB 3.29Å; N400-R404 WeakPolarHBondContact O-CD 3.31Å; N400-R404 WeakPolarHBondContact O-CG 3.33Å; N400-R404 PolarHBondContact O-N 3.01Å; N400-R404 VanDerWaalsContact O-N 3.14Å
401	M	64	Low	62.5	Low	80 Å²	80	76.6 Å²	76.6	39%	0.394	46%	0.455	S	S	.	.	H	α-helix	trans	-66.5	-46	174	-66	-64.5	-123.6	0	0	110.8	E397 A398 F403 R404 E406	E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 3.14Å; A398-M401 PolarHBondContact O-N 3.28Å; M401-F403 PolarHBondContact O-N 3.32Å; M401-R404 CarbonylContact O-C 3.58Å; M401-R404 VanDerWaalsContact O-C 3.26Å; M401-R404 PolarHBondContact O-N 3.43Å; M401-E406 HydrophobicContact CE-CG 4.39Å; M401-E406 WeakPolarHBondContact CE-OE1 3.46Å; M401-E406 HydrophobicContact SD-CG 4.3Å
402	A	55.6	Low	60	Low	73 Å²	73	80.8 Å²	80.8	60%	0.603	47%	0.474	S	S	*	.	H	α-helix	trans	-58.6	-33.8	175.3	0	0	0	0	0	113	A398 L399	A398-A402 WeakPolarHBondContact O-CB 3.43Å; A398-A402 PolarHBondContact O-N 3.45Å; L399-A402 PolarHBondContact O-N 3.48Å
403	F	46.2	Very low	58.2	Low	165 Å²	165	85.4 Å²	85.4	72%	0.724	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5.3	173.3	-68.8	-55.5	0	0	0	114.8	L399 N400 M401	L399-F403 HydrophobicContact CD1-CE2 4.39Å; L399-F403 HydrophobicContact CD2-CD2 3.75Å; L399-F403 HydrophobicContact CD2-CE2 3.72Å; L399-F403 HydrophobicContact CG-CD2 4Å; L399-F403 HydrophobicContact CG-CE2 3.76Å; L399-F403 WeakPolarHBondContact O-CD2 3.26Å; L399-F403 PolarHBondContact O-N 3.18Å; L399-F403 VanDerWaalsContact O-N 3.11Å; N400-F403 CarbonylContact O-C 3.54Å; N400-F403 PolarHBondContact O-N 2.86Å; M401-F403 PolarHBondContact O-N 3.32Å
404	R	47.2	Very low	56.7	Low	180 Å²	180	87.6 Å²	87.6	68%	0.679	52%	0.524	S	S	*	.	S	Bend	trans	-137.9	54.1	-179.7	-64.4	173.2	-174.6	-77.5	-3.4	110.5	N400 M401 E406	N400-R404 VanDerWaalsContact O-CB 3.22Å; N400-R404 WeakPolarHBondContact O-CB 3.29Å; N400-R404 WeakPolarHBondContact O-CD 3.31Å; N400-R404 WeakPolarHBondContact O-CG 3.33Å; N400-R404 PolarHBondContact O-N 3.01Å; N400-R404 VanDerWaalsContact O-N 3.14Å; M401-R404 CarbonylContact O-C 3.58Å; M401-R404 VanDerWaalsContact O-C 3.26Å; M401-R404 PolarHBondContact O-N 3.43Å; R404-E406 PolarHBondContact O-N 2.87Å
405	G	43.4	Very low	55.9	Low	66 Å²	66	90.5 Å²	90.5	68%	0.68	54%	0.539	S	S	*	.			trans	-28.4	117.8	-169.5	0	0	0	0	0	115.5	Q407	G405-Q407 PolarHBondContact O-N 2.86Å
406	E	39.4	Very low	55.4	Low	144 Å²	144	92.2 Å²	92.2	67%	0.673	55%	0.547	S	S	*	.			trans	-72	97.4	-170.9	-71.6	-170	101.1	0	0	112.9	M401 R404 S408	M401-E406 HydrophobicContact CE-CG 4.39Å; M401-E406 WeakPolarHBondContact CE-OE1 3.46Å; M401-E406 HydrophobicContact SD-CG 4.3Å; R404-E406 PolarHBondContact O-N 2.87Å; E406-S408 PolarHBondContact O-N 3.49Å
407	Q	43.7	Very low	55.1	Low	178 Å²	178	93.9 Å²	93.9	83%	0.832	56%	0.558	S	S	*	*			trans	-64.8	95.6	155.6	-72.5	-177.2	-21.3	0	0	110	G405	G405-Q407 PolarHBondContact O-N 2.86Å
408	S	30	Very low	54.9	Low	119 Å²	119	92.3 Å²	92.3	83%	0.832	55%	0.552	S	S	*	*			trans	-176.2	82.2	153.6	-85.8	0	0	0	0	115.3	E406	E406-S408 PolarHBondContact O-N 3.49Å
409	S	31.9	Very low	55.5	Low	98 Å²	98	92.2 Å²	92.2	69%	0.685	55%	0.55	S	S	*	.				-161.9	141.5	125.9	64.7	0	0	0	0	111.3	G411	S409-G411 PolarHBondContact O-N 2.99Å; S409-G411 VanDerWaalsContact O-N 3.17Å
410	G	35.9	Very low	56.2	Low	93 Å²	93	93.8 Å²	93.8	96%	0.959	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	106.3	-170.1	0	0	0	0	0	113.1
411	G	39.9	Very low	57	Low	73 Å²	73	92.9 Å²	92.9	75%	0.753	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.9	-38	172.8	0	0	0	0	0	114.2	S409	S409-G411 PolarHBondContact O-N 2.99Å; S409-G411 VanDerWaalsContact O-N 3.17Å
412	E	40.6	Very low	58.2	Low	89 Å²	89	89 Å²	89	42%	0.416	54%	0.536	S	S	.	.	S	Bend	trans	-91.1	-14.5	-172.8	-66.7	-173.5	83.1	0	0	115	G414 L415 E416 K479	E412-G414 PolarHBondContact O-N 3.17Å; E412-L415 WeakPolarHBondContact O-CA 3.45Å; E412-L415 WeakPolarHBondContact O-CB 3.35Å; E412-L415 PolarHBondContact O-N 2.98Å; E412-E416 HydrophobicContact CB-CG 4.37Å; E412-E416 PolarHBondContact O-N 3.29Å; E412-K479 IonicContact OE1-NZ 2.69Å; E412-K479 PolarHBondContact OE1-NZ 3.38Å
413	D	51.9	Low	60	Low	108 Å²	108	87 Å²	87	58%	0.578	51%	0.514	S	S	*	.	H	α-helix	trans	-45.8	-59.1	-168.4	-156.6	46.7	0	0	0	113.7	L415 E416 D417	D413-L415 PolarHBondContact O-N 3.39Å; D413-E416 PolarHBondContact O-N 2.88Å; D413-D417 PolarHBondContact O-N 2.97Å
414	G	60.8	Low	62.1	Low	57 Å²	57	83.7 Å²	83.7	59%	0.588	50%	0.501	S	S	*	.	H	α-helix	trans	-70.3	-13.5	179.4	0	0	0	0	0	115.4	E412 L418	E412-G414 PolarHBondContact O-N 3.17Å; G414-L418 WeakPolarHBondContact O-CB 3.31Å; G414-L418 PolarHBondContact O-N 3.36Å; G414-L418 VanDerWaalsContact O-N 3.12Å
415	L	71	Confident	64.2	Low	61 Å²	61	75.6 Å²	75.6	32%	0.319	47%	0.471	S	S	.	.	H	α-helix	trans	-91.9	-36.3	179.4	-170.7	56.8	0	0	0	111.4	E412 D413 L418 T419	E412-L415 WeakPolarHBondContact O-CA 3.45Å; E412-L415 WeakPolarHBondContact O-CB 3.35Å; E412-L415 PolarHBondContact O-N 2.98Å; D413-L415 PolarHBondContact O-N 3.39Å; L415-L418 HydrophobicContact CD1-CD2 4.31Å; L415-T419 WeakPolarHBondContact O-CB 3.36Å; L415-T419 PolarHBondContact O-N 2.97Å; L415-T419 PolarHBondContact O-OG1 3.26Å
416	E	76.3	Confident	66.7	Low	75 Å²	75	72.4 Å²	72.4	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-38.4	166.9	-63.7	-161.9	154.9	0	0	111.2	E412 D413 T419 K420 K479	E412-E416 HydrophobicContact CB-CG 4.37Å; E412-E416 PolarHBondContact O-N 3.29Å; D413-E416 PolarHBondContact O-N 2.88Å; E416-T419 WeakPolarHBondContact O-CB 3.49Å; E416-T419 PolarHBondContact O-N 3.46Å; E416-K420 WeakPolarHBondContact O-CE 3.35Å; E416-K420 VanDerWaalsContact O-CG 3.26Å; E416-K420 WeakPolarHBondContact O-CG 3.01Å; E416-K420 PolarHBondContact O-N 3.44Å; E416-K479 IonicContact OE1-NZ 3.67Å; E416-K479 PolarHBondContact OE1-NZ 3.47Å
417	D	76.6	Confident	69.3	Low	83 Å²	83	69.1 Å²	69.1	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-40.2	173.8	-79.4	-0.5	0	0	0	112.9	D413 T419 K420 A421	D413-D417 PolarHBondContact O-N 2.97Å; D417-T419 VanDerWaalsContact C-N 3.3Å; D417-T419 PolarHBondContact O-N 3.49Å; D417-K420 PolarHBondContact O-N 3.4Å; D417-K420 IonicContact OD1-NZ 3.36Å; D417-K420 PolarHBondContact OD1-NZ 3.05Å; D417-A421 WeakPolarHBondContact O-CB 3.26Å; D417-A421 PolarHBondContact O-N 3.02Å
418	L	79.5	Confident	71.6	Confident	58 Å²	58	66.6 Å²	66.6	30%	0.304	41%	0.408	S	S	.	.	H	α-helix	trans	-58.3	-43.8	169.6	175.4	60.4	0	0	0	111.3	G414 L415 A421 I422 T482 L690	G414-L418 WeakPolarHBondContact O-CB 3.31Å; G414-L418 PolarHBondContact O-N 3.36Å; G414-L418 VanDerWaalsContact O-N 3.12Å; L415-L418 HydrophobicContact CD1-CD2 4.31Å; L418-A421 PolarHBondContact O-N 2.64Å; L418-I422 HydrophobicContact CD1-CD1 3.93Å; L418-I422 HydrophobicContact CD1-CG1 4.21Å; L418-I422 HydrophobicContact CG-CD1 3.87Å; L418-I422 WeakPolarHBondContact O-CD1 3.22Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.34Å; L418-I422 PolarHBondContact O-N 2.96Å; L418-T482 HydrophobicContact CD2-CG2 4.32Å; L418-T482 HydrophobicContact CG-CG2 4.47Å; L418-L690 HydrophobicContact CD1-CD1 3.97Å
419	T	88.1	Confident	74.6	Confident	15 Å²	15	62.1 Å²	62.1	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-42.7	179.5	-56	0	0	0	0	111.5	L415 E416 D417 I422 I423 L480 L485	L415-T419 WeakPolarHBondContact O-CB 3.36Å; L415-T419 PolarHBondContact O-N 2.97Å; L415-T419 PolarHBondContact O-OG1 3.26Å; E416-T419 WeakPolarHBondContact O-CB 3.49Å; E416-T419 PolarHBondContact O-N 3.46Å; D417-T419 VanDerWaalsContact C-N 3.3Å; D417-T419 PolarHBondContact O-N 3.49Å; T419-I422 PolarHBondContact O-N 3.13Å; T419-I423 HydrophobicContact CG2-CD1 4.19Å; T419-I423 WeakPolarHBondContact O-CG1 3.44Å; T419-I423 PolarHBondContact O-N 2.88Å; T419-L480 WeakPolarHBondContact CG2-O 3.38Å; T419-L485 HydrophobicContact CG2-CD1 3.81Å
420	K	87.6	Confident	77.6	Confident	97 Å²	97	61.5 Å²	61.5	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-47	173.1	-67	160.5	-147.6	159.7	0	111.5	E416 D417 I422 I423 E424	E416-K420 WeakPolarHBondContact O-CE 3.35Å; E416-K420 VanDerWaalsContact O-CG 3.26Å; E416-K420 WeakPolarHBondContact O-CG 3.01Å; E416-K420 PolarHBondContact O-N 3.44Å; D417-K420 PolarHBondContact O-N 3.4Å; D417-K420 IonicContact OD1-NZ 3.36Å; D417-K420 PolarHBondContact OD1-NZ 3.05Å; K420-I422 VanDerWaalsContact C-N 3.33Å; K420-I422 PolarHBondContact O-N 3.49Å; K420-I423 WeakPolarHBondContact O-CB 3.12Å; K420-I423 PolarHBondContact O-N 3.39Å; K420-I423 VanDerWaalsContact O-N 3.12Å; K420-E424 PolarHBondContact O-N 3.39Å
421	A	86.4	Confident	80.5	Confident	38 Å²	38	57.6 Å²	57.6	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-34.7	-179.5	0	0	0	0	0	112.9	D417 L418 D425 L690	D417-A421 WeakPolarHBondContact O-CB 3.26Å; D417-A421 PolarHBondContact O-N 3.02Å; L418-A421 PolarHBondContact O-N 2.64Å; A421-D425 PolarHBondContact O-N 3.04Å; A421-D425 VanDerWaalsContact O-N 3.14Å; A421-L690 HydrophobicContact CB-CD1 3.84Å
422	I	89.4	Confident	83.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-44.7	170.7	-63.4	159.6	0	0	0	110.6	L418 T419 K420 E424 D425 V426 T482 L485 K489 W688 L690	L418-I422 HydrophobicContact CD1-CD1 3.93Å; L418-I422 HydrophobicContact CD1-CG1 4.21Å; L418-I422 HydrophobicContact CG-CD1 3.87Å; L418-I422 WeakPolarHBondContact O-CD1 3.22Å; L418-I422 VanDerWaalsContact O-CG1 3.24Å; L418-I422 WeakPolarHBondContact O-CG1 3.34Å; L418-I422 PolarHBondContact O-N 2.96Å; T419-I422 PolarHBondContact O-N 3.13Å; K420-I422 VanDerWaalsContact C-N 3.33Å; K420-I422 PolarHBondContact O-N 3.49Å; I422-E424 VanDerWaalsContact C-N 3.32Å; I422-E424 PolarHBondContact O-N 3.13Å; I422-D425 PolarHBondContact O-N 3.34Å; I422-V426 HydrophobicContact CG2-CG2 4.25Å; I422-V426 WeakPolarHBondContact O-CB 3.36Å; I422-V426 VanDerWaalsContact O-CG2 3.23Å; I422-V426 WeakPolarHBondContact O-CG2 3.38Å; I422-V426 PolarHBondContact O-N 3.15Å; I422-T482 HydrophobicContact CD1-CG2 3.88Å; I422-L485 HydrophobicContact CB-CD1 4.02Å; I422-L485 HydrophobicContact CG2-CB 3.68Å; I422-L485 HydrophobicContact CG2-CD1 3.74Å; I422-L485 HydrophobicContact CG2-CG 4.26Å; I422-K489 HydrophobicContact CG2-CD 4.4Å; I422-W688 HydrophobicContact CB-CE3 4.35Å; I422-W688 HydrophobicContact CD1-CD2 3.44Å; I422-W688 VanDerWaalsContact CD1-CD2 3.44Å; I422-W688 HydrophobicContact CD1-CE3 3.62Å; I422-W688 HydrophobicContact CD1-CG 3.98Å; I422-W688 HydrophobicContact CD1-CH2 4.2Å; I422-W688 HydrophobicContact CD1-CZ2 4.02Å; I422-W688 HydrophobicContact CD1-CZ3 4Å; I422-W688 HydrophobicContact CG1-CD2 3.78Å; I422-W688 HydrophobicContact CG1-CE3 3.63Å; I422-W688 HydrophobicContact CG1-CG 4.16Å; I422-W688 HydrophobicContact CG1-CZ3 4.24Å; I422-W688 HydrophobicContact CG2-CE3 3.71Å; I422-W688 HydrophobicContact CG2-CH2 4.46Å; I422-W688 HydrophobicContact CG2-CZ3 3.6Å; I422-L690 HydrophobicContact CG1-CD1 4.16Å; I422-L690 HydrophobicContact CG1-CD2 4.07Å
423	I	93.8	Very high	85.9	Confident	31 Å²	31	55.1 Å²	55.1	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-43.9	176.3	-76.5	167.6	0	0	0	111.3	T419 K420 V426 L427 M475 L485	T419-I423 HydrophobicContact CG2-CD1 4.19Å; T419-I423 WeakPolarHBondContact O-CG1 3.44Å; T419-I423 PolarHBondContact O-N 2.88Å; K420-I423 WeakPolarHBondContact O-CB 3.12Å; K420-I423 PolarHBondContact O-N 3.39Å; K420-I423 VanDerWaalsContact O-N 3.12Å; I423-V426 PolarHBondContact O-N 3Å; I423-L427 HydrophobicContact CG2-CD1 3.92Å; I423-L427 VanDerWaalsContact O-CG 3.3Å; I423-L427 WeakPolarHBondContact O-CG 3.37Å; I423-L427 PolarHBondContact O-N 3.19Å; I423-M475 HydrophobicContact CB-CE 4.3Å; I423-M475 HydrophobicContact CG1-CE 4.08Å; I423-M475 HydrophobicContact CG2-CE 3.95Å; I423-L485 HydrophobicContact CD1-CD1 4.36Å; I423-L485 HydrophobicContact CG1-CD1 3.82Å; I423-L485 HydrophobicContact CG1-CD2 3.78Å; I423-L485 HydrophobicContact CG1-CG 4.48Å
424	E	90.7	Very high	88	Confident	94 Å²	94	53.4 Å²	53.4	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.8	-70.2	-173.1	-158.9	0	0	113	K420 I422 V426 L427 R428	K420-E424 PolarHBondContact O-N 3.39Å; I422-E424 VanDerWaalsContact C-N 3.32Å; I422-E424 PolarHBondContact O-N 3.13Å; E424-V426 VanDerWaalsContact C-N 3.33Å; E424-V426 PolarHBondContact O-N 3.41Å; E424-L427 PolarHBondContact O-N 3.46Å; E424-R428 VanDerWaalsContact O-CG 3.31Å; E424-R428 WeakPolarHBondContact O-CG 3.39Å; E424-R428 PolarHBondContact O-N 3.45Å; E424-R428 VanDerWaalsContact O-N 3.07Å; E424-R428 IonicContact OE2-CZ 2.88Å; E424-R428 IonicContact OE2-NH1 3.19Å; E424-R428 PolarHBondContact OE2-NH1 2.98Å; E424-R428 VanDerWaalsContact OE2-NH1 3.07Å; E424-R428 IonicContact OE2-NH2 3.6Å; E424-R428 PolarHBondContact OE2-NH2 3.28Å
425	D	92.1	Very high	89.8	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.053	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-37.5	177.7	-166.1	89.1	0	0	0	111.3	A421 I422 R428 M429 K489 L690	A421-D425 PolarHBondContact O-N 3.04Å; A421-D425 VanDerWaalsContact O-N 3.14Å; I422-D425 PolarHBondContact O-N 3.34Å; D425-R428 CarbonylContact O-C 3.58Å; D425-R428 PolarHBondContact O-N 2.79Å; D425-R428 VanDerWaalsContact O-N 3.16Å; D425-M429 WeakPolarHBondContact O-CG 3.42Å; D425-M429 PolarHBondContact O-N 3.08Å; D425-K489 WeakPolarHBondContact OD2-CE 3.42Å; D425-K489 IonicContact OD2-NZ 2.64Å; D425-K489 PolarHBondContact OD2-NZ 2.98Å; D425-L690 HydrophobicContact CB-CD2 3.95Å
426	V	95	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-46.1	171.1	167.2	0	0	0	0	111.5	I422 I423 E424 R428 M429 N432 L453 M475 A488 K489	I422-V426 HydrophobicContact CG2-CG2 4.25Å; I422-V426 WeakPolarHBondContact O-CB 3.36Å; I422-V426 VanDerWaalsContact O-CG2 3.23Å; I422-V426 WeakPolarHBondContact O-CG2 3.38Å; I422-V426 PolarHBondContact O-N 3.15Å; I423-V426 PolarHBondContact O-N 3Å; E424-V426 VanDerWaalsContact C-N 3.33Å; E424-V426 PolarHBondContact O-N 3.41Å; V426-R428 PolarHBondContact O-N 3.47Å; V426-M429 WeakPolarHBondContact O-CB 3.31Å; V426-M429 PolarHBondContact O-N 2.91Å; V426-M429 VanDerWaalsContact O-N 3.13Å; V426-N432 PolarHBondContact O-ND2 2.96Å; V426-L453 HydrophobicContact CG1-CD1 4.33Å; V426-L453 HydrophobicContact CG1-CD2 4.45Å; V426-M475 HydrophobicContact CB-CE 4.36Å; V426-M475 HydrophobicContact CG1-CE 3.78Å; V426-A488 HydrophobicContact CG1-CB 3.84Å; V426-A488 HydrophobicContact CG2-CB 4Å; V426-K489 HydrophobicContact CG2-CB 4.09Å; V426-K489 HydrophobicContact CG2-CD 4.41Å
427	L	94.2	Very high	92.1	Very high	75 Å²	75	44.4 Å²	44.4	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-65.4	-24.5	177.3	-72	167.1	0	0	0	112.7	I423 E424 L453 M475	I423-L427 HydrophobicContact CG2-CD1 3.92Å; I423-L427 VanDerWaalsContact O-CG 3.3Å; I423-L427 WeakPolarHBondContact O-CG 3.37Å; I423-L427 PolarHBondContact O-N 3.19Å; E424-L427 PolarHBondContact O-N 3.46Å; L427-L453 HydrophobicContact CD2-CD1 3.84Å; L427-M475 HydrophobicContact CD2-SD 4.27Å; L427-M475 HydrophobicContact CG-CE 4.42Å
428	R	92.1	Very high	93.1	Very high	124 Å²	124	40.5 Å²	40.5	47%	0.468	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.6	174.7	-66.2	171.7	-173.9	122.3	8.5	114.1	E424 D425 V426	E424-R428 VanDerWaalsContact O-CG 3.31Å; E424-R428 WeakPolarHBondContact O-CG 3.39Å; E424-R428 PolarHBondContact O-N 3.45Å; E424-R428 VanDerWaalsContact O-N 3.07Å; E424-R428 IonicContact OE2-CZ 2.88Å; E424-R428 IonicContact OE2-NH1 3.19Å; E424-R428 PolarHBondContact OE2-NH1 2.98Å; E424-R428 VanDerWaalsContact OE2-NH1 3.07Å; E424-R428 IonicContact OE2-NH2 3.6Å; E424-R428 PolarHBondContact OE2-NH2 3.28Å; D425-R428 CarbonylContact O-C 3.58Å; D425-R428 PolarHBondContact O-N 2.79Å; D425-R428 VanDerWaalsContact O-N 3.16Å; V426-R428 PolarHBondContact O-N 3.47Å
429	M	93.6	Very high	93.9	Very high	25 Å²	25	39.1 Å²	39.1	12%	0.123	21%	0.207	C	C	.	.	S	Bend	trans	-75.7	150.6	179	-72.5	-177.2	66.1	0	0	113	D425 V426 G431 N432 K489	D425-M429 WeakPolarHBondContact O-CG 3.42Å; D425-M429 PolarHBondContact O-N 3.08Å; V426-M429 WeakPolarHBondContact O-CB 3.31Å; V426-M429 PolarHBondContact O-N 2.91Å; V426-M429 VanDerWaalsContact O-N 3.13Å; M429-G431 PolarHBondContact O-N 3.47Å; M429-N432 WeakPolarHBondContact O-CB 3.15Å; M429-N432 PolarHBondContact O-N 3.42Å; M429-K489 WeakPolarHBondContact CE-O 3.36Å
430	P	94.5	Very high	94.4	Very high	86 Å²	86	39 Å²	39	56%	0.558	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	124.2	-177.1	-26.9	35.8	0	0	0	114.1	N432 S494	P430-N432 VanDerWaalsContact C-N 3.3Å; P430-S494 VanDerWaalsContact O-CB 3.24Å; P430-S494 WeakPolarHBondContact O-CB 3.33Å; P430-S494 PolarHBondContact O-N 2.53Å
431	G	95.5	Very high	94.8	Very high	10 Å²	10	37.9 Å²	37.9	10%	0.103	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-11.5	-179.4	0	0	0	0	0	114.1	M429 E433 I434 N493	M429-G431 PolarHBondContact O-N 3.47Å; G431-E433 WeakPolarHBondContact CA-OE1 3.43Å; G431-E433 WeakPolarHBondContact CA-OE2 3.45Å; G431-E433 PolarHBondContact N-OE2 3.24Å; G431-E433 PolarHBondContact O-N 3.34Å; G431-I434 WeakPolarHBondContact O-CG1 3.36Å; G431-I434 PolarHBondContact O-N 3.35Å; G431-N493 VanDerWaalsContact O-CB 3.29Å; G431-N493 WeakPolarHBondContact O-CB 3.44Å; G431-N493 PolarHBondContact O-ND2 3.13Å
432	N	97.3	Very high	95	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.1	-179.8	-77.8	1.8	0	0	0	112.8	V426 M429 P430 I434 P443 L453 N493	V426-N432 PolarHBondContact O-ND2 2.96Å; M429-N432 WeakPolarHBondContact O-CB 3.15Å; M429-N432 PolarHBondContact O-N 3.42Å; P430-N432 VanDerWaalsContact C-N 3.3Å; N432-I434 PolarHBondContact O-N 3.45Å; N432-P443 VanDerWaalsContact O-CD 3.26Å; N432-P443 WeakPolarHBondContact O-CD 3.48Å; N432-P443 WeakPolarHBondContact O-CG 3.49Å; N432-L453 HydrophobicContact CB-CD1 3.89Å; N432-L453 HydrophobicContact CB-CG 4.47Å; N432-N493 WeakPolarHBondContact OD1-CB 3.3Å; N432-N493 PolarHBondContact OD1-N 2.94Å
433	E	96.5	Very high	95.4	Very high	109 Å²	109	43.4 Å²	43.4	51%	0.509	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.8	167.4	70.3	-74.8	173.3	0	0	113.6	G431 A441 E442	G431-E433 WeakPolarHBondContact CA-OE1 3.43Å; G431-E433 WeakPolarHBondContact CA-OE2 3.45Å; G431-E433 PolarHBondContact N-OE2 3.24Å; G431-E433 PolarHBondContact O-N 3.34Å; E433-A441 WeakPolarHBondContact O-CA 3.28Å; E433-E442 PolarHBondContact O-N 3.32Å
434	I	97.6	Very high	95.4	Very high	72 Å²	72	45.4 Å²	45.4	37%	0.369	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-133.1	146.8	179.1	53.4	169.2	0	0	0	112.8	G431 N432 C436 A440 N493	G431-I434 WeakPolarHBondContact O-CG1 3.36Å; G431-I434 PolarHBondContact O-N 3.35Å; N432-I434 PolarHBondContact O-N 3.45Å; I434-C436 PolarHBondContact O-N 3.16Å; I434-A440 CarbonylContact C-O 3.51Å; I434-N493 PolarHBondContact O-ND2 3.21Å
435	C	98.3	Very high	95.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	23%	0.23	C	C	.	.			trans	-55	129.3	175.3	174.9	0	0	0	0	111.4	D437 G439 A440 P443 C455	C435-D437 PolarHBondContact O-N 3.29Å; C435-G439 PolarHBondContact O-N 3.05Å; C435-A440 HydrophobicContact CB-CB 4.13Å; C435-A440 WeakPolarHBondContact CB-O 3.26Å; C435-A440 PolarHBondContact N-O 3.36Å; C435-P443 HydrophobicContact CB-CB 4.28Å; C435-C455 HydrophobicContact CB-CB 3.97Å; C435-C455 PolarHBondContact SG-N 3.37Å
436	C	98.1	Very high	96	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-36.2	-176	-159.3	0	0	0	0	113.5	I434 I452 L453 N493 N497 K510 K527	I434-C436 PolarHBondContact O-N 3.16Å; C436-I452 HydrophobicContact CB-CB 4.33Å; C436-I452 HydrophobicContact CB-CD1 4.3Å; C436-L453 PolarHBondContact N-O 2.96Å; C436-N493 WeakPolarHBondContact CB-OD1 3.28Å; C436-N493 PolarHBondContact N-ND2 2.98Å; C436-N497 PolarHBondContact O-ND2 3.34Å; C436-N497 PolarHBondContact SG-OD1 3.26Å; C436-N497 VanDerWaalsContact SG-OD1 3.37Å; C436-K510 PolarHBondContact O-NZ 2.9Å; C436-K527 PolarHBondContact O-NZ 3.44Å; C436-K527 PolarHBondContact SG-NZ 2.95Å
437	D	98.1	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-34.2	-168.8	-42.7	-65.6	0	0	0	115.5	C435 T454 H462 K510 P511 F523 I524 K527 Y528	C435-D437 PolarHBondContact O-N 3.29Å; D437-T454 WeakPolarHBondContact OD2-CG2 3.49Å; D437-H462 IonicContact OD2-NE2 3.55Å; D437-K510 VanDerWaalsContact O-CE 3.32Å; D437-K510 WeakPolarHBondContact O-CE 3.5Å; D437-K510 WeakPolarHBondContact O-CG 3.45Å; D437-P511 WeakPolarHBondContact O-CD 3.35Å; D437-P511 WeakPolarHBondContact O-CG 3.36Å; D437-F523 HydrophobicContact CB-CD1 4.44Å; D437-F523 HydrophobicContact CB-CE1 4.34Å; D437-I524 HydrophobicContact CB-CD1 4.12Å; D437-I524 HydrophobicContact CB-CG1 3.89Å; D437-K527 IonicContact OD1-NZ 2.78Å; D437-K527 PolarHBondContact OD1-NZ 3.18Å; D437-Y528 WeakPolarHBondContact OD1-CE2 3.44Å; D437-Y528 VanDerWaalsContact OD1-CZ 3.31Å; D437-Y528 PolarHBondContact OD1-OH 3.47Å
438	C	97	Very high	96.2	Very high	2 Å²	2	39 Å²	39	1%	0.014	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	3.4	-175.4	79.4	0	0	0	0	114.9	A440 C455 P511 S512 P513	C438-A440 PolarHBondContact O-N 3.49Å; C438-A440 VanDerWaalsContact O-N 3.16Å; C438-A440 VanDerWaalsContact SG-CB 3.6Å; C438-C455 VanDerWaalsContact SG-SG 3.63Å; C438-P511 CarbonylContact C-O 3.51Å; C438-P511 VanDerWaalsContact CA-O 3.32Å; C438-P511 WeakPolarHBondContact CA-O 3.45Å; C438-P511 HydrophobicContact CB-CB 4.29Å; C438-P511 HydrophobicContact CB-CG 3.93Å; C438-S512 CarbonylContact O-C 3.58Å; C438-P513 WeakPolarHBondContact O-CD 3.23Å
439	G	96.2	Very high	96.4	Very high	28 Å²	28	33.1 Å²	33.1	29%	0.289	19%	0.187	S	C	.	.			trans	67.5	11.8	177.9	0	0	0	0	0	115.7	C435 A441	C435-G439 PolarHBondContact O-N 3.05Å; G439-A441 PolarHBondContact O-N 3Å
440	A	97.5	Very high	96.6	Very high	14 Å²	14	32.1 Å²	32.1	12%	0.116	18%	0.183	C	C	.	.			trans	-68.6	128.9	176.3	0	0	0	0	0	110.5	I434 C435 C438 C455 P513	I434-A440 CarbonylContact C-O 3.51Å; C435-A440 HydrophobicContact CB-CB 4.13Å; C435-A440 WeakPolarHBondContact CB-O 3.26Å; C435-A440 PolarHBondContact N-O 3.36Å; C438-A440 PolarHBondContact O-N 3.49Å; C438-A440 VanDerWaalsContact O-N 3.16Å; C438-A440 VanDerWaalsContact SG-CB 3.6Å; A440-C455 HydrophobicContact CB-CB 3.98Å; A440-P513 HydrophobicContact CB-CB 3.94Å; A440-P513 HydrophobicContact CB-CG 3.99Å
441	A	96.3	Very high	96.7	Very high	73 Å²	73	28 Å²	28	60%	0.603	16%	0.156	S	C	*	.	B	Isolated β-bridge	trans	-61	156.8	-177.3	0	0	0	0	0	113.2	E433 G439	E433-A441 WeakPolarHBondContact O-CA 3.28Å; G439-A441 PolarHBondContact O-N 3Å
442	E	91.8	Very high	96.8	Very high	152 Å²	152	27.6 Å²	27.6	71%	0.71	15%	0.151	S	C	*	.	S	Bend	trans	53.1	58.2	174.5	-56	-174.3	146.6	0	0	114.2	E433 K444	E433-E442 PolarHBondContact O-N 3.32Å; E442-K444 PolarHBondContact O-N 2.89Å
443	P	96.6	Very high	96.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.151	C	C	.	.			trans	-67.4	128.3	175.7	31.9	-38	0	0	0	112	N432 C435 L453 T454	N432-P443 VanDerWaalsContact O-CD 3.26Å; N432-P443 WeakPolarHBondContact O-CD 3.48Å; N432-P443 WeakPolarHBondContact O-CG 3.49Å; C435-P443 HydrophobicContact CB-CB 4.28Å; P443-L453 HydrophobicContact CB-CB 3.81Å; P443-L453 HydrophobicContact CG-CB 3.69Å; P443-L453 HydrophobicContact CG-CD1 4.45Å; P443-T454 CarbonylContact C-O 3.42Å; P443-T454 WeakPolarHBondContact CA-O 3.33Å; P443-T454 VanDerWaalsContact CB-C 3.41Å; P443-T454 WeakPolarHBondContact CB-O 3.36Å
444	K	94.1	Very high	97	Very high	74 Å²	74	22.3 Å²	22.3	32%	0.322	13%	0.126	S	C	.	.			trans	-119.4	10	-172.4	-70.2	165.4	174.8	-135.5	0	114.2	E442 T454 M475 E476	E442-K444 PolarHBondContact O-N 2.89Å; K444-T454 PolarHBondContact N-O 2.96Å; K444-M475 PolarHBondContact O-N 3.47Å; K444-E476 WeakPolarHBondContact CD-OE2 3.3Å; K444-E476 WeakPolarHBondContact CE-OE1 3.27Å; K444-E476 IonicContact NZ-OE1 3.5Å; K444-E476 PolarHBondContact NZ-OE1 2.88Å; K444-E476 IonicContact NZ-OE2 3.51Å; K444-E476 PolarHBondContact NZ-OE2 3.32Å; K444-E476 VanDerWaalsContact NZ-OE2 3.11Å
445	W	97.5	Very high	97	Very high	40 Å²	40	19.4 Å²	19.4	15%	0.152	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.1	-178	-62.9	85.9	0	0	0	110.8	T454 I456 S459 R463 I472 Q473 L477	W445-T454 WeakPolarHBondContact CB-O 3.18Å; W445-T454 PolarHBondContact N-O 3.39Å; W445-T454 VanDerWaalsContact N-O 3.11Å; W445-T454 PolarHBondContact O-N 3.3Å; W445-T454 PolarHBondContact O-OG1 3.5Å; W445-I456 HydrophobicContact CZ2-CD1 4.05Å; W445-I456 HydrophobicContact CZ2-CG1 4Å; W445-S459 VanDerWaalsContact CB-CB 3.46Å; W445-R463 VanDerWaalsContact CZ3-NH2 3.25Å; W445-I472 HydrophobicContact CB-CG2 4.16Å; W445-I472 HydrophobicContact CD2-CG2 4.49Å; W445-I472 HydrophobicContact CE3-CG2 3.81Å; W445-Q473 CarbonylContact C-O 3.22Å; W445-Q473 WeakPolarHBondContact CA-O 3.41Å; W445-L477 HydrophobicContact CH2-CD1 4.14Å; W445-L477 HydrophobicContact CZ2-CD1 4.27Å
446	L	98.1	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.9	-175.2	168.3	58.6	0	0	0	110.8	T448 I452 L453 I472 Q473 M475 L480 L485 A488	L446-T448 HydrophobicContact CD2-CG2 3.9Å; L446-T448 HydrophobicContact CG-CG2 3.88Å; L446-T448 PolarHBondContact O-N 3.45Å; L446-I452 WeakPolarHBondContact CA-O 3.38Å; L446-L453 HydrophobicContact CB-CD2 3.94Å; L446-L453 HydrophobicContact CD1-CD2 3.9Å; L446-L453 HydrophobicContact CG-CD2 4.47Å; L446-I472 WeakPolarHBondContact O-CA 3.39Å; L446-Q473 PolarHBondContact N-O 2.97Å; L446-Q473 PolarHBondContact O-N 2.93Å; L446-M475 HydrophobicContact CB-CG 4.05Å; L446-L480 HydrophobicContact CD2-CD1 4.33Å; L446-L485 HydrophobicContact CD2-CD2 4Å; L446-A488 HydrophobicContact CD1-CB 3.63Å; L446-A488 HydrophobicContact CD2-CB 4.08Å
447	S	98.1	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	96.8	163.4	-172	0	0	0	0	109.4	N449 L450 G451 I452 S470 R471	S447-N449 PolarHBondContact O-N 3.38Å; S447-N449 VanDerWaalsContact O-N 3.15Å; S447-N449 PolarHBondContact OG-OD1 2.89Å; S447-L450 PolarHBondContact O-N 3.48Å; S447-G451 PolarHBondContact O-N 2.89Å; S447-I452 PolarHBondContact N-O 2.93Å; S447-S470 WeakPolarHBondContact CB-OG 3.29Å; S447-S470 PolarHBondContact OG-OG 3.16Å; S447-R471 WeakPolarHBondContact CA-O 3.38Å
448	T	95.8	Very high	96.8	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.6	-168.5	50	0	0	0	0	115.1	L446 R471 Q473 E484 Q606	L446-T448 HydrophobicContact CD2-CG2 3.9Å; L446-T448 HydrophobicContact CG-CG2 3.88Å; L446-T448 PolarHBondContact O-N 3.45Å; T448-R471 PolarHBondContact N-O 3.33Å; T448-R471 WeakPolarHBondContact OG1-CB 3.32Å; T448-R471 PolarHBondContact OG1-O 3.3Å; T448-R471 VanDerWaalsContact OG1-O 3.1Å; T448-Q473 VanDerWaalsContact CG2-OE1 3.26Å; T448-E484 HydrophobicContact CG2-CB 4.06Å; T448-E484 HydrophobicContact CG2-CG 4.43Å; T448-Q606 PolarHBondContact O-NE2 2.98Å
449	N	95.9	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.2	173.9	68.7	-56.6	0	0	0	114.4	S447 I469 S470 R471 L487 Q606 N607	S447-N449 PolarHBondContact O-N 3.38Å; S447-N449 VanDerWaalsContact O-N 3.15Å; S447-N449 PolarHBondContact OG-OD1 2.89Å; N449-I469 PolarHBondContact ND2-O 2.99Å; N449-S470 WeakPolarHBondContact OD1-CA 3.24Å; N449-R471 HydrophobicContact CB-CB 4.49Å; N449-R471 HydrophobicContact CB-CG 4.24Å; N449-R471 PolarHBondContact OD1-N 2.97Å; N449-L487 VanDerWaalsContact O-CD1 3.3Å; N449-L487 WeakPolarHBondContact O-CD1 3.49Å; N449-Q606 HydrophobicContact CB-CB 3.76Å; N449-N607 PolarHBondContact ND2-OD1 2.73Å; N449-N607 PolarHBondContact O-ND2 2.94Å; N449-N607 PolarHBondContact O-OD1 3.16Å
450	L	97.4	Very high	96.8	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.026	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-18.6	-174.7	-61.9	179.7	0	0	0	113.4	S447 I452 F496 Y528	S447-L450 PolarHBondContact O-N 3.48Å; L450-I452 HydrophobicContact CB-CD1 4.28Å; L450-I452 HydrophobicContact CB-CG1 3.91Å; L450-I452 HydrophobicContact CD1-CD1 4.08Å; L450-F496 HydrophobicContact CB-CE2 4.2Å; L450-F496 HydrophobicContact CB-CZ 4.44Å; L450-F496 HydrophobicContact CD1-CZ 4.38Å; L450-F496 HydrophobicContact CD2-CE2 4.48Å; L450-Y528 HydrophobicContact CD1-CD1 3.77Å; L450-Y528 HydrophobicContact CD1-CE1 3.77Å
451	G	97.1	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	22.1	179.5	0	0	0	0	0	115.2	S447	S447-G451 PolarHBondContact O-N 2.89Å
452	I	98.4	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	153.1	-175.6	59.3	169.4	0	0	0	113.5	C436 L446 S447 L450 N493 F496 Y528	C436-I452 HydrophobicContact CB-CB 4.33Å; C436-I452 HydrophobicContact CB-CD1 4.3Å; L446-I452 WeakPolarHBondContact CA-O 3.38Å; S447-I452 PolarHBondContact N-O 2.93Å; L450-I452 HydrophobicContact CB-CD1 4.28Å; L450-I452 HydrophobicContact CB-CG1 3.91Å; L450-I452 HydrophobicContact CD1-CD1 4.08Å; I452-N493 WeakPolarHBondContact CA-OD1 3.17Å; I452-N493 VanDerWaalsContact CB-OD1 3.27Å; I452-N493 WeakPolarHBondContact CB-OD1 3.36Å; I452-F496 HydrophobicContact CD1-CE1 4.16Å; I452-F496 HydrophobicContact CD1-CZ 4.42Å; I452-F496 HydrophobicContact CG2-CB 3.66Å; I452-F496 HydrophobicContact CG2-CD1 3.6Å; I452-F496 HydrophobicContact CG2-CD2 3.63Å; I452-F496 HydrophobicContact CG2-CE1 4.09Å; I452-F496 HydrophobicContact CG2-CE2 4.13Å; I452-F496 HydrophobicContact CG2-CG 3.33Å; I452-F496 HydrophobicContact CG2-CZ 4.33Å; I452-Y528 HydrophobicContact CD1-CE1 3.7Å; I452-Y528 WeakPolarHBondContact CD1-OH 3.48Å
453	L	98.4	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.5	177.4	-53.9	-169	0	0	0	112.3	V426 L427 N432 C436 P443 L446 M475 N493	V426-L453 HydrophobicContact CG1-CD1 4.33Å; V426-L453 HydrophobicContact CG1-CD2 4.45Å; L427-L453 HydrophobicContact CD2-CD1 3.84Å; N432-L453 HydrophobicContact CB-CD1 3.89Å; N432-L453 HydrophobicContact CB-CG 4.47Å; C436-L453 PolarHBondContact N-O 2.96Å; P443-L453 HydrophobicContact CB-CB 3.81Å; P443-L453 HydrophobicContact CG-CB 3.69Å; P443-L453 HydrophobicContact CG-CD1 4.45Å; L446-L453 HydrophobicContact CB-CD2 3.94Å; L446-L453 HydrophobicContact CD1-CD2 3.9Å; L446-L453 HydrophobicContact CG-CD2 4.47Å; L453-M475 HydrophobicContact CD1-SD 3.87Å; L453-M475 HydrophobicContact CD2-CE 4.34Å; L453-M475 HydrophobicContact CD2-SD 3.45Å; L453-M475 WeakPolarHBondContact CD2-SD 3.47Å; L453-M475 HydrophobicContact CG-SD 4.32Å; L453-N493 PolarHBondContact N-OD1 2.91Å; L453-N493 PolarHBondContact O-ND2 3.18Å
454	T	98.4	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	155.5	-178.4	61.8	0	0	0	0	112	D437 P443 K444 W445 S459	D437-T454 WeakPolarHBondContact OD2-CG2 3.49Å; P443-T454 CarbonylContact C-O 3.42Å; P443-T454 WeakPolarHBondContact CA-O 3.33Å; P443-T454 VanDerWaalsContact CB-C 3.41Å; P443-T454 WeakPolarHBondContact CB-O 3.36Å; K444-T454 PolarHBondContact N-O 2.96Å; W445-T454 WeakPolarHBondContact CB-O 3.18Å; W445-T454 PolarHBondContact N-O 3.39Å; W445-T454 VanDerWaalsContact N-O 3.11Å; W445-T454 PolarHBondContact O-N 3.3Å; W445-T454 PolarHBondContact O-OG1 3.5Å; T454-S459 WeakPolarHBondContact OG1-CB 3.46Å
455	C	97.8	Very high	96.9	Very high	12 Å²	12	26.4 Å²	26.4	8%	0.081	13%	0.129	C	C	.	.			trans	-78.3	163.9	169.2	74.8	0	0	0	0	110.7	C435 C438 A440 E457 C458 S459	C435-C455 HydrophobicContact CB-CB 3.97Å; C435-C455 PolarHBondContact SG-N 3.37Å; C438-C455 VanDerWaalsContact SG-SG 3.63Å; A440-C455 HydrophobicContact CB-CB 3.98Å; C455-E457 VanDerWaalsContact C-N 3.26Å; C455-E457 PolarHBondContact O-N 3.47Å; C455-E457 VanDerWaalsContact O-N 3.16Å; C455-C458 PolarHBondContact O-N 2.95Å; C455-C458 VanDerWaalsContact SG-SG 3.7Å; C455-S459 WeakPolarHBondContact O-CB 3.44Å; C455-S459 PolarHBondContact O-N 3.3Å
456	I	95.4	Very high	96.6	Very high	111 Å²	111	25.5 Å²	25.5	57%	0.569	13%	0.132	S	C	*	.	H	α-helix	trans	-54.9	-38.9	-173.9	-169.8	167.4	0	0	0	113.7	W445 S459 G460	W445-I456 HydrophobicContact CZ2-CD1 4.05Å; W445-I456 HydrophobicContact CZ2-CG1 4Å; I456-S459 PolarHBondContact O-OG 3.39Å; I456-G460 PolarHBondContact O-N 3.28Å
457	E	96.4	Very high	96.2	Very high	88 Å²	88	30.7 Å²	30.7	41%	0.411	16%	0.163	S	C	.	.	H	α-helix	trans	-70	-46.8	-179.2	-61.5	169.8	124.4	0	0	112.2	C455 S459 G460 M517 R520	C455-E457 VanDerWaalsContact C-N 3.26Å; C455-E457 PolarHBondContact O-N 3.47Å; C455-E457 VanDerWaalsContact O-N 3.16Å; E457-S459 VanDerWaalsContact C-N 3.33Å; E457-G460 PolarHBondContact O-N 3.11Å; E457-M517 HydrophobicContact CB-SD 4.13Å; E457-R520 IonicContact OE1-NH2 3.13Å; E457-R520 IonicContact OE2-CZ 3.57Å; E457-R520 IonicContact OE2-NH1 2.75Å; E457-R520 PolarHBondContact OE2-NH1 2.96Å; E457-R520 IonicContact OE2-NH2 3.15Å; E457-R520 PolarHBondContact OE2-NH2 2.98Å
458	C	97.8	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-37	175.6	-66.2	0	0	0	0	111.2	C455 G460 I461 H462 I524	C455-C458 PolarHBondContact O-N 2.95Å; C455-C458 VanDerWaalsContact SG-SG 3.7Å; C458-G460 PolarHBondContact O-N 3.27Å; C458-I461 WeakPolarHBondContact O-CB 3.49Å; C458-I461 PolarHBondContact O-N 3.23Å; C458-I461 VanDerWaalsContact O-N 3.07Å; C458-H462 PolarHBondContact O-CD2 3.38Å; C458-H462 VanDerWaalsContact O-CD2 3.29Å; C458-H462 PolarHBondContact O-N 3.46Å; C458-I524 HydrophobicContact CB-CD1 3.9Å
459	S	97.5	Very high	95.6	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-30.8	176.3	90.4	0	0	0	0	112.4	W445 T454 C455 I456 E457 H462 R463	W445-S459 VanDerWaalsContact CB-CB 3.46Å; T454-S459 WeakPolarHBondContact OG1-CB 3.46Å; C455-S459 WeakPolarHBondContact O-CB 3.44Å; C455-S459 PolarHBondContact O-N 3.3Å; I456-S459 PolarHBondContact O-OG 3.39Å; E457-S459 VanDerWaalsContact C-N 3.33Å; S459-H462 PolarHBondContact O-N 3.3Å; S459-R463 WeakPolarHBondContact O-CG 3.35Å; S459-R463 PolarHBondContact O-N 3.01Å
460	G	95.6	Very high	95.7	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-47.3	173	0	0	0	0	0	112.1	I456 E457 C458 H462 R463 E464	I456-G460 PolarHBondContact O-N 3.28Å; E457-G460 PolarHBondContact O-N 3.11Å; C458-G460 PolarHBondContact O-N 3.27Å; G460-H462 VanDerWaalsContact C-N 3.31Å; G460-H462 PolarHBondContact O-N 3.26Å; G460-R463 WeakPolarHBondContact O-CB 3.48Å; G460-R463 PolarHBondContact O-N 3.38Å; G460-R463 VanDerWaalsContact O-N 3.09Å; G460-E464 PolarHBondContact O-N 3.02Å
461	I	97.6	Very high	95.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-38.6	176.9	-60.1	165	0	0	0	110.7	C458 R463 E464 M465 M517 R520 K521 I524	C458-I461 WeakPolarHBondContact O-CB 3.49Å; C458-I461 PolarHBondContact O-N 3.23Å; C458-I461 VanDerWaalsContact O-N 3.07Å; I461-R463 VanDerWaalsContact C-N 3.26Å; I461-R463 PolarHBondContact O-N 3.13Å; I461-E464 WeakPolarHBondContact O-CB 3.12Å; I461-E464 PolarHBondContact O-N 3.21Å; I461-M465 PolarHBondContact O-N 3.02Å; I461-M465 VanDerWaalsContact O-N 3.16Å; I461-M517 HydrophobicContact CD1-CE 3.75Å; I461-M517 HydrophobicContact CG1-CE 3.77Å; I461-R520 HydrophobicContact CD1-CB 3.59Å; I461-K521 HydrophobicContact CD1-CB 4.18Å; I461-K521 HydrophobicContact CG1-CB 4.48Å; I461-K521 HydrophobicContact CG2-CB 4.23Å; I461-K521 HydrophobicContact CG2-CG 4.11Å; I461-I524 HydrophobicContact CB-CD1 4.13Å; I461-I524 HydrophobicContact CD1-CD1 3.9Å; I461-I524 HydrophobicContact CG2-CB 4.02Å; I461-I524 HydrophobicContact CG2-CD1 4.13Å; I461-I524 HydrophobicContact CG2-CG2 3.7Å
462	H	97.4	Very high	95.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-31.1	174.6	-84.2	-116.7	0	0	0	113.5	D437 C458 S459 G460 M465 S470 I472 Y528	D437-H462 IonicContact OD2-NE2 3.55Å; C458-H462 PolarHBondContact O-CD2 3.38Å; C458-H462 VanDerWaalsContact O-CD2 3.29Å; C458-H462 PolarHBondContact O-N 3.46Å; S459-H462 PolarHBondContact O-N 3.3Å; G460-H462 VanDerWaalsContact C-N 3.31Å; G460-H462 PolarHBondContact O-N 3.26Å; H462-M465 HydrophobicContact CB-CE 4.27Å; H462-S470 WeakPolarHBondContact ND1-CB 3.47Å; H462-S470 PolarHBondContact ND1-OG 2.99Å; H462-I472 HydrophobicContact CB-CD1 3.56Å; H462-I472 HydrophobicContact CB-CG1 3.45Å; H462-I472 VanDerWaalsContact CB-CG1 3.45Å; H462-Y528 AromaticContact CE1-CD2 3.77Å; H462-Y528 AromaticContact CE1-CE2 3.34Å; H462-Y528 WeakPolarHBondContact CE1-CE2 3.31Å; H462-Y528 AromaticContact CE1-CZ 3.48Å; H462-Y528 VanDerWaalsContact CE1-CZ 3.48Å; H462-Y528 AromaticContact NE2-CD2 3.83Å; H462-Y528 AromaticContact NE2-CE2 3.3Å; H462-Y528 VanDerWaalsContact NE2-CE2 3.3Å; H462-Y528 WeakPolarHBondContact NE2-CE2 3.47Å; H462-Y528 AromaticContact NE2-CZ 3.83Å
463	R	96.1	Very high	95.4	Very high	127 Å²	127	44.2 Å²	44.2	48%	0.479	22%	0.223	S	C	.	.	H	α-helix	trans	-69.9	-34.5	171.4	-65.5	176.9	-172.4	-70	3.1	112	W445 S459 G460 I461 M465 G466 I472	W445-R463 VanDerWaalsContact CZ3-NH2 3.25Å; S459-R463 WeakPolarHBondContact O-CG 3.35Å; S459-R463 PolarHBondContact O-N 3.01Å; G460-R463 WeakPolarHBondContact O-CB 3.48Å; G460-R463 PolarHBondContact O-N 3.38Å; G460-R463 VanDerWaalsContact O-N 3.09Å; I461-R463 VanDerWaalsContact C-N 3.26Å; I461-R463 PolarHBondContact O-N 3.13Å; R463-M465 VanDerWaalsContact C-N 3.33Å; R463-M465 PolarHBondContact O-N 3.4Å; R463-G466 PolarHBondContact O-N 2.84Å; R463-I472 HydrophobicContact CG-CB 4.07Å; R463-I472 HydrophobicContact CG-CG1 4.31Å; R463-I472 PolarHBondContact NH1-O 3.02Å; R463-I472 PolarHBondContact NH2-O 3.47Å; R463-I472 VanDerWaalsContact NH2-O 3.16Å
464	E	95	Very high	95.2	Very high	119 Å²	119	44.3 Å²	44.3	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-67	-29.4	176.2	-64.5	178.2	-147.5	0	0	113.3	G460 I461 G466 K521	G460-E464 PolarHBondContact O-N 3.02Å; I461-E464 WeakPolarHBondContact O-CB 3.12Å; I461-E464 PolarHBondContact O-N 3.21Å; E464-G466 PolarHBondContact O-N 3.5Å; E464-K521 WeakPolarHBondContact OE2-CE 3.44Å; E464-K521 IonicContact OE2-NZ 3.33Å; E464-K521 PolarHBondContact OE2-NZ 2.92Å
465	M	94.1	Very high	94.7	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.074	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.4	173.8	-63.7	-166.2	-66.6	0	0	113.2	I461 H462 R463 H468 I469 I524 Y528 V529	I461-M465 PolarHBondContact O-N 3.02Å; I461-M465 VanDerWaalsContact O-N 3.16Å; H462-M465 HydrophobicContact CB-CE 4.27Å; R463-M465 VanDerWaalsContact C-N 3.33Å; R463-M465 PolarHBondContact O-N 3.4Å; M465-H468 PolarHBondContact O-CE1 2.98Å; M465-I469 HydrophobicContact CB-CB 4.2Å; M465-I469 HydrophobicContact CB-CD1 4.4Å; M465-I469 HydrophobicContact CB-CG2 4.37Å; M465-I469 HydrophobicContact CE-CG2 4.27Å; M465-I469 HydrophobicContact SD-CG2 4.26Å; M465-I524 HydrophobicContact CE-CG2 3.59Å; M465-I524 HydrophobicContact SD-CG2 3.77Å; M465-Y528 HydrophobicContact CE-CD2 3.84Å; M465-Y528 HydrophobicContact CE-CG 3.99Å; M465-Y528 HydrophobicContact SD-CD2 4.48Å; M465-V529 HydrophobicContact CG-CG2 4.45Å; M465-V529 HydrophobicContact SD-CG2 3.87Å
466	G	90.7	Very high	94.1	Very high	21 Å²	21	50.6 Å²	50.6	22%	0.216	25%	0.252	C	S	.	.			trans	87.3	158.3	177	0	0	0	0	0	115.3	R463 E464 H468 I469 S470	R463-G466 PolarHBondContact O-N 2.84Å; E464-G466 PolarHBondContact O-N 3.5Å; G466-H468 PolarHBondContact O-N 2.96Å; G466-I469 PolarHBondContact O-N 3Å; G466-S470 PolarHBondContact O-N 3.16Å
467	V	89.8	Confident	93.6	Very high	109 Å²	109	51.7 Å²	51.7	66%	0.661	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.8	-169.1	-59.8	0	0	0	0	115.9	R471	V467-R471 HydrophobicContact CB-CG 4.35Å; V467-R471 WeakPolarHBondContact O-CG 3.33Å; V467-R471 PolarHBondContact O-NE 3.41Å
468	H	87.5	Confident	93.1	Very high	142 Å²	142	50.8 Å²	50.8	66%	0.657	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.1	172.3	66.8	-78.2	0	0	0	112.6	M465 G466	M465-H468 PolarHBondContact O-CE1 2.98Å; G466-H468 PolarHBondContact O-N 2.96Å
469	I	93.7	Very high	92.5	Very high	25 Å²	25	55.9 Å²	55.9	13%	0.128	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-46.6	176	-50.9	-168.6	0	0	0	110.2	N449 M465 G466 Y528 V529	N449-I469 PolarHBondContact ND2-O 2.99Å; M465-I469 HydrophobicContact CB-CB 4.2Å; M465-I469 HydrophobicContact CB-CD1 4.4Å; M465-I469 HydrophobicContact CB-CG2 4.37Å; M465-I469 HydrophobicContact CE-CG2 4.27Å; M465-I469 HydrophobicContact SD-CG2 4.26Å; G466-I469 PolarHBondContact O-N 3Å; I469-Y528 WeakPolarHBondContact CG2-O 3.4Å; I469-V529 HydrophobicContact CD1-CG1 4.46Å; I469-V529 HydrophobicContact CD1-CG2 3.85Å
470	S	96.8	Very high	92	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	28%	0.28	C	S	.	.			trans	-145.8	135.9	-179.8	-176.2	0	0	0	0	113.2	S447 N449 H462 G466	S447-S470 WeakPolarHBondContact CB-OG 3.29Å; S447-S470 PolarHBondContact OG-OG 3.16Å; N449-S470 WeakPolarHBondContact OD1-CA 3.24Å; H462-S470 WeakPolarHBondContact ND1-CB 3.47Å; H462-S470 PolarHBondContact ND1-OG 2.99Å; G466-S470 PolarHBondContact O-N 3.16Å
471	R	95.5	Very high	91.7	Very high	74 Å²	74	54.9 Å²	54.9	28%	0.279	27%	0.267	S	S	.	.			trans	-117.1	86.2	-175.8	-62	-175.9	-173.3	166.5	-2	111	S447 T448 N449 V467 Q606	S447-R471 WeakPolarHBondContact CA-O 3.38Å; T448-R471 PolarHBondContact N-O 3.33Å; T448-R471 WeakPolarHBondContact OG1-CB 3.32Å; T448-R471 PolarHBondContact OG1-O 3.3Å; T448-R471 VanDerWaalsContact OG1-O 3.1Å; N449-R471 HydrophobicContact CB-CB 4.49Å; N449-R471 HydrophobicContact CB-CG 4.24Å; N449-R471 PolarHBondContact OD1-N 2.97Å; V467-R471 HydrophobicContact CB-CG 4.35Å; V467-R471 WeakPolarHBondContact O-CG 3.33Å; V467-R471 PolarHBondContact O-NE 3.41Å; R471-Q606 PolarHBondContact NH1-O 2.99Å; R471-Q606 PolarHBondContact NH2-O 3.24Å
472	I	97	Very high	91.5	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.7	-172.4	-59.6	-65.8	0	0	0	113	W445 L446 H462 R463	W445-I472 HydrophobicContact CB-CG2 4.16Å; W445-I472 HydrophobicContact CD2-CG2 4.49Å; W445-I472 HydrophobicContact CE3-CG2 3.81Å; L446-I472 WeakPolarHBondContact O-CA 3.39Å; H462-I472 HydrophobicContact CB-CD1 3.56Å; H462-I472 HydrophobicContact CB-CG1 3.45Å; H462-I472 VanDerWaalsContact CB-CG1 3.45Å; R463-I472 HydrophobicContact CG-CB 4.07Å; R463-I472 HydrophobicContact CG-CG1 4.31Å; R463-I472 PolarHBondContact NH1-O 3.02Å; R463-I472 PolarHBondContact NH2-O 3.47Å; R463-I472 VanDerWaalsContact NH2-O 3.16Å
473	Q	94.9	Very high	91.2	Very high	39 Å²	39	54.9 Å²	54.9	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.3	164.7	-66.2	179.9	-87.5	0	0	110.4	W445 L446 T448 D478 L480	W445-Q473 CarbonylContact C-O 3.22Å; W445-Q473 WeakPolarHBondContact CA-O 3.41Å; L446-Q473 PolarHBondContact N-O 2.97Å; L446-Q473 PolarHBondContact O-N 2.93Å; T448-Q473 VanDerWaalsContact CG2-OE1 3.26Å; Q473-D478 WeakPolarHBondContact CA-OD2 3.36Å; Q473-D478 HydrophobicContact CB-CB 4.4Å; Q473-L480 HydrophobicContact CB-CD2 3.79Å; Q473-L480 HydrophobicContact CG-CD2 4.37Å
474	S	93.9	Very high	91.1	Very high	3 Å²	3	49 Å²	49	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.3	172.6	-175.6	0	0	0	0	110.9	E476 L477 D478	S474-E476 PolarHBondContact O-N 3.4Å; S474-E476 PolarHBondContact OG-N 3.41Å; S474-L477 PolarHBondContact OG-N 2.92Å; S474-L477 VanDerWaalsContact OG-N 3.1Å; S474-D478 PolarHBondContact N-OD2 2.82Å
475	M	88.6	Confident	91.1	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.084	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.5	172	-58.2	-176.9	82	0	0	113.2	I423 V426 L427 K444 L446 L453 L480 L485	I423-M475 HydrophobicContact CB-CE 4.3Å; I423-M475 HydrophobicContact CG1-CE 4.08Å; I423-M475 HydrophobicContact CG2-CE 3.95Å; V426-M475 HydrophobicContact CB-CE 4.36Å; V426-M475 HydrophobicContact CG1-CE 3.78Å; L427-M475 HydrophobicContact CD2-SD 4.27Å; L427-M475 HydrophobicContact CG-CE 4.42Å; K444-M475 PolarHBondContact O-N 3.47Å; L446-M475 HydrophobicContact CB-CG 4.05Å; L453-M475 HydrophobicContact CD1-SD 3.87Å; L453-M475 HydrophobicContact CD2-CE 4.34Å; L453-M475 HydrophobicContact CD2-SD 3.45Å; L453-M475 WeakPolarHBondContact CD2-SD 3.47Å; L453-M475 HydrophobicContact CG-SD 4.32Å; M475-L480 HydrophobicContact CG-CD1 4.5Å; M475-L485 HydrophobicContact CE-CD2 4.36Å
476	E	84.8	Confident	91.1	Very high	126 Å²	126	42.6 Å²	42.6	59%	0.589	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-24.2	-178.8	-61.1	-171.6	149.6	0	0	113.6	K444 S474	K444-E476 WeakPolarHBondContact CD-OE2 3.3Å; K444-E476 WeakPolarHBondContact CE-OE1 3.27Å; K444-E476 IonicContact NZ-OE1 3.5Å; K444-E476 PolarHBondContact NZ-OE1 2.88Å; K444-E476 IonicContact NZ-OE2 3.51Å; K444-E476 PolarHBondContact NZ-OE2 3.32Å; K444-E476 VanDerWaalsContact NZ-OE2 3.11Å; S474-E476 PolarHBondContact O-N 3.4Å; S474-E476 PolarHBondContact OG-N 3.41Å
477	L	85.3	Confident	91.4	Very high	134 Å²	134	41.6 Å²	41.6	70%	0.702	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	-18.8	-172.4	-53.5	175.3	0	0	0	114.5	W445 S474	W445-L477 HydrophobicContact CH2-CD1 4.14Å; W445-L477 HydrophobicContact CZ2-CD1 4.27Å; S474-L477 PolarHBondContact OG-N 2.92Å; S474-L477 VanDerWaalsContact OG-N 3.1Å
478	D	86.4	Confident	91.7	Very high	69 Å²	69	36.4 Å²	36.4	37%	0.369	17%	0.173	S	C	.	.	S	Bend	trans	-108.9	139.2	177.8	-64.7	-54.9	0	0	0	110	Q473 S474 L480	Q473-D478 WeakPolarHBondContact CA-OD2 3.36Å; Q473-D478 HydrophobicContact CB-CB 4.4Å; S474-D478 PolarHBondContact N-OD2 2.82Å; D478-L480 HydrophobicContact CB-CD2 4.29Å; D478-L480 PolarHBondContact O-N 2.97Å; D478-L480 VanDerWaalsContact O-N 3.16Å
479	K	84.4	Confident	92	Very high	108 Å²	108	31 Å²	31	47%	0.47	15%	0.148	S	C	.	.			trans	-76.5	102.5	170.8	-179.6	159.8	173.8	165.3	0	108.8	E412 E416 H681	E412-K479 IonicContact OE1-NZ 2.69Å; E412-K479 PolarHBondContact OE1-NZ 3.38Å; E416-K479 IonicContact OE1-NZ 3.67Å; E416-K479 PolarHBondContact OE1-NZ 3.47Å; K479-H681 PolarHBondContact O-CE1 3.49Å; K479-H681 PolarHBondContact O-ND1 2.96Å
480	L	87.9	Confident	92.1	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	15%	0.154	C	C	.	.			trans	-82.5	132.6	176.8	-56.1	-178.9	0	0	0	110.4	T419 L446 Q473 M475 D478 E484 L485	T419-L480 WeakPolarHBondContact CG2-O 3.38Å; L446-L480 HydrophobicContact CD2-CD1 4.33Å; Q473-L480 HydrophobicContact CB-CD2 3.79Å; Q473-L480 HydrophobicContact CG-CD2 4.37Å; M475-L480 HydrophobicContact CG-CD1 4.5Å; D478-L480 HydrophobicContact CB-CD2 4.29Å; D478-L480 PolarHBondContact O-N 2.97Å; D478-L480 VanDerWaalsContact O-N 3.16Å; L480-E484 HydrophobicContact CB-CB 4.16Å; L480-E484 HydrophobicContact CD2-CB 4.19Å; L480-E484 HydrophobicContact CD2-CG 4.28Å; L480-L485 HydrophobicContact CD1-CD2 3.76Å; L480-L485 HydrophobicContact CD1-CG 4.4Å
481	G	89.2	Confident	92	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.155	C	C	.	.			trans	-73.2	171	160.6	0	0	0	0	0	111.9	S483 E484	G481-S483 VanDerWaalsContact C-N 3.26Å; G481-S483 PolarHBondContact O-N 3.42Å; G481-E484 VanDerWaalsContact CA-OE2 3.29Å; G481-E484 WeakPolarHBondContact CA-OE2 3.45Å; G481-E484 PolarHBondContact N-OE1 3.45Å; G481-E484 PolarHBondContact N-OE2 3.02Å; G481-E484 PolarHBondContact O-N 3.28Å
482	T	91.8	Very high	92	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.1	178.7	57.6	0	0	0	0	112.1	L418 I422 L485 H683 V684 W688	L418-T482 HydrophobicContact CD2-CG2 4.32Å; L418-T482 HydrophobicContact CG-CG2 4.47Å; I422-T482 HydrophobicContact CD1-CG2 3.88Å; T482-L485 PolarHBondContact O-N 3.27Å; T482-H683 WeakPolarHBondContact OG1-CA 3.2Å; T482-V684 PolarHBondContact OG1-N 3.44Å; T482-V684 VanDerWaalsContact OG1-N 3.14Å; T482-W688 WeakPolarHBondContact O-CH2 3.47Å; T482-W688 WeakPolarHBondContact O-CZ2 3.35Å
483	S	92.2	Very high	92	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67	-35.9	175.5	68.4	0	0	0	0	113.5	G481 L485 L486 R639 I682	G481-S483 VanDerWaalsContact C-N 3.26Å; G481-S483 PolarHBondContact O-N 3.42Å; S483-L485 PolarHBondContact O-N 3.36Å; S483-L486 VanDerWaalsContact O-CB 3.26Å; S483-L486 WeakPolarHBondContact O-CB 3.2Å; S483-L486 PolarHBondContact O-N 3.29Å; S483-L486 VanDerWaalsContact O-N 3.12Å; S483-R639 PolarHBondContact OG-NH1 3.18Å; S483-I682 PolarHBondContact N-O 3.31Å; S483-I682 WeakPolarHBondContact OG-CG1 2.95Å; S483-I682 PolarHBondContact OG-O 3.3Å
484	E	94	Very high	92.2	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.014	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.7	-29	176.9	-71	84.5	132.8	0	0	112.7	T448 L480 G481 R639 H681	T448-E484 HydrophobicContact CG2-CB 4.06Å; T448-E484 HydrophobicContact CG2-CG 4.43Å; L480-E484 HydrophobicContact CB-CB 4.16Å; L480-E484 HydrophobicContact CD2-CB 4.19Å; L480-E484 HydrophobicContact CD2-CG 4.28Å; G481-E484 VanDerWaalsContact CA-OE2 3.29Å; G481-E484 WeakPolarHBondContact CA-OE2 3.45Å; G481-E484 PolarHBondContact N-OE1 3.45Å; G481-E484 PolarHBondContact N-OE2 3.02Å; G481-E484 PolarHBondContact O-N 3.28Å; E484-R639 VanDerWaalsContact CG-NH1 3.29Å; E484-R639 IonicContact OE2-NH1 2.77Å; E484-R639 PolarHBondContact OE2-NH1 2.9Å; E484-H681 IonicContact OE1-CE1 3.16Å; E484-H681 IonicContact OE1-CG 3.19Å; E484-H681 IonicContact OE1-ND1 2.82Å; E484-H681 PolarHBondContact OE1-ND1 3.4Å
485	L	94.8	Very high	92.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-91.2	-6.2	-178.3	-62.7	168.4	0	0	0	113.2	T419 I422 I423 L446 M475 L480 T482 S483 L487 A488 K489	T419-L485 HydrophobicContact CG2-CD1 3.81Å; I422-L485 HydrophobicContact CB-CD1 4.02Å; I422-L485 HydrophobicContact CG2-CB 3.68Å; I422-L485 HydrophobicContact CG2-CD1 3.74Å; I422-L485 HydrophobicContact CG2-CG 4.26Å; I423-L485 HydrophobicContact CD1-CD1 4.36Å; I423-L485 HydrophobicContact CG1-CD1 3.82Å; I423-L485 HydrophobicContact CG1-CD2 3.78Å; I423-L485 HydrophobicContact CG1-CG 4.48Å; L446-L485 HydrophobicContact CD2-CD2 4Å; M475-L485 HydrophobicContact CE-CD2 4.36Å; L480-L485 HydrophobicContact CD1-CD2 3.76Å; L480-L485 HydrophobicContact CD1-CG 4.4Å; T482-L485 PolarHBondContact O-N 3.27Å; S483-L485 PolarHBondContact O-N 3.36Å; L485-L487 PolarHBondContact O-N 3.11Å; L485-A488 WeakPolarHBondContact O-CB 3.24Å; L485-A488 PolarHBondContact O-N 3.1Å; L485-K489 WeakPolarHBondContact O-CB 3.31Å; L485-K489 PolarHBondContact O-N 3.03Å
486	L	94.1	Very high	92.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-45.2	-168.6	-176	58	0	0	0	112.9	S483 N490 L598 H599 D602 L636 V684 Y686 W688	S483-L486 VanDerWaalsContact O-CB 3.26Å; S483-L486 WeakPolarHBondContact O-CB 3.2Å; S483-L486 PolarHBondContact O-N 3.29Å; S483-L486 VanDerWaalsContact O-N 3.12Å; L486-N490 PolarHBondContact O-ND2 2.71Å; L486-L598 HydrophobicContact CD2-CB 3.93Å; L486-H599 HydrophobicContact CD1-CB 4.23Å; L486-H599 HydrophobicContact CG-CB 4.01Å; L486-D602 HydrophobicContact CD2-CB 3.95Å; L486-L636 HydrophobicContact CD2-CD1 4.39Å; L486-L636 HydrophobicContact CD2-CD2 4.49Å; L486-V684 HydrophobicContact CD2-CG2 4.47Å; L486-Y686 HydrophobicContact CD1-CD1 3.67Å; L486-Y686 HydrophobicContact CD1-CD2 3.69Å; L486-Y686 HydrophobicContact CD1-CE1 3.81Å; L486-Y686 HydrophobicContact CD1-CE2 3.8Å; L486-Y686 HydrophobicContact CD1-CG 3.62Å; L486-W688 HydrophobicContact CB-CH2 4.13Å; L486-W688 HydrophobicContact CD1-CH2 3.88Å; L486-W688 HydrophobicContact CD1-CZ2 4.38Å; L486-W688 HydrophobicContact CD1-CZ3 4.38Å
487	L	96.6	Very high	93.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-38.3	172.8	-61	-179.2	0	0	0	111.8	N449 L485 K489 N490 V491 L557 H599 D602 F603	N449-L487 VanDerWaalsContact O-CD1 3.3Å; N449-L487 WeakPolarHBondContact O-CD1 3.49Å; L485-L487 PolarHBondContact O-N 3.11Å; L487-K489 PolarHBondContact O-N 3.4Å; L487-N490 PolarHBondContact O-N 3.2Å; L487-N490 VanDerWaalsContact O-N 3.08Å; L487-V491 WeakPolarHBondContact O-CB 3.47Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 2.91Å; L487-L557 HydrophobicContact CD2-CD1 4.32Å; L487-L557 HydrophobicContact CD2-CD2 4.25Å; L487-H599 HydrophobicContact CD2-CB 4.29Å; L487-H599 VanDerWaalsContact CD2-O 3.26Å; L487-H599 WeakPolarHBondContact CD2-O 3.31Å; L487-D602 WeakPolarHBondContact CG-OD2 3.37Å; L487-F603 HydrophobicContact CD1-CB 4.39Å; L487-F603 HydrophobicContact CD1-CD2 4.06Å; L487-F603 HydrophobicContact CD2-CB 3.86Å; L487-F603 HydrophobicContact CD2-CD2 4.37Å
488	A	95.6	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.6	179.8	0	0	0	0	0	112.3	V426 L446 L485 N490	V426-A488 HydrophobicContact CG1-CB 3.84Å; V426-A488 HydrophobicContact CG2-CB 4Å; L446-A488 HydrophobicContact CD1-CB 3.63Å; L446-A488 HydrophobicContact CD2-CB 4.08Å; L485-A488 WeakPolarHBondContact O-CB 3.24Å; L485-A488 PolarHBondContact O-N 3.1Å; A488-N490 VanDerWaalsContact C-N 3.31Å; A488-N490 PolarHBondContact O-N 2.75Å
489	K	94.5	Very high	94.3	Very high	27 Å²	27	20.4 Å²	20.4	12%	0.117	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20	179.8	-180	71.5	-152.3	85.4	0	114.8	I422 D425 V426 M429 L485 L487 W688 L690	I422-K489 HydrophobicContact CG2-CD 4.4Å; D425-K489 WeakPolarHBondContact OD2-CE 3.42Å; D425-K489 IonicContact OD2-NZ 2.64Å; D425-K489 PolarHBondContact OD2-NZ 2.98Å; V426-K489 HydrophobicContact CG2-CB 4.09Å; V426-K489 HydrophobicContact CG2-CD 4.41Å; M429-K489 WeakPolarHBondContact CE-O 3.36Å; L485-K489 WeakPolarHBondContact O-CB 3.31Å; L485-K489 PolarHBondContact O-N 3.03Å; L487-K489 PolarHBondContact O-N 3.4Å; K489-W688 HydrophobicContact CB-CE3 4.21Å; K489-W688 HydrophobicContact CB-CZ3 3.79Å; K489-W688 HydrophobicContact CD-CE3 4.16Å; K489-W688 WeakPolarHBondContact CE-O 3.36Å; K489-W688 HydrophobicContact CG-CE3 3.73Å; K489-W688 HydrophobicContact CG-CZ3 3.84Å; K489-L690 HydrophobicContact CD-CD2 4.45Å
490	N	94.9	Very high	94.8	Very high	50 Å²	50	15.4 Å²	15.4	27%	0.267	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-6.8	-171.3	-63.6	-76.4	0	0	0	114	L486 L487 A488 L557 H599 Y686	L486-N490 PolarHBondContact O-ND2 2.71Å; L487-N490 PolarHBondContact O-N 3.2Å; L487-N490 VanDerWaalsContact O-N 3.08Å; A488-N490 VanDerWaalsContact C-N 3.31Å; A488-N490 PolarHBondContact O-N 2.75Å; N490-L557 HydrophobicContact CB-CD2 3.7Å; N490-H599 HydrophobicContact CB-CB 4.47Å; N490-Y686 PolarHBondContact ND2-OH 2.97Å; N490-Y686 PolarHBondContact OD1-OH 3.33Å
491	V	96.4	Very high	95.2	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.03	9%	0.087	C	C	.	.	S	Bend	trans	-106.9	-77.8	179.4	178.8	0	0	0	0	111.7	L487 F496 L557 I561	L487-V491 WeakPolarHBondContact O-CB 3.47Å; L487-V491 WeakPolarHBondContact O-CG2 3.48Å; L487-V491 PolarHBondContact O-N 2.91Å; V491-F496 HydrophobicContact CG1-CB 3.88Å; V491-F496 HydrophobicContact CG1-CD2 3.92Å; V491-F496 HydrophobicContact CG1-CG 4.37Å; V491-L557 HydrophobicContact CG2-CD2 3.6Å; V491-L557 HydrophobicContact CG2-CG 4.21Å; V491-I561 HydrophobicContact CG1-CD1 4.06Å; V491-I561 HydrophobicContact CG2-CD1 3.59Å
492	G	94.8	Very high	95.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	10%	0.104	C	C	.	.			trans	76.1	147	-174.4	0	0	0	0	0	114.6	S494 F496	G492-S494 PolarHBondContact O-N 2.63Å; G492-F496 WeakPolarHBondContact O-CB 3.26Å; G492-F496 PolarHBondContact O-N 2.91Å; G492-F496 VanDerWaalsContact O-N 3.1Å
493	N	97.9	Very high	95.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-31.3	-171.9	-79.8	-8.7	0	0	0	114.6	G431 N432 I434 C436 I452 L453 N497	G431-N493 VanDerWaalsContact O-CB 3.29Å; G431-N493 WeakPolarHBondContact O-CB 3.44Å; G431-N493 PolarHBondContact O-ND2 3.13Å; N432-N493 WeakPolarHBondContact OD1-CB 3.3Å; N432-N493 PolarHBondContact OD1-N 2.94Å; I434-N493 PolarHBondContact O-ND2 3.21Å; C436-N493 WeakPolarHBondContact CB-OD1 3.28Å; C436-N493 PolarHBondContact N-ND2 2.98Å; I452-N493 WeakPolarHBondContact CA-OD1 3.17Å; I452-N493 VanDerWaalsContact CB-OD1 3.27Å; I452-N493 WeakPolarHBondContact CB-OD1 3.36Å; L453-N493 PolarHBondContact N-OD1 2.91Å; L453-N493 PolarHBondContact O-ND2 3.18Å; N493-N497 WeakPolarHBondContact O-CB 3.37Å; N493-N497 VanDerWaalsContact O-CG 3.29Å; N493-N497 PolarHBondContact O-N 2.65Å; N493-N497 PolarHBondContact O-ND2 3.39Å; N493-N497 VanDerWaalsContact O-ND2 3.1Å
494	S	97.3	Very high	95.4	Very high	44 Å²	44	25 Å²	25	31%	0.308	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-59.8	176.8	-174.1	0	0	0	0	110.6	P430 G492 F496 N497 E498	P430-S494 VanDerWaalsContact O-CB 3.24Å; P430-S494 WeakPolarHBondContact O-CB 3.33Å; P430-S494 PolarHBondContact O-N 2.53Å; G492-S494 PolarHBondContact O-N 2.63Å; S494-F496 VanDerWaalsContact C-N 3.27Å; S494-F496 PolarHBondContact O-N 2.71Å; S494-N497 CarbonylContact O-C 3.5Å; S494-N497 PolarHBondContact O-N 2.95Å; S494-E498 WeakPolarHBondContact O-CG 3.43Å; S494-E498 PolarHBondContact O-N 2.92Å; S494-E498 PolarHBondContact OG-OE1 3.24Å
495	S	97.1	Very high	95.1	Very high	32 Å²	32	28.1 Å²	28.1	22%	0.224	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-29.3	-174.8	-55.8	0	0	0	0	112.8
496	F	97.7	Very high	94.5	Very high	4 Å²	4	34 Å²	34	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-44.2	168.8	-169.7	-92.5	0	0	0	112.6	L450 I452 V491 G492 S494 I499 M500 Y528 I561	L450-F496 HydrophobicContact CB-CE2 4.2Å; L450-F496 HydrophobicContact CB-CZ 4.44Å; L450-F496 HydrophobicContact CD1-CZ 4.38Å; L450-F496 HydrophobicContact CD2-CE2 4.48Å; I452-F496 HydrophobicContact CD1-CE1 4.16Å; I452-F496 HydrophobicContact CD1-CZ 4.42Å; I452-F496 HydrophobicContact CG2-CB 3.66Å; I452-F496 HydrophobicContact CG2-CD1 3.6Å; I452-F496 HydrophobicContact CG2-CD2 3.63Å; I452-F496 HydrophobicContact CG2-CE1 4.09Å; I452-F496 HydrophobicContact CG2-CE2 4.13Å; I452-F496 HydrophobicContact CG2-CG 3.33Å; I452-F496 HydrophobicContact CG2-CZ 4.33Å; V491-F496 HydrophobicContact CG1-CB 3.88Å; V491-F496 HydrophobicContact CG1-CD2 3.92Å; V491-F496 HydrophobicContact CG1-CG 4.37Å; G492-F496 WeakPolarHBondContact O-CB 3.26Å; G492-F496 PolarHBondContact O-N 2.91Å; G492-F496 VanDerWaalsContact O-N 3.1Å; S494-F496 VanDerWaalsContact C-N 3.27Å; S494-F496 PolarHBondContact O-N 2.71Å; F496-I499 PolarHBondContact O-N 3Å; F496-M500 HydrophobicContact CD1-CB 4.15Å; F496-M500 HydrophobicContact CD1-CG 3.93Å; F496-M500 HydrophobicContact CE1-CB 3.92Å; F496-M500 HydrophobicContact CE1-CG 3.52Å; F496-M500 HydrophobicContact CE2-CG 4.22Å; F496-M500 HydrophobicContact CG-CG 4.45Å; F496-M500 HydrophobicContact CZ-CE 4.28Å; F496-M500 HydrophobicContact CZ-CG 3.68Å; F496-M500 WeakPolarHBondContact O-CB 3.34Å; F496-M500 WeakPolarHBondContact O-CG 3.29Å; F496-M500 PolarHBondContact O-N 3.44Å; F496-Y528 HydrophobicContact CE1-CD1 4.46Å; F496-Y528 AromaticContact CE1-CE1 3.5Å; F496-Y528 HydrophobicContact CE1-CE1 3.5Å; F496-Y528 HydrophobicContact CZ-CD1 4.32Å; F496-Y528 AromaticContact CZ-CE1 3.67Å; F496-Y528 HydrophobicContact CZ-CE1 3.67Å; F496-I561 HydrophobicContact CD2-CG2 4.27Å; F496-I561 HydrophobicContact CE2-CG2 4.24Å
497	N	96.8	Very high	93.9	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.144	24%	0.24	C	C	.	.	H	α-helix	trans	-72.7	-29	178.3	-73.6	-29.3	0	0	0	112.8	C436 N493 S494 I499 M500 E501 K527	C436-N497 PolarHBondContact O-ND2 3.34Å; C436-N497 PolarHBondContact SG-OD1 3.26Å; C436-N497 VanDerWaalsContact SG-OD1 3.37Å; N493-N497 WeakPolarHBondContact O-CB 3.37Å; N493-N497 VanDerWaalsContact O-CG 3.29Å; N493-N497 PolarHBondContact O-N 2.65Å; N493-N497 PolarHBondContact O-ND2 3.39Å; N493-N497 VanDerWaalsContact O-ND2 3.1Å; S494-N497 CarbonylContact O-C 3.5Å; S494-N497 PolarHBondContact O-N 2.95Å; N497-I499 PolarHBondContact O-N 3.23Å; N497-M500 PolarHBondContact O-N 2.85Å; N497-E501 HydrophobicContact CB-CB 4.42Å; N497-E501 HydrophobicContact CB-CG 4.28Å; N497-E501 WeakPolarHBondContact O-CA 3.21Å; N497-E501 WeakPolarHBondContact O-CB 3.21Å; N497-E501 PolarHBondContact O-N 2.98Å; N497-E501 PolarHBondContact OD1-OE1 3.18Å; N497-K527 WeakPolarHBondContact OD1-CE 3.17Å; N497-K527 PolarHBondContact OD1-NZ 2.71Å
498	E	96	Very high	93.5	Very high	101 Å²	101	42.8 Å²	42.8	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-59.7	-23.6	170.9	-72.1	166.9	-125.4	0	0	113	S494 A502 R535	S494-E498 WeakPolarHBondContact O-CG 3.43Å; S494-E498 PolarHBondContact O-N 2.92Å; S494-E498 PolarHBondContact OG-OE1 3.24Å; E498-A502 WeakPolarHBondContact O-CB 3.04Å; E498-R535 PolarHBondContact O-NH2 3.32Å
499	I	96.2	Very high	93.2	Very high	11 Å²	11	45 Å²	45	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-91	-60	170.3	-66.2	163.9	0	0	0	110.2	F496 N497 E501 A534 R535 L558 I561 Q562 A565	F496-I499 PolarHBondContact O-N 3Å; N497-I499 PolarHBondContact O-N 3.23Å; I499-E501 PolarHBondContact O-N 3.24Å; I499-A534 CarbonylContact O-C 3.57Å; I499-A534 WeakPolarHBondContact O-CA 3.3Å; I499-R535 PolarHBondContact O-N 3.42Å; I499-L558 HydrophobicContact CD1-CB 4.16Å; I499-L558 HydrophobicContact CD1-CD2 4.32Å; I499-L558 VanDerWaalsContact CD1-O 3.23Å; I499-L558 WeakPolarHBondContact CD1-O 3.36Å; I499-I561 HydrophobicContact CD1-CB 4.04Å; I499-I561 HydrophobicContact CD1-CG2 3.8Å; I499-I561 HydrophobicContact CG2-CG2 4.31Å; I499-Q562 HydrophobicContact CD1-CB 4.48Å; I499-Q562 HydrophobicContact CG2-CB 4.42Å; I499-A565 HydrophobicContact CG2-CB 3.9Å
500	M	96.1	Very high	93.2	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-79.9	-13.3	-164.4	-68.3	-68.6	-76.8	0	0	114.8	F496 N497 K527 Y528 Y533 A534 A565	F496-M500 HydrophobicContact CD1-CB 4.15Å; F496-M500 HydrophobicContact CD1-CG 3.93Å; F496-M500 HydrophobicContact CE1-CB 3.92Å; F496-M500 HydrophobicContact CE1-CG 3.52Å; F496-M500 HydrophobicContact CE2-CG 4.22Å; F496-M500 HydrophobicContact CG-CG 4.45Å; F496-M500 HydrophobicContact CZ-CE 4.28Å; F496-M500 HydrophobicContact CZ-CG 3.68Å; F496-M500 WeakPolarHBondContact O-CB 3.34Å; F496-M500 WeakPolarHBondContact O-CG 3.29Å; F496-M500 PolarHBondContact O-N 3.44Å; N497-M500 PolarHBondContact O-N 2.85Å; M500-K527 WeakPolarHBondContact CE-O 3.33Å; M500-Y528 HydrophobicContact CE-CD1 4.33Å; M500-Y533 CarbonylContact O-C 3.51Å; M500-Y533 WeakPolarHBondContact O-CB 3.48Å; M500-A534 PolarHBondContact O-N 3.06Å; M500-A534 HydrophobicContact SD-CB 4.19Å; M500-A565 HydrophobicContact SD-CB 3.42Å; M500-A565 WeakPolarHBondContact SD-CB 3.47Å
501	E	95.4	Very high	93.2	Very high	23 Å²	23	44.3 Å²	44.3	11%	0.107	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	14.3	177.4	-57.7	-176.4	173.6	0	0	112.2	N497 I499 N503 L504 K510 F523 K527 Y533	N497-E501 HydrophobicContact CB-CB 4.42Å; N497-E501 HydrophobicContact CB-CG 4.28Å; N497-E501 WeakPolarHBondContact O-CA 3.21Å; N497-E501 WeakPolarHBondContact O-CB 3.21Å; N497-E501 PolarHBondContact O-N 2.98Å; N497-E501 PolarHBondContact OD1-OE1 3.18Å; I499-E501 PolarHBondContact O-N 3.24Å; E501-N503 PolarHBondContact O-N 3.44Å; E501-L504 HydrophobicContact CB-CB 4.4Å; E501-L504 HydrophobicContact CB-CD2 4.39Å; E501-L504 WeakPolarHBondContact O-CB 3.41Å; E501-L504 PolarHBondContact O-N 3.13Å; E501-L504 VanDerWaalsContact O-N 3.08Å; E501-K510 IonicContact OE1-NZ 2.64Å; E501-K510 PolarHBondContact OE1-NZ 3.29Å; E501-K510 IonicContact OE2-NZ 2.6Å; E501-K510 PolarHBondContact OE2-NZ 3.34Å; E501-F523 WeakPolarHBondContact OE1-CZ 3.47Å; E501-K527 HydrophobicContact CG-CD 4.28Å; E501-K527 WeakPolarHBondContact OE1-CE 3.3Å; E501-K527 IonicContact OE1-NZ 2.71Å; E501-K527 PolarHBondContact OE1-NZ 2.86Å; E501-Y533 CarbonylContact C-O 3.5Å
502	A	93.1	Very high	93.2	Very high	44 Å²	44	46 Å²	46	36%	0.364	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.6	-177.1	0	0	0	0	0	114.6	E498 Y533 R535	E498-A502 WeakPolarHBondContact O-CB 3.04Å; A502-Y533 PolarHBondContact N-O 2.98Å; A502-R535 HydrophobicContact CB-CB 3.61Å; A502-R535 HydrophobicContact CB-CG 4.2Å
503	N	91.9	Very high	93.2	Very high	100 Å²	100	49.5 Å²	49.5	54%	0.535	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	23.6	179.1	-73.5	-47.6	0	0	0	112.4	E501 S505 Y533 A534	E501-N503 PolarHBondContact O-N 3.44Å; N503-S505 PolarHBondContact O-N 2.97Å; N503-Y533 WeakPolarHBondContact CB-O 3.44Å; N503-Y533 PolarHBondContact N-O 3.13Å; N503-A534 PolarHBondContact ND2-O 3.43Å
504	L	91.8	Very high	93	Very high	48 Å²	48	54.7 Å²	54.7	25%	0.251	34%	0.343	S	S	.	.			trans	-64.4	126.2	177.2	-168.1	67.7	0	0	0	110.9	E501 S508 P509 K510 F523 Y533	E501-L504 HydrophobicContact CB-CB 4.4Å; E501-L504 HydrophobicContact CB-CD2 4.39Å; E501-L504 WeakPolarHBondContact O-CB 3.41Å; E501-L504 PolarHBondContact O-N 3.13Å; E501-L504 VanDerWaalsContact O-N 3.08Å; L504-S508 WeakPolarHBondContact CD2-OG 3.48Å; L504-P509 HydrophobicContact CD1-CG 3.64Å; L504-K510 HydrophobicContact CD2-CB 4.28Å; L504-F523 HydrophobicContact CD1-CE2 3.84Å; L504-F523 HydrophobicContact CD1-CZ 4.42Å; L504-Y533 HydrophobicContact CD1-CD1 3.84Å; L504-Y533 HydrophobicContact CD1-CD2 4.46Å; L504-Y533 HydrophobicContact CD1-CE1 4.11Å; L504-Y533 HydrophobicContact CD1-CG 4.01Å
505	S	87.6	Confident	92.9	Very high	68 Å²	68	54 Å²	54	48%	0.476	34%	0.338	S	S	.	.			trans	-69.2	160.6	-176.4	59	0	0	0	0	112.9	N503 P507 S508 P509	N503-S505 PolarHBondContact O-N 2.97Å; S505-P507 CarbonylContact C-O 3.58Å; S505-P507 CarbonylContact O-C 3.6Å; S505-P507 VanDerWaalsContact O-C 3.22Å; S505-P507 PolarHBondContact OG-O 3.48Å; S505-S508 VanDerWaalsContact O-CA 3.25Å; S505-S508 WeakPolarHBondContact O-CA 3.29Å; S505-S508 PolarHBondContact O-N 2.94Å; S505-P509 WeakPolarHBondContact OG-CD 3.31Å
506	S	82.8	Confident	92.7	Very high	124 Å²	124	56.5 Å²	56.5	87%	0.867	35%	0.349	S	S	*	.	S	Bend	trans	-113.3	125.1	165.8	-170.7	0	0	0	0	109.9
507	P	82.2	Confident	92.6	Very high	117 Å²	117	60.3 Å²	60.3	76%	0.76	37%	0.368	S	S	*	.	S	Bend	cis	-64.2	153.1	-1.9	29.7	-36.5	0	0	0	112.9	S505	S505-P507 CarbonylContact C-O 3.58Å; S505-P507 CarbonylContact O-C 3.6Å; S505-P507 VanDerWaalsContact O-C 3.22Å; S505-P507 PolarHBondContact OG-O 3.48Å
508	S	86.9	Confident	92.5	Very high	67 Å²	67	63.2 Å²	63.2	47%	0.469	39%	0.387	S	S	.	.			trans	-72.8	131.8	-176.1	-178.4	0	0	0	0	111.9	L504 S505 K510	L504-S508 WeakPolarHBondContact CD2-OG 3.48Å; S505-S508 VanDerWaalsContact O-CA 3.25Å; S505-S508 WeakPolarHBondContact O-CA 3.29Å; S505-S508 PolarHBondContact O-N 2.94Å; S508-K510 VanDerWaalsContact OG-CB 3.25Å; S508-K510 WeakPolarHBondContact OG-CB 3.4Å; S508-K510 PolarHBondContact OG-N 3.45Å; S508-K510 VanDerWaalsContact OG-N 3.12Å
509	P	89.4	Confident	92.4	Very high	48 Å²	48	61.2 Å²	61.2	31%	0.312	38%	0.381	S	S	.	.			trans	-81.6	1.5	169.1	34.9	-36	0	0	0	113	L504 S505 F523 Y533	L504-P509 HydrophobicContact CD1-CG 3.64Å; S505-P509 WeakPolarHBondContact OG-CD 3.31Å; P509-F523 HydrophobicContact CG-CD2 4.48Å; P509-F523 HydrophobicContact CG-CE2 4.43Å; P509-F523 WeakPolarHBondContact O-CD2 3.35Å; P509-Y533 HydrophobicContact CG-CE1 3.77Å
510	K	94.7	Very high	92.5	Very high	55 Å²	55	60.9 Å²	60.9	24%	0.239	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-67	127.3	-179.8	-171.4	171.6	-179.9	126.7	0	110.4	C436 D437 E501 L504 S508 F523	C436-K510 PolarHBondContact O-NZ 2.9Å; D437-K510 VanDerWaalsContact O-CE 3.32Å; D437-K510 WeakPolarHBondContact O-CE 3.5Å; D437-K510 WeakPolarHBondContact O-CG 3.45Å; E501-K510 IonicContact OE1-NZ 2.64Å; E501-K510 PolarHBondContact OE1-NZ 3.29Å; E501-K510 IonicContact OE2-NZ 2.6Å; E501-K510 PolarHBondContact OE2-NZ 3.34Å; L504-K510 HydrophobicContact CD2-CB 4.28Å; S508-K510 VanDerWaalsContact OG-CB 3.25Å; S508-K510 WeakPolarHBondContact OG-CB 3.4Å; S508-K510 PolarHBondContact OG-N 3.45Å; S508-K510 VanDerWaalsContact OG-N 3.12Å; K510-F523 HydrophobicContact CB-CE2 4.01Å; K510-F523 HydrophobicContact CB-CZ 3.94Å; K510-F523 HydrophobicContact CD-CZ 4.37Å; K510-F523 HydrophobicContact CG-CE1 3.99Å; K510-F523 HydrophobicContact CG-CE2 4.36Å; K510-F523 HydrophobicContact CG-CZ 3.81Å
511	P	96.2	Very high	92.5	Very high	7 Å²	7	65 Å²	65	5%	0.045	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66.6	158.1	-178.7	26.8	-34.8	0	0	0	112.2	D437 C438 V519 R520 F523	D437-P511 WeakPolarHBondContact O-CD 3.35Å; D437-P511 WeakPolarHBondContact O-CG 3.36Å; C438-P511 CarbonylContact C-O 3.51Å; C438-P511 VanDerWaalsContact CA-O 3.32Å; C438-P511 WeakPolarHBondContact CA-O 3.45Å; C438-P511 HydrophobicContact CB-CB 4.29Å; C438-P511 HydrophobicContact CB-CG 3.93Å; P511-V519 HydrophobicContact CB-CG1 4.39Å; P511-R520 HydrophobicContact CB-CG 3.83Å; P511-R520 HydrophobicContact CG-CG 4.09Å; P511-F523 HydrophobicContact CG-CB 4.27Å; P511-F523 HydrophobicContact CG-CD1 4.04Å; P511-F523 HydrophobicContact CG-CG 4.28Å
512	S	95	Very high	92.6	Very high	41 Å²	41	70.4 Å²	70.4	29%	0.287	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-94.6	172.2	168.3	72.7	0	0	0	0	111	C438 S514 S515	C438-S512 CarbonylContact O-C 3.58Å; S512-S514 PolarHBondContact O-N 3.44Å; S512-S514 VanDerWaalsContact O-N 3.1Å; S512-S514 PolarHBondContact OG-N 3.04Å; S512-S514 VanDerWaalsContact OG-N 3.12Å; S512-S514 PolarHBondContact OG-OG 3.2Å; S512-S515 PolarHBondContact N-OG 3.43Å; S512-S515 WeakPolarHBondContact O-CB 3.47Å; S512-S515 PolarHBondContact O-N 3.06Å; S512-S515 VanDerWaalsContact O-N 3.14Å; S512-S515 PolarHBondContact OG-N 3.35Å; S512-S515 VanDerWaalsContact OG-N 3.09Å; S512-S515 PolarHBondContact OG-OG 2.9Å
513	P	95	Very high	92.8	Very high	73 Å²	73	68.5 Å²	68.5	47%	0.474	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.2	169.3	-20.8	34.9	0	0	0	113.7	C438 A440 R520	C438-P513 WeakPolarHBondContact O-CD 3.23Å; A440-P513 HydrophobicContact CB-CB 3.94Å; A440-P513 HydrophobicContact CB-CG 3.99Å; P513-R520 PolarHBondContact O-NH2 2.72Å; P513-R520 VanDerWaalsContact O-NH2 3.08Å
514	S	93.3	Very high	93.1	Very high	111 Å²	111	63.7 Å²	63.7	78%	0.776	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-1.6	177.4	55.4	0	0	0	0	113.8	S512	S512-S514 PolarHBondContact O-N 3.44Å; S512-S514 VanDerWaalsContact O-N 3.1Å; S512-S514 PolarHBondContact OG-N 3.04Å; S512-S514 VanDerWaalsContact OG-N 3.12Å; S512-S514 PolarHBondContact OG-OG 3.2Å
515	S	94.9	Very high	93.4	Very high	29 Å²	29	63.8 Å²	63.8	20%	0.203	38%	0.381	C	S	.	.	S	Bend	trans	-68.7	145.2	172.6	-64.6	0	0	0	0	111.1	S512 R520	S512-S515 PolarHBondContact N-OG 3.43Å; S512-S515 WeakPolarHBondContact O-CB 3.47Å; S512-S515 PolarHBondContact O-N 3.06Å; S512-S515 VanDerWaalsContact O-N 3.14Å; S512-S515 PolarHBondContact OG-N 3.35Å; S512-S515 VanDerWaalsContact OG-N 3.09Å; S512-S515 PolarHBondContact OG-OG 2.9Å; S515-R520 PolarHBondContact O-NE 2.71Å; S515-R520 PolarHBondContact O-NH2 3.16Å
516	D	94.5	Very high	93.8	Very high	85 Å²	85	60.8 Å²	60.8	46%	0.455	36%	0.36	S	S	.	.			trans	-71.4	166.9	176.5	70.8	89.2	0	0	0	112.8	T518 V519 R520	D516-T518 PolarHBondContact O-N 3.23Å; D516-T518 WeakPolarHBondContact OD1-CA 3.41Å; D516-T518 WeakPolarHBondContact OD1-CB 3.44Å; D516-T518 PolarHBondContact OD1-N 2.92Å; D516-T518 PolarHBondContact OD1-OG1 3.16Å; D516-V519 PolarHBondContact O-N 3.2Å; D516-V519 PolarHBondContact OD1-N 3.45Å; D516-V519 WeakPolarHBondContact OD2-CG2 3.38Å; D516-R520 WeakPolarHBondContact O-CG 3.41Å; D516-R520 PolarHBondContact O-N 3.22Å; D516-R520 VanDerWaalsContact O-N 3.15Å
517	M	94	Very high	94.5	Very high	85 Å²	85	54.9 Å²	54.9	42%	0.419	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-24.1	-175.6	-66	-59.2	-69.8	0	0	113.8	E457 I461 K521	E457-M517 HydrophobicContact CB-SD 4.13Å; I461-M517 HydrophobicContact CD1-CE 3.75Å; I461-M517 HydrophobicContact CG1-CE 3.77Å; M517-K521 WeakPolarHBondContact O-CB 3.32Å; M517-K521 PolarHBondContact O-N 2.69Å
518	T	94.9	Very high	95.2	Very high	88 Å²	88	49.7 Å²	49.7	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-70.4	-52.9	178	-25.3	0	0	0	0	109.9	D516 R520 K521 E522	D516-T518 PolarHBondContact O-N 3.23Å; D516-T518 WeakPolarHBondContact OD1-CA 3.41Å; D516-T518 WeakPolarHBondContact OD1-CB 3.44Å; D516-T518 PolarHBondContact OD1-N 2.92Å; D516-T518 PolarHBondContact OD1-OG1 3.16Å; T518-R520 VanDerWaalsContact C-N 3.29Å; T518-R520 PolarHBondContact O-N 3.25Å; T518-K521 PolarHBondContact O-N 3.37Å; T518-E522 WeakPolarHBondContact O-CG 3.39Å; T518-E522 PolarHBondContact O-N 3.27Å
519	V	95.5	Very high	95.6	Very high	58 Å²	58	49.8 Å²	49.8	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-40.8	178.5	177.8	0	0	0	0	110.9	P511 D516 F523	P511-V519 HydrophobicContact CB-CG1 4.39Å; D516-V519 PolarHBondContact O-N 3.2Å; D516-V519 PolarHBondContact OD1-N 3.45Å; D516-V519 WeakPolarHBondContact OD2-CG2 3.38Å; V519-F523 WeakPolarHBondContact O-CB 3.3Å; V519-F523 PolarHBondContact O-N 2.97Å
520	R	97.6	Very high	95.8	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-44.7	173.2	-66.8	177.1	-168.7	-150.1	24.2	112.1	E457 I461 P511 P513 S515 D516 T518 F523 I524	E457-R520 IonicContact OE1-NH2 3.13Å; E457-R520 IonicContact OE2-CZ 3.57Å; E457-R520 IonicContact OE2-NH1 2.75Å; E457-R520 PolarHBondContact OE2-NH1 2.96Å; E457-R520 IonicContact OE2-NH2 3.15Å; E457-R520 PolarHBondContact OE2-NH2 2.98Å; I461-R520 HydrophobicContact CD1-CB 3.59Å; P511-R520 HydrophobicContact CB-CG 3.83Å; P511-R520 HydrophobicContact CG-CG 4.09Å; P513-R520 PolarHBondContact O-NH2 2.72Å; P513-R520 VanDerWaalsContact O-NH2 3.08Å; S515-R520 PolarHBondContact O-NE 2.71Å; S515-R520 PolarHBondContact O-NH2 3.16Å; D516-R520 WeakPolarHBondContact O-CG 3.41Å; D516-R520 PolarHBondContact O-N 3.22Å; D516-R520 VanDerWaalsContact O-N 3.15Å; T518-R520 VanDerWaalsContact C-N 3.29Å; T518-R520 PolarHBondContact O-N 3.25Å; R520-F523 PolarHBondContact O-N 3.49Å; R520-I524 VanDerWaalsContact O-CB 3.31Å; R520-I524 WeakPolarHBondContact O-CB 3.27Å; R520-I524 VanDerWaalsContact O-CG1 3.25Å; R520-I524 WeakPolarHBondContact O-CG1 3.21Å; R520-I524 PolarHBondContact O-N 3.2Å
521	K	96.9	Very high	95.8	Very high	90 Å²	90	51.5 Å²	51.5	39%	0.391	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-41.8	-179.1	-177.6	166.6	178.4	168.5	0	112	I461 E464 M517 T518 N525	I461-K521 HydrophobicContact CD1-CB 4.18Å; I461-K521 HydrophobicContact CG1-CB 4.48Å; I461-K521 HydrophobicContact CG2-CB 4.23Å; I461-K521 HydrophobicContact CG2-CG 4.11Å; E464-K521 WeakPolarHBondContact OE2-CE 3.44Å; E464-K521 IonicContact OE2-NZ 3.33Å; E464-K521 PolarHBondContact OE2-NZ 2.92Å; M517-K521 WeakPolarHBondContact O-CB 3.32Å; M517-K521 PolarHBondContact O-N 2.69Å; T518-K521 PolarHBondContact O-N 3.37Å; K521-N525 WeakPolarHBondContact CG-ND2 3.34Å; K521-N525 WeakPolarHBondContact O-CB 3.22Å; K521-N525 PolarHBondContact O-N 3.39Å; K521-N525 PolarHBondContact O-ND2 3.25Å
522	E	96.6	Very high	95.7	Very high	135 Å²	135	57.1 Å²	57.1	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-60.9	-47.4	174.2	-72.2	177.9	-173.7	0	0	111.6	T518 A526	T518-E522 WeakPolarHBondContact O-CG 3.39Å; T518-E522 PolarHBondContact O-N 3.27Å; E522-A526 VanDerWaalsContact O-CB 3.27Å; E522-A526 WeakPolarHBondContact O-CB 3.41Å; E522-A526 PolarHBondContact O-N 3.45Å
523	F	97.8	Very high	95.7	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-45.8	178.2	-179.1	-100.3	0	0	0	112.9	D437 E501 L504 P509 K510 P511 V519 R520 A526 K527 Y533	D437-F523 HydrophobicContact CB-CD1 4.44Å; D437-F523 HydrophobicContact CB-CE1 4.34Å; E501-F523 WeakPolarHBondContact OE1-CZ 3.47Å; L504-F523 HydrophobicContact CD1-CE2 3.84Å; L504-F523 HydrophobicContact CD1-CZ 4.42Å; P509-F523 HydrophobicContact CG-CD2 4.48Å; P509-F523 HydrophobicContact CG-CE2 4.43Å; P509-F523 WeakPolarHBondContact O-CD2 3.35Å; K510-F523 HydrophobicContact CB-CE2 4.01Å; K510-F523 HydrophobicContact CB-CZ 3.94Å; K510-F523 HydrophobicContact CD-CZ 4.37Å; K510-F523 HydrophobicContact CG-CE1 3.99Å; K510-F523 HydrophobicContact CG-CE2 4.36Å; K510-F523 HydrophobicContact CG-CZ 3.81Å; P511-F523 HydrophobicContact CG-CB 4.27Å; P511-F523 HydrophobicContact CG-CD1 4.04Å; P511-F523 HydrophobicContact CG-CG 4.28Å; V519-F523 WeakPolarHBondContact O-CB 3.3Å; V519-F523 PolarHBondContact O-N 2.97Å; R520-F523 PolarHBondContact O-N 3.49Å; F523-A526 PolarHBondContact O-N 2.9Å; F523-K527 HydrophobicContact CE1-CD 3.89Å; F523-K527 HydrophobicContact CZ-CD 4.23Å; F523-K527 WeakPolarHBondContact O-CB 3.33Å; F523-K527 PolarHBondContact O-N 2.93Å; F523-Y533 AromaticContact CD2-CE2 3.73Å; F523-Y533 HydrophobicContact CD2-CE2 3.73Å; F523-Y533 AromaticContact CE2-CD2 4Å; F523-Y533 HydrophobicContact CE2-CD2 4Å; F523-Y533 AromaticContact CE2-CE2 3.56Å; F523-Y533 HydrophobicContact CE2-CE2 3.56Å; F523-Y533 HydrophobicContact CZ-CE2 4.41Å
524	I	98.1	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-44.3	-178.4	-72.5	169.3	0	0	0	110.7	D437 C458 I461 M465 R520 A526 K527 Y528	D437-I524 HydrophobicContact CB-CD1 4.12Å; D437-I524 HydrophobicContact CB-CG1 3.89Å; C458-I524 HydrophobicContact CB-CD1 3.9Å; I461-I524 HydrophobicContact CB-CD1 4.13Å; I461-I524 HydrophobicContact CD1-CD1 3.9Å; I461-I524 HydrophobicContact CG2-CB 4.02Å; I461-I524 HydrophobicContact CG2-CD1 4.13Å; I461-I524 HydrophobicContact CG2-CG2 3.7Å; M465-I524 HydrophobicContact CE-CG2 3.59Å; M465-I524 HydrophobicContact SD-CG2 3.77Å; R520-I524 VanDerWaalsContact O-CB 3.31Å; R520-I524 WeakPolarHBondContact O-CB 3.27Å; R520-I524 VanDerWaalsContact O-CG1 3.25Å; R520-I524 WeakPolarHBondContact O-CG1 3.21Å; R520-I524 PolarHBondContact O-N 3.2Å; I524-A526 PolarHBondContact O-N 3.18Å; I524-K527 PolarHBondContact O-N 3.48Å; I524-K527 VanDerWaalsContact O-N 3.15Å; I524-Y528 HydrophobicContact CG2-CD2 3.83Å; I524-Y528 HydrophobicContact CG2-CE2 4.17Å; I524-Y528 VanDerWaalsContact O-CD2 3.26Å; I524-Y528 WeakPolarHBondContact O-CD2 3.35Å; I524-Y528 PolarHBondContact O-N 3.44Å
525	N	97.5	Very high	95.4	Very high	50 Å²	50	52.9 Å²	52.9	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-43.3	174.5	-75.9	-86.4	0	0	0	111.4	K521 K527 Y528 V529 D530	K521-N525 WeakPolarHBondContact CG-ND2 3.34Å; K521-N525 WeakPolarHBondContact O-CB 3.22Å; K521-N525 PolarHBondContact O-N 3.39Å; K521-N525 PolarHBondContact O-ND2 3.25Å; N525-K527 PolarHBondContact O-N 3.06Å; N525-Y528 PolarHBondContact O-N 3.37Å; N525-V529 HydrophobicContact CB-CG2 4.22Å; N525-V529 WeakPolarHBondContact O-CA 3.46Å; N525-V529 VanDerWaalsContact O-CB 3.25Å; N525-V529 WeakPolarHBondContact O-CB 3.42Å; N525-V529 PolarHBondContact O-N 2.8Å; N525-D530 PolarHBondContact O-N 3.06Å; N525-D530 VanDerWaalsContact O-N 3.17Å
526	A	96.9	Very high	95.1	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-29.5	175.2	0	0	0	0	0	113.3	E522 F523 I524 K532 Y533	E522-A526 VanDerWaalsContact O-CB 3.27Å; E522-A526 WeakPolarHBondContact O-CB 3.41Å; E522-A526 PolarHBondContact O-N 3.45Å; F523-A526 PolarHBondContact O-N 2.9Å; I524-A526 PolarHBondContact O-N 3.18Å; A526-K532 HydrophobicContact CB-CB 4.32Å; A526-K532 HydrophobicContact CB-CD 3.82Å; A526-K532 WeakPolarHBondContact O-CB 3.16Å; A526-K532 PolarHBondContact O-N 3.1Å; A526-Y533 HydrophobicContact CB-CE2 3.7Å
527	K	96.9	Very high	94.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-80.1	-47.6	178.5	-177	173.3	171.9	-177.6	0	112.9	C436 D437 N497 M500 E501 F523 I524 N525 H531 Y533	C436-K527 PolarHBondContact O-NZ 3.44Å; C436-K527 PolarHBondContact SG-NZ 2.95Å; D437-K527 IonicContact OD1-NZ 2.78Å; D437-K527 PolarHBondContact OD1-NZ 3.18Å; N497-K527 WeakPolarHBondContact OD1-CE 3.17Å; N497-K527 PolarHBondContact OD1-NZ 2.71Å; M500-K527 WeakPolarHBondContact CE-O 3.33Å; E501-K527 HydrophobicContact CG-CD 4.28Å; E501-K527 WeakPolarHBondContact OE1-CE 3.3Å; E501-K527 IonicContact OE1-NZ 2.71Å; E501-K527 PolarHBondContact OE1-NZ 2.86Å; F523-K527 HydrophobicContact CE1-CD 3.89Å; F523-K527 HydrophobicContact CZ-CD 4.23Å; F523-K527 WeakPolarHBondContact O-CB 3.33Å; F523-K527 PolarHBondContact O-N 2.93Å; I524-K527 PolarHBondContact O-N 3.48Å; I524-K527 VanDerWaalsContact O-N 3.15Å; N525-K527 PolarHBondContact O-N 3.06Å; K527-H531 WeakPolarHBondContact O-CA 3.36Å; K527-Y533 HydrophobicContact CB-CD2 4.36Å
528	Y	97	Very high	94.3	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.027	27%	0.271	C	S	.	.	H	α-helix	trans	-106.8	-14.5	-170.3	-58.8	-82.5	0	0	0	115.7	D437 L450 I452 H462 M465 I469 F496 M500 I524 N525 H531	D437-Y528 WeakPolarHBondContact OD1-CE2 3.44Å; D437-Y528 VanDerWaalsContact OD1-CZ 3.31Å; D437-Y528 PolarHBondContact OD1-OH 3.47Å; L450-Y528 HydrophobicContact CD1-CD1 3.77Å; L450-Y528 HydrophobicContact CD1-CE1 3.77Å; I452-Y528 HydrophobicContact CD1-CE1 3.7Å; I452-Y528 WeakPolarHBondContact CD1-OH 3.48Å; H462-Y528 AromaticContact CE1-CD2 3.77Å; H462-Y528 AromaticContact CE1-CE2 3.34Å; H462-Y528 WeakPolarHBondContact CE1-CE2 3.31Å; H462-Y528 AromaticContact CE1-CZ 3.48Å; H462-Y528 VanDerWaalsContact CE1-CZ 3.48Å; H462-Y528 AromaticContact NE2-CD2 3.83Å; H462-Y528 AromaticContact NE2-CE2 3.3Å; H462-Y528 VanDerWaalsContact NE2-CE2 3.3Å; H462-Y528 WeakPolarHBondContact NE2-CE2 3.47Å; H462-Y528 AromaticContact NE2-CZ 3.83Å; M465-Y528 HydrophobicContact CE-CD2 3.84Å; M465-Y528 HydrophobicContact CE-CG 3.99Å; M465-Y528 HydrophobicContact SD-CD2 4.48Å; I469-Y528 WeakPolarHBondContact CG2-O 3.4Å; F496-Y528 HydrophobicContact CE1-CD1 4.46Å; F496-Y528 AromaticContact CE1-CE1 3.5Å; F496-Y528 HydrophobicContact CE1-CE1 3.5Å; F496-Y528 HydrophobicContact CZ-CD1 4.32Å; F496-Y528 AromaticContact CZ-CE1 3.67Å; F496-Y528 HydrophobicContact CZ-CE1 3.67Å; M500-Y528 HydrophobicContact CE-CD1 4.33Å; I524-Y528 HydrophobicContact CG2-CD2 3.83Å; I524-Y528 HydrophobicContact CG2-CE2 4.17Å; I524-Y528 VanDerWaalsContact O-CD2 3.26Å; I524-Y528 WeakPolarHBondContact O-CD2 3.35Å; I524-Y528 PolarHBondContact O-N 3.44Å; N525-Y528 PolarHBondContact O-N 3.37Å; Y528-H531 PolarHBondContact O-NE2 3.29Å
529	V	95.2	Very high	93.9	Very high	70 Å²	70	57.3 Å²	57.3	42%	0.424	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-49.8	176.2	-170.8	0	0	0	0	110.2	M465 I469 N525	M465-V529 HydrophobicContact CG-CG2 4.45Å; M465-V529 HydrophobicContact SD-CG2 3.87Å; I469-V529 HydrophobicContact CD1-CG1 4.46Å; I469-V529 HydrophobicContact CD1-CG2 3.85Å; N525-V529 HydrophobicContact CB-CG2 4.22Å; N525-V529 WeakPolarHBondContact O-CA 3.46Å; N525-V529 VanDerWaalsContact O-CB 3.25Å; N525-V529 WeakPolarHBondContact O-CB 3.42Å; N525-V529 PolarHBondContact O-N 2.8Å
530	D	93.9	Very high	93.6	Very high	106 Å²	106	57.2 Å²	57.2	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	-83.9	-14.6	-179.6	-63.4	-25.9	0	0	0	113.5	N525 K532	N525-D530 PolarHBondContact O-N 3.06Å; N525-D530 VanDerWaalsContact O-N 3.17Å; D530-K532 HydrophobicContact CB-CB 3.97Å; D530-K532 PolarHBondContact O-N 3.4Å
531	H	94.8	Very high	93.2	Very high	32 Å²	32	60.5 Å²	60.5	15%	0.148	32%	0.318	C	S	.	.			trans	45.8	34.5	-167	-64.7	177.1	0	0	0	113.1	K527 Y528 Y533 A534 A565	K527-H531 WeakPolarHBondContact O-CA 3.36Å; Y528-H531 PolarHBondContact O-NE2 3.29Å; H531-Y533 PolarHBondContact O-N 2.96Å; H531-A534 HydrophobicContact CB-CB 4.34Å; H531-A534 WeakPolarHBondContact O-CB 3.16Å; H531-A534 PolarHBondContact O-N 3.07Å; H531-A565 VanDerWaalsContact CB-O 3.3Å; H531-A565 WeakPolarHBondContact CB-O 3.37Å; H531-A565 PolarHBondContact ND1-O 2.99Å
532	K	94.6	Very high	92.8	Very high	125 Å²	125	59.3 Å²	59.3	54%	0.543	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.1	-162.4	-171.1	-179.9	-171.5	169.1	0	114.2	A526 D530	A526-K532 HydrophobicContact CB-CB 4.32Å; A526-K532 HydrophobicContact CB-CD 3.82Å; A526-K532 WeakPolarHBondContact O-CB 3.16Å; A526-K532 PolarHBondContact O-N 3.1Å; D530-K532 HydrophobicContact CB-CB 3.97Å; D530-K532 PolarHBondContact O-N 3.4Å
533	Y	95.1	Very high	92.5	Very high	24 Å²	24	54 Å²	54	9%	0.094	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.6	-177.1	-45.2	-70	0	0	0	112.8	M500 E501 A502 N503 L504 P509 F523 A526 K527 H531	M500-Y533 CarbonylContact O-C 3.51Å; M500-Y533 WeakPolarHBondContact O-CB 3.48Å; E501-Y533 CarbonylContact C-O 3.5Å; A502-Y533 PolarHBondContact N-O 2.98Å; N503-Y533 WeakPolarHBondContact CB-O 3.44Å; N503-Y533 PolarHBondContact N-O 3.13Å; L504-Y533 HydrophobicContact CD1-CD1 3.84Å; L504-Y533 HydrophobicContact CD1-CD2 4.46Å; L504-Y533 HydrophobicContact CD1-CE1 4.11Å; L504-Y533 HydrophobicContact CD1-CG 4.01Å; P509-Y533 HydrophobicContact CG-CE1 3.77Å; F523-Y533 AromaticContact CD2-CE2 3.73Å; F523-Y533 HydrophobicContact CD2-CE2 3.73Å; F523-Y533 AromaticContact CE2-CD2 4Å; F523-Y533 HydrophobicContact CE2-CD2 4Å; F523-Y533 AromaticContact CE2-CE2 3.56Å; F523-Y533 HydrophobicContact CE2-CE2 3.56Å; F523-Y533 HydrophobicContact CZ-CE2 4.41Å; A526-Y533 HydrophobicContact CB-CE2 3.7Å; K527-Y533 HydrophobicContact CB-CD2 4.36Å; H531-Y533 PolarHBondContact O-N 2.96Å
534	A	93.5	Very high	92.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	31%	0.312	C	S	.	.			trans	-66.4	147.9	-179.3	0	0	0	0	0	111.9	I499 M500 N503 H531 A565	I499-A534 CarbonylContact O-C 3.57Å; I499-A534 WeakPolarHBondContact O-CA 3.3Å; M500-A534 PolarHBondContact O-N 3.06Å; M500-A534 HydrophobicContact SD-CB 4.19Å; N503-A534 PolarHBondContact ND2-O 3.43Å; H531-A534 HydrophobicContact CB-CB 4.34Å; H531-A534 WeakPolarHBondContact O-CB 3.16Å; H531-A534 PolarHBondContact O-N 3.07Å; A534-A565 HydrophobicContact CB-CB 3.94Å
535	R	86.9	Confident	91.8	Very high	111 Å²	111	57.1 Å²	57.1	42%	0.419	32%	0.318	S	S	.	.			trans	-59.8	148.8	168.5	-164.9	-178.3	-60	-166.4	5	109.9	E498 I499 A502 T537 Q562	E498-R535 PolarHBondContact O-NH2 3.32Å; I499-R535 PolarHBondContact O-N 3.42Å; A502-R535 HydrophobicContact CB-CB 3.61Å; A502-R535 HydrophobicContact CB-CG 4.2Å; R535-T537 HydrophobicContact CG-CG2 4.35Å; R535-Q562 PolarHBondContact O-NE2 3.3Å
536	K	88.1	Confident	91.5	Very high	146 Å²	146	59.2 Å²	59.2	64%	0.635	33%	0.328	S	S	*	.			trans	-129	108.3	173.1	-57.9	-170.8	179.5	-174.2	0	109.6	E566	K536-E566 HydrophobicContact CG-CG 4.34Å
537	T	86.3	Confident	91.3	Very high	73 Å²	73	63.1 Å²	63.1	45%	0.448	35%	0.346	S	S	.	.			trans	-97.4	-31.4	176.3	66.5	0	0	0	0	111.2	R535 Q562 E566	R535-T537 HydrophobicContact CG-CG2 4.35Å; T537-Q562 HydrophobicContact CG2-CG 4.41Å; T537-E566 VanDerWaalsContact N-CD 3.33Å; T537-E566 PolarHBondContact N-OE1 3.14Å; T537-E566 PolarHBondContact N-OE2 3.14Å; T537-E566 PolarHBondContact OG1-OE1 3.39Å; T537-E566 VanDerWaalsContact OG1-OE1 3.06Å
538	C	87.5	Confident	91.2	Very high	19 Å²	19	63.1 Å²	63.1	13%	0.128	35%	0.346	C	S	.	.			trans	-90.5	129.8	-171.1	-61.5	0	0	0	0	112.6	A543 K544 E566	C538-A543 HydrophobicContact CB-CB 4.35Å; C538-K544 HydrophobicContact CB-CB 4.46Å; C538-K544 HydrophobicContact CB-CG 3.43Å; C538-K544 VanDerWaalsContact CB-CG 3.43Å; C538-E566 VanDerWaalsContact CB-OE2 3.29Å; C538-E566 WeakPolarHBondContact CB-OE2 3.08Å; C538-E566 PolarHBondContact N-OE2 3.35Å
539	T	85.6	Confident	91	Very high	143 Å²	143	63.5 Å²	63.5	88%	0.877	35%	0.347	S	S	*	.	S	Bend	trans	-93.6	-8.7	179.5	55.1	0	0	0	0	114.3
540	S	89.8	Confident	90.9	Very high	55 Å²	55	65 Å²	65	39%	0.385	35%	0.35	S	S	.	.	S	Bend	trans	-153.1	161	-179.7	69.1	0	0	0	0	112	A542 A543 K544	S540-A542 VanDerWaalsContact C-N 3.3Å; S540-A542 PolarHBondContact O-N 3.02Å; S540-A543 WeakPolarHBondContact O-CB 3.43Å; S540-A543 PolarHBondContact O-N 3.2Å; S540-A543 PolarHBondContact OG-N 3Å; S540-K544 PolarHBondContact O-N 2.94Å; S540-K544 VanDerWaalsContact O-N 3.14Å
541	A	87.8	Confident	90.9	Very high	75 Å²	75	60.1 Å²	60.1	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-61.6	-37.5	175.1	0	0	0	0	0	112.6	A543 K544 M545	A541-A543 VanDerWaalsContact C-N 3.34Å; A541-A543 PolarHBondContact O-N 3.28Å; A541-K544 PolarHBondContact O-N 3.33Å; A541-M545 PolarHBondContact O-N 2.68Å; A541-M545 VanDerWaalsContact O-N 3.08Å
542	A	88.6	Confident	90.9	Very high	65 Å²	65	58.7 Å²	58.7	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-39.8	175.5	0	0	0	0	0	112.1	S540 M545 I546	S540-A542 VanDerWaalsContact C-N 3.3Å; S540-A542 PolarHBondContact O-N 3.02Å; A542-M545 PolarHBondContact O-N 2.77Å; A542-I546 WeakPolarHBondContact O-CG1 3.22Å; A542-I546 PolarHBondContact O-N 3.47Å; A542-I546 VanDerWaalsContact O-N 3.15Å
543	A	90.9	Very high	90.8	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-45.8	173.4	0	0	0	0	0	111.4	C538 S540 A541 M545 I546 E547	C538-A543 HydrophobicContact CB-CB 4.35Å; S540-A543 WeakPolarHBondContact O-CB 3.43Å; S540-A543 PolarHBondContact O-N 3.2Å; S540-A543 PolarHBondContact OG-N 3Å; A541-A543 VanDerWaalsContact C-N 3.34Å; A541-A543 PolarHBondContact O-N 3.28Å; A543-M545 VanDerWaalsContact C-N 3.27Å; A543-M545 PolarHBondContact O-N 3.2Å; A543-I546 PolarHBondContact O-N 3.2Å; A543-I546 VanDerWaalsContact O-N 3.1Å; A543-E547 VanDerWaalsContact O-CG 3.25Å; A543-E547 WeakPolarHBondContact O-CG 3.47Å; A543-E547 PolarHBondContact O-N 3.28Å
544	K	91.3	Very high	90.8	Very high	42 Å²	42	60.2 Å²	60.2	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-36.8	176.2	-62.8	-176.4	-164.2	177.7	0	113.2	C538 S540 A541 L548 E566 G567 V568	C538-K544 HydrophobicContact CB-CB 4.46Å; C538-K544 HydrophobicContact CB-CG 3.43Å; C538-K544 VanDerWaalsContact CB-CG 3.43Å; S540-K544 PolarHBondContact O-N 2.94Å; S540-K544 VanDerWaalsContact O-N 3.14Å; A541-K544 PolarHBondContact O-N 3.33Å; K544-L548 WeakPolarHBondContact O-CB 3.3Å; K544-L548 PolarHBondContact O-N 3.46Å; K544-E566 HydrophobicContact CD-CB 4.33Å; K544-E566 PolarHBondContact NZ-O 3.12Å; K544-G567 PolarHBondContact NZ-O 3.48Å; K544-V568 HydrophobicContact CB-CB 4.02Å; K544-V568 HydrophobicContact CB-CG2 3.68Å; K544-V568 HydrophobicContact CD-CB 4.21Å
545	M	90.9	Very high	90.8	Very high	27 Å²	27	64.4 Å²	64.4	13%	0.133	35%	0.349	C	S	.	.	H	α-helix	trans	-72.1	-31.2	177.8	-68.4	-57.5	-66	0	0	112.9	A541 A542 A543 L548 F549 V568 E572 P573 P575	A541-M545 PolarHBondContact O-N 2.68Å; A541-M545 VanDerWaalsContact O-N 3.08Å; A542-M545 PolarHBondContact O-N 2.77Å; A543-M545 VanDerWaalsContact C-N 3.27Å; A543-M545 PolarHBondContact O-N 3.2Å; M545-L548 HydrophobicContact CE-CD2 4.2Å; M545-L548 HydrophobicContact SD-CD2 4.07Å; M545-F549 WeakPolarHBondContact O-CB 3.27Å; M545-F549 PolarHBondContact O-N 3.38Å; M545-F549 VanDerWaalsContact O-N 3.14Å; M545-V568 HydrophobicContact CG-CG2 4.49Å; M545-V568 HydrophobicContact SD-CG2 3.58Å; M545-V568 VanDerWaalsContact SD-CG2 3.58Å; M545-E572 HydrophobicContact CE-CB 3.79Å; M545-E572 HydrophobicContact SD-CB 4.38Å; M545-P573 WeakPolarHBondContact CE-O 3.44Å; M545-P575 HydrophobicContact CB-CG 4.19Å
546	I	90.8	Very high	91.2	Very high	95 Å²	95	62.6 Å²	62.6	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-71	-46.4	172.6	-65.7	164.8	0	0	0	109.9	A542 A543 L548 F549 E550	A542-I546 WeakPolarHBondContact O-CG1 3.22Å; A542-I546 PolarHBondContact O-N 3.47Å; A542-I546 VanDerWaalsContact O-N 3.15Å; A543-I546 PolarHBondContact O-N 3.2Å; A543-I546 VanDerWaalsContact O-N 3.1Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 2.98Å; I546-F549 WeakPolarHBondContact O-CB 3.22Å; I546-F549 PolarHBondContact O-N 2.9Å; I546-F549 VanDerWaalsContact O-N 3.13Å; I546-E550 PolarHBondContact O-N 3.02Å
547	E	92.9	Very high	91.6	Very high	86 Å²	86	56 Å²	56	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-66.9	-34.5	178.8	-61.7	-94	168.6	0	0	111.6	A543 E550 A551 V563	A543-E547 VanDerWaalsContact O-CG 3.25Å; A543-E547 WeakPolarHBondContact O-CG 3.47Å; A543-E547 PolarHBondContact O-N 3.28Å; E547-E550 PolarHBondContact O-N 2.83Å; E547-A551 VanDerWaalsContact O-CB 3.26Å; E547-A551 WeakPolarHBondContact O-CB 3.47Å; E547-A551 PolarHBondContact O-N 2.9Å; E547-V563 HydrophobicContact CB-CG1 3.62Å
548	L	93.9	Very high	92.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-42.5	169.8	173.8	61.4	0	0	0	111.7	K544 M545 I546 I552 L560 V563 V568 L570 A585	K544-L548 WeakPolarHBondContact O-CB 3.3Å; K544-L548 PolarHBondContact O-N 3.46Å; M545-L548 HydrophobicContact CE-CD2 4.2Å; M545-L548 HydrophobicContact SD-CD2 4.07Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 2.98Å; L548-I552 WeakPolarHBondContact O-CG1 3.42Å; L548-I552 PolarHBondContact O-N 3.16Å; L548-L560 HydrophobicContact CD1-CD1 3.44Å; L548-L560 VanDerWaalsContact CD1-CD1 3.44Å; L548-V563 HydrophobicContact CB-CG2 4.1Å; L548-V563 HydrophobicContact CD1-CG2 3.99Å; L548-V568 HydrophobicContact CB-CG2 4.43Å; L548-V568 HydrophobicContact CD2-CG1 4.17Å; L548-V568 HydrophobicContact CD2-CG2 3.98Å; L548-L570 HydrophobicContact CD1-CD2 3.8Å; L548-L570 HydrophobicContact CD2-CD2 4.48Å; L548-A585 HydrophobicContact CD1-CB 4.21Å; L548-A585 HydrophobicContact CD2-CB 4.14Å; L548-A585 HydrophobicContact CG-CB 4.14Å
549	F	92.6	Very high	92.5	Very high	15 Å²	15	56 Å²	56	7%	0.066	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-46.7	175.2	178.5	-111.2	0	0	0	111.7	M545 I546 A551 I552 Q553 L574 E576 Y588	M545-F549 WeakPolarHBondContact O-CB 3.27Å; M545-F549 PolarHBondContact O-N 3.38Å; M545-F549 VanDerWaalsContact O-N 3.14Å; I546-F549 WeakPolarHBondContact O-CB 3.22Å; I546-F549 PolarHBondContact O-N 2.9Å; I546-F549 VanDerWaalsContact O-N 3.13Å; F549-A551 PolarHBondContact O-N 3.06Å; F549-I552 PolarHBondContact O-N 3.48Å; F549-Q553 VanDerWaalsContact CZ-NE2 3.32Å; F549-Q553 VanDerWaalsContact O-CB 3.29Å; F549-Q553 WeakPolarHBondContact O-CB 3.23Å; F549-Q553 PolarHBondContact O-N 2.96Å; F549-L574 HydrophobicContact CB-CD2 4.14Å; F549-L574 HydrophobicContact CD2-CB 4.47Å; F549-L574 HydrophobicContact CD2-CD1 3.9Å; F549-L574 HydrophobicContact CD2-CD2 4.06Å; F549-L574 HydrophobicContact CD2-CG 4.37Å; F549-L574 HydrophobicContact CE2-CD1 4.27Å; F549-E576 HydrophobicContact CD1-CG 4.41Å; F549-E576 HydrophobicContact CE1-CB 4.24Å; F549-E576 HydrophobicContact CE1-CG 3.87Å; F549-E576 WeakPolarHBondContact CE1-OE2 3.47Å; F549-E576 HydrophobicContact CE2-CB 4.38Å; F549-E576 HydrophobicContact CZ-CB 3.94Å; F549-E576 HydrophobicContact CZ-CG 4.1Å; F549-E576 VanDerWaalsContact CZ-OE2 3.23Å; F549-E576 WeakPolarHBondContact CZ-OE2 3.41Å; F549-Y588 HydrophobicContact CD2-CD2 4.45Å; F549-Y588 AromaticContact CE2-CD2 3.68Å; F549-Y588 HydrophobicContact CE2-CD2 3.68Å; F549-Y588 AromaticContact CE2-CE2 3.47Å; F549-Y588 HydrophobicContact CE2-CE2 3.47Å; F549-Y588 VanDerWaalsContact CE2-CE2 3.47Å; F549-Y588 HydrophobicContact CE2-CG 4.43Å; F549-Y588 AromaticContact CZ-CE2 3.97Å; F549-Y588 HydrophobicContact CZ-CE2 3.97Å
550	E	93.3	Very high	93.1	Very high	103 Å²	103	49.2 Å²	49.2	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-40.1	179.5	-170.5	164.9	173.1	0	0	111.6	I546 E547 I552 Q553 T554	I546-E550 PolarHBondContact O-N 3.02Å; E547-E550 PolarHBondContact O-N 2.83Å; E550-I552 PolarHBondContact O-N 3.31Å; E550-Q553 PolarHBondContact O-N 2.91Å; E550-T554 HydrophobicContact CG-CG2 3.97Å; E550-T554 VanDerWaalsContact O-CB 3.32Å; E550-T554 WeakPolarHBondContact O-CB 3.47Å; E550-T554 VanDerWaalsContact O-CG2 3.32Å; E550-T554 WeakPolarHBondContact O-CG2 3.4Å; E550-T554 PolarHBondContact O-N 3.19Å; E550-T554 PolarHBondContact O-OG1 3.15Å
551	A	94.9	Very high	93.4	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-45.3	174.2	0	0	0	0	0	112.6	E547 F549 T554 R555 D556 A559 L560	E547-A551 VanDerWaalsContact O-CB 3.26Å; E547-A551 WeakPolarHBondContact O-CB 3.47Å; E547-A551 PolarHBondContact O-N 2.9Å; F549-A551 PolarHBondContact O-N 3.06Å; A551-T554 PolarHBondContact O-OG1 3.5Å; A551-R555 CarbonylContact O-C 3.58Å; A551-R555 WeakPolarHBondContact O-CA 3.42Å; A551-R555 PolarHBondContact O-N 3.49Å; A551-D556 PolarHBondContact O-N 2.89Å; A551-A559 HydrophobicContact CB-CB 3.69Å; A551-L560 HydrophobicContact CB-CB 4.24Å
552	I	93.9	Very high	93.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-71.1	-38.7	176.8	-60	-62.4	0	0	0	111.4	L548 F549 E550 R555 L560 A585 Y588 A589 L600 L604	L548-I552 WeakPolarHBondContact O-CG1 3.42Å; L548-I552 PolarHBondContact O-N 3.16Å; F549-I552 PolarHBondContact O-N 3.48Å; E550-I552 PolarHBondContact O-N 3.31Å; I552-R555 PolarHBondContact O-N 3.18Å; I552-L560 HydrophobicContact CD1-CD1 3.9Å; I552-L560 HydrophobicContact CD1-CD2 3.74Å; I552-L560 HydrophobicContact CD1-CG 4.38Å; I552-L560 HydrophobicContact CG1-CD1 4.47Å; I552-A585 HydrophobicContact CG1-CB 4.43Å; I552-Y588 HydrophobicContact CG2-CD1 3.66Å; I552-Y588 HydrophobicContact CG2-CE1 4.23Å; I552-A589 HydrophobicContact CG2-CB 3.85Å; I552-L600 HydrophobicContact CD1-CB 4.13Å; I552-L600 HydrophobicContact CD1-CD2 4.49Å; I552-L604 HydrophobicContact CD1-CD1 3.86Å; I552-L604 HydrophobicContact CD1-CG 4.43Å
553	Q	92.5	Very high	94.1	Very high	98 Å²	98	40.9 Å²	40.9	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-66.8	-43.6	179.5	-178.1	-179.1	103.5	0	0	112.5	F549 E550 R555	F549-Q553 VanDerWaalsContact CZ-NE2 3.32Å; F549-Q553 VanDerWaalsContact O-CB 3.29Å; F549-Q553 WeakPolarHBondContact O-CB 3.23Å; F549-Q553 PolarHBondContact O-N 2.96Å; E550-Q553 PolarHBondContact O-N 2.91Å; Q553-R555 VanDerWaalsContact C-N 3.31Å
554	T	94.2	Very high	94.2	Very high	83 Å²	83	41.7 Å²	41.7	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-79.8	-14.2	177.1	58.7	0	0	0	0	113.2	E550 A551	E550-T554 HydrophobicContact CG-CG2 3.97Å; E550-T554 VanDerWaalsContact O-CB 3.32Å; E550-T554 WeakPolarHBondContact O-CB 3.47Å; E550-T554 VanDerWaalsContact O-CG2 3.32Å; E550-T554 WeakPolarHBondContact O-CG2 3.4Å; E550-T554 PolarHBondContact O-N 3.19Å; E550-T554 PolarHBondContact O-OG1 3.15Å; A551-T554 PolarHBondContact O-OG1 3.5Å
555	R	94.4	Very high	94.4	Very high	89 Å²	89	39.8 Å²	39.8	34%	0.336	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	35.4	-176.9	-56.4	170.9	167.2	-170.1	-4.3	114.3	A551 I552 Q553 T592 D594 T596 L600	A551-R555 CarbonylContact O-C 3.58Å; A551-R555 WeakPolarHBondContact O-CA 3.42Å; A551-R555 PolarHBondContact O-N 3.49Å; I552-R555 PolarHBondContact O-N 3.18Å; Q553-R555 VanDerWaalsContact C-N 3.31Å; R555-T592 PolarHBondContact NH2-O 3.18Å; R555-D594 IonicContact CZ-OD1 2.67Å; R555-D594 IonicContact CZ-OD2 3.77Å; R555-D594 VanDerWaalsContact NH1-CG 3.34Å; R555-D594 IonicContact NH1-OD1 3.5Å; R555-D594 PolarHBondContact NH1-OD1 3.19Å; R555-D594 IonicContact NH1-OD2 3.83Å; R555-D594 PolarHBondContact NH1-OD2 3.31Å; R555-D594 VanDerWaalsContact NH2-CG 3.32Å; R555-D594 IonicContact NH2-OD1 3.89Å; R555-D594 IonicContact NH2-OD2 2.7Å; R555-D594 PolarHBondContact NH2-OD2 3.46Å; R555-T596 PolarHBondContact NH1-OG1 3.39Å; R555-L600 HydrophobicContact CB-CD1 3.84Å; R555-L600 HydrophobicContact CG-CD1 3.96Å
556	D	95.8	Very high	94.5	Very high	72 Å²	72	39.5 Å²	39.5	39%	0.385	20%	0.197	S	C	.	.			trans	-93.1	104.6	177	-170.6	-24.2	0	0	0	111.4	A551 L558 A559 L560	A551-D556 PolarHBondContact O-N 2.89Å; D556-L558 VanDerWaalsContact C-N 3.31Å; D556-L558 PolarHBondContact O-N 3.13Å; D556-L558 WeakPolarHBondContact OD1-CA 3.41Å; D556-L558 WeakPolarHBondContact OD1-CB 3.42Å; D556-L558 PolarHBondContact OD1-N 3.43Å; D556-A559 HydrophobicContact CB-CB 3.78Å; D556-A559 PolarHBondContact O-N 3.23Å; D556-A559 PolarHBondContact OD1-N 3.33Å; D556-L560 PolarHBondContact O-N 3.09Å
557	L	96.5	Very high	94.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-29.7	175.9	-179	59.5	0	0	0	113	L487 N490 V491 L560 I561 H599 L600 F603	L487-L557 HydrophobicContact CD2-CD1 4.32Å; L487-L557 HydrophobicContact CD2-CD2 4.25Å; N490-L557 HydrophobicContact CB-CD2 3.7Å; V491-L557 HydrophobicContact CG2-CD2 3.6Å; V491-L557 HydrophobicContact CG2-CG 4.21Å; L557-L560 HydrophobicContact CD1-CD2 4.19Å; L557-L560 PolarHBondContact O-N 3.12Å; L557-I561 HydrophobicContact CD1-CD1 4.3Å; L557-I561 HydrophobicContact CD1-CG1 4.48Å; L557-I561 HydrophobicContact CG-CD1 4.05Å; L557-I561 WeakPolarHBondContact O-CD1 3.18Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.47Å; L557-I561 PolarHBondContact O-N 2.88Å; L557-H599 HydrophobicContact CD2-CB 4.25Å; L557-L600 HydrophobicContact CB-CD2 4.13Å; L557-L600 HydrophobicContact CD1-CD2 4.36Å; L557-F603 HydrophobicContact CD1-CB 3.87Å; L557-F603 HydrophobicContact CD1-CD2 4.24Å; L557-F603 HydrophobicContact CD1-CG 4.07Å
558	L	96.6	Very high	94.5	Very high	61 Å²	61	33.9 Å²	33.9	32%	0.319	18%	0.183	S	C	.	.	H	α-helix	trans	-76.5	-37.1	178.9	-62.6	179.3	0	0	0	110.5	I499 D556 L560 I561 Q562	I499-L558 HydrophobicContact CD1-CB 4.16Å; I499-L558 HydrophobicContact CD1-CD2 4.32Å; I499-L558 VanDerWaalsContact CD1-O 3.23Å; I499-L558 WeakPolarHBondContact CD1-O 3.36Å; D556-L558 VanDerWaalsContact C-N 3.31Å; D556-L558 PolarHBondContact O-N 3.13Å; D556-L558 WeakPolarHBondContact OD1-CA 3.41Å; D556-L558 WeakPolarHBondContact OD1-CB 3.42Å; D556-L558 PolarHBondContact OD1-N 3.43Å; L558-L560 VanDerWaalsContact C-N 3.33Å; L558-I561 PolarHBondContact O-N 3.04Å; L558-Q562 WeakPolarHBondContact O-CB 3.48Å; L558-Q562 PolarHBondContact O-N 3.05Å
559	A	96.2	Very high	94.3	Very high	31 Å²	31	40.6 Å²	40.6	26%	0.256	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-39.6	168.3	0	0	0	0	0	111.8	A551 D556 Q562 V563	A551-A559 HydrophobicContact CB-CB 3.69Å; D556-A559 HydrophobicContact CB-CB 3.78Å; D556-A559 PolarHBondContact O-N 3.23Å; D556-A559 PolarHBondContact OD1-N 3.33Å; A559-Q562 WeakPolarHBondContact O-CB 3.38Å; A559-Q562 PolarHBondContact O-N 3.48Å; A559-V563 PolarHBondContact O-N 3.01Å
560	L	96.7	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-43	174.2	-178.6	60.3	0	0	0	112.2	L548 A551 I552 D556 L557 L558 Q562 V563 Y564 L570 L600 F603 L604	L548-L560 HydrophobicContact CD1-CD1 3.44Å; L548-L560 VanDerWaalsContact CD1-CD1 3.44Å; A551-L560 HydrophobicContact CB-CB 4.24Å; I552-L560 HydrophobicContact CD1-CD1 3.9Å; I552-L560 HydrophobicContact CD1-CD2 3.74Å; I552-L560 HydrophobicContact CD1-CG 4.38Å; I552-L560 HydrophobicContact CG1-CD1 4.47Å; D556-L560 PolarHBondContact O-N 3.09Å; L557-L560 HydrophobicContact CD1-CD2 4.19Å; L557-L560 PolarHBondContact O-N 3.12Å; L558-L560 VanDerWaalsContact C-N 3.33Å; L560-Q562 VanDerWaalsContact C-N 3.34Å; L560-V563 HydrophobicContact CD1-CG2 4.43Å; L560-V563 VanDerWaalsContact O-CG2 3.28Å; L560-V563 WeakPolarHBondContact O-CG2 3.49Å; L560-Y564 WeakPolarHBondContact O-CB 3.44Å; L560-Y564 PolarHBondContact O-N 3.29Å; L560-Y564 VanDerWaalsContact O-N 3.09Å; L560-L570 HydrophobicContact CD1-CD2 4.21Å; L560-L600 HydrophobicContact CD2-CB 4.49Å; L560-L600 HydrophobicContact CD2-CD2 4.04Å; L560-F603 HydrophobicContact CD1-CD1 4.45Å; L560-F603 HydrophobicContact CD2-CB 4.03Å; L560-F603 HydrophobicContact CD2-CD1 3.57Å; L560-F603 HydrophobicContact CD2-CE1 4.42Å; L560-F603 HydrophobicContact CD2-CG 4.05Å; L560-F603 HydrophobicContact CG-CD1 3.67Å; L560-F603 HydrophobicContact CG-CE1 4.02Å; L560-F603 HydrophobicContact CG-CG 4.48Å; L560-L604 HydrophobicContact CD1-CD2 4.19Å; L560-L604 HydrophobicContact CD2-CG 4.43Å
561	I	96.6	Very high	94.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-36	174.4	-69.7	164.3	0	0	0	111	V491 F496 I499 L557 L558 Y564 A565 F603	V491-I561 HydrophobicContact CG1-CD1 4.06Å; V491-I561 HydrophobicContact CG2-CD1 3.59Å; F496-I561 HydrophobicContact CD2-CG2 4.27Å; F496-I561 HydrophobicContact CE2-CG2 4.24Å; I499-I561 HydrophobicContact CD1-CB 4.04Å; I499-I561 HydrophobicContact CD1-CG2 3.8Å; I499-I561 HydrophobicContact CG2-CG2 4.31Å; L557-I561 HydrophobicContact CD1-CD1 4.3Å; L557-I561 HydrophobicContact CD1-CG1 4.48Å; L557-I561 HydrophobicContact CG-CD1 4.05Å; L557-I561 WeakPolarHBondContact O-CD1 3.18Å; L557-I561 VanDerWaalsContact O-CG1 3.25Å; L557-I561 WeakPolarHBondContact O-CG1 3.47Å; L557-I561 PolarHBondContact O-N 2.88Å; L558-I561 PolarHBondContact O-N 3.04Å; I561-Y564 PolarHBondContact O-N 3.25Å; I561-A565 VanDerWaalsContact O-CB 3.27Å; I561-A565 WeakPolarHBondContact O-CB 3.24Å; I561-A565 PolarHBondContact O-N 3.05Å; I561-F603 HydrophobicContact CD1-CE2 4.28Å; I561-F603 HydrophobicContact CG1-CD2 4.1Å; I561-F603 HydrophobicContact CG1-CE2 3.56Å; I561-F603 HydrophobicContact CG1-CZ 3.8Å
562	Q	96	Very high	94	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-49.2	175.6	175.3	61.2	56.8	0	0	112	I499 R535 T537 L558 A559 L560 Y564 A565 E566	I499-Q562 HydrophobicContact CD1-CB 4.48Å; I499-Q562 HydrophobicContact CG2-CB 4.42Å; R535-Q562 PolarHBondContact O-NE2 3.3Å; T537-Q562 HydrophobicContact CG2-CG 4.41Å; L558-Q562 WeakPolarHBondContact O-CB 3.48Å; L558-Q562 PolarHBondContact O-N 3.05Å; A559-Q562 WeakPolarHBondContact O-CB 3.38Å; A559-Q562 PolarHBondContact O-N 3.48Å; L560-Q562 VanDerWaalsContact C-N 3.34Å; Q562-Y564 VanDerWaalsContact C-N 3.34Å; Q562-Y564 PolarHBondContact O-N 2.94Å; Q562-A565 WeakPolarHBondContact O-CB 3.46Å; Q562-A565 PolarHBondContact O-N 3.31Å; Q562-E566 PolarHBondContact NE2-OE1 3.42Å; Q562-E566 PolarHBondContact O-N 3.16Å; Q562-E566 VanDerWaalsContact O-N 3.09Å
563	V	94.6	Very high	93.8	Very high	3 Å²	3	42 Å²	42	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-31.8	178.4	-61.9	0	0	0	0	112.6	E547 L548 A559 L560 E566 G567 V568	E547-V563 HydrophobicContact CB-CG1 3.62Å; L548-V563 HydrophobicContact CB-CG2 4.1Å; L548-V563 HydrophobicContact CD1-CG2 3.99Å; A559-V563 PolarHBondContact O-N 3.01Å; L560-V563 HydrophobicContact CD1-CG2 4.43Å; L560-V563 VanDerWaalsContact O-CG2 3.28Å; L560-V563 WeakPolarHBondContact O-CG2 3.49Å; V563-E566 PolarHBondContact O-N 2.92Å; V563-G567 PolarHBondContact O-N 3.07Å; V563-V568 HydrophobicContact CB-CB 4.44Å; V563-V568 HydrophobicContact CB-CG1 3.97Å; V563-V568 HydrophobicContact CG2-CG1 3.88Å; V563-V568 WeakPolarHBondContact O-CG1 3.45Å; V563-V568 PolarHBondContact O-N 2.85Å
564	Y	94.8	Very high	93.6	Very high	40 Å²	40	38.3 Å²	38.3	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-44.8	170.9	173.2	-99.1	0	0	0	112	L560 I561 Q562 E566 G567 L570 F603 N607	L560-Y564 WeakPolarHBondContact O-CB 3.44Å; L560-Y564 PolarHBondContact O-N 3.29Å; L560-Y564 VanDerWaalsContact O-N 3.09Å; I561-Y564 PolarHBondContact O-N 3.25Å; Q562-Y564 VanDerWaalsContact C-N 3.34Å; Q562-Y564 PolarHBondContact O-N 2.94Å; Y564-E566 PolarHBondContact O-N 3.41Å; Y564-G567 WeakPolarHBondContact O-CA 3.39Å; Y564-G567 PolarHBondContact O-N 2.96Å; Y564-L570 HydrophobicContact CD2-CD1 3.86Å; Y564-L570 HydrophobicContact CD2-CG 4.39Å; Y564-L570 HydrophobicContact CE2-CD1 4.38Å; Y564-F603 HydrophobicContact CD1-CE1 4.5Å; Y564-F603 AromaticContact CD1-CZ 3.82Å; Y564-F603 HydrophobicContact CD1-CZ 3.82Å; Y564-F603 HydrophobicContact CD2-CE1 4.34Å; Y564-F603 HydrophobicContact CD2-CZ 4.37Å; Y564-F603 HydrophobicContact CE1-CZ 4.42Å; Y564-F603 HydrophobicContact CG-CE1 4Å; Y564-F603 AromaticContact CG-CZ 3.78Å; Y564-F603 HydrophobicContact CG-CZ 3.78Å; Y564-N607 HydrophobicContact CD2-CB 4.42Å; Y564-N607 HydrophobicContact CE2-CB 3.83Å
565	A	94.7	Very high	92.8	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-31.9	175	0	0	0	0	0	112.1	I499 M500 H531 A534 I561 Q562 G567	I499-A565 HydrophobicContact CG2-CB 3.9Å; M500-A565 HydrophobicContact SD-CB 3.42Å; M500-A565 WeakPolarHBondContact SD-CB 3.47Å; H531-A565 VanDerWaalsContact CB-O 3.3Å; H531-A565 WeakPolarHBondContact CB-O 3.37Å; H531-A565 PolarHBondContact ND1-O 2.99Å; A534-A565 HydrophobicContact CB-CB 3.94Å; I561-A565 VanDerWaalsContact O-CB 3.27Å; I561-A565 WeakPolarHBondContact O-CB 3.24Å; I561-A565 PolarHBondContact O-N 3.05Å; Q562-A565 WeakPolarHBondContact O-CB 3.46Å; Q562-A565 PolarHBondContact O-N 3.31Å; A565-G567 VanDerWaalsContact C-N 3.26Å; A565-G567 PolarHBondContact O-N 3.39Å
566	E	93.2	Very high	91.6	Very high	20 Å²	20	40.1 Å²	40.1	9%	0.093	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7	173	-71.6	-172.7	-126.3	0	0	114.5	K536 T537 C538 K544 Q562 V563 Y564	K536-E566 HydrophobicContact CG-CG 4.34Å; T537-E566 VanDerWaalsContact N-CD 3.33Å; T537-E566 PolarHBondContact N-OE1 3.14Å; T537-E566 PolarHBondContact N-OE2 3.14Å; T537-E566 PolarHBondContact OG1-OE1 3.39Å; T537-E566 VanDerWaalsContact OG1-OE1 3.06Å; C538-E566 VanDerWaalsContact CB-OE2 3.29Å; C538-E566 WeakPolarHBondContact CB-OE2 3.08Å; C538-E566 PolarHBondContact N-OE2 3.35Å; K544-E566 HydrophobicContact CD-CB 4.33Å; K544-E566 PolarHBondContact NZ-O 3.12Å; Q562-E566 PolarHBondContact NE2-OE1 3.42Å; Q562-E566 PolarHBondContact O-N 3.16Å; Q562-E566 VanDerWaalsContact O-N 3.09Å; V563-E566 PolarHBondContact O-N 2.92Å; Y564-E566 PolarHBondContact O-N 3.41Å
567	G	90.8	Very high	89.8	Confident	48 Å²	48	41.1 Å²	41.1	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	69	-175.8	0	0	0	0	0	111.3	K544 V563 Y564 A565	K544-G567 PolarHBondContact NZ-O 3.48Å; V563-G567 PolarHBondContact O-N 3.07Å; Y564-G567 WeakPolarHBondContact O-CA 3.39Å; Y564-G567 PolarHBondContact O-N 2.96Å; A565-G567 VanDerWaalsContact C-N 3.26Å; A565-G567 PolarHBondContact O-N 3.39Å
568	V	92.1	Very high	88.4	Confident	15 Å²	15	41.9 Å²	41.9	9%	0.091	25%	0.252	C	S	.	.			trans	-94.4	143.3	162.9	74.4	0	0	0	0	109.7	K544 M545 L548 V563 L570	K544-V568 HydrophobicContact CB-CB 4.02Å; K544-V568 HydrophobicContact CB-CG2 3.68Å; K544-V568 HydrophobicContact CD-CB 4.21Å; M545-V568 HydrophobicContact CG-CG2 4.49Å; M545-V568 HydrophobicContact SD-CG2 3.58Å; M545-V568 VanDerWaalsContact SD-CG2 3.58Å; L548-V568 HydrophobicContact CB-CG2 4.43Å; L548-V568 HydrophobicContact CD2-CG1 4.17Å; L548-V568 HydrophobicContact CD2-CG2 3.98Å; V563-V568 HydrophobicContact CB-CB 4.44Å; V563-V568 HydrophobicContact CB-CG1 3.97Å; V563-V568 HydrophobicContact CG2-CG1 3.88Å; V563-V568 WeakPolarHBondContact O-CG1 3.45Å; V563-V568 PolarHBondContact O-N 2.85Å; V568-L570 HydrophobicContact CG1-CD2 3.76Å; V568-L570 HydrophobicContact CG1-CG 4.44Å; V568-L570 PolarHBondContact O-N 3.07Å; V568-L570 VanDerWaalsContact O-N 3.12Å
569	E	89.9	Confident	87.4	Confident	141 Å²	141	42.7 Å²	42.7	66%	0.659	26%	0.261	S	S	*	.			trans	-81.1	91.1	173.9	-67.9	-177.4	-157.5	0	0	109.3	M571 E572	E569-M571 PolarHBondContact O-N 3.32Å; E569-E572 HydrophobicContact CB-CG 3.81Å; E569-E572 PolarHBondContact O-N 3.13Å
570	L	92.3	Very high	86.8	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.042	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-23.4	-173.5	-63.8	174.4	0	0	0	115	L548 L560 Y564 V568 L604 N607	L548-L570 HydrophobicContact CD1-CD2 3.8Å; L548-L570 HydrophobicContact CD2-CD2 4.48Å; L560-L570 HydrophobicContact CD1-CD2 4.21Å; Y564-L570 HydrophobicContact CD2-CD1 3.86Å; Y564-L570 HydrophobicContact CD2-CG 4.39Å; Y564-L570 HydrophobicContact CE2-CD1 4.38Å; V568-L570 HydrophobicContact CG1-CD2 3.76Å; V568-L570 HydrophobicContact CG1-CG 4.44Å; V568-L570 PolarHBondContact O-N 3.07Å; V568-L570 VanDerWaalsContact O-N 3.12Å; L570-L604 HydrophobicContact CB-CD2 4.06Å; L570-L604 HydrophobicContact CD1-CD2 4.21Å; L570-L604 HydrophobicContact CD2-CD2 3.92Å; L570-L604 HydrophobicContact CG-CD2 4.29Å; L570-N607 HydrophobicContact CD1-CB 4.31Å
571	M	92.1	Very high	86.3	Confident	15 Å²	15	45.5 Å²	45.5	7%	0.074	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	13.3	-173.9	-65.7	-64.2	105.3	0	0	114.1	E569 T584 L586 L604 S608 N610 K613	E569-M571 PolarHBondContact O-N 3.32Å; M571-T584 VanDerWaalsContact O-CG2 3.29Å; M571-T584 WeakPolarHBondContact O-CG2 3.31Å; M571-L586 HydrophobicContact CE-CB 3.57Å; M571-L586 HydrophobicContact CE-CD2 4.17Å; M571-L586 HydrophobicContact CE-CG 4.49Å; M571-L586 HydrophobicContact SD-CB 4.07Å; M571-L586 HydrophobicContact SD-CD2 3.94Å; M571-L604 HydrophobicContact CE-CB 4.44Å; M571-L604 HydrophobicContact CE-CD2 4.24Å; M571-S608 WeakPolarHBondContact CE-OG 3.38Å; M571-N610 VanDerWaalsContact CG-O 3.3Å; M571-N610 WeakPolarHBondContact CG-O 3.15Å; M571-K613 HydrophobicContact CB-CG 4.28Å; M571-K613 VanDerWaalsContact O-CE 3.3Å; M571-K613 WeakPolarHBondContact O-CE 3.28Å
572	E	90.6	Very high	85.9	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	28%	0.283	S	S	.	.	S	Bend	trans	-79.1	154.1	167.1	-75.4	-56.9	104.8	0	0	111.9	M545 E569 K613	M545-E572 HydrophobicContact CE-CB 3.79Å; M545-E572 HydrophobicContact SD-CB 4.38Å; E569-E572 HydrophobicContact CB-CG 3.81Å; E569-E572 PolarHBondContact O-N 3.13Å; E572-K613 IonicContact OE1-NZ 2.66Å; E572-K613 PolarHBondContact OE1-NZ 3.04Å
573	P	90	Very high	85.7	Confident	61 Å²	61	45.8 Å²	45.8	40%	0.396	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-59.7	142	177	-25.6	36.4	0	0	0	113	M545	M545-P573 WeakPolarHBondContact CE-O 3.44Å
574	L	88.6	Confident	85.7	Confident	19 Å²	19	45.7 Å²	45.7	10%	0.099	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-72.6	146.3	176.8	-63.3	169.7	0	0	0	111.2	F549 E576 E583 A585 Y588	F549-L574 HydrophobicContact CB-CD2 4.14Å; F549-L574 HydrophobicContact CD2-CB 4.47Å; F549-L574 HydrophobicContact CD2-CD1 3.9Å; F549-L574 HydrophobicContact CD2-CD2 4.06Å; F549-L574 HydrophobicContact CD2-CG 4.37Å; F549-L574 HydrophobicContact CE2-CD1 4.27Å; L574-E576 VanDerWaalsContact C-N 3.32Å; L574-E576 PolarHBondContact O-N 3.04Å; L574-E583 WeakPolarHBondContact CG-O 3.35Å; L574-E583 PolarHBondContact N-O 3.3Å; L574-A585 HydrophobicContact CD2-CB 4.23Å; L574-Y588 HydrophobicContact CD1-CD2 4.19Å; L574-Y588 HydrophobicContact CD1-CG 4.17Å
575	P	76.6	Confident	85.7	Confident	88 Å²	88	43.9 Å²	43.9	57%	0.571	27%	0.273	S	S	*	.	S	Bend	trans	-69.1	-24.7	179	-21.5	34	0	0	0	114.8	M545	M545-P575 HydrophobicContact CB-CG 4.19Å
576	E	68.5	Low	85.7	Confident	122 Å²	122	43.8 Å²	43.8	57%	0.57	27%	0.272	S	S	*	.	S	Bend	trans	-89.6	135.1	178.7	-66.9	-160.5	178	0	0	111.7	F549 L574 G578	F549-E576 HydrophobicContact CD1-CG 4.41Å; F549-E576 HydrophobicContact CE1-CB 4.24Å; F549-E576 HydrophobicContact CE1-CG 3.87Å; F549-E576 WeakPolarHBondContact CE1-OE2 3.47Å; F549-E576 HydrophobicContact CE2-CB 4.38Å; F549-E576 HydrophobicContact CZ-CB 3.94Å; F549-E576 HydrophobicContact CZ-CG 4.1Å; F549-E576 VanDerWaalsContact CZ-OE2 3.23Å; F549-E576 WeakPolarHBondContact CZ-OE2 3.41Å; L574-E576 VanDerWaalsContact C-N 3.32Å; L574-E576 PolarHBondContact O-N 3.04Å; E576-G578 PolarHBondContact O-N 3.22Å
577	A	58	Low	85.8	Confident	93 Å²	93	42.9 Å²	42.9	77%	0.769	27%	0.268	S	S	*	.			trans	-72	101	178.9	0	0	0	0	0	111
578	G	68.6	Low	86	Confident	24 Å²	24	42.4 Å²	42.4	25%	0.247	25%	0.251	C	S	.	.			trans	-64.3	-174.5	160.9	0	0	0	0	0	112.4	E576 E580	E576-G578 PolarHBondContact O-N 3.22Å; G578-E580 PolarHBondContact O-N 3.41Å; G578-E580 VanDerWaalsContact O-N 3.17Å
579	P	75.3	Confident	86.2	Confident	78 Å²	78	41.9 Å²	41.9	51%	0.506	25%	0.249	S	C	.	.	S	Bend	trans	-57.7	-25.5	174.4	24.2	-35	0	0	0	113.5	E583	P579-E583 VanDerWaalsContact CD-OE1 3.25Å; P579-E583 WeakPolarHBondContact CD-OE1 3.27Å; P579-E583 VanDerWaalsContact CG-OE1 3.3Å; P579-E583 WeakPolarHBondContact CG-OE1 3.25Å
580	E	82.8	Confident	86.5	Confident	12 Å²	12	35.1 Å²	35.1	6%	0.056	22%	0.217	C	C	.	.	S	Bend	trans	-122.2	142.5	170.7	-60.2	-178.9	-161.6	0	0	110.1	G578 T615 W617 N619	G578-E580 PolarHBondContact O-N 3.41Å; G578-E580 VanDerWaalsContact O-N 3.17Å; E580-T615 HydrophobicContact CB-CG2 4.13Å; E580-T615 VanDerWaalsContact OE2-CB 3.23Å; E580-T615 WeakPolarHBondContact OE2-CB 3.48Å; E580-T615 WeakPolarHBondContact OE2-CG2 3.23Å; E580-T615 PolarHBondContact OE2-OG1 3.3Å; E580-W617 VanDerWaalsContact CD-CE3 3.49Å; E580-W617 HydrophobicContact CG-CD2 3.99Å; E580-W617 HydrophobicContact CG-CE3 3.69Å; E580-W617 HydrophobicContact CG-CG 4.5Å; E580-W617 HydrophobicContact CG-CZ3 4.03Å; E580-N619 VanDerWaalsContact CD-ND2 3.34Å; E580-N619 PolarHBondContact OE1-ND2 3.43Å; E580-N619 PolarHBondContact OE2-ND2 3.28Å; E580-N619 VanDerWaalsContact OE2-ND2 3.08Å
581	V	86.4	Confident	86.6	Confident	79 Å²	79	37 Å²	37	48%	0.479	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	143	169.9	178.7	0	0	0	0	108.5	E616	V581-E616 HydrophobicContact CB-CB 4.45Å; V581-E616 HydrophobicContact CB-CG 3.89Å; V581-E616 HydrophobicContact CG1-CG 3.93Å; V581-E616 PolarHBondContact O-N 2.89Å
582	G	88.4	Confident	86.6	Confident	19 Å²	19	38.2 Å²	38.2	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	4.4	-176	0	0	0	0	0	114.9	T584	G582-T584 PolarHBondContact O-N 2.87Å
583	E	92	Very high	86.7	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.019	22%	0.218	C	C	.	.			trans	-54.6	124.3	169	-82.6	-169	173.7	0	0	111.1	L574 P579 H587 R591 T615 Y624	L574-E583 WeakPolarHBondContact CG-O 3.35Å; L574-E583 PolarHBondContact N-O 3.3Å; P579-E583 VanDerWaalsContact CD-OE1 3.25Å; P579-E583 WeakPolarHBondContact CD-OE1 3.27Å; P579-E583 VanDerWaalsContact CG-OE1 3.3Å; P579-E583 WeakPolarHBondContact CG-OE1 3.25Å; E583-H587 HydrophobicContact CB-CB 4.09Å; E583-H587 HydrophobicContact CG-CB 3.96Å; E583-R591 IonicContact OE1-CZ 2.69Å; E583-R591 IonicContact OE1-NE 3.2Å; E583-R591 PolarHBondContact OE1-NE 3Å; E583-R591 IonicContact OE1-NH2 3.97Å; E583-R591 IonicContact OE2-CZ 2.75Å; E583-R591 IonicContact OE2-NE 3.96Å; E583-R591 PolarHBondContact OE2-NE 3.18Å; E583-R591 IonicContact OE2-NH2 2.71Å; E583-R591 PolarHBondContact OE2-NH2 2.92Å; E583-T615 HydrophobicContact CG-CG2 4.34Å; E583-Y624 HydrophobicContact CG-CE1 4.13Å; E583-Y624 VanDerWaalsContact CG-OH 3.26Å; E583-Y624 WeakPolarHBondContact CG-OH 3.39Å; E583-Y624 WeakPolarHBondContact OE1-CE1 3.46Å; E583-Y624 PolarHBondContact OE1-OH 3.44Å
584	T	94	Very high	86.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-87.9	170.8	169.8	71.3	0	0	0	0	110.9	M571 G582 L586 H587 Y588 K613	M571-T584 VanDerWaalsContact O-CG2 3.29Å; M571-T584 WeakPolarHBondContact O-CG2 3.31Å; G582-T584 PolarHBondContact O-N 2.87Å; T584-L586 PolarHBondContact O-N 2.77Å; T584-L586 VanDerWaalsContact O-N 3.09Å; T584-L586 PolarHBondContact OG1-N 2.95Å; T584-H587 PolarHBondContact N-ND1 3.29Å; T584-H587 WeakPolarHBondContact O-CB 3.33Å; T584-H587 PolarHBondContact O-N 3.32Å; T584-H587 PolarHBondContact OG1-ND1 2.84Å; T584-Y588 PolarHBondContact O-N 2.96Å; T584-Y588 VanDerWaalsContact O-N 3.11Å; T584-K613 HydrophobicContact CG2-CB 4.16Å
585	A	93.9	Very high	86.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-50.4	-35.6	174.1	0	0	0	0	0	113	L548 I552 L574 A589 L604	L548-A585 HydrophobicContact CD1-CB 4.21Å; L548-A585 HydrophobicContact CD2-CB 4.14Å; L548-A585 HydrophobicContact CG-CB 4.14Å; I552-A585 HydrophobicContact CG1-CB 4.43Å; L574-A585 HydrophobicContact CD2-CB 4.23Å; A585-A589 WeakPolarHBondContact O-CB 3.34Å; A585-A589 PolarHBondContact O-N 2.91Å; A585-L604 HydrophobicContact CB-CD1 4.17Å; A585-L604 HydrophobicContact CB-CD2 4.22Å
586	L	95.8	Very high	86.8	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-71.1	-38.7	178.4	-178.3	58.9	0	0	0	113	M571 T584 A589 V590 V601 L604 V605 L611 A621 L637	M571-L586 HydrophobicContact CE-CB 3.57Å; M571-L586 HydrophobicContact CE-CD2 4.17Å; M571-L586 HydrophobicContact CE-CG 4.49Å; M571-L586 HydrophobicContact SD-CB 4.07Å; M571-L586 HydrophobicContact SD-CD2 3.94Å; T584-L586 PolarHBondContact O-N 2.77Å; T584-L586 VanDerWaalsContact O-N 3.09Å; T584-L586 PolarHBondContact OG1-N 2.95Å; L586-A589 PolarHBondContact O-N 2.88Å; L586-V590 HydrophobicContact CD1-CG2 4.29Å; L586-V590 WeakPolarHBondContact O-CB 3.29Å; L586-V590 VanDerWaalsContact O-CG2 3.25Å; L586-V590 WeakPolarHBondContact O-CG2 3.48Å; L586-V590 PolarHBondContact O-N 3.49Å; L586-V601 HydrophobicContact CD1-CG1 4.2Å; L586-L604 HydrophobicContact CB-CD1 4.31Å; L586-L604 HydrophobicContact CD1-CB 4.05Å; L586-L604 HydrophobicContact CD1-CD1 4.44Å; L586-V605 HydrophobicContact CD1-CG2 3.83Å; L586-V605 HydrophobicContact CD2-CG2 4.46Å; L586-L611 HydrophobicContact CD2-CD2 3.93Å; L586-A621 HydrophobicContact CD2-CB 3.97Å; L586-A621 HydrophobicContact CG-CB 3.93Å; L586-L637 HydrophobicContact CD1-CD2 4.41Å; L586-L637 HydrophobicContact CD2-CD2 4.01Å; L586-L637 HydrophobicContact CG-CD2 4.5Å
587	H	95.6	Very high	88	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-47.2	174.8	-69.2	84.1	0	0	0	111.1	E583 T584 R591 K613 N619 T620 A621 Y624	E583-H587 HydrophobicContact CB-CB 4.09Å; E583-H587 HydrophobicContact CG-CB 3.96Å; T584-H587 PolarHBondContact N-ND1 3.29Å; T584-H587 WeakPolarHBondContact O-CB 3.33Å; T584-H587 PolarHBondContact O-N 3.32Å; T584-H587 PolarHBondContact OG1-ND1 2.84Å; H587-R591 VanDerWaalsContact O-CB 3.3Å; H587-R591 WeakPolarHBondContact O-CB 3.41Å; H587-R591 PolarHBondContact O-N 2.82Å; H587-K613 PolarHBondContact CE1-O 3.33Å; H587-K613 VanDerWaalsContact CE1-O 3.23Å; H587-N619 PolarHBondContact NE2-O 3.34Å; H587-T620 WeakPolarHBondContact NE2-CA 3.34Å; H587-A621 PolarHBondContact NE2-N 3.46Å; H587-A621 VanDerWaalsContact NE2-N 3.19Å; H587-Y624 HydrophobicContact CB-CD1 3.92Å; H587-Y624 HydrophobicContact CB-CE1 3.8Å; H587-Y624 AromaticContact CD2-CD2 3.77Å; H587-Y624 AromaticContact CD2-CE2 3.93Å; H587-Y624 AromaticContact CD2-CG 3.87Å; H587-Y624 WeakPolarHBondContact O-CD1 3.32Å
588	Y	94.5	Very high	89.7	Confident	37 Å²	37	28.3 Å²	28.3	15%	0.145	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-50	175.7	-171.9	-73.2	0	0	0	110.9	F549 I552 L574 T584 V590 R591 T592	F549-Y588 HydrophobicContact CD2-CD2 4.45Å; F549-Y588 AromaticContact CE2-CD2 3.68Å; F549-Y588 HydrophobicContact CE2-CD2 3.68Å; F549-Y588 AromaticContact CE2-CE2 3.47Å; F549-Y588 HydrophobicContact CE2-CE2 3.47Å; F549-Y588 VanDerWaalsContact CE2-CE2 3.47Å; F549-Y588 HydrophobicContact CE2-CG 4.43Å; F549-Y588 AromaticContact CZ-CE2 3.97Å; F549-Y588 HydrophobicContact CZ-CE2 3.97Å; I552-Y588 HydrophobicContact CG2-CD1 3.66Å; I552-Y588 HydrophobicContact CG2-CE1 4.23Å; L574-Y588 HydrophobicContact CD1-CD2 4.19Å; L574-Y588 HydrophobicContact CD1-CG 4.17Å; T584-Y588 PolarHBondContact O-N 2.96Å; T584-Y588 VanDerWaalsContact O-N 3.11Å; Y588-V590 PolarHBondContact O-N 3.49Å; Y588-R591 PolarHBondContact O-N 3.03Å; Y588-R591 VanDerWaalsContact O-N 3.16Å; Y588-T592 HydrophobicContact CD1-CG2 3.94Å; Y588-T592 HydrophobicContact CE1-CG2 3.52Å; Y588-T592 PolarHBondContact O-N 3.34Å; Y588-T592 PolarHBondContact O-OG1 2.92Å
589	A	95.8	Very high	91	Very high	4 Å²	4	28 Å²	28	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-55.1	-51.4	-179.9	0	0	0	0	0	111.4	I552 A585 L586 R591 T592 A593 V601 L604	I552-A589 HydrophobicContact CG2-CB 3.85Å; A585-A589 WeakPolarHBondContact O-CB 3.34Å; A585-A589 PolarHBondContact O-N 2.91Å; L586-A589 PolarHBondContact O-N 2.88Å; A589-R591 PolarHBondContact O-N 3.13Å; A589-T592 CarbonylContact O-C 3.58Å; A589-T592 PolarHBondContact O-N 3.26Å; A589-T592 PolarHBondContact O-OG1 2.94Å; A589-A593 WeakPolarHBondContact O-CA 3.44Å; A589-A593 VanDerWaalsContact O-CB 3.28Å; A589-A593 WeakPolarHBondContact O-CB 3.43Å; A589-A593 PolarHBondContact O-N 2.96Å; A589-V601 HydrophobicContact CB-CG2 3.95Å; A589-L604 HydrophobicContact CB-CD1 3.84Å
590	V	96.6	Very high	92	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.6	-49.2	175.3	169	0	0	0	0	111.4	L586 Y588 T592 A593 V601 C625 K630 C633 L637	L586-V590 HydrophobicContact CD1-CG2 4.29Å; L586-V590 WeakPolarHBondContact O-CB 3.29Å; L586-V590 VanDerWaalsContact O-CG2 3.25Å; L586-V590 WeakPolarHBondContact O-CG2 3.48Å; L586-V590 PolarHBondContact O-N 3.49Å; Y588-V590 PolarHBondContact O-N 3.49Å; V590-T592 VanDerWaalsContact C-N 3.29Å; V590-T592 PolarHBondContact O-N 3.03Å; V590-A593 WeakPolarHBondContact O-CB 3.5Å; V590-A593 PolarHBondContact O-N 3.46Å; V590-V601 HydrophobicContact CG2-CG1 4.19Å; V590-V601 HydrophobicContact CG2-CG2 4.46Å; V590-C625 HydrophobicContact CG1-CB 4.45Å; V590-C625 WeakPolarHBondContact CG1-SG 3.48Å; V590-K630 HydrophobicContact CG1-CB 4.38Å; V590-K630 HydrophobicContact CG1-CG 4.21Å; V590-K630 WeakPolarHBondContact O-CE 3.45Å; V590-K630 WeakPolarHBondContact O-CG 3.39Å; V590-C633 HydrophobicContact CG1-CB 4.32Å; V590-C633 HydrophobicContact CG2-CB 4.17Å; V590-L637 HydrophobicContact CG2-CD1 4.28Å
591	R	94.3	Very high	92.7	Very high	47 Å²	47	24 Å²	24	18%	0.177	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-39.2	-179.3	-176.4	168.3	53.4	55.7	-2.9	112.1	E583 H587 Y588 A589 Y624 Y628	E583-R591 IonicContact OE1-CZ 2.69Å; E583-R591 IonicContact OE1-NE 3.2Å; E583-R591 PolarHBondContact OE1-NE 3Å; E583-R591 IonicContact OE1-NH2 3.97Å; E583-R591 IonicContact OE2-CZ 2.75Å; E583-R591 IonicContact OE2-NE 3.96Å; E583-R591 PolarHBondContact OE2-NE 3.18Å; E583-R591 IonicContact OE2-NH2 2.71Å; E583-R591 PolarHBondContact OE2-NH2 2.92Å; H587-R591 VanDerWaalsContact O-CB 3.3Å; H587-R591 WeakPolarHBondContact O-CB 3.41Å; H587-R591 PolarHBondContact O-N 2.82Å; Y588-R591 PolarHBondContact O-N 3.03Å; Y588-R591 VanDerWaalsContact O-N 3.16Å; A589-R591 PolarHBondContact O-N 3.13Å; R591-Y624 HydrophobicContact CB-CD1 4.16Å; R591-Y624 HydrophobicContact CB-CE1 4.3Å; R591-Y628 HydrophobicContact CB-CD2 4.06Å; R591-Y628 HydrophobicContact CB-CE2 4.1Å; R591-Y628 VanDerWaalsContact CD-CZ 3.42Å; R591-Y628 WeakPolarHBondContact CD-OH 3.43Å; R591-Y628 HydrophobicContact CG-CD1 4.22Å; R591-Y628 HydrophobicContact CG-CD2 3.88Å; R591-Y628 HydrophobicContact CG-CE1 4.02Å; R591-Y628 HydrophobicContact CG-CE2 3.66Å; R591-Y628 HydrophobicContact CG-CG 4.16Å
592	T	92.6	Very high	93.2	Very high	40 Å²	40	20.2 Å²	20.2	25%	0.245	11%	0.108	C	C	.	.	H	α-helix	trans	-93.8	0.4	-179.7	61.8	0	0	0	0	115.6	R555 Y588 A589 V590	R555-T592 PolarHBondContact NH2-O 3.18Å; Y588-T592 HydrophobicContact CD1-CG2 3.94Å; Y588-T592 HydrophobicContact CE1-CG2 3.52Å; Y588-T592 PolarHBondContact O-N 3.34Å; Y588-T592 PolarHBondContact O-OG1 2.92Å; A589-T592 CarbonylContact O-C 3.58Å; A589-T592 PolarHBondContact O-N 3.26Å; A589-T592 PolarHBondContact O-OG1 2.94Å; V590-T592 VanDerWaalsContact C-N 3.29Å; V590-T592 PolarHBondContact O-N 3.03Å
593	A	93.4	Very high	93.6	Very high	5 Å²	5	19.4 Å²	19.4	4%	0.041	10%	0.099	C	C	.	.			trans	-69	146.2	-173.8	0	0	0	0	0	113.4	A589 V590 V601 K630 C633	A589-A593 WeakPolarHBondContact O-CA 3.44Å; A589-A593 VanDerWaalsContact O-CB 3.28Å; A589-A593 WeakPolarHBondContact O-CB 3.43Å; A589-A593 PolarHBondContact O-N 2.96Å; V590-A593 WeakPolarHBondContact O-CB 3.5Å; V590-A593 PolarHBondContact O-N 3.46Å; A593-V601 HydrophobicContact CB-CG2 4.3Å; A593-K630 PolarHBondContact O-NZ 3.25Å; A593-C633 WeakPolarHBondContact CB-SG 3.43Å
594	D	88.8	Confident	93.8	Very high	63 Å²	63	19.2 Å²	19.2	34%	0.337	10%	0.098	S	C	.	.			trans	-144.9	-175.3	169	61.4	26.3	0	0	0	110.3	R555 T596 S597	R555-D594 IonicContact CZ-OD1 2.67Å; R555-D594 IonicContact CZ-OD2 3.77Å; R555-D594 VanDerWaalsContact NH1-CG 3.34Å; R555-D594 IonicContact NH1-OD1 3.5Å; R555-D594 PolarHBondContact NH1-OD1 3.19Å; R555-D594 IonicContact NH1-OD2 3.83Å; R555-D594 PolarHBondContact NH1-OD2 3.31Å; R555-D594 VanDerWaalsContact NH2-CG 3.32Å; R555-D594 IonicContact NH2-OD1 3.89Å; R555-D594 IonicContact NH2-OD2 2.7Å; R555-D594 PolarHBondContact NH2-OD2 3.46Å; D594-T596 PolarHBondContact O-N 3.29Å; D594-T596 WeakPolarHBondContact OD1-CB 3.48Å; D594-T596 PolarHBondContact OD1-N 3.5Å; D594-T596 PolarHBondContact OD1-OG1 2.67Å; D594-S597 PolarHBondContact N-OG 3.11Å; D594-S597 PolarHBondContact O-N 2.63Å; D594-S597 VanDerWaalsContact O-N 3.07Å; D594-S597 PolarHBondContact O-OG 3.45Å; D594-S597 PolarHBondContact OD1-N 2.87Å; D594-S597 PolarHBondContact OD1-OG 2.69Å
595	Q	80.2	Confident	93.9	Very high	113 Å²	113	19.3 Å²	19.3	53%	0.528	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.5	-177.8	-67	173.7	-16	0	0	114.2	Y686 E687	Q595-Y686 WeakPolarHBondContact O-CD2 3.17Å; Q595-Y686 WeakPolarHBondContact O-CE2 3.32Å; Q595-E687 PolarHBondContact O-N 2.92Å
596	T	86.6	Confident	93.9	Very high	56 Å²	56	19.5 Å²	19.5	34%	0.344	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-15.7	176.1	70.5	0	0	0	0	113.8	R555 D594 H599 Y686 E687	R555-T596 PolarHBondContact NH1-OG1 3.39Å; D594-T596 PolarHBondContact O-N 3.29Å; D594-T596 WeakPolarHBondContact OD1-CB 3.48Å; D594-T596 PolarHBondContact OD1-N 3.5Å; D594-T596 PolarHBondContact OD1-OG1 2.67Å; T596-H599 PolarHBondContact O-CE1 3.45Å; T596-H599 PolarHBondContact O-ND1 3.49Å; T596-Y686 WeakPolarHBondContact O-CE2 3.5Å; T596-Y686 PolarHBondContact O-OH 2.81Å; T596-E687 WeakPolarHBondContact CG2-OE2 3.33Å
597	S	93.4	Very high	93.9	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	3.3	-161.9	46	0	0	0	0	115	D594 H599 L600	D594-S597 PolarHBondContact N-OG 3.11Å; D594-S597 PolarHBondContact O-N 2.63Å; D594-S597 VanDerWaalsContact O-N 3.07Å; D594-S597 PolarHBondContact O-OG 3.45Å; D594-S597 PolarHBondContact OD1-N 2.87Å; D594-S597 PolarHBondContact OD1-OG 2.69Å; S597-H599 PolarHBondContact O-N 2.7Å; S597-H599 VanDerWaalsContact O-N 3.11Å; S597-L600 WeakPolarHBondContact O-CB 3.48Å; S597-L600 PolarHBondContact O-N 3.4Å; S597-L600 VanDerWaalsContact O-N 3.09Å
598	L	95.6	Very high	93.6	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-56.5	-27.2	178.3	-63.1	-177.5	0	0	0	114.1	L486 L600 V601 D602 E632 L636 V684 E685 Y686	L486-L598 HydrophobicContact CD2-CB 3.93Å; L598-L600 PolarHBondContact O-N 3.17Å; L598-V601 PolarHBondContact O-N 3.42Å; L598-V601 VanDerWaalsContact O-N 3.15Å; L598-D602 PolarHBondContact O-N 3.25Å; L598-E632 HydrophobicContact CD1-CB 3.74Å; L598-E632 HydrophobicContact CD1-CG 4.39Å; L598-E632 HydrophobicContact CD2-CB 3.98Å; L598-L636 HydrophobicContact CB-CD1 4.17Å; L598-V684 HydrophobicContact CD1-CB 4.3Å; L598-E685 WeakPolarHBondContact CD1-O 3.33Å; L598-Y686 HydrophobicContact CB-CD2 3.94Å; L598-Y686 HydrophobicContact CB-CE2 4.4Å; L598-Y686 HydrophobicContact CD1-CD2 4.27Å; L598-Y686 HydrophobicContact CG-CD2 4.25Å
599	H	95.3	Very high	92.9	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-26.9	178.3	59.7	-108.6	0	0	0	112.9	L486 L487 N490 L557 T596 S597 F603 Y686	L486-H599 HydrophobicContact CD1-CB 4.23Å; L486-H599 HydrophobicContact CG-CB 4.01Å; L487-H599 HydrophobicContact CD2-CB 4.29Å; L487-H599 VanDerWaalsContact CD2-O 3.26Å; L487-H599 WeakPolarHBondContact CD2-O 3.31Å; N490-H599 HydrophobicContact CB-CB 4.47Å; L557-H599 HydrophobicContact CD2-CB 4.25Å; T596-H599 PolarHBondContact O-CE1 3.45Å; T596-H599 PolarHBondContact O-ND1 3.49Å; S597-H599 PolarHBondContact O-N 2.7Å; S597-H599 VanDerWaalsContact O-N 3.11Å; H599-F603 WeakPolarHBondContact O-CB 3.43Å; H599-F603 PolarHBondContact O-N 3.13Å; H599-Y686 AromaticContact ND1-CE2 3.83Å; H599-Y686 AromaticContact ND1-CZ 3.74Å; H599-Y686 PolarHBondContact ND1-OH 2.9Å
600	L	97	Very high	92.5	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-71.3	-42.9	174.7	-55	168.9	0	0	0	110.7	I552 R555 L557 L560 S597 L598 F603 L604	I552-L600 HydrophobicContact CD1-CB 4.13Å; I552-L600 HydrophobicContact CD1-CD2 4.49Å; R555-L600 HydrophobicContact CB-CD1 3.84Å; R555-L600 HydrophobicContact CG-CD1 3.96Å; L557-L600 HydrophobicContact CB-CD2 4.13Å; L557-L600 HydrophobicContact CD1-CD2 4.36Å; L560-L600 HydrophobicContact CD2-CB 4.49Å; L560-L600 HydrophobicContact CD2-CD2 4.04Å; S597-L600 WeakPolarHBondContact O-CB 3.48Å; S597-L600 PolarHBondContact O-N 3.4Å; S597-L600 VanDerWaalsContact O-N 3.09Å; L598-L600 PolarHBondContact O-N 3.17Å; L600-F603 PolarHBondContact O-N 3.35Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 VanDerWaalsContact O-CG 3.3Å; L600-L604 WeakPolarHBondContact O-CG 3.49Å; L600-L604 PolarHBondContact O-N 3.13Å
601	V	97.1	Very high	92.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-44.9	176.6	179.6	0	0	0	0	109.9	L586 A589 V590 A593 L598 L604 V605 C633 L636	L586-V601 HydrophobicContact CD1-CG1 4.2Å; A589-V601 HydrophobicContact CB-CG2 3.95Å; V590-V601 HydrophobicContact CG2-CG1 4.19Å; V590-V601 HydrophobicContact CG2-CG2 4.46Å; A593-V601 HydrophobicContact CB-CG2 4.3Å; L598-V601 PolarHBondContact O-N 3.42Å; L598-V601 VanDerWaalsContact O-N 3.15Å; V601-L604 PolarHBondContact O-N 3.44Å; V601-V605 HydrophobicContact CG1-CG2 4.27Å; V601-V605 WeakPolarHBondContact O-CB 3.33Å; V601-V605 VanDerWaalsContact O-CG2 3.25Å; V601-V605 WeakPolarHBondContact O-CG2 3.31Å; V601-V605 PolarHBondContact O-N 3.25Å; V601-C633 HydrophobicContact CG1-CB 4.25Å; V601-L636 HydrophobicContact CB-CD1 4.38Å; V601-L636 HydrophobicContact CG1-CD1 4.31Å
602	D	96	Very high	92.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-42.7	176.6	-171.8	54.9	0	0	0	112.3	L486 L487 L598 L604 V605 Q606 L636	L486-D602 HydrophobicContact CD2-CB 3.95Å; L487-D602 WeakPolarHBondContact CG-OD2 3.37Å; L598-D602 PolarHBondContact O-N 3.25Å; D602-L604 PolarHBondContact O-N 3.22Å; D602-V605 PolarHBondContact O-N 2.99Å; D602-Q606 VanDerWaalsContact O-CB 3.3Å; D602-Q606 WeakPolarHBondContact O-CB 3.27Å; D602-Q606 VanDerWaalsContact O-CG 3.31Å; D602-Q606 WeakPolarHBondContact O-CG 3.48Å; D602-Q606 PolarHBondContact O-N 3.43Å; D602-Q606 WeakPolarHBondContact OD1-CG 3.27Å; D602-Q606 PolarHBondContact OD1-NE2 3.45Å; D602-Q606 PolarHBondContact OD2-NE2 2.64Å; D602-L636 HydrophobicContact CB-CD1 4.16Å; D602-L636 HydrophobicContact CB-CD2 4.07Å
603	F	97.6	Very high	92.5	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-45.5	175.6	-173	-91.1	0	0	0	112.1	L487 L557 L560 I561 Y564 H599 L600 Q606 N607	L487-F603 HydrophobicContact CD1-CB 4.39Å; L487-F603 HydrophobicContact CD1-CD2 4.06Å; L487-F603 HydrophobicContact CD2-CB 3.86Å; L487-F603 HydrophobicContact CD2-CD2 4.37Å; L557-F603 HydrophobicContact CD1-CB 3.87Å; L557-F603 HydrophobicContact CD1-CD2 4.24Å; L557-F603 HydrophobicContact CD1-CG 4.07Å; L560-F603 HydrophobicContact CD1-CD1 4.45Å; L560-F603 HydrophobicContact CD2-CB 4.03Å; L560-F603 HydrophobicContact CD2-CD1 3.57Å; L560-F603 HydrophobicContact CD2-CE1 4.42Å; L560-F603 HydrophobicContact CD2-CG 4.05Å; L560-F603 HydrophobicContact CG-CD1 3.67Å; L560-F603 HydrophobicContact CG-CE1 4.02Å; L560-F603 HydrophobicContact CG-CG 4.48Å; I561-F603 HydrophobicContact CD1-CE2 4.28Å; I561-F603 HydrophobicContact CG1-CD2 4.1Å; I561-F603 HydrophobicContact CG1-CE2 3.56Å; I561-F603 HydrophobicContact CG1-CZ 3.8Å; Y564-F603 HydrophobicContact CD1-CE1 4.5Å; Y564-F603 AromaticContact CD1-CZ 3.82Å; Y564-F603 HydrophobicContact CD1-CZ 3.82Å; Y564-F603 HydrophobicContact CD2-CE1 4.34Å; Y564-F603 HydrophobicContact CD2-CZ 4.37Å; Y564-F603 HydrophobicContact CE1-CZ 4.42Å; Y564-F603 HydrophobicContact CG-CE1 4Å; Y564-F603 AromaticContact CG-CZ 3.78Å; Y564-F603 HydrophobicContact CG-CZ 3.78Å; H599-F603 WeakPolarHBondContact O-CB 3.43Å; H599-F603 PolarHBondContact O-N 3.13Å; L600-F603 PolarHBondContact O-N 3.35Å; F603-Q606 PolarHBondContact O-N 3.41Å; F603-N607 WeakPolarHBondContact CD2-ND2 3.36Å; F603-N607 HydrophobicContact CE1-CB 4.47Å; F603-N607 WeakPolarHBondContact CE2-ND2 2.79Å; F603-N607 HydrophobicContact CZ-CB 4.49Å; F603-N607 WeakPolarHBondContact O-CB 3.45Å; F603-N607 PolarHBondContact O-N 3.4Å; F603-N607 VanDerWaalsContact O-N 3.08Å; F603-N607 PolarHBondContact O-ND2 3.43Å
604	L	96.8	Very high	92.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-46.8	176.5	-71.5	173.6	0	0	0	111.4	I552 L560 L570 M571 A585 L586 A589 L600 V601 D602 Q606 S608	I552-L604 HydrophobicContact CD1-CD1 3.86Å; I552-L604 HydrophobicContact CD1-CG 4.43Å; L560-L604 HydrophobicContact CD1-CD2 4.19Å; L560-L604 HydrophobicContact CD2-CG 4.43Å; L570-L604 HydrophobicContact CB-CD2 4.06Å; L570-L604 HydrophobicContact CD1-CD2 4.21Å; L570-L604 HydrophobicContact CD2-CD2 3.92Å; L570-L604 HydrophobicContact CG-CD2 4.29Å; M571-L604 HydrophobicContact CE-CB 4.44Å; M571-L604 HydrophobicContact CE-CD2 4.24Å; A585-L604 HydrophobicContact CB-CD1 4.17Å; A585-L604 HydrophobicContact CB-CD2 4.22Å; L586-L604 HydrophobicContact CB-CD1 4.31Å; L586-L604 HydrophobicContact CD1-CB 4.05Å; L586-L604 HydrophobicContact CD1-CD1 4.44Å; A589-L604 HydrophobicContact CB-CD1 3.84Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 VanDerWaalsContact O-CG 3.3Å; L600-L604 WeakPolarHBondContact O-CG 3.49Å; L600-L604 PolarHBondContact O-N 3.13Å; V601-L604 PolarHBondContact O-N 3.44Å; D602-L604 PolarHBondContact O-N 3.22Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 3Å; L604-S608 WeakPolarHBondContact O-CB 3.14Å; L604-S608 PolarHBondContact O-N 3.04Å; L604-S608 PolarHBondContact O-OG 3.11Å
605	V	95.5	Very high	92.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-37	179.4	169	0	0	0	0	112.1	L586 V601 D602 L611 L637	L586-V605 HydrophobicContact CD1-CG2 3.83Å; L586-V605 HydrophobicContact CD2-CG2 4.46Å; V601-V605 HydrophobicContact CG1-CG2 4.27Å; V601-V605 WeakPolarHBondContact O-CB 3.33Å; V601-V605 VanDerWaalsContact O-CG2 3.25Å; V601-V605 WeakPolarHBondContact O-CG2 3.31Å; V601-V605 PolarHBondContact O-N 3.25Å; D602-V605 PolarHBondContact O-N 2.99Å; V605-L611 HydrophobicContact CG1-CD1 4.01Å; V605-L611 HydrophobicContact CG2-CD2 4.44Å; V605-L637 HydrophobicContact CG2-CD2 3.71Å; V605-L637 HydrophobicContact CG2-CG 4.08Å
606	Q	94.2	Very high	93.3	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-81.6	-24.5	-177.1	-67.8	-151.8	73.7	0	0	114.3	T448 N449 R471 D602 F603 L604	T448-Q606 PolarHBondContact O-NE2 2.98Å; N449-Q606 HydrophobicContact CB-CB 3.76Å; R471-Q606 PolarHBondContact NH1-O 2.99Å; R471-Q606 PolarHBondContact NH2-O 3.24Å; D602-Q606 VanDerWaalsContact O-CB 3.3Å; D602-Q606 WeakPolarHBondContact O-CB 3.27Å; D602-Q606 VanDerWaalsContact O-CG 3.31Å; D602-Q606 WeakPolarHBondContact O-CG 3.48Å; D602-Q606 PolarHBondContact O-N 3.43Å; D602-Q606 WeakPolarHBondContact OD1-CG 3.27Å; D602-Q606 PolarHBondContact OD1-NE2 3.45Å; D602-Q606 PolarHBondContact OD2-NE2 2.64Å; F603-Q606 PolarHBondContact O-N 3.41Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 3Å
607	N	94.7	Very high	93.6	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-114.8	6.1	-176.4	-57.1	-72.6	0	0	0	114.5	N449 Y564 L570 F603	N449-N607 PolarHBondContact ND2-OD1 2.73Å; N449-N607 PolarHBondContact O-ND2 2.94Å; N449-N607 PolarHBondContact O-OD1 3.16Å; Y564-N607 HydrophobicContact CD2-CB 4.42Å; Y564-N607 HydrophobicContact CE2-CB 3.83Å; L570-N607 HydrophobicContact CD1-CB 4.31Å; F603-N607 WeakPolarHBondContact CD2-ND2 3.36Å; F603-N607 HydrophobicContact CE1-CB 4.47Å; F603-N607 WeakPolarHBondContact CE2-ND2 2.79Å; F603-N607 HydrophobicContact CZ-CB 4.49Å; F603-N607 WeakPolarHBondContact O-CB 3.45Å; F603-N607 PolarHBondContact O-N 3.4Å; F603-N607 VanDerWaalsContact O-N 3.08Å; F603-N607 PolarHBondContact O-ND2 3.43Å
608	S	90.7	Very high	93.6	Very high	17 Å²	17	35.7 Å²	35.7	12%	0.119	20%	0.195	C	C	.	.			trans	-95.2	139	173.1	-62.8	0	0	0	0	112.3	M571 L604	M571-S608 WeakPolarHBondContact CE-OG 3.38Å; L604-S608 WeakPolarHBondContact O-CB 3.14Å; L604-S608 PolarHBondContact O-N 3.04Å; L604-S608 PolarHBondContact O-OG 3.11Å
609	G	78.9	Confident	93.6	Very high	93 Å²	93	35.8 Å²	35.8	96%	0.959	20%	0.195	S	C	*	.	S	Bend	trans	-81.5	-14.9	-179.7	0	0	0	0	0	115.9
610	N	88.4	Confident	93.7	Very high	79 Å²	79	35.1 Å²	35.1	42%	0.422	19%	0.192	S	C	.	.			trans	-150.2	114.8	179.3	-179.7	-15.9	0	0	0	109.6	M571 D612	M571-N610 VanDerWaalsContact CG-O 3.3Å; M571-N610 WeakPolarHBondContact CG-O 3.15Å; N610-D612 WeakPolarHBondContact OD1-CA 3.48Å; N610-D612 WeakPolarHBondContact OD1-CB 3.4Å; N610-D612 PolarHBondContact OD1-N 3.42Å
611	L	93.9	Very high	93.7	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	19%	0.191	C	C	.	.	S	Bend	trans	-92.8	-7.2	-178.3	-56	177.7	0	0	0	113	L586 V605 P642	L586-L611 HydrophobicContact CD2-CD2 3.93Å; V605-L611 HydrophobicContact CG1-CD1 4.01Å; V605-L611 HydrophobicContact CG2-CD2 4.44Å; L611-P642 HydrophobicContact CB-CB 4.06Å; L611-P642 HydrophobicContact CD1-CB 4.5Å
612	D	95	Very high	93.7	Very high	44 Å²	44	35 Å²	35	24%	0.235	19%	0.191	C	C	.	.			trans	-99	8.9	-167	-62.2	-39	0	0	0	113.2	N610 Q614 P642 A643 I646	N610-D612 WeakPolarHBondContact OD1-CA 3.48Å; N610-D612 WeakPolarHBondContact OD1-CB 3.4Å; N610-D612 PolarHBondContact OD1-N 3.42Å; D612-Q614 PolarHBondContact O-N 3.22Å; D612-P642 VanDerWaalsContact OD1-CA 3.32Å; D612-P642 WeakPolarHBondContact OD1-CA 2.87Å; D612-P642 WeakPolarHBondContact OD1-CB 3.49Å; D612-A643 PolarHBondContact OD1-N 2.89Å; D612-A643 PolarHBondContact OD2-N 3.34Å; D612-I646 HydrophobicContact CB-CD1 3.64Å
613	K	94.3	Very high	93.8	Very high	69 Å²	69	35 Å²	35	30%	0.3	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-52.8	132.7	169.3	-73.3	-96.4	-165.5	162.5	0	109.8	M571 E572 T584 H587	M571-K613 HydrophobicContact CB-CG 4.28Å; M571-K613 VanDerWaalsContact O-CE 3.3Å; M571-K613 WeakPolarHBondContact O-CE 3.28Å; E572-K613 IonicContact OE1-NZ 2.66Å; E572-K613 PolarHBondContact OE1-NZ 3.04Å; T584-K613 HydrophobicContact CG2-CB 4.16Å; H587-K613 PolarHBondContact CE1-O 3.33Å; H587-K613 VanDerWaalsContact CE1-O 3.23Å
614	Q	94.3	Very high	93.7	Very high	90 Å²	90	34.9 Å²	34.9	42%	0.421	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-103	147.5	179.1	-68.5	177.6	-71.7	0	0	111.4	D612 G618 N619 T620 I646 A647	D612-Q614 PolarHBondContact O-N 3.22Å; Q614-G618 PolarHBondContact NE2-O 3.38Å; Q614-N619 CarbonylContact C-O 3.59Å; Q614-N619 WeakPolarHBondContact CA-O 3.32Å; Q614-T620 HydrophobicContact CG-CG2 3.67Å; Q614-I646 HydrophobicContact CG-CG2 4.23Å; Q614-I646 VanDerWaalsContact NE2-CG2 3.33Å; Q614-A647 PolarHBondContact NE2-O 2.74Å; Q614-A647 VanDerWaalsContact NE2-O 3.14Å
615	T	93.8	Very high	93.8	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.049	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.2	173.5	161.5	65.8	0	0	0	0	111.1	E580 E583 W617 G618 N619 Y624	E580-T615 HydrophobicContact CB-CG2 4.13Å; E580-T615 VanDerWaalsContact OE2-CB 3.23Å; E580-T615 WeakPolarHBondContact OE2-CB 3.48Å; E580-T615 WeakPolarHBondContact OE2-CG2 3.23Å; E580-T615 PolarHBondContact OE2-OG1 3.3Å; E583-T615 HydrophobicContact CG-CG2 4.34Å; T615-W617 PolarHBondContact O-N 3.04Å; T615-W617 VanDerWaalsContact O-N 3.16Å; T615-W617 PolarHBondContact OG1-N 3.37Å; T615-G618 PolarHBondContact O-N 3.45Å; T615-N619 PolarHBondContact N-O 3.22Å; T615-N619 PolarHBondContact OG1-N 3.14Å; T615-Y624 HydrophobicContact CG2-CE2 4.02Å
616	E	90.9	Very high	93.9	Very high	125 Å²	125	34.7 Å²	34.7	58%	0.584	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	171.5	-78.4	-163.4	162.3	0	0	112.5	V581 G618 Q649	V581-E616 HydrophobicContact CB-CB 4.45Å; V581-E616 HydrophobicContact CB-CG 3.89Å; V581-E616 HydrophobicContact CG1-CG 3.93Å; V581-E616 PolarHBondContact O-N 2.89Å; E616-G618 VanDerWaalsContact C-N 3.25Å; E616-G618 PolarHBondContact O-N 3.34Å; E616-Q649 PolarHBondContact O-NE2 2.94Å
617	W	91.9	Very high	93.9	Very high	145 Å²	145	37.1 Å²	37.1	55%	0.549	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.2	178.3	-65.6	1	0	0	0	113.8	E580 T615 N619 Q649	E580-W617 VanDerWaalsContact CD-CE3 3.49Å; E580-W617 HydrophobicContact CG-CD2 3.99Å; E580-W617 HydrophobicContact CG-CE3 3.69Å; E580-W617 HydrophobicContact CG-CG 4.5Å; E580-W617 HydrophobicContact CG-CZ3 4.03Å; T615-W617 PolarHBondContact O-N 3.04Å; T615-W617 VanDerWaalsContact O-N 3.16Å; T615-W617 PolarHBondContact OG1-N 3.37Å; W617-N619 VanDerWaalsContact C-N 3.29Å; W617-N619 PolarHBondContact O-N 3.4Å; W617-Q649 WeakPolarHBondContact O-CB 3.3Å; W617-Q649 WeakPolarHBondContact O-CG 3.16Å; W617-Q649 PolarHBondContact O-N 3.06Å
618	G	94.3	Very high	93.9	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	21%	0.212	C	C	.	.			trans	80.9	4.3	179.7	0	0	0	0	0	114.1	Q614 T615 E616 N648	Q614-G618 PolarHBondContact NE2-O 3.38Å; T615-G618 PolarHBondContact O-N 3.45Å; E616-G618 VanDerWaalsContact C-N 3.25Å; E616-G618 PolarHBondContact O-N 3.34Å; G618-N648 WeakPolarHBondContact O-CA 3.31Å
619	N	95.8	Very high	94.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	24%	0.238	C	C	.	.			trans	-75.6	133.3	178.9	-69.1	-43.5	0	0	0	109.8	E580 H587 Q614 T615 W617 H623 Y624 N648	E580-N619 VanDerWaalsContact CD-ND2 3.34Å; E580-N619 PolarHBondContact OE1-ND2 3.43Å; E580-N619 PolarHBondContact OE2-ND2 3.28Å; E580-N619 VanDerWaalsContact OE2-ND2 3.08Å; H587-N619 PolarHBondContact NE2-O 3.34Å; Q614-N619 CarbonylContact C-O 3.59Å; Q614-N619 WeakPolarHBondContact CA-O 3.32Å; T615-N619 PolarHBondContact N-O 3.22Å; T615-N619 PolarHBondContact OG1-N 3.14Å; W617-N619 VanDerWaalsContact C-N 3.29Å; W617-N619 PolarHBondContact O-N 3.4Å; N619-H623 HydrophobicContact CB-CB 3.97Å; N619-Y624 HydrophobicContact CB-CD2 4.06Å; N619-Y624 HydrophobicContact CB-CE2 3.94Å; N619-N648 WeakPolarHBondContact OD1-CB 3.35Å; N619-N648 PolarHBondContact OD1-ND2 2.67Å
620	T	96.8	Very high	94.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	20%	0.202	C	C	.	.			trans	-98.1	173.7	170.2	65.9	0	0	0	0	111	H587 Q614 L622 H623 Y624 I646	H587-T620 WeakPolarHBondContact NE2-CA 3.34Å; Q614-T620 HydrophobicContact CG-CG2 3.67Å; T620-L622 PolarHBondContact O-N 3.19Å; T620-L622 VanDerWaalsContact O-N 3.15Å; T620-L622 PolarHBondContact OG1-N 3.25Å; T620-H623 PolarHBondContact N-ND1 2.94Å; T620-H623 WeakPolarHBondContact O-CA 3.36Å; T620-H623 WeakPolarHBondContact O-CB 3.3Å; T620-H623 PolarHBondContact O-N 3.45Å; T620-H623 PolarHBondContact OG1-ND1 3.24Å; T620-Y624 PolarHBondContact O-N 2.87Å; T620-I646 HydrophobicContact CG2-CB 4.38Å; T620-I646 HydrophobicContact CG2-CD1 4.42Å; T620-I646 HydrophobicContact CG2-CG2 3.82Å
621	A	96.6	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-32.2	174.3	0	0	0	0	0	113.3	L586 H587 Y624 C625 L637	L586-A621 HydrophobicContact CD2-CB 3.97Å; L586-A621 HydrophobicContact CG-CB 3.93Å; H587-A621 PolarHBondContact NE2-N 3.46Å; H587-A621 VanDerWaalsContact NE2-N 3.19Å; A621-Y624 WeakPolarHBondContact O-CB 3.08Å; A621-Y624 PolarHBondContact O-N 3.35Å; A621-C625 PolarHBondContact O-N 2.91Å; A621-L637 HydrophobicContact CB-CD1 3.84Å; A621-L637 HydrophobicContact CB-CD2 3.76Å; A621-L637 HydrophobicContact CB-CG 4.49Å
622	L	97.3	Very high	95.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-40.5	172.9	-64.9	178	0	0	0	112.5	T620 C625 C626 L634 L637 L638 P642 T644 A654	T620-L622 PolarHBondContact O-N 3.19Å; T620-L622 VanDerWaalsContact O-N 3.15Å; T620-L622 PolarHBondContact OG1-N 3.25Å; L622-C625 WeakPolarHBondContact O-CB 3.2Å; L622-C625 PolarHBondContact O-N 3.47Å; L622-C626 PolarHBondContact O-N 3.34Å; L622-C626 PolarHBondContact O-SG 3.24Å; L622-L634 HydrophobicContact CB-CD1 4.49Å; L622-L634 HydrophobicContact CD2-CD1 3.61Å; L622-L637 HydrophobicContact CD2-CB 3.86Å; L622-L637 HydrophobicContact CD2-CD1 4.26Å; L622-L638 HydrophobicContact CD2-CD2 3.97Å; L622-L638 HydrophobicContact CD2-CG 4.32Å; L622-P642 HydrophobicContact CD1-CB 4.14Å; L622-P642 HydrophobicContact CD1-CG 3.91Å; L622-P642 HydrophobicContact CD2-CG 3.83Å; L622-P642 HydrophobicContact CG-CB 4.39Å; L622-P642 HydrophobicContact CG-CG 4.01Å; L622-T644 HydrophobicContact CD1-CG2 4Å; L622-A654 HydrophobicContact CB-CB 3.66Å
623	H	97.6	Very high	95.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-45.1	175.2	-65	75.2	0	0	0	109.9	N619 T620 C625 C626 I627 I646 E652 A654	N619-H623 HydrophobicContact CB-CB 3.97Å; T620-H623 PolarHBondContact N-ND1 2.94Å; T620-H623 WeakPolarHBondContact O-CA 3.36Å; T620-H623 WeakPolarHBondContact O-CB 3.3Å; T620-H623 PolarHBondContact O-N 3.45Å; T620-H623 PolarHBondContact OG1-ND1 3.24Å; H623-C625 VanDerWaalsContact C-N 3.31Å; H623-C625 PolarHBondContact O-N 2.88Å; H623-C626 WeakPolarHBondContact O-CA 3.46Å; H623-C626 WeakPolarHBondContact O-CB 3.38Å; H623-C626 PolarHBondContact O-N 3.43Å; H623-I627 HydrophobicContact CB-CD1 4.35Å; H623-I627 VanDerWaalsContact O-CG1 3.28Å; H623-I627 WeakPolarHBondContact O-CG1 3.31Å; H623-I627 PolarHBondContact O-N 3.36Å; H623-I646 PolarHBondContact CE1-O 3.39Å; H623-I646 VanDerWaalsContact CE1-O 3.23Å; H623-E652 PolarHBondContact NE2-O 3.4Å; H623-A654 PolarHBondContact NE2-N 3.26Å
624	Y	96.9	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-40.8	176.3	-94.4	-128.9	0	0	0	112.8	E583 H587 R591 T615 N619 T620 A621 C626 I627 Y628	E583-Y624 HydrophobicContact CG-CE1 4.13Å; E583-Y624 VanDerWaalsContact CG-OH 3.26Å; E583-Y624 WeakPolarHBondContact CG-OH 3.39Å; E583-Y624 WeakPolarHBondContact OE1-CE1 3.46Å; E583-Y624 PolarHBondContact OE1-OH 3.44Å; H587-Y624 HydrophobicContact CB-CD1 3.92Å; H587-Y624 HydrophobicContact CB-CE1 3.8Å; H587-Y624 AromaticContact CD2-CD2 3.77Å; H587-Y624 AromaticContact CD2-CE2 3.93Å; H587-Y624 AromaticContact CD2-CG 3.87Å; H587-Y624 WeakPolarHBondContact O-CD1 3.32Å; R591-Y624 HydrophobicContact CB-CD1 4.16Å; R591-Y624 HydrophobicContact CB-CE1 4.3Å; T615-Y624 HydrophobicContact CG2-CE2 4.02Å; N619-Y624 HydrophobicContact CB-CD2 4.06Å; N619-Y624 HydrophobicContact CB-CE2 3.94Å; T620-Y624 PolarHBondContact O-N 2.87Å; A621-Y624 WeakPolarHBondContact O-CB 3.08Å; A621-Y624 PolarHBondContact O-N 3.35Å; Y624-C626 VanDerWaalsContact C-N 3.25Å; Y624-C626 PolarHBondContact O-N 3.31Å; Y624-I627 PolarHBondContact O-N 2.91Å; Y624-Y628 AromaticContact CD1-CD2 3.98Å; Y624-Y628 HydrophobicContact CD1-CD2 3.98Å; Y624-Y628 AromaticContact CD1-CE2 3.68Å; Y624-Y628 HydrophobicContact CD1-CE2 3.68Å; Y624-Y628 AromaticContact CE1-CE2 3.78Å; Y624-Y628 HydrophobicContact CE1-CE2 3.78Å; Y624-Y628 HydrophobicContact CG-CD2 4.23Å; Y624-Y628 HydrophobicContact CG-CE2 4.08Å; Y624-Y628 WeakPolarHBondContact O-CB 3.34Å; Y624-Y628 WeakPolarHBondContact O-CD2 3.31Å; Y624-Y628 PolarHBondContact O-N 3.48Å
625	C	97.4	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-33.5	172.9	-84.6	0	0	0	0	114	V590 A621 L622 H623 E629 K630 C633 L634 L637	V590-C625 HydrophobicContact CG1-CB 4.45Å; V590-C625 WeakPolarHBondContact CG1-SG 3.48Å; A621-C625 PolarHBondContact O-N 2.91Å; L622-C625 WeakPolarHBondContact O-CB 3.2Å; L622-C625 PolarHBondContact O-N 3.47Å; H623-C625 VanDerWaalsContact C-N 3.31Å; H623-C625 PolarHBondContact O-N 2.88Å; C625-E629 PolarHBondContact O-N 3.31Å; C625-K630 HydrophobicContact CB-CB 4.47Å; C625-K630 PolarHBondContact O-N 2.9Å; C625-C633 VanDerWaalsContact SG-C 3.57Å; C625-C633 WeakPolarHBondContact SG-CB 3.48Å; C625-L634 HydrophobicContact CB-CB 3.87Å; C625-L634 HydrophobicContact CB-CD1 3.77Å; C625-L634 HydrophobicContact CB-CG 4.39Å; C625-L634 PolarHBondContact SG-N 3.5Å; C625-L637 VanDerWaalsContact SG-CD1 3.55Å
626	C	97.4	Very high	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-79.7	-42.5	178.9	-58.2	0	0	0	0	111.3	L622 H623 Y624 A654 V657 A658 L661 N663	L622-C626 PolarHBondContact O-N 3.34Å; L622-C626 PolarHBondContact O-SG 3.24Å; H623-C626 WeakPolarHBondContact O-CA 3.46Å; H623-C626 WeakPolarHBondContact O-CB 3.38Å; H623-C626 PolarHBondContact O-N 3.43Å; Y624-C626 VanDerWaalsContact C-N 3.25Å; Y624-C626 PolarHBondContact O-N 3.31Å; C626-A654 PolarHBondContact SG-O 3.3Å; C626-V657 HydrophobicContact CB-CB 4.34Å; C626-V657 HydrophobicContact CB-CG1 3.95Å; C626-A658 HydrophobicContact CB-CB 4.19Å; C626-L661 WeakPolarHBondContact O-CD1 3.32Å; C626-N663 PolarHBondContact O-ND2 2.91Å
627	I	95.5	Very high	95.6	Very high	56 Å²	56	27.8 Å²	27.8	29%	0.287	13%	0.125	S	C	.	.	H	α-helix	trans	-63.6	-42.7	178.6	-66.7	165.9	0	0	0	112.1	H623 Y624 V657	H623-I627 HydrophobicContact CB-CD1 4.35Å; H623-I627 VanDerWaalsContact O-CG1 3.28Å; H623-I627 WeakPolarHBondContact O-CG1 3.31Å; H623-I627 PolarHBondContact O-N 3.36Å; Y624-I627 PolarHBondContact O-N 2.91Å; I627-V657 HydrophobicContact CG1-CG1 3.82Å
628	Y	95	Very high	95.7	Very high	76 Å²	76	21.3 Å²	21.3	30%	0.298	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	14.8	-175.1	-63	-66.6	0	0	0	114.1	R591 Y624 K630	R591-Y628 HydrophobicContact CB-CD2 4.06Å; R591-Y628 HydrophobicContact CB-CE2 4.1Å; R591-Y628 VanDerWaalsContact CD-CZ 3.42Å; R591-Y628 WeakPolarHBondContact CD-OH 3.43Å; R591-Y628 HydrophobicContact CG-CD1 4.22Å; R591-Y628 HydrophobicContact CG-CD2 3.88Å; R591-Y628 HydrophobicContact CG-CE1 4.02Å; R591-Y628 HydrophobicContact CG-CE2 3.66Å; R591-Y628 HydrophobicContact CG-CG 4.16Å; Y624-Y628 AromaticContact CD1-CD2 3.98Å; Y624-Y628 HydrophobicContact CD1-CD2 3.98Å; Y624-Y628 AromaticContact CD1-CE2 3.68Å; Y624-Y628 HydrophobicContact CD1-CE2 3.68Å; Y624-Y628 AromaticContact CE1-CE2 3.78Å; Y624-Y628 HydrophobicContact CE1-CE2 3.78Å; Y624-Y628 HydrophobicContact CG-CD2 4.23Å; Y624-Y628 HydrophobicContact CG-CE2 4.08Å; Y624-Y628 WeakPolarHBondContact O-CB 3.34Å; Y624-Y628 WeakPolarHBondContact O-CD2 3.31Å; Y624-Y628 PolarHBondContact O-N 3.48Å; Y628-K630 WeakPolarHBondContact O-CD 3.37Å; Y628-K630 VanDerWaalsContact O-CE 3.24Å; Y628-K630 WeakPolarHBondContact O-CE 3.46Å; Y628-K630 WeakPolarHBondContact O-CG 3.27Å; Y628-K630 PolarHBondContact O-N 3.44Å
629	E	94.7	Very high	95.5	Very high	142 Å²	142	23 Å²	23	66%	0.664	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	56.6	178.2	-62.8	-178	-131.8	0	0	113.6	C625 P631	C625-E629 PolarHBondContact O-N 3.31Å; E629-P631 VanDerWaalsContact C-CD 3.43Å; E629-P631 WeakPolarHBondContact O-CD 3.23Å
630	K	95.7	Very high	95.2	Very high	50 Å²	50	24.1 Å²	24.1	22%	0.217	12%	0.119	C	C	.	.			trans	-114.5	69.9	-176.1	-50.7	-63.8	-174.9	177.8	0	112.9	V590 A593 C625 Y628 E632 C633 L634	V590-K630 HydrophobicContact CG1-CB 4.38Å; V590-K630 HydrophobicContact CG1-CG 4.21Å; V590-K630 WeakPolarHBondContact O-CE 3.45Å; V590-K630 WeakPolarHBondContact O-CG 3.39Å; A593-K630 PolarHBondContact O-NZ 3.25Å; C625-K630 HydrophobicContact CB-CB 4.47Å; C625-K630 PolarHBondContact O-N 2.9Å; Y628-K630 WeakPolarHBondContact O-CD 3.37Å; Y628-K630 VanDerWaalsContact O-CE 3.24Å; Y628-K630 WeakPolarHBondContact O-CE 3.46Å; Y628-K630 WeakPolarHBondContact O-CG 3.27Å; Y628-K630 PolarHBondContact O-N 3.44Å; K630-E632 VanDerWaalsContact C-N 3.32Å; K630-E632 PolarHBondContact O-N 2.92Å; K630-C633 HydrophobicContact CB-CB 3.89Å; K630-C633 PolarHBondContact O-N 3.18Å; K630-L634 PolarHBondContact O-N 3.25Å
631	P	94.1	Very high	94.9	Very high	25 Å²	25	32.9 Å²	32.9	16%	0.162	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-37.1	-178.4	25.1	-34	0	0	0	112.9	E629 C633 L634 K635 Q665	E629-P631 VanDerWaalsContact C-CD 3.43Å; E629-P631 WeakPolarHBondContact O-CD 3.23Å; P631-C633 PolarHBondContact O-N 3.08Å; P631-L634 WeakPolarHBondContact O-CB 3.42Å; P631-L634 PolarHBondContact O-N 3.41Å; P631-L634 VanDerWaalsContact O-N 3.15Å; P631-K635 WeakPolarHBondContact O-CG 3.44Å; P631-K635 PolarHBondContact O-N 3.37Å; P631-Q665 HydrophobicContact CB-CB 3.91Å; P631-Q665 HydrophobicContact CG-CB 4.5Å
632	E	94.1	Very high	94.7	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-39	-179.3	-54.4	-48.2	98.1	0	0	112.5	L598 K630 L634 K635 L636 V684 E685	L598-E632 HydrophobicContact CD1-CB 3.74Å; L598-E632 HydrophobicContact CD1-CG 4.39Å; L598-E632 HydrophobicContact CD2-CB 3.98Å; K630-E632 VanDerWaalsContact C-N 3.32Å; K630-E632 PolarHBondContact O-N 2.92Å; E632-L634 VanDerWaalsContact C-N 3.31Å; E632-K635 PolarHBondContact O-N 3.08Å; E632-K635 WeakPolarHBondContact OE1-CE 3.25Å; E632-K635 IonicContact OE1-NZ 3.42Å; E632-K635 PolarHBondContact OE1-NZ 2.87Å; E632-K635 IonicContact OE2-NZ 3.28Å; E632-K635 PolarHBondContact OE2-NZ 3.49Å; E632-L636 WeakPolarHBondContact O-CG 3.5Å; E632-L636 PolarHBondContact O-N 3.47Å; E632-V684 VanDerWaalsContact OE2-CA 3.27Å; E632-V684 WeakPolarHBondContact OE2-CA 3.49Å; E632-E685 HydrophobicContact CG-CB 4.23Å; E632-E685 PolarHBondContact OE2-N 3.49Å
633	C	96.1	Very high	94.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-35.9	171.7	-60.4	0	0	0	0	111.8	V590 A593 V601 C625 K630 P631 L636 L637	V590-C633 HydrophobicContact CG1-CB 4.32Å; V590-C633 HydrophobicContact CG2-CB 4.17Å; A593-C633 WeakPolarHBondContact CB-SG 3.43Å; V601-C633 HydrophobicContact CG1-CB 4.25Å; C625-C633 VanDerWaalsContact SG-C 3.57Å; C625-C633 WeakPolarHBondContact SG-CB 3.48Å; K630-C633 HydrophobicContact CB-CB 3.89Å; K630-C633 PolarHBondContact O-N 3.18Å; P631-C633 PolarHBondContact O-N 3.08Å; C633-L636 PolarHBondContact O-N 3.35Å; C633-L637 WeakPolarHBondContact O-CB 3.37Å; C633-L637 WeakPolarHBondContact O-CG 3.24Å; C633-L637 PolarHBondContact O-N 2.87Å
634	L	95.9	Very high	94.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-43.3	175.9	-172.3	74.5	0	0	0	111.1	L622 C625 K630 P631 E632 L636 L637 L638 C666 A669 L670	L622-L634 HydrophobicContact CB-CD1 4.49Å; L622-L634 HydrophobicContact CD2-CD1 3.61Å; C625-L634 HydrophobicContact CB-CB 3.87Å; C625-L634 HydrophobicContact CB-CD1 3.77Å; C625-L634 HydrophobicContact CB-CG 4.39Å; C625-L634 PolarHBondContact SG-N 3.5Å; K630-L634 PolarHBondContact O-N 3.25Å; P631-L634 WeakPolarHBondContact O-CB 3.42Å; P631-L634 PolarHBondContact O-N 3.41Å; P631-L634 VanDerWaalsContact O-N 3.15Å; E632-L634 VanDerWaalsContact C-N 3.31Å; L634-L636 VanDerWaalsContact C-N 3.35Å; L634-L636 PolarHBondContact O-N 2.93Å; L634-L637 PolarHBondContact O-N 2.86Å; L634-L638 HydrophobicContact CD1-CD1 4.47Å; L634-L638 HydrophobicContact CD2-CD1 4.36Å; L634-L638 HydrophobicContact CG-CD1 3.92Å; L634-L638 HydrophobicContact CG-CG 4.33Å; L634-L638 WeakPolarHBondContact O-CB 3.36Å; L634-L638 VanDerWaalsContact O-CG 3.28Å; L634-L638 WeakPolarHBondContact O-CG 3.32Å; L634-L638 PolarHBondContact O-N 3.07Å; L634-C666 VanDerWaalsContact CD2-CA 3.45Å; L634-C666 HydrophobicContact CD2-CB 3.58Å; L634-A669 HydrophobicContact CD2-CB 3.86Å; L634-L670 HydrophobicContact CD1-CD1 4.32Å; L634-L670 HydrophobicContact CD1-CD2 4.44Å; L634-L670 HydrophobicContact CD1-CG 4.29Å; L634-L670 HydrophobicContact CD2-CD1 4.25Å; L634-L670 HydrophobicContact CD2-CG 4.14Å
635	K	94.6	Very high	94.3	Very high	50 Å²	50	42.6 Å²	42.6	22%	0.217	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-50.2	175.3	-66.3	170.2	-174.8	170.3	0	110.6	P631 E632 L638 R639 F678 I682 H683	P631-K635 WeakPolarHBondContact O-CG 3.44Å; P631-K635 PolarHBondContact O-N 3.37Å; E632-K635 PolarHBondContact O-N 3.08Å; E632-K635 WeakPolarHBondContact OE1-CE 3.25Å; E632-K635 IonicContact OE1-NZ 3.42Å; E632-K635 PolarHBondContact OE1-NZ 2.87Å; E632-K635 IonicContact OE2-NZ 3.28Å; E632-K635 PolarHBondContact OE2-NZ 3.49Å; K635-L638 PolarHBondContact O-N 2.87Å; K635-R639 PolarHBondContact O-N 2.86Å; K635-F678 HydrophobicContact CB-CZ 4.39Å; K635-I682 VanDerWaalsContact C-CD1 3.41Å; K635-I682 HydrophobicContact CB-CD1 3.86Å; K635-I682 VanDerWaalsContact O-CD1 3.25Å; K635-I682 WeakPolarHBondContact O-CD1 3.32Å; K635-H683 PolarHBondContact NZ-O 3Å; K635-H683 VanDerWaalsContact NZ-O 3.1Å
636	L	94.8	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-49.5	178.3	-69.4	171.2	0	0	0	111.6	L486 L598 V601 D602 E632 C633 L634 L638 R639 G640 I682 V684	L486-L636 HydrophobicContact CD2-CD1 4.39Å; L486-L636 HydrophobicContact CD2-CD2 4.49Å; L598-L636 HydrophobicContact CB-CD1 4.17Å; V601-L636 HydrophobicContact CB-CD1 4.38Å; V601-L636 HydrophobicContact CG1-CD1 4.31Å; D602-L636 HydrophobicContact CB-CD1 4.16Å; D602-L636 HydrophobicContact CB-CD2 4.07Å; E632-L636 WeakPolarHBondContact O-CG 3.5Å; E632-L636 PolarHBondContact O-N 3.47Å; C633-L636 PolarHBondContact O-N 3.35Å; L634-L636 VanDerWaalsContact C-N 3.35Å; L634-L636 PolarHBondContact O-N 2.93Å; L636-L638 PolarHBondContact O-N 3.16Å; L636-R639 WeakPolarHBondContact O-CB 3.4Å; L636-R639 PolarHBondContact O-N 3.47Å; L636-G640 PolarHBondContact O-N 3Å; L636-I682 HydrophobicContact CD2-CD1 4.15Å; L636-V684 HydrophobicContact CD2-CG1 4.01Å; L636-V684 HydrophobicContact CG-CG1 4.13Å
637	L	95.1	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-54.7	-52.4	174.6	-80.9	161.3	0	0	0	111.7	L586 V590 V605 A621 L622 C625 C633 L634 R639 G640 K641 P642	L586-L637 HydrophobicContact CD1-CD2 4.41Å; L586-L637 HydrophobicContact CD2-CD2 4.01Å; L586-L637 HydrophobicContact CG-CD2 4.5Å; V590-L637 HydrophobicContact CG2-CD1 4.28Å; V605-L637 HydrophobicContact CG2-CD2 3.71Å; V605-L637 HydrophobicContact CG2-CG 4.08Å; A621-L637 HydrophobicContact CB-CD1 3.84Å; A621-L637 HydrophobicContact CB-CD2 3.76Å; A621-L637 HydrophobicContact CB-CG 4.49Å; L622-L637 HydrophobicContact CD2-CB 3.86Å; L622-L637 HydrophobicContact CD2-CD1 4.26Å; C625-L637 VanDerWaalsContact SG-CD1 3.55Å; C633-L637 WeakPolarHBondContact O-CB 3.37Å; C633-L637 WeakPolarHBondContact O-CG 3.24Å; C633-L637 PolarHBondContact O-N 2.87Å; L634-L637 PolarHBondContact O-N 2.86Å; L637-R639 VanDerWaalsContact C-N 3.28Å; L637-R639 PolarHBondContact O-N 2.84Å; L637-G640 VanDerWaalsContact O-CA 3.26Å; L637-G640 WeakPolarHBondContact O-CA 3.42Å; L637-G640 PolarHBondContact O-N 2.88Å; L637-K641 PolarHBondContact O-N 3.33Å; L637-P642 HydrophobicContact CB-CG 4.48Å; L637-P642 WeakPolarHBondContact O-CD 3.28Å
638	L	94.2	Very high	94.2	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-31.4	-177.4	-69.5	173.8	0	0	0	113.1	L622 L634 K635 L636 G640 K641 T644 A669 L670 A673 F678	L622-L638 HydrophobicContact CD2-CD2 3.97Å; L622-L638 HydrophobicContact CD2-CG 4.32Å; L634-L638 HydrophobicContact CD1-CD1 4.47Å; L634-L638 HydrophobicContact CD2-CD1 4.36Å; L634-L638 HydrophobicContact CG-CD1 3.92Å; L634-L638 HydrophobicContact CG-CG 4.33Å; L634-L638 WeakPolarHBondContact O-CB 3.36Å; L634-L638 VanDerWaalsContact O-CG 3.28Å; L634-L638 WeakPolarHBondContact O-CG 3.32Å; L634-L638 PolarHBondContact O-N 3.07Å; K635-L638 PolarHBondContact O-N 2.87Å; L636-L638 PolarHBondContact O-N 3.16Å; L638-G640 PolarHBondContact O-N 3.09Å; L638-K641 PolarHBondContact O-N 3.06Å; L638-K641 VanDerWaalsContact O-N 3.07Å; L638-T644 HydrophobicContact CD2-CG2 3.77Å; L638-A669 HydrophobicContact CD1-CB 3.95Å; L638-L670 HydrophobicContact CD2-CD2 4.14Å; L638-A673 HydrophobicContact CD1-CB 4.12Å; L638-A673 HydrophobicContact CD2-CB 3.77Å; L638-A673 HydrophobicContact CG-CB 4.43Å; L638-F678 HydrophobicContact CB-CD1 4.2Å; L638-F678 HydrophobicContact CB-CD2 4.45Å; L638-F678 HydrophobicContact CB-CE1 3.72Å; L638-F678 HydrophobicContact CB-CE2 4.01Å; L638-F678 HydrophobicContact CB-CZ 3.61Å; L638-F678 HydrophobicContact CD1-CD2 4.18Å; L638-F678 HydrophobicContact CD1-CE2 3.79Å; L638-F678 HydrophobicContact CD1-CZ 4.22Å
639	R	90.8	Very high	94.2	Very high	44 Å²	44	47.8 Å²	47.8	17%	0.166	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-31.7	168.7	168.4	-179.1	157.5	162.7	-3.1	112.4	S483 E484 K635 L636 L637 K641 I682	S483-R639 PolarHBondContact OG-NH1 3.18Å; E484-R639 VanDerWaalsContact CG-NH1 3.29Å; E484-R639 IonicContact OE2-NH1 2.77Å; E484-R639 PolarHBondContact OE2-NH1 2.9Å; K635-R639 PolarHBondContact O-N 2.86Å; L636-R639 WeakPolarHBondContact O-CB 3.4Å; L636-R639 PolarHBondContact O-N 3.47Å; L637-R639 VanDerWaalsContact C-N 3.28Å; L637-R639 PolarHBondContact O-N 2.84Å; R639-K641 VanDerWaalsContact C-N 3.27Å; R639-K641 PolarHBondContact O-N 3.04Å; R639-I682 HydrophobicContact CB-CD1 3.83Å
640	G	88.8	Confident	94.1	Very high	30 Å²	30	47.1 Å²	47.1	31%	0.309	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9	172.3	0	0	0	0	0	115.4	L636 L637 L638	L636-G640 PolarHBondContact O-N 3Å; L637-G640 VanDerWaalsContact O-CA 3.26Å; L637-G640 WeakPolarHBondContact O-CA 3.42Å; L637-G640 PolarHBondContact O-N 2.88Å; L638-G640 PolarHBondContact O-N 3.09Å
641	K	90.2	Very high	94.1	Very high	185 Å²	185	47.3 Å²	47.3	80%	0.804	27%	0.267	S	S	*	.			trans	56.5	50	-178.6	-53.9	-177.2	-178.7	-179.3	0	116.7	L637 L638 R639	L637-K641 PolarHBondContact O-N 3.33Å; L638-K641 PolarHBondContact O-N 3.06Å; L638-K641 VanDerWaalsContact O-N 3.07Å; R639-K641 VanDerWaalsContact C-N 3.27Å; R639-K641 PolarHBondContact O-N 3.04Å
642	P	93.2	Very high	94.3	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.071	27%	0.267	C	S	.	.			trans	-61	160.6	164.8	28.6	-36	0	0	0	112.1	L611 D612 L622 L637 T644	L611-P642 HydrophobicContact CB-CB 4.06Å; L611-P642 HydrophobicContact CD1-CB 4.5Å; D612-P642 VanDerWaalsContact OD1-CA 3.32Å; D612-P642 WeakPolarHBondContact OD1-CA 2.87Å; D612-P642 WeakPolarHBondContact OD1-CB 3.49Å; L622-P642 HydrophobicContact CD1-CB 4.14Å; L622-P642 HydrophobicContact CD1-CG 3.91Å; L622-P642 HydrophobicContact CD2-CG 3.83Å; L622-P642 HydrophobicContact CG-CB 4.39Å; L622-P642 HydrophobicContact CG-CG 4.01Å; L637-P642 HydrophobicContact CB-CG 4.48Å; L637-P642 WeakPolarHBondContact O-CD 3.28Å; P642-T644 PolarHBondContact O-N 3.05Å
643	A	93.9	Very high	94.4	Very high	31 Å²	31	48.2 Å²	48.2	26%	0.256	27%	0.271	S	S	.	.			trans	-70.6	117.4	172.8	0	0	0	0	0	111.2	D612 I646	D612-A643 PolarHBondContact OD1-N 2.89Å; D612-A643 PolarHBondContact OD2-N 3.34Å; A643-I646 HydrophobicContact CB-CD1 3.71Å; A643-I646 HydrophobicContact CB-CG1 3.85Å
644	T	94.5	Very high	94.5	Very high	41 Å²	41	48.2 Å²	48.2	25%	0.252	27%	0.27	S	S	.	.	S	Bend	trans	-87.9	-8.7	-176.2	53.4	0	0	0	0	114.1	L622 L638 P642 L670 A673	L622-T644 HydrophobicContact CD1-CG2 4Å; L638-T644 HydrophobicContact CD2-CG2 3.77Å; P642-T644 PolarHBondContact O-N 3.05Å; T644-L670 HydrophobicContact CG2-CD2 4.07Å; T644-A673 HydrophobicContact CG2-CB 4.48Å
645	D	94	Very high	94.5	Very high	124 Å²	124	49.5 Å²	49.5	66%	0.663	28%	0.277	S	S	*	.	S	Bend	trans	-101.3	-4.5	-175.6	64.3	-33.3	0	0	0	114	A647	D645-A647 PolarHBondContact O-N 2.74Å
646	I	96.4	Very high	94.7	Very high	39 Å²	39	50.2 Å²	50.2	20%	0.2	28%	0.283	C	S	.	.			trans	-60.9	131	171.9	-66.3	178	0	0	0	109.5	D612 Q614 T620 H623 A643	D612-I646 HydrophobicContact CB-CD1 3.64Å; Q614-I646 HydrophobicContact CG-CG2 4.23Å; Q614-I646 VanDerWaalsContact NE2-CG2 3.33Å; T620-I646 HydrophobicContact CG2-CB 4.38Å; T620-I646 HydrophobicContact CG2-CD1 4.42Å; T620-I646 HydrophobicContact CG2-CG2 3.82Å; H623-I646 PolarHBondContact CE1-O 3.39Å; H623-I646 VanDerWaalsContact CE1-O 3.23Å; A643-I646 HydrophobicContact CB-CD1 3.71Å; A643-I646 HydrophobicContact CB-CG1 3.85Å
647	A	96.6	Very high	94.8	Very high	41 Å²	41	50.5 Å²	50.5	34%	0.339	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-104.8	147.1	175.8	0	0	0	0	0	112.2	Q614 D645 E652	Q614-A647 PolarHBondContact NE2-O 2.74Å; Q614-A647 VanDerWaalsContact NE2-O 3.14Å; D645-A647 PolarHBondContact O-N 2.74Å; A647-E652 CarbonylContact C-O 3.46Å; A647-E652 VanDerWaalsContact CA-O 3.23Å; A647-E652 WeakPolarHBondContact CA-O 3.39Å
648	N	95.9	Very high	94.9	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.08	29%	0.285	C	S	.	.			trans	-78.3	-176.9	172.9	72.2	8.9	0	0	0	112.5	G618 N619 N650 G651 E652	G618-N648 WeakPolarHBondContact O-CA 3.31Å; N619-N648 WeakPolarHBondContact OD1-CB 3.35Å; N619-N648 PolarHBondContact OD1-ND2 2.67Å; N648-N650 PolarHBondContact O-N 2.67Å; N648-N650 VanDerWaalsContact O-N 3.16Å; N648-N650 WeakPolarHBondContact OD1-CA 3.48Å; N648-N650 VanDerWaalsContact OD1-CB 3.31Å; N648-N650 WeakPolarHBondContact OD1-CB 3.04Å; N648-N650 PolarHBondContact OD1-N 3.02Å; N648-G651 PolarHBondContact O-N 2.74Å; N648-G651 PolarHBondContact OD1-N 3.45Å; N648-E652 PolarHBondContact N-O 2.55Å; N648-E652 PolarHBondContact ND2-OE2 3.46Å; N648-E652 PolarHBondContact OD1-N 3.46Å; N648-E652 VanDerWaalsContact OD1-N 3.07Å; N648-E652 PolarHBondContact OD1-O 3.34Å
649	Q	94.6	Very high	95	Very high	146 Å²	146	55.2 Å²	55.2	68%	0.682	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	178.1	-80.7	-164.7	23	0	0	114.6	E616 W617 G651	E616-Q649 PolarHBondContact O-NE2 2.94Å; W617-Q649 WeakPolarHBondContact O-CB 3.3Å; W617-Q649 WeakPolarHBondContact O-CG 3.16Å; W617-Q649 PolarHBondContact O-N 3.06Å; Q649-G651 VanDerWaalsContact C-N 3.27Å
650	N	93.8	Very high	95.3	Very high	128 Å²	128	59.4 Å²	59.4	68%	0.684	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.3	175.3	-58.7	-29.4	0	0	0	112.4	N648 E652	N648-N650 PolarHBondContact O-N 2.67Å; N648-N650 VanDerWaalsContact O-N 3.16Å; N648-N650 WeakPolarHBondContact OD1-CA 3.48Å; N648-N650 VanDerWaalsContact OD1-CB 3.31Å; N648-N650 WeakPolarHBondContact OD1-CB 3.04Å; N648-N650 PolarHBondContact OD1-N 3.02Å; N650-E652 HydrophobicContact CB-CG 3.81Å; N650-E652 WeakPolarHBondContact CB-OE2 3.25Å; N650-E652 PolarHBondContact ND2-OE2 3.45Å
651	G	95.3	Very high	95.5	Very high	55 Å²	55	62.1 Å²	62.1	57%	0.567	33%	0.331	S	S	*	.	S	Bend	trans	81.1	15.7	-169.7	0	0	0	0	0	113.7	N648 Q649	N648-G651 PolarHBondContact O-N 2.74Å; N648-G651 PolarHBondContact OD1-N 3.45Å; Q649-G651 VanDerWaalsContact C-N 3.27Å
652	E	97.1	Very high	95.7	Very high	35 Å²	35	63.4 Å²	63.4	16%	0.164	33%	0.331	C	S	.	.			trans	-90.8	135.6	176.8	-55.7	164.9	127	0	0	109.6	H623 A647 N648 N650 D656 V657 Q660	H623-E652 PolarHBondContact NE2-O 3.4Å; A647-E652 CarbonylContact C-O 3.46Å; A647-E652 VanDerWaalsContact CA-O 3.23Å; A647-E652 WeakPolarHBondContact CA-O 3.39Å; N648-E652 PolarHBondContact N-O 2.55Å; N648-E652 PolarHBondContact ND2-OE2 3.46Å; N648-E652 PolarHBondContact OD1-N 3.46Å; N648-E652 VanDerWaalsContact OD1-N 3.07Å; N648-E652 PolarHBondContact OD1-O 3.34Å; N650-E652 HydrophobicContact CB-CG 3.81Å; N650-E652 WeakPolarHBondContact CB-OE2 3.25Å; N650-E652 PolarHBondContact ND2-OE2 3.45Å; E652-D656 HydrophobicContact CB-CB 4.31Å; E652-V657 HydrophobicContact CB-CG2 3.87Å; E652-Q660 PolarHBondContact OE1-NE2 2.87Å
653	T	97.5	Very high	95.6	Very high	27 Å²	27	63.6 Å²	63.6	17%	0.166	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-83	167.6	163.7	69.3	0	0	0	0	110.6	L655 D656 V657	T653-L655 PolarHBondContact O-N 3.48Å; T653-L655 VanDerWaalsContact O-N 3.14Å; T653-L655 PolarHBondContact OG1-N 3.27Å; T653-D656 WeakPolarHBondContact CB-OD2 3.28Å; T653-D656 PolarHBondContact N-OD2 2.94Å; T653-D656 PolarHBondContact O-N 3.05Å; T653-D656 PolarHBondContact OG1-N 3.29Å; T653-D656 PolarHBondContact OG1-OD2 3.36Å; T653-V657 PolarHBondContact O-N 3.24Å
654	A	97.1	Very high	95.6	Very high	1 Å²	1	66 Å²	66	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-54.3	-33.8	172.7	0	0	0	0	0	112.8	L622 H623 C626 A658 L670	L622-A654 HydrophobicContact CB-CB 3.66Å; H623-A654 PolarHBondContact NE2-N 3.26Å; C626-A654 PolarHBondContact SG-O 3.3Å; A654-A658 WeakPolarHBondContact O-CB 3.39Å; A654-A658 PolarHBondContact O-N 3.33Å; A654-L670 HydrophobicContact CB-CD1 4.12Å; A654-L670 HydrophobicContact CB-CD2 4.48Å
655	L	97.1	Very high	95.4	Very high	27 Å²	27	69.6 Å²	69.6	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-70.4	-35.6	176.6	176.2	58.6	0	0	0	112.4	T653 A658 R659 E667 L670 V671	T653-L655 PolarHBondContact O-N 3.48Å; T653-L655 VanDerWaalsContact O-N 3.14Å; T653-L655 PolarHBondContact OG1-N 3.27Å; L655-A658 PolarHBondContact O-N 3Å; L655-R659 WeakPolarHBondContact O-CG 3.39Å; L655-R659 PolarHBondContact O-N 3.15Å; L655-E667 HydrophobicContact CD1-CB 4.38Å; L655-E667 HydrophobicContact CD1-CG 3.94Å; L655-L670 HydrophobicContact CB-CB 4.31Å; L655-L670 HydrophobicContact CB-CD1 4.4Å; L655-L670 HydrophobicContact CD1-CB 3.97Å; L655-V671 HydrophobicContact CD1-CG2 3.87Å; L655-V671 HydrophobicContact CD2-CG2 4.29Å
656	D	97.4	Very high	95.4	Very high	65 Å²	65	63.7 Å²	63.7	35%	0.348	33%	0.325	S	S	.	.	H	α-helix	trans	-72	-38	176.4	-56.1	-54.7	0	0	0	111.2	E652 T653 R659 Q660	E652-D656 HydrophobicContact CB-CB 4.31Å; T653-D656 WeakPolarHBondContact CB-OD2 3.28Å; T653-D656 PolarHBondContact N-OD2 2.94Å; T653-D656 PolarHBondContact O-N 3.05Å; T653-D656 PolarHBondContact OG1-N 3.29Å; T653-D656 PolarHBondContact OG1-OD2 3.36Å; D656-R659 WeakPolarHBondContact O-CB 3.35Å; D656-R659 PolarHBondContact O-N 3.46Å; D656-Q660 WeakPolarHBondContact O-CB 3.24Å; D656-Q660 PolarHBondContact O-N 3.07Å
657	V	96.9	Very high	95.4	Very high	7 Å²	7	64.5 Å²	64.5	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-44.9	171.1	177	0	0	0	0	111.2	C626 I627 E652 T653 R659 Q660 L661	C626-V657 HydrophobicContact CB-CB 4.34Å; C626-V657 HydrophobicContact CB-CG1 3.95Å; I627-V657 HydrophobicContact CG1-CG1 3.82Å; E652-V657 HydrophobicContact CB-CG2 3.87Å; T653-V657 PolarHBondContact O-N 3.24Å; V657-R659 VanDerWaalsContact C-N 3.32Å; V657-R659 PolarHBondContact O-N 3Å; V657-Q660 PolarHBondContact O-N 3.46Å; V657-L661 HydrophobicContact CG1-CD1 3.83Å; V657-L661 HydrophobicContact CG1-CG 4.41Å; V657-L661 WeakPolarHBondContact O-CB 3.24Å; V657-L661 WeakPolarHBondContact O-CG 3.49Å; V657-L661 PolarHBondContact O-N 3.11Å
658	A	97.4	Very high	95.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-43.5	175.5	0	0	0	0	0	112.2	C626 A654 L655 R662 N663 C666 E667 L670	C626-A658 HydrophobicContact CB-CB 4.19Å; A654-A658 WeakPolarHBondContact O-CB 3.39Å; A654-A658 PolarHBondContact O-N 3.33Å; L655-A658 PolarHBondContact O-N 3Å; A658-R662 WeakPolarHBondContact O-CA 3.34Å; A658-R662 PolarHBondContact O-N 3.42Å; A658-N663 PolarHBondContact O-N 2.96Å; A658-C666 HydrophobicContact CB-CB 4.17Å; A658-E667 HydrophobicContact CB-CB 4.31Å; A658-L670 HydrophobicContact CB-CD1 4.42Å
659	R	96.9	Very high	95.1	Very high	108 Å²	108	68 Å²	68	41%	0.408	34%	0.339	S	S	.	.	H	α-helix	trans	-64.9	-45.3	175.8	-77.5	168.2	171.8	148.8	9.3	113.2	L655 D656 V657 L661 R662 E667	L655-R659 WeakPolarHBondContact O-CG 3.39Å; L655-R659 PolarHBondContact O-N 3.15Å; D656-R659 WeakPolarHBondContact O-CB 3.35Å; D656-R659 PolarHBondContact O-N 3.46Å; V657-R659 VanDerWaalsContact C-N 3.32Å; V657-R659 PolarHBondContact O-N 3Å; R659-L661 VanDerWaalsContact C-N 3.33Å; R659-L661 PolarHBondContact O-N 3.49Å; R659-R662 PolarHBondContact O-N 3.29Å; R659-R662 VanDerWaalsContact O-N 3.12Å; R659-E667 VanDerWaalsContact CG-CD 3.47Å; R659-E667 HydrophobicContact CG-CG 4.39Å; R659-E667 WeakPolarHBondContact CG-OE1 3.49Å; R659-E667 IonicContact CZ-OE1 2.64Å; R659-E667 IonicContact NE-OE1 3.55Å; R659-E667 PolarHBondContact NE-OE1 3Å; R659-E667 IonicContact NH2-OE1 2.56Å; R659-E667 PolarHBondContact NH2-OE1 3.2Å
660	Q	96.1	Very high	95.1	Very high	132 Å²	132	61.1 Å²	61.1	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-42.8	179.6	178.2	160.6	-106.7	0	0	111.5	E652 D656 V657 R662	E652-Q660 PolarHBondContact OE1-NE2 2.87Å; D656-Q660 WeakPolarHBondContact O-CB 3.24Å; D656-Q660 PolarHBondContact O-N 3.07Å; V657-Q660 PolarHBondContact O-N 3.46Å; Q660-R662 VanDerWaalsContact C-N 3.31Å
661	L	94.6	Very high	95.1	Very high	87 Å²	87	57.2 Å²	57.2	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-80.9	-8.7	176.4	-60.3	177	0	0	0	113.4	C626 V657 R659 N663	C626-L661 WeakPolarHBondContact O-CD1 3.32Å; V657-L661 HydrophobicContact CG1-CD1 3.83Å; V657-L661 HydrophobicContact CG1-CG 4.41Å; V657-L661 WeakPolarHBondContact O-CB 3.24Å; V657-L661 WeakPolarHBondContact O-CG 3.49Å; V657-L661 PolarHBondContact O-N 3.11Å; R659-L661 VanDerWaalsContact C-N 3.33Å; R659-L661 PolarHBondContact O-N 3.49Å; L661-N663 VanDerWaalsContact C-N 3.27Å; L661-N663 PolarHBondContact O-N 3.44Å
662	R	93.1	Very high	94.9	Very high	212 Å²	212	58.6 Å²	58.6	80%	0.8	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	30.2	-177.6	-52.2	178.1	175.8	-130.8	-4.5	114.2	A658 R659 Q660 T664	A658-R662 WeakPolarHBondContact O-CA 3.34Å; A658-R662 PolarHBondContact O-N 3.42Å; R659-R662 PolarHBondContact O-N 3.29Å; R659-R662 VanDerWaalsContact O-N 3.12Å; Q660-R662 VanDerWaalsContact C-N 3.31Å; R662-T664 PolarHBondContact O-N 3.21Å
663	N	92.3	Very high	94.6	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	28%	0.282	C	S	.	.			trans	-78.2	85.2	176.9	-179.3	-16.3	0	0	0	109.5	C626 A658 L661 Q665 C666 E667	C626-N663 PolarHBondContact O-ND2 2.91Å; A658-N663 PolarHBondContact O-N 2.96Å; L661-N663 VanDerWaalsContact C-N 3.27Å; L661-N663 PolarHBondContact O-N 3.44Å; N663-Q665 VanDerWaalsContact C-N 3.32Å; N663-Q665 PolarHBondContact O-N 3.1Å; N663-C666 HydrophobicContact CB-CB 4.32Å; N663-C666 VanDerWaalsContact CG-SG 3.51Å; N663-C666 PolarHBondContact ND2-SG 2.98Å; N663-C666 PolarHBondContact O-N 3.35Å; N663-C666 WeakPolarHBondContact OD1-CB 3.3Å; N663-C666 PolarHBondContact OD1-N 3.46Å; N663-C666 VanDerWaalsContact OD1-N 3.16Å; N663-C666 PolarHBondContact OD1-SG 2.85Å; N663-E667 PolarHBondContact O-N 3.01Å
664	T	92.5	Very high	94.2	Very high	82 Å²	82	60.2 Å²	60.2	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-36.1	-171.2	62.3	0	0	0	0	113	R662 C666 E667 E668	R662-T664 PolarHBondContact O-N 3.21Å; T664-C666 VanDerWaalsContact C-N 3.34Å; T664-C666 PolarHBondContact O-N 3.28Å; T664-E667 PolarHBondContact O-N 3.32Å; T664-E668 WeakPolarHBondContact O-CB 3.34Å; T664-E668 VanDerWaalsContact O-CG 3.29Å; T664-E668 WeakPolarHBondContact O-CG 3.29Å; T664-E668 PolarHBondContact O-N 3.01Å
665	Q	91.3	Very high	93.9	Very high	116 Å²	116	65.4 Å²	65.4	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-39.4	178.3	-60.8	-172	30.9	0	0	111.6	P631 N663 A669	P631-Q665 HydrophobicContact CB-CB 3.91Å; P631-Q665 HydrophobicContact CG-CB 4.5Å; N663-Q665 VanDerWaalsContact C-N 3.32Å; N663-Q665 PolarHBondContact O-N 3.1Å; Q665-A669 WeakPolarHBondContact O-CB 3.29Å; Q665-A669 PolarHBondContact O-N 3.42Å
666	C	93.8	Very high	93.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-73.8	-38.7	176.1	-66.2	0	0	0	0	112.2	L634 A658 N663 T664 L670	L634-C666 VanDerWaalsContact CD2-CA 3.45Å; L634-C666 HydrophobicContact CD2-CB 3.58Å; A658-C666 HydrophobicContact CB-CB 4.17Å; N663-C666 HydrophobicContact CB-CB 4.32Å; N663-C666 VanDerWaalsContact CG-SG 3.51Å; N663-C666 PolarHBondContact ND2-SG 2.98Å; N663-C666 PolarHBondContact O-N 3.35Å; N663-C666 WeakPolarHBondContact OD1-CB 3.3Å; N663-C666 PolarHBondContact OD1-N 3.46Å; N663-C666 VanDerWaalsContact OD1-N 3.16Å; N663-C666 PolarHBondContact OD1-SG 2.85Å; T664-C666 VanDerWaalsContact C-N 3.34Å; T664-C666 PolarHBondContact O-N 3.28Å; C666-L670 WeakPolarHBondContact O-CB 3.43Å; C666-L670 WeakPolarHBondContact O-CG 3.32Å; C666-L670 PolarHBondContact O-N 2.86Å
667	E	95.4	Very high	92.8	Very high	56 Å²	56	70.6 Å²	70.6	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-48.7	172.4	171.9	163.5	-155.3	0	0	111.6	L655 A658 R659 N663 T664 A669 L670 V671	L655-E667 HydrophobicContact CD1-CB 4.38Å; L655-E667 HydrophobicContact CD1-CG 3.94Å; A658-E667 HydrophobicContact CB-CB 4.31Å; R659-E667 VanDerWaalsContact CG-CD 3.47Å; R659-E667 HydrophobicContact CG-CG 4.39Å; R659-E667 WeakPolarHBondContact CG-OE1 3.49Å; R659-E667 IonicContact CZ-OE1 2.64Å; R659-E667 IonicContact NE-OE1 3.55Å; R659-E667 PolarHBondContact NE-OE1 3Å; R659-E667 IonicContact NH2-OE1 2.56Å; R659-E667 PolarHBondContact NH2-OE1 3.2Å; N663-E667 PolarHBondContact O-N 3.01Å; T664-E667 PolarHBondContact O-N 3.32Å; E667-A669 PolarHBondContact O-N 3.36Å; E667-L670 PolarHBondContact O-N 2.89Å; E667-V671 HydrophobicContact CG-CG2 4.15Å; E667-V671 WeakPolarHBondContact O-CB 3.5Å; E667-V671 VanDerWaalsContact O-CG2 3.28Å; E667-V671 WeakPolarHBondContact O-CG2 3.38Å; E667-V671 PolarHBondContact O-N 3.35Å
668	E	93.9	Very high	92.3	Very high	116 Å²	116	72.1 Å²	72.1	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-42.9	-179.5	-76.2	172.7	-151.9	0	0	112.1	T664 Q672	T664-E668 WeakPolarHBondContact O-CB 3.34Å; T664-E668 VanDerWaalsContact O-CG 3.29Å; T664-E668 WeakPolarHBondContact O-CG 3.29Å; T664-E668 PolarHBondContact O-N 3.01Å; E668-Q672 WeakPolarHBondContact O-CB 3.42Å; E668-Q672 VanDerWaalsContact O-CG 3.24Å; E668-Q672 WeakPolarHBondContact O-CG 3.39Å; E668-Q672 PolarHBondContact O-N 2.79Å; E668-Q672 PolarHBondContact O-NE2 3.01Å
669	A	92.4	Very high	91.4	Very high	13 Å²	13	76.2 Å²	76.2	11%	0.107	39%	0.391	C	S	.	.	H	α-helix	trans	-66.8	-43.9	177.3	0	0	0	0	0	112.6	L634 L638 Q665 E667 Q672 A673 F678	L634-A669 HydrophobicContact CD2-CB 3.86Å; L638-A669 HydrophobicContact CD1-CB 3.95Å; Q665-A669 WeakPolarHBondContact O-CB 3.29Å; Q665-A669 PolarHBondContact O-N 3.42Å; E667-A669 PolarHBondContact O-N 3.36Å; A669-Q672 PolarHBondContact O-N 3.3Å; A669-A673 PolarHBondContact O-N 3.31Å; A669-F678 HydrophobicContact CB-CE2 4.31Å
670	L	94.9	Very high	90.2	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-67.3	-38	177.8	-80.3	160.1	0	0	0	112.4	L634 L638 T644 A654 L655 A658 C666 E667 A673 A674	L634-L670 HydrophobicContact CD1-CD1 4.32Å; L634-L670 HydrophobicContact CD1-CD2 4.44Å; L634-L670 HydrophobicContact CD1-CG 4.29Å; L634-L670 HydrophobicContact CD2-CD1 4.25Å; L634-L670 HydrophobicContact CD2-CG 4.14Å; L638-L670 HydrophobicContact CD2-CD2 4.14Å; T644-L670 HydrophobicContact CG2-CD2 4.07Å; A654-L670 HydrophobicContact CB-CD1 4.12Å; A654-L670 HydrophobicContact CB-CD2 4.48Å; L655-L670 HydrophobicContact CB-CB 4.31Å; L655-L670 HydrophobicContact CB-CD1 4.4Å; L655-L670 HydrophobicContact CD1-CB 3.97Å; A658-L670 HydrophobicContact CB-CD1 4.42Å; C666-L670 WeakPolarHBondContact O-CB 3.43Å; C666-L670 WeakPolarHBondContact O-CG 3.32Å; C666-L670 PolarHBondContact O-N 2.86Å; E667-L670 PolarHBondContact O-N 2.89Å; L670-A673 PolarHBondContact O-N 3.19Å; L670-A674 WeakPolarHBondContact O-CB 3.38Å; L670-A674 PolarHBondContact O-N 2.65Å
671	V	94.5	Very high	89.2	Confident	45 Å²	45	71.9 Å²	71.9	27%	0.273	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-45.1	173.2	170.3	0	0	0	0	110.7	L655 E667 A673 A674 E675	L655-V671 HydrophobicContact CD1-CG2 3.87Å; L655-V671 HydrophobicContact CD2-CG2 4.29Å; E667-V671 HydrophobicContact CG-CG2 4.15Å; E667-V671 WeakPolarHBondContact O-CB 3.5Å; E667-V671 VanDerWaalsContact O-CG2 3.28Å; E667-V671 WeakPolarHBondContact O-CG2 3.38Å; E667-V671 PolarHBondContact O-N 3.35Å; V671-A673 VanDerWaalsContact C-N 3.28Å; V671-A673 PolarHBondContact O-N 3.11Å; V671-A674 PolarHBondContact O-N 3.45Å; V671-E675 HydrophobicContact CG1-CG 4.37Å; V671-E675 WeakPolarHBondContact O-CB 3.45Å; V671-E675 WeakPolarHBondContact O-CG 3.5Å; V671-E675 PolarHBondContact O-N 3.45Å
672	Q	90.9	Very high	88.7	Confident	84 Å²	84	68.4 Å²	68.4	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-36.5	175.9	-74	173.1	44.5	0	0	112.6	E668 A669 G676 K677 F678	E668-Q672 WeakPolarHBondContact O-CB 3.42Å; E668-Q672 VanDerWaalsContact O-CG 3.24Å; E668-Q672 WeakPolarHBondContact O-CG 3.39Å; E668-Q672 PolarHBondContact O-N 2.79Å; E668-Q672 PolarHBondContact O-NE2 3.01Å; A669-Q672 PolarHBondContact O-N 3.3Å; Q672-G676 PolarHBondContact O-N 2.93Å; Q672-K677 PolarHBondContact O-N 3.35Å; Q672-F678 HydrophobicContact CB-CB 4.38Å; Q672-F678 HydrophobicContact CB-CD2 4.38Å; Q672-F678 PolarHBondContact O-N 2.96Å
673	A	91.1	Very high	88.4	Confident	27 Å²	27	61.2 Å²	61.2	22%	0.223	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-47.7	175	0	0	0	0	0	112	L638 T644 A669 L670 V671 E675 G676 F678	L638-A673 HydrophobicContact CD1-CB 4.12Å; L638-A673 HydrophobicContact CD2-CB 3.77Å; L638-A673 HydrophobicContact CG-CB 4.43Å; T644-A673 HydrophobicContact CG2-CB 4.48Å; A669-A673 PolarHBondContact O-N 3.31Å; L670-A673 PolarHBondContact O-N 3.19Å; V671-A673 VanDerWaalsContact C-N 3.28Å; V671-A673 PolarHBondContact O-N 3.11Å; A673-E675 VanDerWaalsContact C-N 3.27Å; A673-E675 PolarHBondContact O-N 3.12Å; A673-G676 PolarHBondContact O-N 3.2Å; A673-F678 HydrophobicContact CB-CB 4.2Å; A673-F678 HydrophobicContact CB-CG 4.5Å
674	A	89.1	Confident	88.2	Confident	69 Å²	69	60.9 Å²	60.9	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-62.7	-31	177.1	0	0	0	0	0	113.1	L670 V671 G676	L670-A674 WeakPolarHBondContact O-CB 3.38Å; L670-A674 PolarHBondContact O-N 2.65Å; V671-A674 PolarHBondContact O-N 3.45Å; A674-G676 VanDerWaalsContact C-N 3.29Å
675	E	90.1	Very high	87.8	Confident	110 Å²	110	62.8 Å²	62.8	51%	0.514	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.1	172.8	-70	-166.6	121.2	0	0	114.2	V671 A673 K677	V671-E675 HydrophobicContact CG1-CG 4.37Å; V671-E675 WeakPolarHBondContact O-CB 3.45Å; V671-E675 WeakPolarHBondContact O-CG 3.5Å; V671-E675 PolarHBondContact O-N 3.45Å; A673-E675 VanDerWaalsContact C-N 3.27Å; A673-E675 PolarHBondContact O-N 3.12Å; E675-K677 VanDerWaalsContact C-N 3.25Å; E675-K677 HydrophobicContact CB-CD 4Å; E675-K677 HydrophobicContact CB-CG 4.05Å; E675-K677 PolarHBondContact O-N 2.67Å; E675-K677 IonicContact OE1-NZ 3.46Å; E675-K677 PolarHBondContact OE1-NZ 3.32Å; E675-K677 WeakPolarHBondContact OE2-CD 3.33Å; E675-K677 WeakPolarHBondContact OE2-CE 3.5Å; E675-K677 IonicContact OE2-NZ 2.68Å; E675-K677 PolarHBondContact OE2-NZ 3.28Å
676	G	85.9	Confident	87.7	Confident	69 Å²	69	58.5 Å²	58.5	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	20.2	-176.1	0	0	0	0	0	114.4	Q672 A673 A674	Q672-G676 PolarHBondContact O-N 2.93Å; A673-G676 PolarHBondContact O-N 3.2Å; A674-G676 VanDerWaalsContact C-N 3.29Å
677	K	86.4	Confident	87.3	Confident	133 Å²	133	63.9 Å²	63.9	58%	0.578	35%	0.345	S	S	*	.			trans	-104.2	-7.2	-176.4	-62	176	-163.4	158.6	0	113.9	Q672 E675 N679	Q672-K677 PolarHBondContact O-N 3.35Å; E675-K677 VanDerWaalsContact C-N 3.25Å; E675-K677 HydrophobicContact CB-CD 4Å; E675-K677 HydrophobicContact CB-CG 4.05Å; E675-K677 PolarHBondContact O-N 2.67Å; E675-K677 IonicContact OE1-NZ 3.46Å; E675-K677 PolarHBondContact OE1-NZ 3.32Å; E675-K677 WeakPolarHBondContact OE2-CD 3.33Å; E675-K677 WeakPolarHBondContact OE2-CE 3.5Å; E675-K677 IonicContact OE2-NZ 2.68Å; E675-K677 PolarHBondContact OE2-NZ 3.28Å; K677-N679 PolarHBondContact O-N 3.38Å
678	F	85.1	Confident	86.8	Confident	38 Å²	38	62.1 Å²	62.1	17%	0.167	34%	0.336	C	S	.	.			trans	-59.6	121.9	179.4	-170.4	-94.1	0	0	0	111.2	K635 L638 A669 Q672 A673 I682	K635-F678 HydrophobicContact CB-CZ 4.39Å; L638-F678 HydrophobicContact CB-CD1 4.2Å; L638-F678 HydrophobicContact CB-CD2 4.45Å; L638-F678 HydrophobicContact CB-CE1 3.72Å; L638-F678 HydrophobicContact CB-CE2 4.01Å; L638-F678 HydrophobicContact CB-CZ 3.61Å; L638-F678 HydrophobicContact CD1-CD2 4.18Å; L638-F678 HydrophobicContact CD1-CE2 3.79Å; L638-F678 HydrophobicContact CD1-CZ 4.22Å; A669-F678 HydrophobicContact CB-CE2 4.31Å; Q672-F678 HydrophobicContact CB-CB 4.38Å; Q672-F678 HydrophobicContact CB-CD2 4.38Å; Q672-F678 PolarHBondContact O-N 2.96Å; A673-F678 HydrophobicContact CB-CB 4.2Å; A673-F678 HydrophobicContact CB-CG 4.5Å; F678-I682 HydrophobicContact CE1-CG2 3.56Å; F678-I682 HydrophobicContact CZ-CG2 3.56Å
679	N	79.8	Confident	86.2	Confident	87 Å²	87	60.9 Å²	60.9	47%	0.465	34%	0.34	S	S	.	.			trans	-72.9	125.7	-179.4	179.2	12.1	0	0	0	110.1	K677 H681 I682	K677-N679 PolarHBondContact O-N 3.38Å; N679-H681 VanDerWaalsContact C-N 3.27Å; N679-H681 PolarHBondContact ND2-O 3.26Å; N679-H681 VanDerWaalsContact ND2-O 3.13Å; N679-H681 PolarHBondContact O-N 2.98Å; N679-H681 PolarHBondContact OD1-N 3.49Å; N679-I682 WeakPolarHBondContact O-CG2 3.48Å
680	P	69.9	Low	85.6	Confident	77 Å²	77	63 Å²	63	50%	0.5	35%	0.349	S	S	.	.	S	Bend	trans	-66.3	-27.2	175.5	27.1	-35.6	0	0	0	113.4	I682	P680-I682 VanDerWaalsContact C-N 3.25Å; P680-I682 PolarHBondContact O-N 2.95Å
681	H	76.4	Confident	83.8	Confident	72 Å²	72	71.5 Å²	71.5	33%	0.333	38%	0.381	S	S	.	.	S	Bend	trans	-82.2	71.4	175.5	-59.4	-62.8	0	0	0	109.9	K479 E484 N679	K479-H681 PolarHBondContact O-CE1 3.49Å; K479-H681 PolarHBondContact O-ND1 2.96Å; E484-H681 IonicContact OE1-CE1 3.16Å; E484-H681 IonicContact OE1-CG 3.19Å; E484-H681 IonicContact OE1-ND1 2.82Å; E484-H681 PolarHBondContact OE1-ND1 3.4Å; N679-H681 VanDerWaalsContact C-N 3.27Å; N679-H681 PolarHBondContact ND2-O 3.26Å; N679-H681 VanDerWaalsContact ND2-O 3.13Å; N679-H681 PolarHBondContact O-N 2.98Å; N679-H681 PolarHBondContact OD1-N 3.49Å
682	I	83.6	Confident	81.3	Confident	13 Å²	13	77.6 Å²	77.6	7%	0.067	41%	0.412	C	S	.	.			trans	-79.8	146.1	-179.3	60.2	-179.4	0	0	0	111.7	S483 K635 L636 R639 F678 N679 P680 V684	S483-I682 PolarHBondContact N-O 3.31Å; S483-I682 WeakPolarHBondContact OG-CG1 2.95Å; S483-I682 PolarHBondContact OG-O 3.3Å; K635-I682 VanDerWaalsContact C-CD1 3.41Å; K635-I682 HydrophobicContact CB-CD1 3.86Å; K635-I682 VanDerWaalsContact O-CD1 3.25Å; K635-I682 WeakPolarHBondContact O-CD1 3.32Å; L636-I682 HydrophobicContact CD2-CD1 4.15Å; R639-I682 HydrophobicContact CB-CD1 3.83Å; F678-I682 HydrophobicContact CE1-CG2 3.56Å; F678-I682 HydrophobicContact CZ-CG2 3.56Å; N679-I682 WeakPolarHBondContact O-CG2 3.48Å; P680-I682 VanDerWaalsContact C-N 3.25Å; P680-I682 PolarHBondContact O-N 2.95Å; I682-V684 HydrophobicContact CD1-CG1 4.47Å
683	H	86	Confident	78.9	Confident	61 Å²	61	79.9 Å²	79.9	28%	0.282	42%	0.422	S	S	.	.			trans	-104.6	127.9	169.6	-65	-82.3	0	0	0	110	T482 K635	T482-H683 WeakPolarHBondContact OG1-CA 3.2Å; K635-H683 PolarHBondContact NZ-O 3Å; K635-H683 VanDerWaalsContact NZ-O 3.1Å
684	V	88.4	Confident	76.2	Confident	8 Å²	8	87.9 Å²	87.9	5%	0.048	46%	0.455	C	S	.	.			trans	-111.4	138.1	-178.8	-68	0	0	0	0	111.7	T482 L486 L598 E632 L636 I682 Y686 W688	T482-V684 PolarHBondContact OG1-N 3.44Å; T482-V684 VanDerWaalsContact OG1-N 3.14Å; L486-V684 HydrophobicContact CD2-CG2 4.47Å; L598-V684 HydrophobicContact CD1-CB 4.3Å; E632-V684 VanDerWaalsContact OE2-CA 3.27Å; E632-V684 WeakPolarHBondContact OE2-CA 3.49Å; L636-V684 HydrophobicContact CD2-CG1 4.01Å; L636-V684 HydrophobicContact CG-CG1 4.13Å; I682-V684 HydrophobicContact CD1-CG1 4.47Å; V684-Y686 PolarHBondContact O-N 3.44Å; V684-W688 HydrophobicContact CG2-CZ2 4.29Å
685	E	84.9	Confident	73.5	Confident	123 Å²	123	93.3 Å²	93.3	58%	0.575	47%	0.471	S	S	*	.			trans	-80.6	102.6	172.6	-65.6	-172.2	-176.3	0	0	110	L598 E632	L598-E685 WeakPolarHBondContact CD1-O 3.33Å; E632-E685 HydrophobicContact CG-CB 4.23Å; E632-E685 PolarHBondContact OE2-N 3.49Å
686	Y	88.4	Confident	70.8	Confident	25 Å²	25	95.1 Å²	95.1	10%	0.098	48%	0.484	C	S	.	.			trans	-135	149.5	-175.1	-178.2	-101.9	0	0	0	110.8	L486 N490 Q595 T596 L598 H599 V684 W688	L486-Y686 HydrophobicContact CD1-CD1 3.67Å; L486-Y686 HydrophobicContact CD1-CD2 3.69Å; L486-Y686 HydrophobicContact CD1-CE1 3.81Å; L486-Y686 HydrophobicContact CD1-CE2 3.8Å; L486-Y686 HydrophobicContact CD1-CG 3.62Å; N490-Y686 PolarHBondContact ND2-OH 2.97Å; N490-Y686 PolarHBondContact OD1-OH 3.33Å; Q595-Y686 WeakPolarHBondContact O-CD2 3.17Å; Q595-Y686 WeakPolarHBondContact O-CE2 3.32Å; T596-Y686 WeakPolarHBondContact O-CE2 3.5Å; T596-Y686 PolarHBondContact O-OH 2.81Å; L598-Y686 HydrophobicContact CB-CD2 3.94Å; L598-Y686 HydrophobicContact CB-CE2 4.4Å; L598-Y686 HydrophobicContact CD1-CD2 4.27Å; L598-Y686 HydrophobicContact CG-CD2 4.25Å; H599-Y686 AromaticContact ND1-CE2 3.83Å; H599-Y686 AromaticContact ND1-CZ 3.74Å; H599-Y686 PolarHBondContact ND1-OH 2.9Å; V684-Y686 PolarHBondContact O-N 3.44Å; Y686-W688 VanDerWaalsContact C-N 3.27Å; Y686-W688 AromaticContact CD1-CD2 3.81Å; Y686-W688 HydrophobicContact CD1-CD2 3.81Å; Y686-W688 AromaticContact CD1-CE2 3.93Å; Y686-W688 HydrophobicContact CD1-CE3 4.03Å; Y686-W688 HydrophobicContact CD1-CG 4.17Å; Y686-W688 HydrophobicContact CD1-CH2 4.37Å; Y686-W688 HydrophobicContact CD1-CZ2 4.2Å; Y686-W688 HydrophobicContact CD1-CZ3 4.31Å; Y686-W688 HydrophobicContact CG-CZ2 4.48Å; Y686-W688 PolarHBondContact O-N 2.91Å
687	E	86.1	Confident	68	Low	113 Å²	113	100.6 Å²	100.6	53%	0.528	49%	0.491	S	S	.	.			trans	-79.5	73.1	177.5	-164	175.8	172.2	0	0	111.3	Q595 T596 S689	Q595-E687 PolarHBondContact O-N 2.92Å; T596-E687 WeakPolarHBondContact CG2-OE2 3.33Å; E687-S689 PolarHBondContact O-N 3.37Å; E687-S689 PolarHBondContact O-OG 3.46Å
688	W	85.3	Confident	65.3	Low	20 Å²	20	100.2 Å²	100.2	8%	0.076	51%	0.505	C	S	.	.			trans	-54.7	-20.1	-174.6	-67.8	100.4	0	0	0	115.5	I422 T482 L486 K489 V684 Y686 L690	I422-W688 HydrophobicContact CB-CE3 4.35Å; I422-W688 HydrophobicContact CD1-CD2 3.44Å; I422-W688 VanDerWaalsContact CD1-CD2 3.44Å; I422-W688 HydrophobicContact CD1-CE3 3.62Å; I422-W688 HydrophobicContact CD1-CG 3.98Å; I422-W688 HydrophobicContact CD1-CH2 4.2Å; I422-W688 HydrophobicContact CD1-CZ2 4.02Å; I422-W688 HydrophobicContact CD1-CZ3 4Å; I422-W688 HydrophobicContact CG1-CD2 3.78Å; I422-W688 HydrophobicContact CG1-CE3 3.63Å; I422-W688 HydrophobicContact CG1-CG 4.16Å; I422-W688 HydrophobicContact CG1-CZ3 4.24Å; I422-W688 HydrophobicContact CG2-CE3 3.71Å; I422-W688 HydrophobicContact CG2-CH2 4.46Å; I422-W688 HydrophobicContact CG2-CZ3 3.6Å; T482-W688 WeakPolarHBondContact O-CH2 3.47Å; T482-W688 WeakPolarHBondContact O-CZ2 3.35Å; L486-W688 HydrophobicContact CB-CH2 4.13Å; L486-W688 HydrophobicContact CD1-CH2 3.88Å; L486-W688 HydrophobicContact CD1-CZ2 4.38Å; L486-W688 HydrophobicContact CD1-CZ3 4.38Å; K489-W688 HydrophobicContact CB-CE3 4.21Å; K489-W688 HydrophobicContact CB-CZ3 3.79Å; K489-W688 HydrophobicContact CD-CE3 4.16Å; K489-W688 WeakPolarHBondContact CE-O 3.36Å; K489-W688 HydrophobicContact CG-CE3 3.73Å; K489-W688 HydrophobicContact CG-CZ3 3.84Å; V684-W688 HydrophobicContact CG2-CZ2 4.29Å; Y686-W688 VanDerWaalsContact C-N 3.27Å; Y686-W688 AromaticContact CD1-CD2 3.81Å; Y686-W688 HydrophobicContact CD1-CD2 3.81Å; Y686-W688 AromaticContact CD1-CE2 3.93Å; Y686-W688 HydrophobicContact CD1-CE3 4.03Å; Y686-W688 HydrophobicContact CD1-CG 4.17Å; Y686-W688 HydrophobicContact CD1-CH2 4.37Å; Y686-W688 HydrophobicContact CD1-CZ2 4.2Å; Y686-W688 HydrophobicContact CD1-CZ3 4.31Å; Y686-W688 HydrophobicContact CG-CZ2 4.48Å; Y686-W688 PolarHBondContact O-N 2.91Å; W688-L690 HydrophobicContact CB-CD1 4.41Å; W688-L690 HydrophobicContact CB-CD2 4.14Å; W688-L690 HydrophobicContact CB-CG 3.87Å; W688-L690 PolarHBondContact O-N 3.45Å
689	S	80.3	Confident	62.7	Low	89 Å²	89	105 Å²	105	62%	0.622	53%	0.533	S	S	*	.			trans	51.6	33.8	173.3	-58.8	0	0	0	0	114.1	E687	E687-S689 PolarHBondContact O-N 3.37Å; E687-S689 PolarHBondContact O-OG 3.46Å
690	L	80	Confident	60.7	Low	57 Å²	57	108.7 Å²	108.7	30%	0.298	55%	0.552	S	S	.	*			trans	-62.6	138	-175.5	-58	178.3	0	0	0	110.7	L418 A421 I422 D425 K489 W688 L692	L418-L690 HydrophobicContact CD1-CD1 3.97Å; A421-L690 HydrophobicContact CB-CD1 3.84Å; I422-L690 HydrophobicContact CG1-CD1 4.16Å; I422-L690 HydrophobicContact CG1-CD2 4.07Å; D425-L690 HydrophobicContact CB-CD2 3.95Å; K489-L690 HydrophobicContact CD-CD2 4.45Å; W688-L690 HydrophobicContact CB-CD1 4.41Å; W688-L690 HydrophobicContact CB-CD2 4.14Å; W688-L690 HydrophobicContact CB-CG 3.87Å; W688-L690 PolarHBondContact O-N 3.45Å; L690-L692 PolarHBondContact O-N 3.08Å; L690-L692 VanDerWaalsContact O-N 3.13Å
691	R	57.7	Low	59	Low	182 Å²	182	111.3 Å²	111.3	69%	0.687	56%	0.562	S	S	*	*			trans	-71.1	109.6	179.5	-61.6	-178.2	-171.9	176.3	6.1	110	E693	R691-E693 PolarHBondContact O-N 2.96Å; R691-E693 VanDerWaalsContact O-N 3.13Å
692	L	42.9	Very low	57	Low	173 Å²	173	115.2 Å²	115.2	91%	0.906	58%	0.584	S	S	*	*			trans	-72.6	98.6	162.3	-171.4	73.3	0	0	0	107.3	L690 E694	L690-L692 PolarHBondContact O-N 3.08Å; L690-L692 VanDerWaalsContact O-N 3.13Å; L692-E694 PolarHBondContact O-N 3.23Å
693	E	39.3	Very low	54.7	Low	131 Å²	131	121.4 Å²	121.4	61%	0.612	62%	0.618	S	S	*	*			trans	-64.6	121.9	-176.7	-69.6	-171.4	150	0	0	111.2	R691 M695	R691-E693 PolarHBondContact O-N 2.96Å; R691-E693 VanDerWaalsContact O-N 3.13Å; E693-M695 VanDerWaalsContact C-N 3.27Å; E693-M695 PolarHBondContact O-N 2.88Å
694	E	35.5	Very low	52.1	Low	195 Å²	195	123.8 Å²	123.8	91%	0.911	63%	0.633	S	S	*	*			trans	-66	91.2	161.3	-66.6	-179.9	129.8	0	0	106.9	L692 D696	L692-E694 PolarHBondContact O-N 3.23Å; E694-D696 PolarHBondContact O-N 3.19Å
695	M	32.4	Very low	49.6	Very low	184 Å²	184	131.8 Å²	131.8	91%	0.906	67%	0.667	S	S	*	*			trans	-70.5	103.9	-178.3	-166	174.3	71.8	0	0	109.4	E693	E693-M695 VanDerWaalsContact C-N 3.27Å; E693-M695 PolarHBondContact O-N 2.88Å
696	D	31.5	Very low	47.4	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	67%	0.674	S	S	*	*			trans	-69.6	168.2	-160.9	-154.8	4	0	0	0	114.8	E694	E694-D696 PolarHBondContact O-N 3.19Å
697	E	28.8	Very low	44.3	Very low	184 Å²	184	135 Å²	135	86%	0.86	70%	0.704	S	S	*	*			trans	-73.1	147.7	-168.9	-57.4	-176.5	133.2	0	0	113.2
698	S	29.2	Very low	42.1	Very low	126 Å²	126	134.9 Å²	134.9	88%	0.881	71%	0.713	S	S	*	*			trans	-102.9	103.9	170.7	-176.5	0	0	0	0	109
699	D	31	Very low	39.6	Very low	139 Å²	139	141 Å²	141	74%	0.743	75%	0.746	S	S	*	*			trans	-78.9	146	-178.3	-158.1	4.7	0	0	0	112.2
700	D	37.2	Very low	37.2	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	76%	0.758	S	S	*	*			trans	-161.4	121.8	170.6	-132.5	-16.4	0	0	0	109.2
701	D	34.7	Very low	34.9	Very low	132 Å²	132	153.5 Å²	153.5	71%	0.706	79%	0.786	S	S	*	*			trans	-74.1	153	-159.2	-95	-63.3	0	0	0	116.6
702	L	34.2	Very low	33.4	Very low	153 Å²	153	152.9 Å²	152.9	80%	0.801	80%	0.796	S	S	*	*				170.3	104.7	106.4	-86.5	176.6	0	0	0	115.8
703	D	35.3	Very low	32.8	Very low	143 Å²	143	155.8 Å²	155.8	77%	0.765	80%	0.795	S	S	*	*			trans	77.7	137.4	133	-112	-33.7	0	0	0	127.3
704	D	32	Very low	32.4	Very low	112 Å²	112	154.8 Å²	154.8	60%	0.599	80%	0.803	S	S	*	*			trans	77.3	81.2	149.7	-131.2	5.1	0	0	0	126.3
705	K	34.4	Very low	32.6	Very low	175 Å²	175	151.6 Å²	151.6	76%	0.761	80%	0.799	S	S	*	*			trans	59.8	160.6	131	-71.9	-178	-156.5	69.4	0	123.1
706	P	40.3	Very low	32.4	Very low	112 Å²	112	153.8 Å²	153.8	73%	0.727	80%	0.797	S	S	*	*			cis	-136.8	156.2	-27.2	35.8	-18.1	0	0	0	116.7
707	S	23.3	Very low	32.5	Very low	104 Å²	104	152.8 Å²	152.8	73%	0.727	80%	0.799	S	S	*	*			trans	20.6	152.8	139.1	-62.4	0	0	0	0	123.5
708	P	39.2	Very low	32.4	Very low	111 Å²	111	152.3 Å²	152.3	72%	0.721	80%	0.797	S	S	*	*			cis	-144	135.5	28.1	37.5	-15.7	0	0	0	120.1
709	I	31.8	Very low	32.3	Very low	148 Å²	148	151.8 Å²	151.8	76%	0.759	79%	0.793	S	S	*	*				44	115.2	122.2	-49.7	168.2	0	0	0	119.6
710	K	30.5	Very low	32.1	Very low	203 Å²	203	153.1 Å²	153.1	88%	0.883	79%	0.792	S	S	*	*				-163.9	127.9	105	-99.2	-172.8	-176.8	-171.8	0	112.3
711	K	32.4	Very low	31.7	Very low	205 Å²	205	149 Å²	149	89%	0.891	78%	0.776	S	S	*	*			trans	-110.6	158.1	166.3	-77.6	-178.6	176.1	176	0	108.6
712	D	26.3	Very low	31.3	Very low	169 Å²	169	149.9 Å²	149.9	90%	0.904	78%	0.776	S	S	*	*			trans	-143.9	139.5	155.7	-119.3	-45.7	0	0	0	109.1
713	R	29.5	Very low	30.7	Very low	234 Å²	234	148.7 Å²	148.7	88%	0.883	78%	0.78	S	S	*	*			trans	-161.1	157.5	-176.4	-164.5	-178.3	-174.4	-165.7	4.1	110.9
714	S	32.1	Very low	30.4	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	78%	0.778	S	S	*	*			trans	78.2	165.4	174.3	86.2	0	0	0	0	114
715	P	38.3	Very low	30.2	Very low	128 Å²	128	147.5 Å²	147.5	83%	0.831	79%	0.791	S	S	*	*				-115.3	156.4	53	38.8	-33.7	0	0	0	116.5
716	R	28.3	Very low	29.8	Very low	229 Å²	229	147.1 Å²	147.1	86%	0.864	80%	0.797	S	S	*	*			trans	-128.8	144.4	150.8	-173	174.9	-173.8	171.3	3.9	106.9
717	P	33.3	Very low	29.2	Very low	126 Å²	126	147.3 Å²	147.3	82%	0.818	80%	0.801	S	S	*	*			trans	-65.2	148.6	-174.6	-22.8	34.7	0	0	0	113.8
718	Q	27.4	Very low	30.4	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	80%	0.795	S	S	*	*			trans	-100.2	146.2	169.1	-66.5	179.7	-72.9	0	0	110.9
719	S	27.5	Very low	29.8	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	80%	0.797	S	S	*	*			trans	-117.5	119.7	164.2	53.4	0	0	0	0	109.8
720	F	26.7	Very low	29.6	Very low	167 Å²	167	147.1 Å²	147.1	73%	0.732	79%	0.787	S	S	*	*			trans	-147.4	143.6	179.3	-100.7	-107.5	0	0	0	108
721	C	27.7	Very low	29.5	Very low	79 Å²	79	145.4 Å²	145.4	53%	0.534	78%	0.779	S	S	.	*			cis	-172.1	172.2	-14.5	-132.3	0	0	0	0	113.3
722	H	27.5	Very low	29.2	Very low	150 Å²	150	143.2 Å²	143.2	69%	0.694	78%	0.777	S	S	*	*			trans	56.3	149.7	149.5	-56.5	-45.1	0	0	0	122.3
723	S	21.4	Very low	29.2	Very low	127 Å²	127	140.4 Å²	140.4	89%	0.888	77%	0.77	S	S	*	*			trans	-144.3	130.8	137.5	-78.5	0	0	0	0	109.1
724	S	27.8	Very low	29.1	Very low	104 Å²	104	137 Å²	137	73%	0.727	77%	0.768	S	S	*	*			trans	-110.6	151.1	-176.8	-58.2	0	0	0	0	111.1
725	S	29.1	Very low	29.8	Very low	126 Å²	126	137.6 Å²	137.6	88%	0.881	77%	0.77	S	S	*	*			trans	-58.2	140.4	-179.4	-52.7	0	0	0	0	113.4
726	L	26.4	Very low	29.3	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	77%	0.769	S	S	*	*			trans	-130.3	139.1	173.3	-74.7	176.1	0	0	0	111.2
727	S	26.3	Very low	29.3	Very low	115 Å²	115	134 Å²	134	80%	0.804	77%	0.77	S	S	*	*			trans	-176.8	162.3	135.5	57.3	0	0	0	0	110.1
728	P	49	Very low	28.9	Very low	95 Å²	95	134.8 Å²	134.8	62%	0.617	77%	0.766	S	S	*	*			cis	-129.2	151.4	-24.6	23.3	-2.9	0	0	0	113.2
729	H	27	Very low	28.8	Very low	163 Å²	163	131.3 Å²	131.3	76%	0.755	76%	0.761	S	S	*	*				171.5	144.7	107.6	-98	-74.1	0	0	0	115.3
730	D	27.2	Very low	28.8	Very low	102 Å²	102	132.9 Å²	132.9	55%	0.545	76%	0.756	S	S	.	*			trans	59	111.3	147.4	-76.8	42.7	0	0	0	124.1
731	K	27.6	Very low	28.9	Very low	166 Å²	166	134 Å²	134	72%	0.722	76%	0.755	S	S	*	*			trans	84.7	115.5	130.9	-67	168.5	177.8	130	0	121.5
732	L	27.6	Very low	29	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	75%	0.752	S	S	*	*			trans	61.9	140.1	132.7	-55.5	171	0	0	0	118.3
733	S	25.7	Very low	29	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	75%	0.75	S	S	*	*			cis	-164.3	168.3	6.6	28.6	0	0	0	0	112
734	L	26	Very low	29.3	Very low	163 Å²	163	135.2 Å²	135.2	85%	0.853	74%	0.74	S	S	*	*			trans	-80.1	-178.9	175.5	-72	95.2	0	0	0	113.1
735	P	48.5	Very low	29.3	Very low	123 Å²	123	138.1 Å²	138.1	80%	0.799	74%	0.742	S	S	*	*			cis	-133.9	-178.2	-49.2	37.7	-21.7	0	0	0	113
736	G	26.7	Very low	29.1	Very low	80 Å²	80	142 Å²	142	83%	0.825	74%	0.737	S	S	*	*			trans	-158.6	134.5	173	0	0	0	0	0	115.7
737	F	29.1	Very low	29.1	Very low	201 Å²	201	140.3 Å²	140.3	88%	0.882	73%	0.729	S	S	*	*			trans	-107.1	164.3	-166.1	-108.2	-71.4	0	0	0	114.5
738	I	25.4	Very low	29.1	Very low	143 Å²	143	139.5 Å²	139.5	73%	0.733	72%	0.723	S	S	*	*			trans	83.9	106.4	145.9	-71.5	161.4	0	0	0	121.3
739	S	24.6	Very low	28.1	Very low	102 Å²	102	146 Å²	146	71%	0.713	74%	0.737	S	S	*	*				56.9	134.2	121.9	-51.6	0	0	0	0	126.9
740	Q	26.6	Very low	28	Very low	147 Å²	147	142.9 Å²	142.9	69%	0.687	73%	0.733	S	S	*	*				85.4	132	129	-90.1	-163.8	14.6	0	0	123.8
741	R	29.1	Very low	28	Very low	191 Å²	191	142.6 Å²	142.6	72%	0.721	75%	0.745	S	S	*	*			trans	70	161.4	137.5	-77.7	-176.2	-177.4	-165.6	6.1	117.8
742	D	30.1	Very low	27.9	Very low	88 Å²	88	143.7 Å²	143.7	47%	0.471	75%	0.75	S	S	.	*			cis	-157.8	150.6	-6.6	-129.9	-27	0	0	0	109.9
743	K	28.3	Very low	27.9	Very low	149 Å²	149	141.4 Å²	141.4	65%	0.648	74%	0.743	S	S	*	*			trans	59.8	176.7	146.2	-71.5	158.9	-168.2	148.4	0	116.6
744	Q	27.6	Very low	28	Very low	145 Å²	145	142.6 Å²	142.6	68%	0.678	74%	0.741	S	S	*	*			cis	-149.8	155.1	-17.7	-123.8	159.8	9.2	0	0	106.8
745	Q	27	Very low	28.3	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	73%	0.734	S	S	*	*				152.3	166.8	82.5	-119.1	160.3	43.2	0	0	105.6
746	R	26	Very low	27.5	Very low	206 Å²	206	141.5 Å²	141.5	78%	0.777	72%	0.721	S	S	*	*			cis	-174.4	165.3	-39.4	-170.5	178.6	-165.4	-107.3	4	106.8
747	L	26.6	Very low	27.7	Very low	134 Å²	134	147.3 Å²	147.3	70%	0.702	72%	0.72	S	S	*	*			trans	77.3	125.9	172	-44.9	169.9	0	0	0	114.3
748	S	26.4	Very low	27.6	Very low	97 Å²	97	142 Å²	142	68%	0.678	71%	0.708	S	S	*	*			cis	89.1	113.2	13.1	89.3	0	0	0	0	117.9
749	Y	26.3	Very low	27.8	Very low	233 Å²	233	139.3 Å²	139.3	91%	0.914	71%	0.707	S	S	*	*			trans	-163.1	172.7	135.4	-124.9	-93.1	0	0	0	111.9
750	S	24.6	Very low	28	Very low	97 Å²	97	139.3 Å²	139.3	68%	0.678	71%	0.707	S	S	*	*			trans	-102.2	157.4	-156	56.4	0	0	0	0	118.5
751	A	27.8	Very low	28	Very low	95 Å²	95	139.2 Å²	139.2	79%	0.785	72%	0.717	S	S	*	*			trans	-157.9	152.1	148.3	0	0	0	0	0	115
752	F	27	Very low	27.9	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.833	72%	0.722	S	S	*	*			trans	-57.1	146.8	177.6	-64.1	-99.9	0	0	0	113.6
753	T	26.4	Very low	28	Very low	112 Å²	112	141.8 Å²	141.8	69%	0.687	74%	0.744	S	S	*	*			cis	83.4	115.6	35	70.4	0	0	0	0	117.8
754	N	28.1	Very low	28	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	75%	0.751	S	S	*	*			trans	-170.1	124.6	131.4	-95.2	-14.9	0	0	0	110
755	Q	32.2	Very low	28	Very low	153 Å²	153	138 Å²	138	72%	0.715	75%	0.752	S	S	*	*				91.9	148.8	63	-80.8	-159.4	11.3	0	0	112.3
756	M	32.4	Very low	28	Very low	109 Å²	109	135.5 Å²	135.5	54%	0.537	75%	0.753	S	S	.	*			cis	-162.4	167.3	-5.4	-106.3	-81.3	-178.5	0	0	106.6	S758	M756-S758 PolarHBondContact SD-OG 2.94Å; M756-S758 VanDerWaalsContact SD-OG 3.34Å
757	Y	29.6	Very low	29.6	Very low	202 Å²	202	131.3 Å²	131.3	79%	0.792	75%	0.752	S	S	*	*			cis	-133.3	172.3	12.5	-65.6	-89.1	0	0	0	108.9
758	S	27.8	Very low	29.7	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	76%	0.759	S	S	*	*			cis	81	147.4	21	-44.2	0	0	0	0	115.3	M756	M756-S758 PolarHBondContact SD-OG 2.94Å; M756-S758 VanDerWaalsContact SD-OG 3.34Å
759	A	28.3	Very low	29.9	Very low	85 Å²	85	130.6 Å²	130.6	70%	0.702	76%	0.757	S	S	*	*			cis	-152.9	147.9	-6.8	0	0	0	0	0	108
760	S	30.4	Very low	30.1	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	76%	0.757	S	S	*	*				77.7	137.6	60.8	-49.3	0	0	0	0	115.6
761	T	26.5	Very low	30.3	Very low	146 Å²	146	126.6 Å²	126.6	90%	0.896	76%	0.762	S	S	*	*			trans	-160.6	140.8	147.1	-1.9	0	0	0	0	110.9
762	D	27.3	Very low	31.3	Very low	154 Å²	154	127.8 Å²	127.8	82%	0.824	76%	0.761	S	S	*	*			trans	-110.8	-179.7	-168.7	-57	-83	0	0	0	113.7
763	L	32.1	Very low	32.6	Very low	178 Å²	178	123.8 Å²	123.8	93%	0.932	75%	0.754	S	S	*	*			trans	-112.9	147.6	175.7	-73	169.2	0	0	0	112
764	S	27.7	Very low	32.7	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	76%	0.76	S	S	*	*			trans	-164.4	149.4	158.8	-161.4	0	0	0	0	116.3
765	S	28.3	Very low	33.2	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	76%	0.761	S	S	*	*			trans	78.9	91.8	151.1	61.6	0	0	0	0	124.3
766	S	25.6	Very low	34.3	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	76%	0.757	S	S	*	*				74	174.6	117.9	-44.1	0	0	0	0	120.5
767	P	59.8	Low	34.2	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	77%	0.774	S	S	*	*				-135.6	-168.7	-102.2	35.1	-11.3	0	0	0	116.5
768	V	28.4	Very low	34.1	Very low	137 Å²	137	124 Å²	124	83%	0.83	77%	0.765	S	S	*	*			trans	131.2	135.4	146.7	172.4	0	0	0	0	118.3
769	A	31.9	Very low	34.2	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	77%	0.772	S	S	*	*			trans	80.5	116.7	153.3	0	0	0	0	0	125.4
770	D	29.9	Very low	34.2	Very low	172 Å²	172	126.8 Å²	126.8	92%	0.92	77%	0.771	S	S	*	*				55.5	134.1	129.9	-61.5	-48	0	0	0	125.7
771	G	28.8	Very low	34.1	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	78%	0.78	S	S	*	*			trans	142	99.6	150.9	0	0	0	0	0	118.8
772	P	49.7	Very low	34.1	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	77%	0.771	S	S	*	*			trans	-111.6	-170.7	170.6	42.8	-34.3	0	0	0	112.2
773	P	53	Low	34.6	Very low	105 Å²	105	126.5 Å²	126.5	68%	0.682	76%	0.764	S	S	*	*			cis	-131.4	-153.5	-24.8	20.2	6.5	0	0	0	112.1
774	L	28.9	Very low	34.4	Very low	153 Å²	153	125.5 Å²	125.5	80%	0.801	76%	0.755	S	S	*	*			trans	103.3	148.1	147.7	-63.7	-171.5	0	0	0	120.1
775	P	39	Very low	34.2	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	75%	0.754	S	S	*	*				-130.7	-109.2	-117.7	27.6	0.6	0	0	0	117.4
776	P	54.4	Low	34.1	Very low	98 Å²	98	126.3 Å²	126.3	64%	0.636	75%	0.752	S	S	*	*				-128	-179.8	-127.9	41.9	-22.7	0	0	0	115.4
777	R	30	Very low	33.9	Very low	236 Å²	236	129.7 Å²	129.7	89%	0.891	75%	0.753	S	S	*	*			trans	-150.2	126.8	150.5	-115.1	174	170.2	122.7	-3	108
778	N	28.8	Very low	32.3	Very low	113 Å²	113	131.9 Å²	131.9	60%	0.604	76%	0.757	S	S	*	*				50.8	131	52.2	-70	-34.4	0	0	0	112.5
779	Q	28.9	Very low	32.1	Very low	169 Å²	169	128.5 Å²	128.5	79%	0.79	75%	0.75	S	S	*	*			cis	-161.2	156.6	-4.6	-102.2	154.2	26.9	0	0	104.2
780	G	28.3	Very low	31.8	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	75%	0.754	S	S	*	*			cis	147.5	-161.8	9.9	0	0	0	0	0	108
781	K	27.8	Very low	31.5	Very low	205 Å²	205	129.8 Å²	129.8	89%	0.891	75%	0.749	S	S	*	*			trans	62.7	90	163.7	-69.1	-171.4	175	-175.4	0	118.5
782	A	26.9	Very low	31.5	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	74%	0.741	S	S	*	*				-39.4	169	121.1	0	0	0	0	0	112.7
783	P	38.3	Very low	30.3	Very low	104 Å²	104	133.9 Å²	133.9	68%	0.675	75%	0.746	S	S	*	*			cis	-158.5	-179.1	36.3	45.6	-23.4	0	0	0	120.8
784	H	27.6	Very low	29.1	Very low	158 Å²	158	139.4 Å²	139.4	73%	0.731	76%	0.755	S	S	*	*			trans	69.3	130.1	138.2	-81.2	-44.9	0	0	0	123.3
785	L	24.4	Very low	29	Very low	151 Å²	151	136.6 Å²	136.6	79%	0.791	75%	0.754	S	S	*	*			trans	67.2	151.2	132.5	-64.3	168	0	0	0	118.3
786	A	25.2	Very low	28.3	Very low	79 Å²	79	136.5 Å²	136.5	65%	0.653	75%	0.752	S	S	*	*			cis	-144.8	138.9	-6.7	0	0	0	0	0	107.4
787	F	22.3	Very low	27	Very low	185 Å²	185	139.5 Å²	139.5	81%	0.811	76%	0.762	S	S	*	*				73	125.8	78.4	-138.3	-103.5	0	0	0	113.9
788	L	25.7	Very low	26.8	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	76%	0.755	S	S	*	*			trans	68	136	-179.8	-59.7	163.1	0	0	0	117
789	G	25	Very low	26.7	Very low	65 Å²	65	130.4 Å²	130.4	67%	0.67	76%	0.759	S	S	*	*			cis	176.3	167.4	-7.1	0	0	0	0	0	115
790	S	24.9	Very low	26.6	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	76%	0.761	S	S	*	*			trans	58.4	108.9	161.5	-62	0	0	0	0	121
791	H	24.3	Very low	26.5	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	77%	0.772	S	S	*	*				43.9	114.6	114.1	-65.2	-75.6	0	0	0	118.6
792	S	27.3	Very low	27.8	Very low	89 Å²	89	132.8 Å²	132.8	62%	0.622	76%	0.764	S	S	*	*				67.7	108.3	70.2	172.2	0	0	0	0	113.9
793	H	25.1	Very low	27.7	Very low	191 Å²	191	138.4 Å²	138.4	88%	0.884	77%	0.768	S	S	*	*			trans	-136.1	116.4	148	-94	-73.3	0	0	0	112.5
794	Y	28.6	Very low	27.1	Very low	221 Å²	221	140 Å²	140	87%	0.867	77%	0.77	S	S	*	*			trans	-56.5	137.3	151.1	-115.9	-105.2	0	0	0	109.8
795	A	26	Very low	27.1	Very low	94 Å²	94	143 Å²	143	78%	0.777	78%	0.775	S	S	*	*			trans	-175.3	166.1	138.5	0	0	0	0	0	113
796	T	25.3	Very low	27.2	Very low	113 Å²	113	140 Å²	140	69%	0.693	77%	0.766	S	S	*	*			cis	-172	179.1	-42.3	-65.9	0	0	0	0	105.3
797	L	25.4	Very low	27.1	Very low	161 Å²	161	143.1 Å²	143.1	84%	0.843	77%	0.772	S	S	*	*			trans	74.9	159.1	160.8	-53.6	175.4	0	0	0	116.5
798	A	25.7	Very low	27.3	Very low	91 Å²	91	138.4 Å²	138.4	75%	0.752	76%	0.762	S	S	*	*			cis	-162.9	163.9	-31.9	0	0	0	0	0	108.1
799	G	26.5	Very low	27.4	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	76%	0.759	S	S	*	*			trans	-105.7	159.4	178	0	0	0	0	0	114.1
800	T	27.9	Very low	28.4	Very low	136 Å²	136	139 Å²	139	83%	0.834	76%	0.761	S	S	*	*			trans	-168.1	137.8	154.7	7.1	0	0	0	0	114.9
801	R	27.2	Very low	30	Very low	242 Å²	242	139.2 Å²	139.2	91%	0.913	76%	0.76	S	S	*	*			trans	66.3	164.2	148.9	-76.3	-172.5	174.6	-145.2	-2.2	119.8
802	P	53.2	Low	31.5	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	76%	0.756	S	S	*	*			trans	-134.8	-173.2	-145	46.5	-31.4	0	0	0	117.4
803	Y	25.5	Very low	31.6	Very low	205 Å²	205	137.5 Å²	137.5	80%	0.804	76%	0.76	S	S	*	*			trans	95.5	109.7	154.8	-105.9	-119.5	0	0	0	120.8
804	I	26.9	Very low	31.9	Very low	138 Å²	138	133.3 Å²	133.3	71%	0.708	75%	0.752	S	S	*	*			trans	87	135	138.8	-77.3	-174.8	0	0	0	122.8
805	R	26.1	Very low	32.1	Very low	222 Å²	222	131.8 Å²	131.8	84%	0.838	75%	0.75	S	S	*	*			trans	89.6	99.8	155.3	-96.7	176.2	-174.4	-179.9	1.8	123.4
806	S	27.1	Very low	32.1	Very low	87 Å²	87	135.1 Å²	135.1	61%	0.608	75%	0.752	S	S	*	*				66.5	138.3	112.5	66.9	0	0	0	0	124.3
807	D	23.8	Very low	32.1	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	75%	0.754	S	S	*	*			trans	74.2	150.9	148	-71.8	-46.9	0	0	0	120.5
808	S	25.2	Very low	33.3	Very low	85 Å²	85	132.6 Å²	132.6	59%	0.594	75%	0.749	S	S	*	*			cis	-169.9	128	-30.7	-110.4	0	0	0	0	113.9
809	T	27.9	Very low	33.5	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	75%	0.749	S	S	*	*			trans	71.1	-174.8	148.6	76.4	0	0	0	0	118.3
810	P	46.6	Very low	33.7	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	75%	0.752	S	S	*	*				-140.5	-139.7	-115	42.8	-16.8	0	0	0	112.8
811	P	58.8	Low	33.8	Very low	111 Å²	111	137 Å²	137	72%	0.721	75%	0.752	S	S	*	*			cis	-115.2	-87	-28.8	24.5	-4.3	0	0	0	115.7
812	P	55.6	Low	33.9	Very low	107 Å²	107	134.7 Å²	134.7	70%	0.695	75%	0.748	S	S	*	*				-100.8	-157.7	-87.4	26.6	-3.7	0	0	0	112.8
813	V	29.3	Very low	32.6	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.715	75%	0.751	S	S	*	*			cis	-150.9	89.4	13.7	-167.7	0	0	0	0	113.5
814	S	31.3	Very low	32.6	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	75%	0.751	S	S	*	*			trans	67.9	162.6	156	86	0	0	0	0	119
815	K	32.2	Very low	32.5	Very low	188 Å²	188	133.2 Å²	133.2	82%	0.817	75%	0.753	S	S	*	*			cis	-160.1	176	12.6	-133.3	154.6	-169.5	170.3	0	107.2
816	M	25.8	Very low	32.7	Very low	165 Å²	165	130.4 Å²	130.4	81%	0.813	75%	0.753	S	S	*	*			cis	-133.2	-152.5	8.5	-57.6	-178.4	63.5	0	0	111.2
817	S	25.4	Very low	33.5	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	76%	0.759	S	S	*	*			trans	-159.8	-158.3	178.3	-38.8	0	0	0	0	108.4
818	P	51.1	Low	33.7	Very low	115 Å²	115	132.3 Å²	132.3	75%	0.747	76%	0.757	S	S	*	*			cis	-111.9	-174.3	12	47.2	-36.1	0	0	0	112.6
819	V	30.5	Very low	33.7	Very low	123 Å²	123	134.5 Å²	134.5	75%	0.745	76%	0.758	S	S	*	*			cis	80.4	134.8	16.3	-162.4	0	0	0	0	112.3
820	S	31.3	Very low	33.7	Very low	108 Å²	108	136 Å²	136	76%	0.755	76%	0.756	S	S	*	*				-164.1	-179.5	57.5	-44.1	0	0	0	0	113.6
821	N	29.7	Very low	32.9	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	75%	0.753	S	S	*	*			trans	-111.3	165.5	178	-54.2	-56.9	0	0	0	113.5
822	K	28.7	Very low	31.4	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	75%	0.751	S	S	*	*				168.8	139.3	124.6	-92.6	179.6	178.2	-171.1	0	112.4
823	F	26.1	Very low	30	Very low	177 Å²	177	136.2 Å²	136.2	78%	0.776	76%	0.756	S	S	*	*				57.9	137.3	92.2	-102.3	-115.2	0	0	0	113.6
824	E	26	Very low	30	Very low	175 Å²	175	135.2 Å²	135.2	82%	0.818	75%	0.754	S	S	*	*			cis	-164.3	162.3	21.9	-171.8	161.1	-146.5	0	0	111.8
825	G	24.4	Very low	29.9	Very low	72 Å²	72	135.1 Å²	135.1	74%	0.742	75%	0.754	S	S	*	*			trans	142.9	124.3	162.9	0	0	0	0	0	118.1
826	I	30.4	Very low	29.7	Very low	163 Å²	163	133.2 Å²	133.2	84%	0.836	75%	0.752	S	S	*	*			trans	-148	162.2	170.5	-11.2	174.9	0	0	0	108.3
827	P	43.3	Very low	29.9	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	75%	0.752	S	S	*	*				-136.8	-171	69.2	43.8	-28	0	0	0	111.5
828	Q	28.2	Very low	30	Very low	159 Å²	159	136.6 Å²	136.6	74%	0.743	76%	0.76	S	S	*	*			cis	-155.8	179.2	2.8	-138.6	-178.2	28.5	0	0	105.6
829	Q	25.7	Very low	29	Very low	131 Å²	131	136.3 Å²	136.3	61%	0.612	76%	0.761	S	S	*	*			cis	-144.6	-179.9	18.9	-75.4	-154.8	-11.3	0	0	113
830	Q	27.1	Very low	28.8	Very low	162 Å²	162	136.6 Å²	136.6	76%	0.757	76%	0.763	S	S	*	*			trans	17	140.7	146.5	-61.1	173.7	23.3	0	0	120
831	S	30.1	Very low	28.7	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	77%	0.769	S	S	*	*			cis	-179.2	161.1	-4.9	-92.4	0	0	0	0	108.5
832	T	27.1	Very low	28.4	Very low	109 Å²	109	135.1 Å²	135.1	67%	0.669	76%	0.761	S	S	*	*			cis	-169.3	155.8	-20	26.9	0	0	0	0	109.1
833	T	27.2	Very low	29	Very low	130 Å²	130	131.3 Å²	131.3	80%	0.798	76%	0.756	S	S	*	*			trans	61.6	148.3	154.6	49.8	0	0	0	0	121.1
834	S	29.6	Very low	29	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	76%	0.762	S	S	*	*			cis	-172.2	152	-19.2	50.8	0	0	0	0	114.3
835	S	28.1	Very low	29	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	76%	0.761	S	S	*	*			trans	61.9	109.5	143.5	62	0	0	0	0	124.8
836	N	29	Very low	29.3	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	77%	0.767	S	S	*	*				20.8	141.3	125.2	-57.6	-18.7	0	0	0	122.3
837	T	28.5	Very low	29.6	Very low	133 Å²	133	133.3 Å²	133.3	82%	0.816	76%	0.757	S	S	*	*				-179.2	137.9	96.8	26.4	0	0	0	0	117.3
838	K	28.5	Very low	28.7	Very low	208 Å²	208	137.2 Å²	137.2	90%	0.904	76%	0.762	S	S	*	*			trans	45.6	158.3	144.2	-83.9	-173.6	174.4	-178.5	0	124.3
839	S	28.7	Very low	28.6	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	77%	0.769	S	S	*	*			trans	-127.7	155.9	-177.7	49.7	0	0	0	0	112.5
840	T	27.8	Very low	29	Very low	129 Å²	129	137.2 Å²	137.2	79%	0.791	78%	0.777	S	S	*	*			trans	-160.6	138.8	165.8	16.7	0	0	0	0	113.2
841	L	28.9	Very low	29.1	Very low	167 Å²	167	138 Å²	138	87%	0.874	78%	0.781	S	S	*	*			trans	61.6	128.1	147	-60.8	170.3	0	0	0	121.7
842	G	23.4	Very low	29	Very low	64 Å²	64	143 Å²	143	66%	0.66	79%	0.79	S	S	*	*			trans	-99.2	-156.3	139.5	0	0	0	0	0	110.1
843	P	40.2	Very low	28.9	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	80%	0.798	S	S	*	*			cis	-140.6	-170.8	5.9	44	-26.3	0	0	0	115.7
844	R	28	Very low	28.9	Very low	237 Å²	237	142.9 Å²	142.9	89%	0.894	80%	0.799	S	S	*	*			trans	77.2	163	156.7	-71.3	176.6	165.9	172.5	-4.6	120.4
845	V	25.1	Very low	29	Very low	132 Å²	132	146.1 Å²	146.1	80%	0.8	81%	0.808	S	S	*	*			trans	86.4	86.1	160.7	-160.9	0	0	0	0	118.9
846	L	30.4	Very low	29.1	Very low	164 Å²	164	153.3 Å²	153.3	86%	0.859	82%	0.82	S	S	*	*				-69.8	155.1	129.6	-85.1	163.6	0	0	0	108.5
847	P	36.7	Very low	29.2	Very low	97 Å²	97	155.8 Å²	155.8	63%	0.63	82%	0.824	S	S	*	*			cis	-157.1	-166.6	47.3	43.7	-21.6	0	0	0	118.3
848	K	25.2	Very low	29.3	Very low	195 Å²	195	157.4 Å²	157.4	85%	0.848	83%	0.826	S	S	*	*			trans	81.5	111.5	154.7	-72	176.6	179.8	-176.4	0	120.7
849	L	25.9	Very low	29.3	Very low	169 Å²	169	154.6 Å²	154.6	89%	0.885	82%	0.82	S	S	*	*			trans	-90.9	154.1	141.4	-100.1	85.3	0	0	0	110.7
850	P	32.7	Very low	29.2	Very low	121 Å²	121	156 Å²	156	79%	0.786	83%	0.825	S	S	*	*			trans	-105	170.1	161.6	37.5	-29.9	0	0	0	113.8
851	Q	29.3	Very low	29.6	Very low	179 Å²	179	156.9 Å²	156.9	84%	0.836	82%	0.823	S	S	*	*			trans	-81.1	152	-164.9	-54.6	146.1	-50.5	0	0	116.3
852	K	28.7	Very low	29.6	Very low	200 Å²	200	158 Å²	158	87%	0.87	82%	0.823	S	S	*	*				174.6	130.2	125.2	-93.4	162.5	-177	-178.1	0	108.2
853	V	25.7	Very low	29.8	Very low	136 Å²	136	162.8 Å²	162.8	82%	0.824	83%	0.828	S	S	*	*			cis	71.3	93.6	45.1	-174.6	0	0	0	0	113.5
854	A	27.6	Very low	29.4	Very low	100 Å²	100	163.3 Å²	163.3	83%	0.826	83%	0.832	S	S	*	*			trans	178	144.3	130.1	0	0	0	0	0	112.1
855	L	30.6	Very low	29.3	Very low	167 Å²	167	157 Å²	157	87%	0.874	82%	0.824	S	S	*	*			trans	-102.6	147	167	-81.8	162.2	0	0	0	110.2
856	R	29.8	Very low	29.4	Very low	252 Å²	252	157 Å²	157	95%	0.951	82%	0.824	S	S	*	*			trans	-174.6	147.3	138.2	-101.8	154.7	-164.4	-160.3	2.8	112.1
857	K	32.5	Very low	29.3	Very low	199 Å²	199	156.5 Å²	156.5	87%	0.865	82%	0.822	S	S	*	*			trans	-94.3	156.7	163.1	-66.1	-178.6	176	-176.7	0	109.4
858	I	29.4	Very low	28.9	Very low	167 Å²	167	161.5 Å²	161.5	86%	0.856	83%	0.834	S	S	*	*			trans	-170.9	147	143.3	-98	149.9	0	0	0	107.7
859	D	29.1	Very low	29.3	Very low	148 Å²	148	157.8 Å²	157.8	79%	0.791	83%	0.829	S	S	*	*			trans	-82.6	151.4	-172.2	-51	-93.5	0	0	0	114.3
860	T	26.9	Very low	29.2	Very low	139 Å²	139	155.6 Å²	155.6	85%	0.853	83%	0.828	S	S	*	*			trans	-158	137.9	147.4	-55.5	0	0	0	0	109.4
861	I	35.1	Very low	29	Very low	147 Å²	147	157.7 Å²	157.7	75%	0.754	83%	0.832	S	S	*	*			trans	-108.2	131	171.2	-64.2	171.1	0	0	0	108.3
862	H	30	Very low	29.1	Very low	191 Å²	191	154.4 Å²	154.4	88%	0.884	83%	0.826	S	S	*	*			trans	-163.8	145.3	143.6	-111.9	-75.7	0	0	0	113
863	H	27	Very low	29.4	Very low	165 Å²	165	150.2 Å²	150.2	76%	0.764	82%	0.82	S	S	*	*			trans	-80.1	160.3	178.5	-99.4	-65.8	0	0	0	112.2
864	P	31.3	Very low	29.5	Very low	125 Å²	125	151.5 Å²	151.5	81%	0.812	82%	0.816	S	S	*	*				-142.2	176.1	69.1	38.2	-18.8	0	0	0	117.5
865	S	25.4	Very low	29.5	Very low	105 Å²	105	153.7 Å²	153.7	73%	0.734	82%	0.819	S	S	*	*			trans	-93.4	145.7	-176.9	-179.2	0	0	0	0	113
866	V	29.1	Very low	29.5	Very low	131 Å²	131	152.9 Å²	152.9	79%	0.794	81%	0.809	S	S	*	*			trans	-146	164.2	155.5	-149.3	0	0	0	0	109.5
867	D	27.7	Very low	29.5	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	79%	0.79	S	S	*	*			trans	-80.9	-179.7	-155.8	-75	-84.5	0	0	0	120
868	K	27	Very low	29.2	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	79%	0.786	S	S	*	*			trans	-60.2	175.2	174.9	-111.6	-161.3	172.9	176.8	0	113.9
869	P	35.1	Very low	28.9	Very low	116 Å²	116	142.8 Å²	142.8	75%	0.753	78%	0.782	S	S	*	*			trans	-94.9	172.7	-138.8	39.8	-40.4	0	0	0	115.1
870	S	22.5	Very low	30.2	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	78%	0.781	S	S	*	*			trans	-125.4	162.1	161.1	40.7	0	0	0	0	111.8
871	L	29.4	Very low	32	Very low	164 Å²	164	140 Å²	140	86%	0.859	77%	0.774	S	S	*	*			trans	-107.6	177.4	-160	-94	167.1	0	0	0	111.9
872	P	30.5	Very low	32.8	Very low	111 Å²	111	138 Å²	138	72%	0.721	77%	0.771	S	S	*	*			trans	-70.3	167.4	-165.8	28	-36.8	0	0	0	115.3
873	P	35.8	Very low	32.7	Very low	112 Å²	112	135 Å²	135	73%	0.727	77%	0.766	S	S	*	*			trans	-77.7	148.9	-166.7	29.3	-36.7	0	0	0	116.8
874	E	28	Very low	32.7	Very low	162 Å²	162	135.2 Å²	135.2	76%	0.757	77%	0.767	S	S	*	*			trans	55.7	119.6	140.6	-62.5	-176.2	121.7	0	0	122
875	V	28	Very low	32.6	Very low	147 Å²	147	135.5 Å²	135.5	89%	0.891	77%	0.767	S	S	*	*				-138.7	141.5	116.3	-175.9	0	0	0	0	111
876	F	29.3	Very low	32.6	Very low	150 Å²	150	135.1 Å²	135.1	66%	0.658	77%	0.77	S	S	*	*			trans	-44.7	164.4	169.4	-81.6	-119.2	0	0	0	117.1
877	Q	29.7	Very low	32.7	Very low	118 Å²	118	137.6 Å²	137.6	55%	0.551	77%	0.772	S	S	*	*			cis	-173.3	160.8	-26.1	-137.3	-178	59.3	0	0	110
878	K	26	Very low	32.5	Very low	177 Å²	177	140.1 Å²	140.1	77%	0.77	78%	0.776	S	S	*	*			trans	67.1	119	152.9	-78.5	173.4	178.3	136.4	0	122.7
879	S	24.3	Very low	32.7	Very low	111 Å²	111	134.6 Å²	134.6	78%	0.776	77%	0.769	S	S	*	*			trans	-71.8	-164.7	148.9	-25	0	0	0	0	111.8
880	P	57.2	Low	33.5	Very low	121 Å²	121	134.3 Å²	134.3	79%	0.786	77%	0.767	S	S	*	*			cis	-131.3	-114.7	0.7	24.6	4.2	0	0	0	116.7
881	P	64.1	Low	33.9	Very low	108 Å²	108	136.5 Å²	136.5	70%	0.701	77%	0.768	S	S	*	*				-125.9	-150.2	-120.2	45.6	-25.4	0	0	0	112.1
882	P	51.3	Low	33.9	Very low	104 Å²	104	132.6 Å²	132.6	68%	0.675	76%	0.759	S	S	*	*			cis	-141.3	-156.2	-5.8	38.8	-15.3	0	0	0	116
883	T	27.9	Very low	33.9	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	77%	0.767	S	S	*	*			trans	91.2	165.5	148.8	32.9	0	0	0	0	121.4
884	E	26.9	Very low	33.7	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	77%	0.766	S	S	*	*			trans	-110.1	160	-146.4	-60.5	174.9	95.1	0	0	116
885	T	28.9	Very low	34.1	Very low	132 Å²	132	136.4 Å²	136.4	81%	0.81	77%	0.765	S	S	*	*			trans	37.5	121.6	147.3	57.9	0	0	0	0	122.1
886	A	27.1	Very low	34.3	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	75%	0.751	S	S	*	*				-173.7	161.6	119.8	0	0	0	0	0	113.8
887	H	29.3	Very low	34.4	Very low	183 Å²	183	135.9 Å²	135.9	85%	0.847	76%	0.759	S	S	*	*			trans	-56.9	167.8	178.4	-50.2	-81.1	0	0	0	114.6
888	K	24.7	Very low	34.3	Very low	206 Å²	206	133.3 Å²	133.3	90%	0.896	76%	0.764	S	S	*	*			cis	-168.4	164.1	39	-147.6	167.4	-173	177.1	0	111.7
889	A	30.8	Very low	34.5	Very low	88 Å²	88	132.7 Å²	132.7	73%	0.727	77%	0.769	S	S	*	*			trans	-90.9	-179.2	175.8	0	0	0	0	0	112.2
890	P	51.6	Low	34.7	Very low	110 Å²	110	135.1 Å²	135.1	71%	0.714	77%	0.772	S	S	*	*				-158	-176.7	56.1	47.1	-25.9	0	0	0	119.8
891	L	31.5	Very low	34.7	Very low	169 Å²	169	134.6 Å²	134.6	89%	0.885	77%	0.769	S	S	*	*			trans	70.7	144.4	160	-63.3	169.9	0	0	0	119.4
892	A	30.2	Very low	34	Very low	82 Å²	82	135.4 Å²	135.4	68%	0.678	77%	0.774	S	S	*	*			cis	-162.3	157.9	-11.3	0	0	0	0	0	115.3
893	D	29.2	Very low	32.8	Very low	166 Å²	166	139.8 Å²	139.8	89%	0.888	78%	0.783	S	S	*	*			trans	83.1	162.3	148.9	-101	-57.4	0	0	0	127.1
894	R	31.3	Very low	33.4	Very low	187 Å²	187	138.9 Å²	138.9	71%	0.706	78%	0.779	S	S	*	*			trans	-111.3	-177	-155.3	-122.1	-173.4	174.9	-175.6	3.9	115	Q896	R894-Q896 VanDerWaalsContact NH1-CD 3.28Å
895	P	37.8	Very low	33.6	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	78%	0.782	S	S	*	*			cis	-121.6	168.1	30.2	10.9	17.3	0	0	0	115.3
896	Q	32	Very low	33.7	Very low	128 Å²	128	139.3 Å²	139.3	60%	0.598	78%	0.78	S	S	*	*				72.6	142.9	59.5	-67.9	177.8	-109.3	0	0	117	R894	R894-Q896 VanDerWaalsContact NH1-CD 3.28Å
897	L	30	Very low	33.8	Very low	158 Å²	158	139.8 Å²	139.8	83%	0.827	78%	0.778	S	S	*	*			cis	-172.4	155.5	-10.8	167.8	150.8	0	0	0	111.9
898	G	29.1	Very low	33.8	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	78%	0.778	S	S	*	*			trans	117.4	152.4	167.6	0	0	0	0	0	115.3
899	D	30	Very low	34	Very low	164 Å²	164	138 Å²	138	88%	0.877	78%	0.778	S	S	*	*			cis	-157.6	-173.8	-3.1	-132.9	-37.2	0	0	0	112.6
900	L	28.7	Very low	34.3	Very low	163 Å²	163	139 Å²	139	85%	0.853	78%	0.776	S	S	*	*			trans	-106.6	175.7	-167.9	-84.8	172.1	0	0	0	116.9
901	P	56.7	Low	33.7	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	78%	0.781	S	S	*	*			trans	-104.3	176.9	-153.5	44.9	-41.3	0	0	0	116.1
902	P	48.3	Very low	33.6	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	77%	0.774	S	S	*	*				-158.1	-176.3	87.4	42.5	-20.7	0	0	0	119.5
903	K	27.3	Very low	34.1	Very low	196 Å²	196	141.6 Å²	141.6	85%	0.852	78%	0.779	S	S	*	*			trans	-33.8	175.5	163.5	-92.7	-178.4	177.9	-178	0	120
904	P	40.7	Very low	34.3	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	77%	0.772	S	S	*	*			cis	-140.9	-169.4	-13.6	36.4	-13.9	0	0	0	117
905	Q	31.2	Very low	34.2	Very low	182 Å²	182	137.5 Å²	137.5	85%	0.85	78%	0.782	S	S	*	*			trans	-32.5	159.3	168.5	-56.7	166.1	-56.3	0	0	120.5
906	V	30.4	Very low	34.1	Very low	128 Å²	128	140.2 Å²	140.2	78%	0.776	79%	0.79	S	S	*	*				-177.3	142.6	112	144.2	0	0	0	0	112.6
907	S	28.9	Very low	34.3	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	80%	0.797	S	S	*	*			trans	53	159.9	164.3	62.9	0	0	0	0	122.1
908	E	29.1	Very low	34.9	Very low	182 Å²	182	138.3 Å²	138.3	85%	0.85	80%	0.798	S	S	*	*			cis	-166	136.4	-45.2	-154.7	168.7	-150.2	0	0	109.2
909	L	30.3	Very low	35.6	Very low	170 Å²	170	144.8 Å²	144.8	89%	0.89	81%	0.808	S	S	*	*			trans	159.8	156.6	152.9	-88.7	170.6	0	0	0	110.8
910	P	36.2	Very low	35.8	Very low	107 Å²	107	142.4 Å²	142.4	70%	0.695	80%	0.802	S	S	*	*			trans	-108	160.1	-155.2	40.1	-36.9	0	0	0	116.8
911	P	38.1	Very low	35.8	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	81%	0.805	S	S	*	*			trans	-80.7	153.7	160.7	34.2	-33.2	0	0	0	112.6
912	K	30.8	Very low	35.1	Very low	169 Å²	169	146 Å²	146	74%	0.735	81%	0.809	S	S	*	*			trans	-98.2	170.1	171.5	-116	-172.4	179.2	175.6	0	110.2	H225	H225-K912 PolarHBondContact NE2-NZ 2.88Å
913	P	40.8	Very low	34.3	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	80%	0.8	S	S	*	*				-124.4	166	-113	41	-28.3	0	0	0	115.5
914	G	32.4	Very low	34.6	Very low	72 Å²	72	142.1 Å²	142.1	74%	0.742	80%	0.797	S	S	*	*			trans	136	105	149.8	0	0	0	0	0	115.8
915	E	28.8	Very low	34.7	Very low	194 Å²	194	144 Å²	144	91%	0.907	80%	0.8	S	S	*	*			trans	-168	154.6	131.1	-111.1	-179.4	-179	0	0	110.8
916	L	36.2	Very low	35	Very low	171 Å²	171	140.9 Å²	140.9	90%	0.895	80%	0.796	S	S	*	*			trans	-143.7	123.7	176.1	-89.2	176.3	0	0	0	110.7
917	P	37.2	Very low	36	Very low	115 Å²	115	141 Å²	141	75%	0.747	80%	0.8	S	S	*	*			trans	-116.7	-177.9	159.9	43	-31.9	0	0	0	109.8
918	P	41.7	Very low	36.8	Very low	131 Å²	131	145 Å²	145	85%	0.851	80%	0.804	S	S	*	*				-117.1	-171.7	-122.3	14.6	11.8	0	0	0	115.5
919	K	43.1	Very low	37.1	Very low	199 Å²	199	142 Å²	142	87%	0.865	80%	0.8	S	S	*	*			trans	-108.7	133.8	-165.7	-179.4	-178.8	-175.8	-176.5	0	113.1
920	P	34.9	Very low	37.4	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	80%	0.798	S	S	*	*			trans	-97	179.8	161.4	35.6	-30.4	0	0	0	112.8
921	Q	29.3	Very low	37.8	Very low	199 Å²	199	145.5 Å²	145.5	93%	0.93	81%	0.807	S	S	*	*			trans	-102.7	177	-154.8	-72.9	-175.9	-27.2	0	0	116.7
922	L	42.3	Very low	38.2	Very low	149 Å²	149	142.6 Å²	142.6	78%	0.78	80%	0.8	S	S	*	*			trans	-78.9	137	-177.4	-176.9	76.3	0	0	0	112.4
923	S	31.4	Very low	38.7	Very low	90 Å²	90	142.3 Å²	142.3	63%	0.629	81%	0.806	S	S	*	*			trans	-135.6	155.3	154.9	71.1	0	0	0	0	110.3
924	D	33.2	Very low	38.9	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	81%	0.806	S	S	*	*			trans	67.8	107.9	167.6	-47	-50.6	0	0	0	117.9
925	L	42.5	Very low	39.1	Very low	147 Å²	147	145.9 Å²	145.9	77%	0.77	81%	0.807	S	S	*	*			trans	-112.2	154.2	177.9	-68.3	169.8	0	0	0	111.4
926	P	37.8	Very low	39.9	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	80%	0.802	S	S	*	*			trans	-104.8	159.3	145.7	-4.5	25	0	0	0	112.3
927	P	51.1	Low	40.5	Very low	131 Å²	131	143.5 Å²	143.5	85%	0.851	80%	0.799	S	S	*	*			trans	-90.8	176.5	-167.4	36.3	-37.5	0	0	0	116
928	K	46.6	Very low	40.3	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.6	131.3	-169.8	-177.6	-175.2	-178	-177.7	0	112.9
929	P	33.7	Very low	40	Very low	117 Å²	117	146.5 Å²	146.5	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.3	150.5	166.1	-16.9	31.5	0	0	0	112.5
930	Q	37.7	Very low	40.2	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-101	169.6	176.5	-71.5	-172.3	-12	0	0	112.6	G932	Q930-G932 PolarHBondContact O-N 3.46Å
931	L	44.3	Very low	40.5	Very low	166 Å²	166	148.1 Å²	148.1	87%	0.869	80%	0.804	S	S	*	*	S	Bend	trans	-63.9	110.1	177.3	-177.5	71.3	0	0	0	110.3	L934	L931-L934 HydrophobicContact CD1-CD1 4.4Å
932	G	47.5	Very low	40.7	Very low	65 Å²	65	146.2 Å²	146.2	67%	0.67	80%	0.801	S	S	*	*			trans	-160.5	13.7	-169	0	0	0	0	0	118	Q930	Q930-G932 PolarHBondContact O-N 3.46Å
933	D	39.5	Very low	40.2	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	80%	0.803	S	S	*	*			trans	-147.1	97.6	172.7	-92.7	-49.3	0	0	0	110.6
934	L	45.1	Very low	40.5	Very low	150 Å²	150	148 Å²	148	79%	0.785	81%	0.81	S	S	*	*			trans	-148.6	117.1	172.2	-76	178.5	0	0	0	109.9	L931	L931-L934 HydrophobicContact CD1-CD1 4.4Å
935	P	37.8	Very low	40.8	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	81%	0.808	S	S	*	*				-149	-178.2	118.3	39.6	-25.2	0	0	0	112.8
936	P	46.2	Very low	40.6	Very low	121 Å²	121	148.7 Å²	148.7	79%	0.786	81%	0.812	S	S	*	*			cis	-120.2	-174.5	-44.8	36.3	-22.2	0	0	0	111.1
937	K	46.9	Very low	40.3	Very low	195 Å²	195	149.2 Å²	149.2	85%	0.848	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-91.8	122.1	-176.5	-170	179.3	-173.9	178.8	0	112.4
938	P	33.5	Very low	39.3	Very low	119 Å²	119	150.5 Å²	150.5	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.7	148.9	170.5	-16.8	31.4	0	0	0	112.2
939	Q	36	Very low	38.3	Very low	189 Å²	189	148.8 Å²	148.8	88%	0.883	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-100.6	168.1	173.5	-71	-175.9	-18.2	0	0	111.9	K941	Q939-K941 PolarHBondContact O-N 3.24Å
940	L	48	Very low	37.9	Very low	162 Å²	162	146.5 Å²	146.5	85%	0.848	80%	0.799	S	S	*	*	S	Bend	trans	-71.6	92.3	173.9	-178.9	76.5	0	0	0	111.2
941	K	40.3	Very low	37.4	Very low	185 Å²	185	144.4 Å²	144.4	80%	0.804	79%	0.794	S	S	*	*			trans	162.6	108.4	142.8	-89.3	151.7	-170.4	173.1	0	110.3	Q939	Q939-K941 PolarHBondContact O-N 3.24Å
942	D	33.6	Very low	36.5	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	79%	0.791	S	S	*	*			trans	-156.2	157.1	151.2	-125.8	-37.2	0	0	0	111.2
943	L	31.6	Very low	35.9	Very low	158 Å²	158	149.1 Å²	149.1	83%	0.827	80%	0.798	S	S	*	*			trans	76.1	146.2	-178.5	-54.4	-179.2	0	0	0	118.3
944	P	38.7	Very low	35.7	Very low	118 Å²	118	147.4 Å²	147.4	77%	0.766	80%	0.795	S	S	*	*			trans	-133.8	-141.7	-137.8	36.8	-11.6	0	0	0	115.2
945	P	38	Very low	35.1	Very low	120 Å²	120	149.1 Å²	149.1	78%	0.779	80%	0.797	S	S	*	*				-124	177	-104	39.8	-21.9	0	0	0	117.5
946	K	38.1	Very low	34.7	Very low	192 Å²	192	149.7 Å²	149.7	84%	0.835	80%	0.801	S	S	*	*			trans	-53.8	152	174.1	-70.5	178.4	172.2	176.9	0	113.7
947	P	32.2	Very low	33.7	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	79%	0.793	S	S	*	*				-125.3	-143	95.9	33.8	-23.6	0	0	0	115.7
948	H	29.3	Very low	32.7	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.736	79%	0.79	S	S	*	*				-178.3	172.3	-125.1	-173.5	42.6	0	0	0	112.4
949	L	26.1	Very low	32.5	Very low	153 Å²	153	143 Å²	143	80%	0.801	79%	0.788	S	S	*	*			trans	64.2	150.2	-178.3	-70.7	158.2	0	0	0	114.1
950	A	24.8	Very low	32	Very low	70 Å²	70	142.4 Å²	142.4	58%	0.579	79%	0.785	S	S	*	*			cis	-150.7	-169.6	-7.3	0	0	0	0	0	109.8
951	D	27.8	Very low	30.9	Very low	140 Å²	140	140 Å²	140	75%	0.749	78%	0.782	S	S	*	*			trans	66.8	121.3	160.7	-56.6	-34.8	0	0	0	118
952	L	25.7	Very low	30.7	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	78%	0.78	S	S	*	*				83.5	128.1	59.5	-72.4	175.7	0	0	0	114.6
953	H	35.2	Very low	30.6	Very low	175 Å²	175	134 Å²	134	81%	0.81	78%	0.779	S	S	*	*			trans	-43	158.6	175.5	-65.9	-79.8	0	0	0	116.1
954	P	34.2	Very low	30.4	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	78%	0.781	S	S	*	*				-133.4	155.1	95.3	37.3	-28.8	0	0	0	117.3
955	K	32.6	Very low	30.9	Very low	187 Å²	187	136.9 Å²	136.9	81%	0.813	78%	0.777	S	S	*	*			trans	-52.8	161.8	159.7	-78.6	173.8	177.6	177.4	0	112.1
956	P	30.5	Very low	31.1	Very low	132 Å²	132	136.5 Å²	136.5	86%	0.857	78%	0.775	S	S	*	*			cis	-114.5	174.6	39.8	15.9	7	0	0	0	114.1
957	G	25.1	Very low	30.5	Very low	60 Å²	60	132 Å²	132	62%	0.619	77%	0.773	S	S	*	*			cis	154.7	150.9	-1.3	0	0	0	0	0	111.5
958	T	25.1	Very low	30.2	Very low	130 Å²	130	129 Å²	129	80%	0.798	77%	0.765	S	S	*	*			trans	17.1	122.9	134.6	52.8	0	0	0	0	116.9
959	S	29	Very low	30	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	77%	0.77	S	S	*	*				-148.9	155.5	58.8	4.1	0	0	0	0	110.7
960	E	26.7	Very low	30.2	Very low	176 Å²	176	126.9 Å²	126.9	82%	0.822	77%	0.769	S	S	*	*				51	138	76.2	-65.8	-178.5	110.5	0	0	113.8
961	S	25	Very low	30.3	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	78%	0.775	S	S	*	*			cis	-157.9	-174.3	1.9	44.5	0	0	0	0	110.5
962	A	34.6	Very low	30.4	Very low	93 Å²	93	127.7 Å²	127.7	77%	0.769	77%	0.772	S	S	*	*			trans	-66.5	157.3	176	0	0	0	0	0	112.5
963	P	32.6	Very low	30.5	Very low	128 Å²	128	129.1 Å²	129.1	83%	0.831	78%	0.775	S	S	*	*				-147.5	174.5	90	39.4	-22.6	0	0	0	117.4
964	R	26	Very low	30.2	Very low	230 Å²	230	130 Å²	130	87%	0.868	77%	0.77	S	S	*	*			trans	-89.9	-177.8	168.5	-141.7	-169.4	178.8	-156.1	2	109.4
965	P	50.9	Low	30.3	Very low	105 Å²	105	129.6 Å²	129.6	68%	0.682	77%	0.768	S	S	*	*			cis	-104.7	-127.1	-25.1	42	-26.5	0	0	0	109
966	P	40.7	Very low	30.1	Very low	113 Å²	113	127 Å²	127	73%	0.734	76%	0.759	S	S	*	*			cis	-85.2	-167.4	-4.1	42.5	-40.3	0	0	0	111.6
967	A	25.7	Very low	29.9	Very low	96 Å²	96	127.8 Å²	127.8	79%	0.793	76%	0.761	S	S	*	*			cis	82.5	143.5	9.4	0	0	0	0	0	118
968	G	27.3	Very low	30.2	Very low	65 Å²	65	133.5 Å²	133.5	67%	0.67	77%	0.772	S	S	*	*			cis	-141.3	153.7	-1.1	0	0	0	0	0	111.7
969	D	25.3	Very low	30.5	Very low	158 Å²	158	133 Å²	133	85%	0.845	77%	0.771	S	S	*	*				78.6	111.2	82	-102.4	-33.3	0	0	0	115.8
970	S	29.7	Very low	30.9	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	77%	0.774	S	S	*	*			trans	173.2	91.9	154.2	-77.2	0	0	0	0	108.9
971	T	27.1	Very low	31.4	Very low	116 Å²	116	131 Å²	131	71%	0.712	77%	0.771	S	S	*	*				83	141.8	80	55.8	0	0	0	0	116.8
972	T	29.6	Very low	32.1	Very low	111 Å²	111	131.4 Å²	131.4	68%	0.681	77%	0.771	S	S	*	*			trans	71.5	113.5	151.9	42.8	0	0	0	0	123.2
973	Q	28.6	Very low	32.2	Very low	185 Å²	185	133 Å²	133	86%	0.864	77%	0.773	S	S	*	*				96.6	141.2	121.5	-72.2	174.2	15.6	0	0	123.5
974	R	27.7	Very low	32	Very low	192 Å²	192	135.9 Å²	135.9	73%	0.725	78%	0.775	S	S	*	*			trans	-65	165.5	158.7	-108.4	-174.1	-169.6	-172.7	10.6	110.7	Q976	R974-Q976 HydrophobicContact CG-CB 4.39Å
975	P	36.1	Very low	32.1	Very low	119 Å²	119	131.6 Å²	131.6	77%	0.773	78%	0.775	S	S	*	*			cis	-125.6	167.6	45.4	15.8	9.3	0	0	0	113.9
976	Q	28	Very low	30.8	Very low	132 Å²	132	135.2 Å²	135.2	62%	0.617	78%	0.783	S	S	*	*			cis	81	92.5	26	-165.2	-175.6	-2.7	0	0	116	R974	R974-Q976 HydrophobicContact CG-CB 4.39Å
977	T	27.1	Very low	31.3	Very low	148 Å²	148	134.7 Å²	134.7	91%	0.908	78%	0.78	S	S	*	*			trans	-148.5	149.5	156.7	19.1	0	0	0	0	110.6
978	Q	30.5	Very low	31.3	Very low	181 Å²	181	138.6 Å²	138.6	85%	0.846	78%	0.782	S	S	*	*			trans	-106.2	158	179.7	-60.9	161.8	-69.2	0	0	110.9
979	P	33.3	Very low	31.2	Very low	120 Å²	120	143.5 Å²	143.5	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-86.2	147.4	153	29.7	-21.1	0	0	0	111.5
980	P	35.9	Very low	31.2	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-90.5	164.1	-176.5	36	-36.5	0	0	0	114.6
981	P	37.7	Very low	31	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.2	166.6	176.4	35.5	-36.7	0	0	0	113.9
982	P	39.3	Very low	30.7	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.2	156.9	-179.7	33.9	-36.6	0	0	0	114.1
983	P	36.7	Very low	31	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.5	152.8	176.4	35	-34.8	0	0	0	113.6
984	Q	29.7	Very low	30.7	Very low	189 Å²	189	141.1 Å²	141.1	88%	0.883	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-103.6	151.8	168	-67.6	178	-32.1	0	0	111.1
985	T	26.4	Very low	31.3	Very low	141 Å²	141	136.9 Å²	136.9	87%	0.865	78%	0.778	S	S	*	*			trans	-159.8	148.7	155.1	-5.5	0	0	0	0	112.7
986	Q	24.3	Very low	30.9	Very low	180 Å²	180	137.1 Å²	137.1	84%	0.841	77%	0.773	S	S	*	*			trans	-150	177	174.4	-89.2	-167.6	-6.4	0	0	106.4
987	P	51.4	Low	30.9	Very low	103 Å²	103	137.7 Å²	137.7	67%	0.669	78%	0.775	S	S	*	*			cis	-134.1	175.3	-45.6	38.9	-24.5	0	0	0	111.8
988	Q	26.1	Very low	30.9	Very low	178 Å²	178	138.2 Å²	138.2	83%	0.832	77%	0.767	S	S	*	*			trans	177.3	142.9	154.4	-100.4	153.5	13.2	0	0	107.8
989	Q	24.3	Very low	30.8	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	76%	0.763	S	S	*	*				61.6	136.5	51.8	-66.8	-173.9	-0.8	0	0	112.1
990	Q	25.3	Very low	30.5	Very low	162 Å²	162	133.7 Å²	133.7	76%	0.757	76%	0.758	S	S	*	*			cis	-131.1	-173.2	11.1	-110.1	144	-27.4	0	0	109
991	D	25.1	Very low	30	Very low	144 Å²	144	134.5 Å²	134.5	77%	0.77	76%	0.756	S	S	*	*			cis	-161.7	-176.1	36.2	-141.8	-28.8	0	0	0	114.4
992	S	22.5	Very low	29.5	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	76%	0.757	S	S	*	*			trans	-108.8	-165.4	-172.1	-45.4	0	0	0	0	111.8
993	P	34.5	Very low	28.8	Very low	117 Å²	117	134 Å²	134	76%	0.76	75%	0.749	S	S	*	*			cis	-139.6	175.2	-5.3	41.4	-21.7	0	0	0	118.4
994	S	23.6	Very low	28.2	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	75%	0.748	S	S	*	*			trans	-24.1	171.4	145	-48.8	0	0	0	0	117.8
995	P	40.1	Very low	28.7	Very low	104 Å²	104	130.4 Å²	130.4	68%	0.675	74%	0.74	S	S	*	*			cis	-160.6	-177.9	37	47.1	-24.8	0	0	0	122.6
996	N	27.3	Very low	28.7	Very low	124 Å²	124	128.3 Å²	128.3	66%	0.663	73%	0.731	S	S	*	*			trans	74.7	149.9	148.4	-71.9	-11.3	0	0	0	119.9
997	Q	28.3	Very low	28.8	Very low	143 Å²	143	127.3 Å²	127.3	67%	0.668	73%	0.726	S	S	*	*			cis	-147	146.3	-1.2	-116.2	152.1	-5.3	0	0	108.8
998	Q	27.5	Very low	27.5	Very low	159 Å²	159	129.5 Å²	129.5	74%	0.743	73%	0.728	S	S	*	*				46.4	142.3	92.9	-48.5	-179.3	-25.5	0	0	114.6
999	V	27.1	Very low	27.4	Very low	124 Å²	124	126.8 Å²	126.8	75%	0.752	72%	0.724	S	S	*	*			cis	-145.8	131.2	29	175.1	0	0	0	0	107.8
1000	A	27.8	Very low	27.6	Very low	82 Å²	82	122.9 Å²	122.9	68%	0.678	72%	0.72	S	S	*	*				51.2	157.9	96.5	0	0	0	0	0	116.6
1001	N	25.9	Very low	27.7	Very low	139 Å²	139	124.1 Å²	124.1	74%	0.743	73%	0.726	S	S	*	*			cis	-167.3	170.7	18.5	-148.1	-4	0	0	0	113.1
1002	I	26.5	Very low	28	Very low	151 Å²	151	123.6 Å²	123.6	77%	0.774	72%	0.723	S	S	*	*			trans	69.7	150.7	156	-62.9	154.7	0	0	0	118.3
1003	A	25.2	Very low	28.5	Very low	74 Å²	74	123.5 Å²	123.5	61%	0.612	72%	0.718	S	S	*	*			cis	-170	144.3	-47	0	0	0	0	0	110.4
1004	T	22.8	Very low	28.3	Very low	130 Å²	130	125.4 Å²	125.4	80%	0.798	72%	0.722	S	S	*	*			trans	25.7	157	143.5	53.1	0	0	0	0	123.8
1005	P	41.3	Very low	28.4	Very low	108 Å²	108	123.4 Å²	123.4	70%	0.701	72%	0.718	S	S	*	*			cis	-145.8	-172	-20.6	38.2	-16.8	0	0	0	116.3
1006	S	25.1	Very low	27.8	Very low	98 Å²	98	125.6 Å²	125.6	69%	0.685	73%	0.73	S	S	*	*			trans	90.7	125.7	143	-64.3	0	0	0	0	123.8
1007	Q	26	Very low	28.9	Very low	159 Å²	159	125.1 Å²	125.1	74%	0.743	73%	0.733	S	S	*	*			trans	61.6	114.3	136.7	-69.6	-176.9	-80.4	0	0	124.1
1008	Q	25.1	Very low	30	Very low	148 Å²	148	124.4 Å²	124.4	69%	0.692	74%	0.742	S	S	*	*				63.9	132.1	121.3	-67.7	179	-74.9	0	0	123.7
1009	T	23.9	Very low	29.9	Very low	122 Å²	122	120 Å²	120	75%	0.748	74%	0.738	S	S	*	*			trans	67	106.9	140.7	52.7	0	0	0	0	122.5
1010	A	28.3	Very low	30	Very low	86 Å²	86	120.8 Å²	120.8	71%	0.711	74%	0.744	S	S	*	*				76.6	148	111.3	0	0	0	0	0	122.8
1011	E	28.6	Very low	30.1	Very low	187 Å²	187	121.3 Å²	121.3	87%	0.874	75%	0.748	S	S	*	*			trans	64.7	151.4	153.4	-69.9	172.8	177.3	0	0	120.9
1012	D	30.3	Very low	30.1	Very low	134 Å²	134	122.8 Å²	122.8	72%	0.717	75%	0.75	S	S	*	*			cis	-166.8	162.3	-33.8	-158.5	3.6	0	0	0	112.7
1013	T	32.7	Very low	30.2	Very low	97 Å²	97	121.1 Å²	121.1	60%	0.595	75%	0.747	S	S	*	*			trans	74	151	153.3	74.5	0	0	0	0	125.6
1014	N	30.8	Very low	31.3	Very low	158 Å²	158	123.1 Å²	123.1	85%	0.845	75%	0.754	S	S	*	*			trans	87.2	131.9	140.2	-75.9	-46.2	0	0	0	123.1
1015	G	25.9	Very low	31.6	Very low	65 Å²	65	122.9 Å²	122.9	67%	0.67	75%	0.752	S	S	*	*			trans	-174.2	-4	174.2	0	0	0	0	0	126.6
1016	T	26.6	Very low	31.8	Very low	149 Å²	149	123.7 Å²	123.7	91%	0.914	76%	0.758	S	S	*	*			trans	69.8	155.2	166	38.2	0	0	0	0	123.7
1017	P	52	Low	32	Very low	114 Å²	114	126.8 Å²	126.8	74%	0.74	77%	0.766	S	S	*	*			trans	-116.5	-149.2	-166.3	41.6	-22.5	0	0	0	112.7
1018	P	50	Low	33.2	Very low	129 Å²	129	124.3 Å²	124.3	84%	0.838	76%	0.763	S	S	*	*			cis	-144	-174.1	-0.9	45.3	-25.3	0	0	0	119
1019	G	27.1	Very low	33.3	Very low	65 Å²	65	128.8 Å²	128.8	67%	0.67	77%	0.773	S	S	*	*			trans	148	168.1	156.6	0	0	0	0	0	116.1
1020	T	28.6	Very low	33.7	Very low	142 Å²	142	132 Å²	132	87%	0.871	78%	0.777	S	S	*	*			cis	-173	137.9	-25.7	8.7	0	0	0	0	112.4
1021	A	30	Very low	33.8	Very low	92 Å²	92	136.2 Å²	136.2	76%	0.76	79%	0.786	S	S	*	*			trans	57.5	146	157.6	0	0	0	0	0	121.6
1022	E	26.4	Very low	33.9	Very low	170 Å²	170	134.2 Å²	134.2	79%	0.794	78%	0.781	S	S	*	*			cis	-163.6	130.1	-7.3	-120	-175.9	171.7	0	0	115.1
1023	T	27	Very low	33.8	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	79%	0.79	S	S	*	*			trans	47.5	171.9	143.8	59.1	0	0	0	0	124.2
1024	P	50	Low	33.8	Very low	116 Å²	116	133.6 Å²	133.6	75%	0.753	80%	0.796	S	S	*	*			cis	-115.4	158.8	-9.6	20.4	3.2	0	0	0	114.5
1025	V	27.9	Very low	34.1	Very low	126 Å²	126	136.3 Å²	136.3	76%	0.764	80%	0.8	S	S	*	*			cis	83.4	133.2	48.2	171.2	0	0	0	0	113
1026	P	45	Very low	34.6	Very low	125 Å²	125	140.7 Å²	140.7	81%	0.812	81%	0.809	S	S	*	*			cis	-133.9	-171	30.5	34.6	-11.1	0	0	0	119.7
1027	L	31.1	Very low	35.9	Very low	163 Å²	163	141 Å²	141	85%	0.853	80%	0.797	S	S	*	*			trans	-120.2	174.9	-168	-101.1	165.3	0	0	0	111.7
1028	P	49.4	Very low	36.7	Very low	106 Å²	106	140.4 Å²	140.4	69%	0.688	79%	0.792	S	S	*	*				-145.9	-171	50.1	43.2	-20.9	0	0	0	115.8
1029	R	28.3	Very low	38.5	Very low	242 Å²	242	138.7 Å²	138.7	91%	0.913	77%	0.768	S	S	*	*			cis	-156	163	14.2	-141.1	163.1	-154.7	171.2	5.2	111
1030	K	32.1	Very low	41.7	Very low	191 Å²	191	138.3 Å²	138.3	83%	0.83	75%	0.747	S	S	*	*			trans	-96.9	157.2	-175	-60.6	-179.7	175.6	-175.5	0	115.7
1031	I	31	Very low	44.8	Very low	173 Å²	173	131.6 Å²	131.6	89%	0.887	71%	0.705	S	S	*	*			trans	-141.6	161.2	136.1	-66.5	-165.3	0	0	0	109.1
1032	N	28.8	Very low	47.9	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	69%	0.689	S	S	*	*			trans	-83.5	157.7	-167.2	-56.9	-25.5	0	0	0	116.7
1033	T	30.1	Very low	51	Low	149 Å²	149	123.8 Å²	123.8	91%	0.914	65%	0.652	S	S	*	*			trans	-135.3	165.7	144.4	44.6	0	0	0	0	110.8
1034	G	30.7	Very low	54.1	Low	69 Å²	69	121.2 Å²	121.2	71%	0.711	63%	0.633	S	S	*	*			trans	-91.7	-178.1	-172.4	0	0	0	0	0	115.5	N1036	G1034-N1036 PolarHBondContact O-N 2.96Å
1035	K	37.5	Very low	55.7	Low	215 Å²	215	121.9 Å²	121.9	94%	0.935	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-74.6	118.9	179.8	-58.2	177	-178	-179.3	0	111.1
1036	N	36.4	Very low	58.3	Low	158 Å²	158	121.1 Å²	121.1	85%	0.845	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-89.5	144.8	163.1	-74.4	-6.5	0	0	0	110.2	G1034	G1034-N1036 PolarHBondContact O-N 2.96Å
1037	K	53.9	Low	60.2	Low	154 Å²	154	116.4 Å²	116.4	67%	0.67	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.5	158.2	-80.7	-172.9	164.5	-173.5	0	108.1	R1039 D1098	K1037-R1039 PolarHBondContact O-N 3.46Å; K1037-D1098 PolarHBondContact NZ-O 2.82Å; K1037-D1098 PolarHBondContact NZ-OXT 3.03Å
1038	T	69.3	Low	62.8	Low	102 Å²	102	116.9 Å²	116.9	63%	0.626	58%	0.581	S	S	*	*			trans	-65.7	115.1	162	38.8	0	0	0	0	108.4
1039	R	87.7	Confident	64.3	Low	93 Å²	93	113.3 Å²	113.3	35%	0.351	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	131.5	177	-173.5	-171.4	-59.9	152.3	8.7	108.5	K1037 V1065 E1068 I1095	K1037-R1039 PolarHBondContact O-N 3.46Å; R1039-V1065 HydrophobicContact CB-CB 4.16Å; R1039-V1065 HydrophobicContact CB-CG2 4.26Å; R1039-V1065 HydrophobicContact CG-CG2 4.31Å; R1039-V1065 WeakPolarHBondContact O-CB 3.49Å; R1039-V1065 WeakPolarHBondContact O-CG2 3.23Å; R1039-V1065 PolarHBondContact O-N 2.93Å; R1039-E1068 IonicContact CZ-OE1 2.65Å; R1039-E1068 IonicContact NH1-OE1 2.63Å; R1039-E1068 PolarHBondContact NH1-OE1 2.78Å; R1039-E1068 IonicContact NH2-OE1 3.39Å; R1039-E1068 PolarHBondContact NH2-OE1 3.44Å; R1039-I1095 HydrophobicContact CG-CG2 4.18Å
1040	R	93.6	Very high	66	Low	58 Å²	58	106.4 Å²	106.4	22%	0.219	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.6	174.3	-75.9	165.7	66.4	-118.7	4.4	109.6	V1062 I1064 E1079 L1096 D1098	R1040-V1062 HydrophobicContact CB-CG1 4.28Å; R1040-I1064 HydrophobicContact CG-CG1 4.01Å; R1040-E1079 WeakPolarHBondContact CD-OE1 3.37Å; R1040-E1079 IonicContact CZ-OE1 2.72Å; R1040-E1079 IonicContact CZ-OE2 2.68Å; R1040-E1079 IonicContact NE-OE1 2.82Å; R1040-E1079 PolarHBondContact NE-OE1 2.57Å; R1040-E1079 IonicContact NE-OE2 3.34Å; R1040-E1079 PolarHBondContact NE-OE2 2.85Å; R1040-E1079 IonicContact NH2-OE1 3.07Å; R1040-E1079 IonicContact NH2-OE2 2.69Å; R1040-E1079 PolarHBondContact NH2-OE2 2.69Å; R1040-L1096 HydrophobicContact CB-CB 4.28Å; R1040-L1096 HydrophobicContact CB-CD1 4.4Å; R1040-L1096 PolarHBondContact O-N 2.77Å; R1040-D1098 WeakPolarHBondContact CD-OD2 3.48Å; R1040-D1098 IonicContact CZ-OD2 3.05Å; R1040-D1098 IonicContact NE-OD2 2.8Å; R1040-D1098 VanDerWaalsContact NH1-CG 3.26Å; R1040-D1098 IonicContact NH1-OD1 2.86Å; R1040-D1098 PolarHBondContact NH1-OD1 3.08Å; R1040-D1098 IonicContact NH1-OD2 2.68Å; R1040-D1098 PolarHBondContact NH1-OD2 3.33Å
1041	V	94.2	Very high	67.9	Low	0 Å²	0	101.5 Å²	101.5	0%	0	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.6	178.6	-54.6	0	0	0	0	109.2	V1062 I1063 V1065 W1074 F1088 V1093 H1094 I1095	V1041-V1062 CarbonylContact O-C 3.37Å; V1041-V1062 WeakPolarHBondContact O-CA 3.33Å; V1041-V1062 WeakPolarHBondContact O-CG1 3.48Å; V1041-I1063 HydrophobicContact CG2-CB 3.75Å; V1041-I1063 HydrophobicContact CG2-CG2 4.42Å; V1041-I1063 PolarHBondContact N-O 3.2Å; V1041-I1063 PolarHBondContact O-N 3.43Å; V1041-V1065 HydrophobicContact CG1-CG2 3.69Å; V1041-V1065 HydrophobicContact CG2-CG2 4.16Å; V1041-W1074 HydrophobicContact CG1-CE3 4.3Å; V1041-W1074 HydrophobicContact CG1-CZ3 3.82Å; V1041-F1088 HydrophobicContact CG2-CE2 4.18Å; V1041-F1088 HydrophobicContact CG2-CZ 4.23Å; V1041-V1093 HydrophobicContact CB-CB 3.85Å; V1041-V1093 HydrophobicContact CB-CG1 4.47Å; V1041-V1093 HydrophobicContact CB-CG2 3.92Å; V1041-V1093 HydrophobicContact CG1-CG2 4.19Å; V1041-V1093 HydrophobicContact CG2-CB 3.73Å; V1041-V1093 HydrophobicContact CG2-CG1 3.81Å; V1041-V1093 HydrophobicContact CG2-CG2 3.85Å; V1041-H1094 CarbonylContact C-O 3.55Å; V1041-H1094 VanDerWaalsContact CA-O 3.27Å; V1041-H1094 WeakPolarHBondContact CA-O 3.43Å; V1041-I1095 HydrophobicContact CG1-CG1 4.33Å
1042	K	94.3	Very high	70	Confident	97 Å²	97	101.9 Å²	101.9	42%	0.422	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.8	174.7	-175.2	177.4	175.9	-177.2	0	109.4	G1060 E1061 V1093 H1094 L1096	K1042-G1060 VanDerWaalsContact CE-CA 3.43Å; K1042-G1060 WeakPolarHBondContact CE-O 3.44Å; K1042-E1061 CarbonylContact C-O 3.46Å; K1042-E1061 WeakPolarHBondContact CA-O 3.36Å; K1042-V1093 CarbonylContact O-C 3.51Å; K1042-V1093 WeakPolarHBondContact O-CA 3.44Å; K1042-H1094 PolarHBondContact N-O 3.12Å; K1042-H1094 PolarHBondContact O-N 2.91Å; K1042-L1096 HydrophobicContact CB-CD1 4.2Å; K1042-L1096 HydrophobicContact CB-CD2 3.93Å; K1042-L1096 HydrophobicContact CB-CG 4.08Å
1043	T	93.2	Very high	72.5	Confident	2 Å²	2	99 Å²	99	1%	0.012	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.6	178	59.4	0	0	0	0	110.1	F1057 V1058 G1060 E1061 I1063 V1093	T1043-F1057 HydrophobicContact CG2-CB 4.09Å; T1043-F1057 HydrophobicContact CG2-CD1 4.5Å; T1043-F1057 HydrophobicContact CG2-CD2 3.15Å; T1043-F1057 HydrophobicContact CG2-CE2 3.53Å; T1043-F1057 HydrophobicContact CG2-CG 3.68Å; T1043-F1057 HydrophobicContact CG2-CZ 4.36Å; T1043-V1058 PolarHBondContact OG1-O 3.21Å; T1043-G1060 PolarHBondContact O-N 3.07Å; T1043-G1060 PolarHBondContact OG1-N 3.4Å; T1043-E1061 HydrophobicContact CG2-CB 4.4Å; T1043-E1061 PolarHBondContact N-O 3.28Å; T1043-E1061 PolarHBondContact OG1-N 2.95Å; T1043-E1061 PolarHBondContact OG1-O 3.42Å; T1043-E1061 VanDerWaalsContact OG1-O 3.14Å; T1043-I1063 HydrophobicContact CG2-CD1 3.54Å; T1043-I1063 HydrophobicContact CG2-CG1 4.05Å; T1043-V1093 HydrophobicContact CG2-CG1 4.23Å
1044	I	90.7	Very high	75.3	Confident	62 Å²	62	94 Å²	94	32%	0.318	48%	0.479	S	S	.	.	S	Bend	trans	-114.9	-1.5	-179.9	56.9	163.3	0	0	0	113.4	F1092 H1094	I1044-F1092 VanDerWaalsContact CG1-O 3.31Å; I1044-F1092 WeakPolarHBondContact CG1-O 3.32Å; I1044-F1092 PolarHBondContact N-O 2.82Å; I1044-H1094 HydrophobicContact CG2-CB 3.84Å
1045	Y	84.7	Confident	78.1	Confident	130 Å²	130	91 Å²	91	51%	0.51	45%	0.446	S	S	.	.	S	Bend	trans	-146.4	159.2	169.6	-53.8	-65.2	0	0	0	109.2	F1057 F1092	Y1045-F1057 WeakPolarHBondContact O-CE2 3.42Å; Y1045-F1092 HydrophobicContact CD2-CD1 4.2Å; Y1045-F1092 HydrophobicContact CD2-CG 4.2Å; Y1045-F1092 HydrophobicContact CG-CD1 4.5Å
1046	D	83	Confident	80.6	Confident	109 Å²	109	83.9 Å²	83.9	58%	0.583	42%	0.421	S	S	*	.			trans	-65.1	142	163.8	-71.8	-15.9	0	0	0	110.9	V1058 E1059	D1046-V1058 WeakPolarHBondContact OD1-CA 3.5Å; D1046-V1058 WeakPolarHBondContact OD1-CB 3.41Å; D1046-E1059 PolarHBondContact OD1-N 3.13Å
1047	C	83.6	Confident	83.2	Confident	26 Å²	26	76.5 Å²	76.5	18%	0.176	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-137.4	121.4	173.5	-166.5	0	0	0	0	110.5	T1056 F1057 F1092	C1047-T1056 WeakPolarHBondContact O-CA 3.38Å; C1047-F1057 HydrophobicContact CB-CD1 3.9Å; C1047-F1057 HydrophobicContact CB-CD2 3.76Å; C1047-F1057 HydrophobicContact CB-CE1 3.45Å; C1047-F1057 VanDerWaalsContact CB-CE1 3.45Å; C1047-F1057 HydrophobicContact CB-CE2 3.34Å; C1047-F1057 HydrophobicContact CB-CG 4.07Å; C1047-F1057 HydrophobicContact CB-CZ 3.18Å; C1047-F1057 PolarHBondContact N-O 3.29Å; C1047-F1057 PolarHBondContact O-N 3.33Å; C1047-F1057 VanDerWaalsContact O-O 3.04Å; C1047-F1092 HydrophobicContact CB-CD1 4Å; C1047-F1092 HydrophobicContact CB-CE1 4.36Å
1048	Q	86.3	Confident	85	Confident	174 Å²	174	73 Å²	73	81%	0.813	37%	0.373	S	S	*	.			trans	-106.7	123.2	174.4	-172.6	171.4	20.3	0	0	109.4
1049	A	81.1	Confident	86.1	Confident	30 Å²	30	74.4 Å²	74.4	25%	0.248	37%	0.372	C	S	.	.			trans	-62.2	132.9	-179.1	0	0	0	0	0	112.2	E1054 T1056	A1049-E1054 HydrophobicContact CB-CB 3.64Å; A1049-E1054 WeakPolarHBondContact CB-O 3.17Å; A1049-T1056 WeakPolarHBondContact CB-OG1 3.42Å; A1049-T1056 PolarHBondContact N-OG1 2.92Å
1050	D	63	Low	86	Confident	97 Å²	97	71.5 Å²	71.5	52%	0.519	37%	0.372	S	S	.	.	S	Bend	trans	-93.7	-14.8	174.9	-146.1	-21.2	0	0	0	111.2	R343 E1054	R343-D1050 IonicContact CZ-OD1 2.63Å; R343-D1050 IonicContact NH1-OD1 2.66Å; R343-D1050 PolarHBondContact NH1-OD1 3.01Å; R343-D1050 IonicContact NH2-OD1 2.65Å; R343-D1050 PolarHBondContact NH2-OD1 3Å; R343-D1050 IonicContact NH2-OD2 2.91Å; R343-D1050 PolarHBondContact NH2-OD2 3.01Å; D1050-E1054 PolarHBondContact N-OE2 2.74Å
1051	N	73.4	Confident	86	Confident	88 Å²	88	70.8 Å²	70.8	47%	0.471	37%	0.371	S	S	.	.	S	Bend	trans	-135.7	157.4	177.3	-58.4	-79.5	0	0	0	112.8	D1053 E1054	N1051-D1053 VanDerWaalsContact CB-OD1 3.28Å; N1051-D1053 WeakPolarHBondContact CB-OD1 3.45Å; N1051-D1053 PolarHBondContact O-N 3.23Å; N1051-D1053 VanDerWaalsContact O-N 3.13Å; N1051-E1054 HydrophobicContact CB-CG 4.45Å; N1051-E1054 PolarHBondContact N-OE2 2.75Å; N1051-E1054 PolarHBondContact ND2-OE1 2.88Å; N1051-E1054 PolarHBondContact O-N 2.94Å; N1051-E1054 VanDerWaalsContact O-N 3.16Å
1052	D	74	Confident	86	Confident	181 Å²	181	72.1 Å²	72.1	97%	0.968	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.3	-175.9	-62.8	-39.5	0	0	0	114.5
1053	D	82.7	Confident	86	Confident	84 Å²	84	67.5 Å²	67.5	45%	0.449	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.1	177.8	39.4	-1.8	0	0	0	114.2	N1051 G1086 V1087	N1051-D1053 VanDerWaalsContact CB-OD1 3.28Å; N1051-D1053 WeakPolarHBondContact CB-OD1 3.45Å; N1051-D1053 PolarHBondContact O-N 3.23Å; N1051-D1053 VanDerWaalsContact O-N 3.13Å; D1053-G1086 CarbonylContact O-C 3.58Å; D1053-G1086 WeakPolarHBondContact O-CA 3.11Å; D1053-V1087 PolarHBondContact O-N 3Å
1054	E	88.4	Confident	86.1	Confident	46 Å²	46	69 Å²	69	22%	0.215	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-91.2	147.4	175.9	-72.9	162.1	-157.8	0	0	112.4	A1049 D1050 N1051 W1073 V1087	A1049-E1054 HydrophobicContact CB-CB 3.64Å; A1049-E1054 WeakPolarHBondContact CB-O 3.17Å; D1050-E1054 PolarHBondContact N-OE2 2.74Å; N1051-E1054 HydrophobicContact CB-CG 4.45Å; N1051-E1054 PolarHBondContact N-OE2 2.75Å; N1051-E1054 PolarHBondContact ND2-OE1 2.88Å; N1051-E1054 PolarHBondContact O-N 2.94Å; N1051-E1054 VanDerWaalsContact O-N 3.16Å; E1054-W1073 HydrophobicContact CG-CZ3 4.45Å; E1054-V1087 CarbonylContact C-O 3.55Å; E1054-V1087 WeakPolarHBondContact CA-O 3.44Å; E1054-V1087 HydrophobicContact CB-CG2 4.36Å; E1054-V1087 HydrophobicContact CG-CG2 3.67Å
1055	L	88.2	Confident	86.2	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-88.7	119.8	-179.3	-176.3	56.6	0	0	0	111.4	F1057 I1063 I1078 R1084 V1087 F1088	L1055-F1057 HydrophobicContact CB-CD1 4.42Å; L1055-F1057 HydrophobicContact CD2-CD1 4.47Å; L1055-F1057 HydrophobicContact CG-CD1 4.09Å; L1055-F1057 VanDerWaalsContact O-CD1 3.22Å; L1055-F1057 WeakPolarHBondContact O-CD1 3.34Å; L1055-F1057 WeakPolarHBondContact O-CE1 3.4Å; L1055-I1063 HydrophobicContact CD2-CD1 3.96Å; L1055-I1063 HydrophobicContact CD2-CG1 4.06Å; L1055-I1063 HydrophobicContact CD2-CG2 4.07Å; L1055-I1078 HydrophobicContact CD1-CD1 4.3Å; L1055-I1078 HydrophobicContact CD1-CG1 4.28Å; L1055-I1078 HydrophobicContact CD2-CD1 4.18Å; L1055-I1078 HydrophobicContact CG-CD1 4.4Å; L1055-R1084 HydrophobicContact CD1-CB 4.25Å; L1055-R1084 VanDerWaalsContact CD1-O 3.29Å; L1055-R1084 WeakPolarHBondContact CD1-O 3.22Å; L1055-V1087 PolarHBondContact N-O 2.96Å; L1055-F1088 HydrophobicContact CB-CB 4.44Å; L1055-F1088 HydrophobicContact CD2-CD1 4.24Å
1056	T	90.4	Very high	86.4	Confident	67 Å²	67	64.9 Å²	64.9	41%	0.411	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-84	127.4	168.6	-64.3	0	0	0	0	111	C1047 A1049 R1084	C1047-T1056 WeakPolarHBondContact O-CA 3.38Å; A1049-T1056 WeakPolarHBondContact CB-OG1 3.42Å; A1049-T1056 PolarHBondContact N-OG1 2.92Å; T1056-R1084 PolarHBondContact O-NH2 3.36Å
1057	F	92.7	Very high	86.5	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.009	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-147.3	157.6	179.2	54.6	-94.7	0	0	0	112.5	T1043 Y1045 C1047 L1055 E1061 I1063 I1078 F1088 F1092	T1043-F1057 HydrophobicContact CG2-CB 4.09Å; T1043-F1057 HydrophobicContact CG2-CD1 4.5Å; T1043-F1057 HydrophobicContact CG2-CD2 3.15Å; T1043-F1057 HydrophobicContact CG2-CE2 3.53Å; T1043-F1057 HydrophobicContact CG2-CG 3.68Å; T1043-F1057 HydrophobicContact CG2-CZ 4.36Å; Y1045-F1057 WeakPolarHBondContact O-CE2 3.42Å; C1047-F1057 HydrophobicContact CB-CD1 3.9Å; C1047-F1057 HydrophobicContact CB-CD2 3.76Å; C1047-F1057 HydrophobicContact CB-CE1 3.45Å; C1047-F1057 VanDerWaalsContact CB-CE1 3.45Å; C1047-F1057 HydrophobicContact CB-CE2 3.34Å; C1047-F1057 HydrophobicContact CB-CG 4.07Å; C1047-F1057 HydrophobicContact CB-CZ 3.18Å; C1047-F1057 PolarHBondContact N-O 3.29Å; C1047-F1057 PolarHBondContact O-N 3.33Å; C1047-F1057 VanDerWaalsContact O-O 3.04Å; L1055-F1057 HydrophobicContact CB-CD1 4.42Å; L1055-F1057 HydrophobicContact CD2-CD1 4.47Å; L1055-F1057 HydrophobicContact CG-CD1 4.09Å; L1055-F1057 VanDerWaalsContact O-CD1 3.22Å; L1055-F1057 WeakPolarHBondContact O-CD1 3.34Å; L1055-F1057 WeakPolarHBondContact O-CE1 3.4Å; F1057-E1061 WeakPolarHBondContact CA-OE2 3.45Å; F1057-E1061 WeakPolarHBondContact CB-OE2 3.44Å; F1057-I1063 HydrophobicContact CD1-CD1 3.89Å; F1057-I1063 HydrophobicContact CE1-CD1 4.1Å; F1057-I1063 HydrophobicContact CG-CD1 4.14Å; F1057-I1063 HydrophobicContact CZ-CD1 4.5Å; F1057-I1078 HydrophobicContact CB-CD1 3.97Å; F1057-F1088 HydrophobicContact CE1-CB 3.64Å; F1057-F1088 HydrophobicContact CE1-CG 4.37Å; F1057-F1088 HydrophobicContact CZ-CB 4.29Å; F1057-F1092 HydrophobicContact CE2-CB 4.15Å; F1057-F1092 HydrophobicContact CE2-CD1 4.48Å; F1057-F1092 HydrophobicContact CZ-CB 3.91Å; F1057-F1092 HydrophobicContact CZ-CD1 4.46Å
1058	V	91.4	Very high	86.6	Confident	80 Å²	80	65 Å²	65	49%	0.485	36%	0.359	S	S	.	.			trans	-105.4	160.9	171.8	-61.6	0	0	0	0	111.4	T1043 D1046 G1060 E1061	T1043-V1058 PolarHBondContact OG1-O 3.21Å; D1046-V1058 WeakPolarHBondContact OD1-CA 3.5Å; D1046-V1058 WeakPolarHBondContact OD1-CB 3.41Å; V1058-G1060 PolarHBondContact O-N 2.59Å; V1058-E1061 HydrophobicContact CG2-CG 3.77Å; V1058-E1061 PolarHBondContact N-OE2 2.69Å; V1058-E1061 PolarHBondContact O-N 2.92Å
1059	E	91.9	Very high	85.8	Confident	132 Å²	132	62.4 Å²	62.4	62%	0.617	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	132.1	175.6	-171.3	-173.7	150.6	0	0	111	D1046	D1046-E1059 PolarHBondContact OD1-N 3.13Å
1060	G	85.4	Confident	85.6	Confident	33 Å²	33	65.1 Å²	65.1	34%	0.34	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-12.4	177.2	0	0	0	0	0	116.3	K1042 T1043 V1058	K1042-G1060 VanDerWaalsContact CE-CA 3.43Å; K1042-G1060 WeakPolarHBondContact CE-O 3.44Å; T1043-G1060 PolarHBondContact O-N 3.07Å; T1043-G1060 PolarHBondContact OG1-N 3.4Å; V1058-G1060 PolarHBondContact O-N 2.59Å
1061	E	93.8	Very high	86.1	Confident	43 Å²	43	68.8 Å²	68.8	20%	0.201	37%	0.371	C	S	.	.			trans	-61.8	153.4	168.3	-70.8	-169.4	113.3	0	0	111.6	K1042 T1043 F1057 V1058 R1084	K1042-E1061 CarbonylContact C-O 3.46Å; K1042-E1061 WeakPolarHBondContact CA-O 3.36Å; T1043-E1061 HydrophobicContact CG2-CB 4.4Å; T1043-E1061 PolarHBondContact N-O 3.28Å; T1043-E1061 PolarHBondContact OG1-N 2.95Å; T1043-E1061 PolarHBondContact OG1-O 3.42Å; T1043-E1061 VanDerWaalsContact OG1-O 3.14Å; F1057-E1061 WeakPolarHBondContact CA-OE2 3.45Å; F1057-E1061 WeakPolarHBondContact CB-OE2 3.44Å; V1058-E1061 HydrophobicContact CG2-CG 3.77Å; V1058-E1061 PolarHBondContact N-OE2 2.69Å; V1058-E1061 PolarHBondContact O-N 2.92Å; E1061-R1084 IonicContact OE1-CZ 2.75Å; E1061-R1084 IonicContact OE1-NH1 2.73Å; E1061-R1084 PolarHBondContact OE1-NH1 2.98Å; E1061-R1084 IonicContact OE1-NH2 2.97Å; E1061-R1084 PolarHBondContact OE1-NH2 2.98Å; E1061-R1084 IonicContact OE2-CZ 3.72Å; E1061-R1084 IonicContact OE2-NH1 3.47Å; E1061-R1084 IonicContact OE2-NH2 3.91Å; E1061-R1084 PolarHBondContact OE2-NH2 3.12Å
1062	V	94.3	Very high	86.4	Confident	28 Å²	28	71.2 Å²	71.2	17%	0.17	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.1	173.5	179.1	0	0	0	0	108.8	R1040 V1041 E1079 L1096	R1040-V1062 HydrophobicContact CB-CG1 4.28Å; V1041-V1062 CarbonylContact O-C 3.37Å; V1041-V1062 WeakPolarHBondContact O-CA 3.33Å; V1041-V1062 WeakPolarHBondContact O-CG1 3.48Å; V1062-E1079 HydrophobicContact CB-CB 3.92Å; V1062-E1079 HydrophobicContact CG1-CB 4.05Å; V1062-E1079 WeakPolarHBondContact CG1-OE2 3.45Å; V1062-E1079 WeakPolarHBondContact O-CB 3.09Å; V1062-E1079 PolarHBondContact O-N 2.83Å; V1062-L1096 HydrophobicContact CG1-CD1 3.93Å; V1062-L1096 HydrophobicContact CG2-CD1 4Å
1063	I	94.9	Very high	87	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.6	175	-60.1	163.9	0	0	0	108.4	V1041 T1043 L1055 F1057 H1077 I1078 F1088 V1093	V1041-I1063 HydrophobicContact CG2-CB 3.75Å; V1041-I1063 HydrophobicContact CG2-CG2 4.42Å; V1041-I1063 PolarHBondContact N-O 3.2Å; V1041-I1063 PolarHBondContact O-N 3.43Å; T1043-I1063 HydrophobicContact CG2-CD1 3.54Å; T1043-I1063 HydrophobicContact CG2-CG1 4.05Å; L1055-I1063 HydrophobicContact CD2-CD1 3.96Å; L1055-I1063 HydrophobicContact CD2-CG1 4.06Å; L1055-I1063 HydrophobicContact CD2-CG2 4.07Å; F1057-I1063 HydrophobicContact CD1-CD1 3.89Å; F1057-I1063 HydrophobicContact CE1-CD1 4.1Å; F1057-I1063 HydrophobicContact CG-CD1 4.14Å; F1057-I1063 HydrophobicContact CZ-CD1 4.5Å; I1063-H1077 WeakPolarHBondContact CA-O 3.48Å; I1063-I1078 HydrophobicContact CG1-CD1 4.11Å; I1063-F1088 HydrophobicContact CD1-CD1 4.41Å; I1063-F1088 HydrophobicContact CD1-CD2 4.22Å; I1063-F1088 HydrophobicContact CD1-CE2 4.32Å; I1063-F1088 HydrophobicContact CD1-CG 4.27Å; I1063-F1088 HydrophobicContact CD1-CZ 4.46Å; I1063-F1088 HydrophobicContact CG2-CD1 4.29Å; I1063-F1088 HydrophobicContact CG2-CE1 3.6Å; I1063-F1088 HydrophobicContact CG2-CZ 3.79Å; I1063-V1093 HydrophobicContact CD1-CG1 4.16Å
1064	I	94.1	Very high	87.4	Confident	32 Å²	32	63.2 Å²	63.2	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.6	168.6	-66.2	163.9	0	0	0	107.5	R1040 T1066 G1076 H1077 E1079	R1040-I1064 HydrophobicContact CG-CG1 4.01Å; I1064-T1066 PolarHBondContact O-N 3.3Å; I1064-G1076 WeakPolarHBondContact O-CA 3.44Å; I1064-H1077 PolarHBondContact N-O 3Å; I1064-H1077 PolarHBondContact O-N 2.95Å; I1064-H1077 VanDerWaalsContact O-N 3.16Å; I1064-E1079 HydrophobicContact CD1-CB 4.21Å; I1064-E1079 HydrophobicContact CD1-CG 4.2Å; I1064-E1079 HydrophobicContact CG1-CB 4.34Å
1065	V	92.9	Very high	87.6	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.097	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	118.9	179.8	-167.7	0	0	0	0	109.1	R1039 V1041 G1067 W1074 F1088	R1039-V1065 HydrophobicContact CB-CB 4.16Å; R1039-V1065 HydrophobicContact CB-CG2 4.26Å; R1039-V1065 HydrophobicContact CG-CG2 4.31Å; R1039-V1065 WeakPolarHBondContact O-CB 3.49Å; R1039-V1065 WeakPolarHBondContact O-CG2 3.23Å; R1039-V1065 PolarHBondContact O-N 2.93Å; V1041-V1065 HydrophobicContact CG1-CG2 3.69Å; V1041-V1065 HydrophobicContact CG2-CG2 4.16Å; V1065-G1067 VanDerWaalsContact CG1-O 3.31Å; V1065-G1067 WeakPolarHBondContact CG1-O 3.19Å; V1065-W1074 HydrophobicContact CG1-CB 4.3Å; V1065-W1074 HydrophobicContact CG1-CD2 4.4Å; V1065-W1074 HydrophobicContact CG1-CE3 4.11Å; V1065-W1074 HydrophobicContact CG2-CE3 3.92Å; V1065-W1074 HydrophobicContact CG2-CZ3 4.3Å; V1065-F1088 HydrophobicContact CG2-CZ 4.27Å
1066	T	89.3	Confident	87.8	Confident	91 Å²	91	63.7 Å²	63.7	56%	0.558	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	-19.6	-179.9	60.8	0	0	0	0	113	I1064 I1075	I1064-T1066 PolarHBondContact O-N 3.3Å; T1066-I1075 WeakPolarHBondContact CA-O 3.49Å; T1066-I1075 PolarHBondContact N-O 3.39Å; T1066-I1075 PolarHBondContact OG1-O 3.38Å
1067	G	84.7	Confident	88	Confident	25 Å²	25	62.5 Å²	62.5	26%	0.258	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	172.5	175.7	0	0	0	0	0	112.7	V1065 I1075	V1065-G1067 VanDerWaalsContact CG1-O 3.31Å; V1065-G1067 WeakPolarHBondContact CG1-O 3.19Å; G1067-I1075 PolarHBondContact N-O 3.06Å; G1067-I1075 PolarHBondContact O-N 3.04Å
1068	E	85.3	Confident	88.1	Confident	111 Å²	111	62.8 Å²	62.8	52%	0.519	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128	170.5	-58.5	175.3	-174	0	0	105.6	R1039 W1074	R1039-E1068 IonicContact CZ-OE1 2.65Å; R1039-E1068 IonicContact NH1-OE1 2.63Å; R1039-E1068 PolarHBondContact NH1-OE1 2.78Å; R1039-E1068 IonicContact NH2-OE1 3.39Å; R1039-E1068 PolarHBondContact NH2-OE1 3.44Å; E1068-W1074 HydrophobicContact CG-CG 4.29Å
1069	E	69.9	Low	88.1	Confident	120 Å²	120	62.7 Å²	62.7	56%	0.561	32%	0.319	S	S	*	.	S	Bend	trans	-92.4	-43.3	178.9	-172.3	159.1	-160.4	0	0	110.9	W1073 I1075 V1087	E1069-W1073 PolarHBondContact N-O 2.97Å; E1069-I1075 HydrophobicContact CB-CD1 4.13Å; E1069-I1075 HydrophobicContact CB-CG1 4.14Å; E1069-V1087 WeakPolarHBondContact OE2-CG1 3.4Å
1070	D	77.9	Confident	87.8	Confident	88 Å²	88	60.3 Å²	60.3	47%	0.471	33%	0.33	S	S	.	.	S	Bend	trans	-144.4	-157.8	164.6	66.5	33.4	0	0	0	111.5	E1072 W1073	D1070-E1072 VanDerWaalsContact C-N 3.35Å; D1070-E1072 WeakPolarHBondContact OD1-CA 3.28Å; D1070-E1072 PolarHBondContact OD1-N 2.99Å; D1070-W1073 PolarHBondContact N-O 2.79Å; D1070-W1073 PolarHBondContact OD1-N 2.94Å
1071	Q	72	Confident	87.9	Confident	174 Å²	174	61.5 Å²	61.5	81%	0.813	33%	0.328	S	S	*	.	S	Bend	trans	-78	-18.2	-178.2	-65.5	-175.6	-5.6	0	0	113.5	M1090	Q1071-M1090 VanDerWaalsContact O-CE 3.25Å; Q1071-M1090 WeakPolarHBondContact O-CE 3.42Å
1072	E	80.6	Confident	87.5	Confident	139 Å²	139	63 Å²	63	65%	0.65	34%	0.342	S	S	*	.	S	Bend	trans	-111.1	-24.7	-178.9	-62.6	-173.6	165.2	0	0	112.2	D1070 P1089 M1090	D1070-E1072 VanDerWaalsContact C-N 3.35Å; D1070-E1072 WeakPolarHBondContact OD1-CA 3.28Å; D1070-E1072 PolarHBondContact OD1-N 2.99Å; E1072-P1089 CarbonylContact O-C 3.56Å; E1072-P1089 WeakPolarHBondContact O-CA 3.39Å; E1072-M1090 PolarHBondContact O-N 2.87Å
1073	W	86.9	Confident	87	Confident	88 Å²	88	68 Å²	68	33%	0.333	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.8	-176.4	-69.1	82.7	0	0	0	113.8	E1054 E1069 D1070 V1087 P1089	E1054-W1073 HydrophobicContact CG-CZ3 4.45Å; E1069-W1073 PolarHBondContact N-O 2.97Å; D1070-W1073 PolarHBondContact N-O 2.79Å; D1070-W1073 PolarHBondContact OD1-N 2.94Å; W1073-V1087 HydrophobicContact CE3-CB 4.32Å; W1073-V1087 HydrophobicContact CE3-CG2 3.92Å; W1073-V1087 HydrophobicContact CZ3-CG2 4.14Å; W1073-P1089 HydrophobicContact CH2-CB 4.42Å; W1073-P1089 HydrophobicContact CH2-CG 4.38Å; W1073-P1089 HydrophobicContact CZ2-CB 4.35Å; W1073-P1089 HydrophobicContact CZ3-CG 4.48Å
1074	W	91.4	Very high	86.8	Confident	9 Å²	9	72 Å²	72	3%	0.034	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	157.1	179.4	-71.1	2.6	0	0	0	111.2	V1041 V1065 E1068 V1087 F1088 M1090 I1095	V1041-W1074 HydrophobicContact CG1-CE3 4.3Å; V1041-W1074 HydrophobicContact CG1-CZ3 3.82Å; V1065-W1074 HydrophobicContact CG1-CB 4.3Å; V1065-W1074 HydrophobicContact CG1-CD2 4.4Å; V1065-W1074 HydrophobicContact CG1-CE3 4.11Å; V1065-W1074 HydrophobicContact CG2-CE3 3.92Å; V1065-W1074 HydrophobicContact CG2-CZ3 4.3Å; E1068-W1074 HydrophobicContact CG-CG 4.29Å; W1074-V1087 CarbonylContact O-C 3.54Å; W1074-V1087 VanDerWaalsContact O-CA 3.32Å; W1074-V1087 WeakPolarHBondContact O-CA 3.21Å; W1074-F1088 HydrophobicContact CB-CE1 4.01Å; W1074-F1088 HydrophobicContact CB-CE2 3.94Å; W1074-F1088 HydrophobicContact CB-CZ 3.64Å; W1074-F1088 HydrophobicContact CE3-CE2 4.45Å; W1074-F1088 HydrophobicContact CE3-CZ 4.44Å; W1074-F1088 PolarHBondContact N-O 2.7Å; W1074-F1088 VanDerWaalsContact O-CD1 3.27Å; W1074-F1088 WeakPolarHBondContact O-CD1 3.48Å; W1074-F1088 PolarHBondContact O-N 3.28Å; W1074-M1090 HydrophobicContact CD2-CB 4.36Å; W1074-M1090 HydrophobicContact CD2-CG 4.18Å; W1074-M1090 HydrophobicContact CE3-CG 4.37Å; W1074-M1090 HydrophobicContact CH2-CE 4.44Å; W1074-M1090 HydrophobicContact CH2-CG 3.95Å; W1074-M1090 HydrophobicContact CZ2-CE 3.58Å; W1074-M1090 HydrophobicContact CZ2-CG 3.76Å; W1074-M1090 HydrophobicContact CZ2-SD 4.26Å; W1074-M1090 HydrophobicContact CZ3-CG 4.27Å; W1074-I1095 HydrophobicContact CH2-CD1 3.85Å; W1074-I1095 HydrophobicContact CH2-CG1 4.19Å; W1074-I1095 HydrophobicContact CZ3-CD1 4.44Å; W1074-I1095 HydrophobicContact CZ3-CG1 4.31Å
1075	I	91.3	Very high	86.7	Confident	59 Å²	59	76.1 Å²	76.1	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.7	-176.7	-42.4	-175.8	0	0	0	109.1	T1066 G1067 E1069 V1087	T1066-I1075 WeakPolarHBondContact CA-O 3.49Å; T1066-I1075 PolarHBondContact N-O 3.39Å; T1066-I1075 PolarHBondContact OG1-O 3.38Å; G1067-I1075 PolarHBondContact N-O 3.06Å; G1067-I1075 PolarHBondContact O-N 3.04Å; E1069-I1075 HydrophobicContact CB-CD1 4.13Å; E1069-I1075 HydrophobicContact CB-CG1 4.14Å; I1075-V1087 HydrophobicContact CG1-CG1 4.19Å
1076	G	93.1	Very high	86.5	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.01	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-174.9	-177	0	0	0	0	0	114.5	I1064 K1085 G1086	I1064-G1076 WeakPolarHBondContact O-CA 3.44Å; G1076-K1085 CarbonylContact O-C 3.6Å; G1076-K1085 VanDerWaalsContact O-CA 3.24Å; G1076-K1085 WeakPolarHBondContact O-CA 3.25Å; G1076-G1086 PolarHBondContact N-O 2.66Å; G1076-G1086 PolarHBondContact O-N 2.92Å
1077	H	93.6	Very high	86.7	Confident	41 Å²	41	72.7 Å²	72.7	19%	0.19	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159	173.3	66.5	64.5	0	0	0	111	I1063 I1064 R1084 K1085	I1063-H1077 WeakPolarHBondContact CA-O 3.48Å; I1064-H1077 PolarHBondContact N-O 3Å; I1064-H1077 PolarHBondContact O-N 2.95Å; I1064-H1077 VanDerWaalsContact O-N 3.16Å; H1077-R1084 WeakPolarHBondContact CA-O 3.45Å; H1077-R1084 WeakPolarHBondContact CB-O 3.4Å; H1077-K1085 HydrophobicContact CB-CB 3.69Å
1078	I	94.8	Very high	87	Confident	9 Å²	9	71.5 Å²	71.5	5%	0.046	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.3	179	-51.8	-66.7	0	0	0	109.9	L1055 F1057 I1063 G1080 D1081 R1084	L1055-I1078 HydrophobicContact CD1-CD1 4.3Å; L1055-I1078 HydrophobicContact CD1-CG1 4.28Å; L1055-I1078 HydrophobicContact CD2-CD1 4.18Å; L1055-I1078 HydrophobicContact CG-CD1 4.4Å; F1057-I1078 HydrophobicContact CB-CD1 3.97Å; I1063-I1078 HydrophobicContact CG1-CD1 4.11Å; I1078-G1080 PolarHBondContact O-N 2.87Å; I1078-D1081 HydrophobicContact CB-CB 4.24Å; I1078-D1081 PolarHBondContact N-O 3.44Å; I1078-D1081 CarbonylContact O-C 3.58Å; I1078-D1081 PolarHBondContact O-N 3.15Å; I1078-R1084 HydrophobicContact CB-CB 4.38Å; I1078-R1084 HydrophobicContact CG1-CB 3.69Å; I1078-R1084 PolarHBondContact N-O 3.22Å; I1078-R1084 VanDerWaalsContact N-O 3.09Å
1079	E	91.1	Very high	87.2	Confident	77 Å²	77	66.9 Å²	66.9	36%	0.36	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	107.6	173.1	-177.7	153.9	-95	0	0	109.8	R1040 V1062 I1064	R1040-E1079 WeakPolarHBondContact CD-OE1 3.37Å; R1040-E1079 IonicContact CZ-OE1 2.72Å; R1040-E1079 IonicContact CZ-OE2 2.68Å; R1040-E1079 IonicContact NE-OE1 2.82Å; R1040-E1079 PolarHBondContact NE-OE1 2.57Å; R1040-E1079 IonicContact NE-OE2 3.34Å; R1040-E1079 PolarHBondContact NE-OE2 2.85Å; R1040-E1079 IonicContact NH2-OE1 3.07Å; R1040-E1079 IonicContact NH2-OE2 2.69Å; R1040-E1079 PolarHBondContact NH2-OE2 2.69Å; V1062-E1079 HydrophobicContact CB-CB 3.92Å; V1062-E1079 HydrophobicContact CG1-CB 4.05Å; V1062-E1079 WeakPolarHBondContact CG1-OE2 3.45Å; V1062-E1079 WeakPolarHBondContact O-CB 3.09Å; V1062-E1079 PolarHBondContact O-N 2.83Å; I1064-E1079 HydrophobicContact CD1-CB 4.21Å; I1064-E1079 HydrophobicContact CD1-CG 4.2Å; I1064-E1079 HydrophobicContact CG1-CB 4.34Å
1080	G	86.6	Confident	88.1	Confident	82 Å²	82	64.7 Å²	64.7	85%	0.845	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.5	-16.1	-174.2	0	0	0	0	0	114.6	I1078	I1078-G1080 PolarHBondContact O-N 2.87Å
1081	D	87.4	Confident	88.6	Confident	59 Å²	59	64.6 Å²	64.6	32%	0.316	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	90.2	174.4	-173.3	-20.2	0	0	0	110.9	I1078 D1083 R1084	I1078-D1081 HydrophobicContact CB-CB 4.24Å; I1078-D1081 PolarHBondContact N-O 3.44Å; I1078-D1081 CarbonylContact O-C 3.58Å; I1078-D1081 PolarHBondContact O-N 3.15Å; D1081-D1083 PolarHBondContact O-N 3.25Å; D1081-D1083 PolarHBondContact OD1-N 3.27Å; D1081-R1084 HydrophobicContact CB-CB 4.31Å; D1081-R1084 PolarHBondContact OD1-N 3.07Å; D1081-R1084 WeakPolarHBondContact OD2-CD 3.48Å; D1081-R1084 VanDerWaalsContact OD2-CG 3.29Å; D1081-R1084 WeakPolarHBondContact OD2-CG 3.46Å
1082	P	85.6	Confident	89.5	Confident	75 Å²	75	59.5 Å²	59.5	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-7.5	179	-17.6	32.8	0	0	0	114.8	K1085	P1082-K1085 PolarHBondContact O-NZ 3.14Å
1083	D	83.8	Confident	89.9	Confident	133 Å²	133	53.5 Å²	53.5	71%	0.711	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	-29.7	177.1	-79.8	-37.7	0	0	0	112.1	D1081 K1085	D1081-D1083 PolarHBondContact O-N 3.25Å; D1081-D1083 PolarHBondContact OD1-N 3.27Å; D1083-K1085 VanDerWaalsContact C-N 3.26Å; D1083-K1085 PolarHBondContact O-N 3.09Å; D1083-K1085 IonicContact OD1-NZ 3.98Å; D1083-K1085 PolarHBondContact OD1-NZ 3.33Å; D1083-K1085 VanDerWaalsContact OD1-NZ 3.11Å
1084	R	90.9	Very high	90.1	Very high	82 Å²	82	55.3 Å²	55.3	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	81.9	157.5	-72.1	177.1	65.3	-151.2	-4.9	110.5	L1055 T1056 E1061 H1077 I1078 D1081	L1055-R1084 HydrophobicContact CD1-CB 4.25Å; L1055-R1084 VanDerWaalsContact CD1-O 3.29Å; L1055-R1084 WeakPolarHBondContact CD1-O 3.22Å; T1056-R1084 PolarHBondContact O-NH2 3.36Å; E1061-R1084 IonicContact OE1-CZ 2.75Å; E1061-R1084 IonicContact OE1-NH1 2.73Å; E1061-R1084 PolarHBondContact OE1-NH1 2.98Å; E1061-R1084 IonicContact OE1-NH2 2.97Å; E1061-R1084 PolarHBondContact OE1-NH2 2.98Å; E1061-R1084 IonicContact OE2-CZ 3.72Å; E1061-R1084 IonicContact OE2-NH1 3.47Å; E1061-R1084 IonicContact OE2-NH2 3.91Å; E1061-R1084 PolarHBondContact OE2-NH2 3.12Å; H1077-R1084 WeakPolarHBondContact CA-O 3.45Å; H1077-R1084 WeakPolarHBondContact CB-O 3.4Å; I1078-R1084 HydrophobicContact CB-CB 4.38Å; I1078-R1084 HydrophobicContact CG1-CB 3.69Å; I1078-R1084 PolarHBondContact N-O 3.22Å; I1078-R1084 VanDerWaalsContact N-O 3.09Å; D1081-R1084 HydrophobicContact CB-CB 4.31Å; D1081-R1084 PolarHBondContact OD1-N 3.07Å; D1081-R1084 WeakPolarHBondContact OD2-CD 3.48Å; D1081-R1084 VanDerWaalsContact OD2-CG 3.29Å; D1081-R1084 WeakPolarHBondContact OD2-CG 3.46Å
1085	K	90.6	Very high	90.1	Very high	120 Å²	120	58.6 Å²	58.6	52%	0.522	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.9	177	63.3	179.3	151.6	-80.2	0	112.1	G1076 H1077 P1082 D1083	G1076-K1085 CarbonylContact O-C 3.6Å; G1076-K1085 VanDerWaalsContact O-CA 3.24Å; G1076-K1085 WeakPolarHBondContact O-CA 3.25Å; H1077-K1085 HydrophobicContact CB-CB 3.69Å; P1082-K1085 PolarHBondContact O-NZ 3.14Å; D1083-K1085 VanDerWaalsContact C-N 3.26Å; D1083-K1085 PolarHBondContact O-N 3.09Å; D1083-K1085 IonicContact OD1-NZ 3.98Å; D1083-K1085 PolarHBondContact OD1-NZ 3.33Å; D1083-K1085 VanDerWaalsContact OD1-NZ 3.11Å
1086	G	89.9	Confident	89.9	Confident	10 Å²	10	58.1 Å²	58.1	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-173.1	178.8	0	0	0	0	0	112.9	D1053 G1076	D1053-G1086 CarbonylContact O-C 3.58Å; D1053-G1086 WeakPolarHBondContact O-CA 3.11Å; G1076-G1086 PolarHBondContact N-O 2.66Å; G1076-G1086 PolarHBondContact O-N 2.92Å
1087	V	92.8	Very high	88.7	Confident	24 Å²	24	64 Å²	64	15%	0.145	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	146.2	174.5	-47.6	0	0	0	0	110.9	D1053 E1054 L1055 E1069 W1073 W1074 I1075	D1053-V1087 PolarHBondContact O-N 3Å; E1054-V1087 CarbonylContact C-O 3.55Å; E1054-V1087 WeakPolarHBondContact CA-O 3.44Å; E1054-V1087 HydrophobicContact CB-CG2 4.36Å; E1054-V1087 HydrophobicContact CG-CG2 3.67Å; L1055-V1087 PolarHBondContact N-O 2.96Å; E1069-V1087 WeakPolarHBondContact OE2-CG1 3.4Å; W1073-V1087 HydrophobicContact CE3-CB 4.32Å; W1073-V1087 HydrophobicContact CE3-CG2 3.92Å; W1073-V1087 HydrophobicContact CZ3-CG2 4.14Å; W1074-V1087 CarbonylContact O-C 3.54Å; W1074-V1087 VanDerWaalsContact O-CA 3.32Å; W1074-V1087 WeakPolarHBondContact O-CA 3.21Å; I1075-V1087 HydrophobicContact CG1-CG1 4.19Å
1088	F	91.1	Very high	86.8	Confident	1 Å²	1	68.1 Å²	68.1	0%	0.004	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.3	179.9	64.1	-84.5	0	0	0	111.9	V1041 L1055 F1057 I1063 V1065 W1074 V1093	V1041-F1088 HydrophobicContact CG2-CE2 4.18Å; V1041-F1088 HydrophobicContact CG2-CZ 4.23Å; L1055-F1088 HydrophobicContact CB-CB 4.44Å; L1055-F1088 HydrophobicContact CD2-CD1 4.24Å; F1057-F1088 HydrophobicContact CE1-CB 3.64Å; F1057-F1088 HydrophobicContact CE1-CG 4.37Å; F1057-F1088 HydrophobicContact CZ-CB 4.29Å; I1063-F1088 HydrophobicContact CD1-CD1 4.41Å; I1063-F1088 HydrophobicContact CD1-CD2 4.22Å; I1063-F1088 HydrophobicContact CD1-CE2 4.32Å; I1063-F1088 HydrophobicContact CD1-CG 4.27Å; I1063-F1088 HydrophobicContact CD1-CZ 4.46Å; I1063-F1088 HydrophobicContact CG2-CD1 4.29Å; I1063-F1088 HydrophobicContact CG2-CE1 3.6Å; I1063-F1088 HydrophobicContact CG2-CZ 3.79Å; V1065-F1088 HydrophobicContact CG2-CZ 4.27Å; W1074-F1088 HydrophobicContact CB-CE1 4.01Å; W1074-F1088 HydrophobicContact CB-CE2 3.94Å; W1074-F1088 HydrophobicContact CB-CZ 3.64Å; W1074-F1088 HydrophobicContact CE3-CE2 4.45Å; W1074-F1088 HydrophobicContact CE3-CZ 4.44Å; W1074-F1088 PolarHBondContact N-O 2.7Å; W1074-F1088 VanDerWaalsContact O-CD1 3.27Å; W1074-F1088 WeakPolarHBondContact O-CD1 3.48Å; W1074-F1088 PolarHBondContact O-N 3.28Å; F1088-V1093 HydrophobicContact CD2-CG1 3.9Å; F1088-V1093 HydrophobicContact CE2-CG1 3.79Å; F1088-V1093 HydrophobicContact CE2-CG2 3.91Å
1089	P	90.3	Very high	86.4	Confident	13 Å²	13	71.1 Å²	71.1	8%	0.084	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.7	179.4	29.3	-33.3	0	0	0	112	E1072 W1073 S1091 F1092	E1072-P1089 CarbonylContact O-C 3.56Å; E1072-P1089 WeakPolarHBondContact O-CA 3.39Å; W1073-P1089 HydrophobicContact CH2-CB 4.42Å; W1073-P1089 HydrophobicContact CH2-CG 4.38Å; W1073-P1089 HydrophobicContact CZ2-CB 4.35Å; W1073-P1089 HydrophobicContact CZ3-CG 4.48Å; P1089-S1091 PolarHBondContact O-N 2.98Å; P1089-F1092 HydrophobicContact CB-CD2 4.13Å; P1089-F1092 HydrophobicContact CG-CB 4.06Å; P1089-F1092 HydrophobicContact CG-CD2 3.46Å; P1089-F1092 VanDerWaalsContact CG-CD2 3.46Å; P1089-F1092 HydrophobicContact CG-CE2 4.03Å; P1089-F1092 HydrophobicContact CG-CG 3.79Å; P1089-F1092 PolarHBondContact O-N 3.11Å; P1089-F1092 VanDerWaalsContact O-N 3.11Å
1090	M	88.6	Confident	86.1	Confident	74 Å²	74	70.7 Å²	70.7	37%	0.365	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-57	-33.1	176.8	-173	-138.5	-79.7	0	0	112	Q1071 E1072 W1074 F1092 V1093	Q1071-M1090 VanDerWaalsContact O-CE 3.25Å; Q1071-M1090 WeakPolarHBondContact O-CE 3.42Å; E1072-M1090 PolarHBondContact O-N 2.87Å; W1074-M1090 HydrophobicContact CD2-CB 4.36Å; W1074-M1090 HydrophobicContact CD2-CG 4.18Å; W1074-M1090 HydrophobicContact CE3-CG 4.37Å; W1074-M1090 HydrophobicContact CH2-CE 4.44Å; W1074-M1090 HydrophobicContact CH2-CG 3.95Å; W1074-M1090 HydrophobicContact CZ2-CE 3.58Å; W1074-M1090 HydrophobicContact CZ2-CG 3.76Å; W1074-M1090 HydrophobicContact CZ2-SD 4.26Å; W1074-M1090 HydrophobicContact CZ3-CG 4.27Å; M1090-F1092 PolarHBondContact O-N 3.4Å; M1090-V1093 VanDerWaalsContact O-CG2 3.23Å; M1090-V1093 WeakPolarHBondContact O-CG2 3.5Å; M1090-V1093 PolarHBondContact O-N 3.38Å
1091	S	89.2	Confident	86.1	Confident	87 Å²	87	70.1 Å²	70.1	61%	0.608	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-67.2	-12.1	179.5	52	0	0	0	0	114.8	P1089	P1089-S1091 PolarHBondContact O-N 2.98Å
1092	F	89.3	Confident	86	Confident	66 Å²	66	70.8 Å²	70.8	29%	0.289	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-95.2	3.8	176.8	-79.9	-124.1	0	0	0	113	I1044 Y1045 C1047 F1057 P1089 M1090	I1044-F1092 VanDerWaalsContact CG1-O 3.31Å; I1044-F1092 WeakPolarHBondContact CG1-O 3.32Å; I1044-F1092 PolarHBondContact N-O 2.82Å; Y1045-F1092 HydrophobicContact CD2-CD1 4.2Å; Y1045-F1092 HydrophobicContact CD2-CG 4.2Å; Y1045-F1092 HydrophobicContact CG-CD1 4.5Å; C1047-F1092 HydrophobicContact CB-CD1 4Å; C1047-F1092 HydrophobicContact CB-CE1 4.36Å; F1057-F1092 HydrophobicContact CE2-CB 4.15Å; F1057-F1092 HydrophobicContact CE2-CD1 4.48Å; F1057-F1092 HydrophobicContact CZ-CB 3.91Å; F1057-F1092 HydrophobicContact CZ-CD1 4.46Å; P1089-F1092 HydrophobicContact CB-CD2 4.13Å; P1089-F1092 HydrophobicContact CG-CB 4.06Å; P1089-F1092 HydrophobicContact CG-CD2 3.46Å; P1089-F1092 VanDerWaalsContact CG-CD2 3.46Å; P1089-F1092 HydrophobicContact CG-CE2 4.03Å; P1089-F1092 HydrophobicContact CG-CG 3.79Å; P1089-F1092 PolarHBondContact O-N 3.11Å; P1089-F1092 VanDerWaalsContact O-N 3.11Å; M1090-F1092 PolarHBondContact O-N 3.4Å
1093	V	90.9	Very high	86.1	Confident	14 Å²	14	70.5 Å²	70.5	9%	0.085	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.4	-176.4	-58.3	0	0	0	0	113.2	V1041 K1042 T1043 I1063 F1088 M1090	V1041-V1093 HydrophobicContact CB-CB 3.85Å; V1041-V1093 HydrophobicContact CB-CG1 4.47Å; V1041-V1093 HydrophobicContact CB-CG2 3.92Å; V1041-V1093 HydrophobicContact CG1-CG2 4.19Å; V1041-V1093 HydrophobicContact CG2-CB 3.73Å; V1041-V1093 HydrophobicContact CG2-CG1 3.81Å; V1041-V1093 HydrophobicContact CG2-CG2 3.85Å; K1042-V1093 CarbonylContact O-C 3.51Å; K1042-V1093 WeakPolarHBondContact O-CA 3.44Å; T1043-V1093 HydrophobicContact CG2-CG1 4.23Å; I1063-V1093 HydrophobicContact CD1-CG1 4.16Å; F1088-V1093 HydrophobicContact CD2-CG1 3.9Å; F1088-V1093 HydrophobicContact CE2-CG1 3.79Å; F1088-V1093 HydrophobicContact CE2-CG2 3.91Å; M1090-V1093 VanDerWaalsContact O-CG2 3.23Å; M1090-V1093 WeakPolarHBondContact O-CG2 3.5Å; M1090-V1093 PolarHBondContact O-N 3.38Å
1094	H	90.4	Very high	86.2	Confident	125 Å²	125	66.3 Å²	66.3	58%	0.579	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.6	169.4	-171.1	83.2	0	0	0	110	V1041 K1042 I1044 L1096	V1041-H1094 CarbonylContact C-O 3.55Å; V1041-H1094 VanDerWaalsContact CA-O 3.27Å; V1041-H1094 WeakPolarHBondContact CA-O 3.43Å; K1042-H1094 PolarHBondContact N-O 3.12Å; K1042-H1094 PolarHBondContact O-N 2.91Å; I1044-H1094 HydrophobicContact CG2-CB 3.84Å; H1094-L1096 PolarHBondContact O-N 3.46Å
1095	I	90.5	Very high	85.9	Confident	79 Å²	79	65.2 Å²	65.2	41%	0.405	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122	-176.8	-53.6	174.5	0	0	0	110.1	R1039 V1041 W1074	R1039-I1095 HydrophobicContact CG-CG2 4.18Å; V1041-I1095 HydrophobicContact CG1-CG1 4.33Å; W1074-I1095 HydrophobicContact CH2-CD1 3.85Å; W1074-I1095 HydrophobicContact CH2-CG1 4.19Å; W1074-I1095 HydrophobicContact CZ3-CD1 4.44Å; W1074-I1095 HydrophobicContact CZ3-CG1 4.31Å
1096	L	86.8	Confident	85.5	Confident	49 Å²	49	61 Å²	61	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.9	172.7	-64.1	-178.7	0	0	0	109.5	R1040 K1042 V1062 H1094 D1098	R1040-L1096 HydrophobicContact CB-CB 4.28Å; R1040-L1096 HydrophobicContact CB-CD1 4.4Å; R1040-L1096 PolarHBondContact O-N 2.77Å; K1042-L1096 HydrophobicContact CB-CD1 4.2Å; K1042-L1096 HydrophobicContact CB-CD2 3.93Å; K1042-L1096 HydrophobicContact CB-CG 4.08Å; V1062-L1096 HydrophobicContact CG1-CD1 3.93Å; V1062-L1096 HydrophobicContact CG2-CD1 4Å; H1094-L1096 PolarHBondContact O-N 3.46Å; L1096-D1098 PolarHBondContact O-N 3.36Å
1097	S	68.3	Low	85.2	Confident	123 Å²	123	65.3 Å²	65.3	86%	0.86	36%	0.364	S	S	*	.			trans	-94.6	93.9	-179.6	-64.9	0	0	0	0	111
1098	D	54.1	Low	84.5	Confident	128 Å²	128	69 Å²	69	68%	0.684	38%	0.384	S	S	*	.			trans	-98.7	0	164.6	-58.3	-27.1	0	0	0	110.7	K1037 R1040 L1096	K1037-D1098 PolarHBondContact NZ-O 2.82Å; K1037-D1098 PolarHBondContact NZ-OXT 3.03Å; R1040-D1098 WeakPolarHBondContact CD-OD2 3.48Å; R1040-D1098 IonicContact CZ-OD2 3.05Å; R1040-D1098 IonicContact NE-OD2 2.8Å; R1040-D1098 VanDerWaalsContact NH1-CG 3.26Å; R1040-D1098 IonicContact NH1-OD1 2.86Å; R1040-D1098 PolarHBondContact NH1-OD1 3.08Å; R1040-D1098 IonicContact NH1-OD2 2.68Å; R1040-D1098 PolarHBondContact NH1-OD2 3.33Å; L1096-D1098 PolarHBondContact O-N 3.36Å

Retrieved 1,098 of 1,098 residues in 466.4 ms (Link to these results)

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