A0A077Z020_TRITR Loading...

Small ribosomal subunit protein uS5m

AlphaFold DB , UniProt , Accession A0A077Z020, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 889 aa.

						>A0A077Z020_TRITR|A0A077Z020
MVGAYGFDVTFPFSGSEYYNEAVALLKNSASKRKHDNGRAFELLLKAAELNHTQALEMIAFEMLYGDNLKWDAPKAKDLFESLSKQGSTKSQLGLAFMHSVGIATNSSQAIALIYYTFAALGGEPLAQMALGYRFSSGINLPQVCESALTYYRKVADRVAETTSFGLSTSVQRLRLTEDAEDPSSGTSTLMEENLLQYYKFLADKGDVGAQVGLGQLYLTGGRGVELNYDLARHYFFLAADAGSTNAMGFLGKMYLDGTPVTPADNLTAFQYFKRSADKGNAIGQSGLGYMYLSGLGVENDFDKAYKLLSASAEQGNVDAQLQLGLMFYHGLGVAEDFAMALKYFQLASQSGSVFAMYNLGQMHSLGLGVLRNCHTAVENVAERGKWSSMLMEAYSAYQNGEVPFRNEDERNQRALLLWDRAANQGSSFARVKVADYHYYGKGTPVDYEEAVANYKVASELQRNAQAMFNLGYMHEQGIGIRRDLHLAKRFYDMAVEVSPDATLPVNLALIRLSFLFFIDFFKQSLWWKLEFVDRAFGPYWDFYLVPLLCAVIAGKAEDLWKSVTSVSNVGRKKGRARSVRRPKDLNRGQEIGKGSINTMWPGLNSPLMAGKELLEHKYLPPDPDRAERLLKLRESVRMSRTKLHPLERGWSGTSLKGRILGPPECLANEESGDTFKTIVLETKSVRHMTARLGLVKRISLLAVVGNGNGLAGFAFAKHTDSKLALRKASNMAAKRLKYVERLQDHTIYQDFWAECRSTQLFVQRMPEGYGLRCHRALRAICQLVGIRDLFARVEGNTKNYQAIAKAFFDGLLKQETHQQLAERKRLLVVEFRKELGYLPRVVAKPLNAELRSDSEIEPDEELDVDSLYGEGRYPYRRRPRQPFWINSE
					

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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	34.5	Very low	44.3	Very low	243 Å²	243	128.7 Å²	128.7	100%	1.197	74%	0.738	S	S	*	*				0	69.5	0	-66.4	-177.8	-161	0	0	109.5
2	V	37	Very low	46.8	Very low	149 Å²	149	126.3 Å²	126.3	90%	0.903	73%	0.731	S	S	*	*			trans	-102.5	85.2	169.5	-175.5	0	0	0	0	105	A4	V2-A4 PolarHBondContact O-N 3.37Å
3	G	37.1	Very low	49.3	Very low	52 Å²	52	124.5 Å²	124.5	54%	0.536	71%	0.709	S	S	.	*			trans	-62.5	124.1	173	0	0	0	0	0	108.4	Y5	G3-Y5 VanDerWaalsContact C-N 3.35Å; G3-Y5 PolarHBondContact O-N 2.96Å
4	A	44.3	Very low	51.9	Low	102 Å²	102	119 Å²	119	84%	0.843	68%	0.683	S	S	*	*			trans	-61	97.6	169.6	0	0	0	0	0	108.4	V2 G6	V2-A4 PolarHBondContact O-N 3.37Å; A4-G6 PolarHBondContact O-N 3.15Å
5	Y	43	Very low	54.2	Low	200 Å²	200	111.8 Å²	111.8	78%	0.784	65%	0.645	S	S	*	*			trans	-71.4	81.2	160.3	-77.3	-85	0	0	0	107.2	G3 F7	G3-Y5 VanDerWaalsContact C-N 3.35Å; G3-Y5 PolarHBondContact O-N 2.96Å; Y5-F7 HydrophobicContact CD1-CE2 4.3Å; Y5-F7 HydrophobicContact CG-CE2 4.46Å; Y5-F7 PolarHBondContact O-N 2.87Å
6	G	41.8	Very low	56.5	Low	67 Å²	67	108.3 Å²	108.3	69%	0.691	63%	0.629	S	S	*	*			trans	-67.2	84.4	161.9	0	0	0	0	0	107.8	A4 D8	A4-G6 PolarHBondContact O-N 3.15Å; G6-D8 PolarHBondContact O-N 2.68Å
7	F	42.1	Very low	58.5	Low	171 Å²	171	107.7 Å²	107.7	75%	0.75	62%	0.619	S	S	*	*			trans	-68.9	94.9	157.2	-77	-84.6	0	0	0	105.6	Y5 V9	Y5-F7 HydrophobicContact CD1-CE2 4.3Å; Y5-F7 HydrophobicContact CG-CE2 4.46Å; Y5-F7 PolarHBondContact O-N 2.87Å; F7-V9 PolarHBondContact O-N 3.23Å
8	D	43.8	Very low	60.4	Low	146 Å²	146	102.4 Å²	102.4	78%	0.781	59%	0.587	S	S	*	*			trans	-56.2	100.6	158.3	-84.2	-28.1	0	0	0	105.7	G6 T10	G6-D8 PolarHBondContact O-N 2.68Å; D8-T10 HydrophobicContact CB-CG2 4.45Å; D8-T10 PolarHBondContact O-N 3.39Å
9	V	52.3	Low	62	Low	105 Å²	105	98.5 Å²	98.5	64%	0.636	56%	0.562	S	S	*	*			trans	-67.7	85.5	169.9	-179.6	0	0	0	0	105.1	F7 F11	F7-V9 PolarHBondContact O-N 3.23Å; V9-F11 HydrophobicContact CG1-CD2 4.5Å; V9-F11 HydrophobicContact CG1-CE2 4.23Å; V9-F11 HydrophobicContact CG1-CZ 4.25Å; V9-F11 WeakPolarHBondContact O-CD2 3.3Å; V9-F11 PolarHBondContact O-N 3.25Å
10	T	53.9	Low	63.5	Low	119 Å²	119	98.7 Å²	98.7	73%	0.73	56%	0.561	S	S	*	*			trans	-68.3	100.5	172.2	52.7	0	0	0	0	106.7	D8 P12	D8-T10 HydrophobicContact CB-CG2 4.45Å; D8-T10 PolarHBondContact O-N 3.39Å; T10-P12 WeakPolarHBondContact O-CD 3.32Å
11	F	56.9	Low	64.7	Low	62 Å²	62	97.3 Å²	97.3	27%	0.272	55%	0.55	S	S	.	.			trans	-61.8	121.5	168.3	-69.7	-86.7	0	0	0	107.9	V9 F13 Y18 K46 E49 L50	V9-F11 HydrophobicContact CG1-CD2 4.5Å; V9-F11 HydrophobicContact CG1-CE2 4.23Å; V9-F11 HydrophobicContact CG1-CZ 4.25Å; V9-F11 WeakPolarHBondContact O-CD2 3.3Å; V9-F11 PolarHBondContact O-N 3.25Å; F11-F13 PolarHBondContact O-N 2.83Å; F11-F13 VanDerWaalsContact O-N 3.1Å; F11-Y18 HydrophobicContact CB-CE2 4.06Å; F11-Y18 AromaticContact CD1-CE2 3.92Å; F11-Y18 HydrophobicContact CD1-CE2 3.92Å; F11-Y18 HydrophobicContact CG-CE2 4.38Å; F11-K46 HydrophobicContact CE1-CB 4.36Å; F11-K46 HydrophobicContact CE1-CG 4.35Å; F11-E49 HydrophobicContact CZ-CB 4.25Å; F11-E49 WeakPolarHBondContact CZ-OE2 3.47Å; F11-L50 HydrophobicContact CB-CD1 4.11Å; F11-L50 HydrophobicContact CB-CD2 4.49Å; F11-L50 HydrophobicContact CD1-CD1 4.42Å; F11-L50 HydrophobicContact CD2-CD1 4.42Å; F11-L50 HydrophobicContact CD2-CD2 3.57Å; F11-L50 HydrophobicContact CD2-CG 4.19Å; F11-L50 HydrophobicContact CE2-CD2 3.92Å; F11-L50 HydrophobicContact CE2-CG 4.43Å; F11-L50 HydrophobicContact CG-CD1 4.07Å; F11-L50 HydrophobicContact CG-CD2 4.07Å; F11-L50 HydrophobicContact CG-CG 4.3Å
12	P	74.4	Confident	67.3	Low	100 Å²	100	85.7 Å²	85.7	65%	0.649	49%	0.493	S	S	*	.	S	Bend	trans	-63.6	-16.1	-178.7	21.9	-33.1	0	0	0	113.5	T10 Y18	T10-P12 WeakPolarHBondContact O-CD 3.32Å; P12-Y18 VanDerWaalsContact CD-OH 3.27Å; P12-Y18 WeakPolarHBondContact CD-OH 3.45Å; P12-Y18 WeakPolarHBondContact CG-OH 3.42Å
13	F	79.9	Confident	69.6	Low	102 Å²	102	80 Å²	80	45%	0.447	46%	0.458	S	S	.	.	S	Bend	trans	-130.6	152.7	-176.3	-57.9	-67.2	0	0	0	111.3	F11 E17 Y18	F11-F13 PolarHBondContact O-N 2.83Å; F11-F13 VanDerWaalsContact O-N 3.1Å; F13-E17 VanDerWaalsContact CA-OE2 3.3Å; F13-E17 WeakPolarHBondContact CA-OE2 3.38Å; F13-E17 HydrophobicContact CB-CB 3.93Å; F13-E17 WeakPolarHBondContact CB-OE2 3.33Å; F13-Y18 HydrophobicContact CB-CD1 4.4Å; F13-Y18 HydrophobicContact CB-CD2 4.27Å; F13-Y18 HydrophobicContact CB-CE1 4.05Å; F13-Y18 HydrophobicContact CB-CE2 3.92Å; F13-Y18 AromaticContact CD2-CE1 3.78Å; F13-Y18 HydrophobicContact CD2-CE1 3.78Å; F13-Y18 AromaticContact CD2-CZ 3.96Å; F13-Y18 HydrophobicContact CG-CE1 4.39Å; F13-Y18 VanDerWaalsContact O-CE2 3.3Å; F13-Y18 WeakPolarHBondContact O-CE2 3.48Å
14	S	86.2	Confident	71.8	Confident	48 Å²	48	79.6 Å²	79.6	34%	0.336	45%	0.45	S	S	.	.			trans	-67.2	156.8	172.3	62.8	0	0	0	0	111.8	S16 E17 Y18	S14-S16 PolarHBondContact O-N 2.75Å; S14-S16 PolarHBondContact OG-OG 2.94Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 2.88Å; S14-E17 VanDerWaalsContact OG-CD 3.26Å; S14-E17 VanDerWaalsContact OG-CG 3.24Å; S14-E17 WeakPolarHBondContact OG-CG 3.17Å; S14-E17 PolarHBondContact OG-N 3.1Å; S14-E17 PolarHBondContact OG-OE2 3.39Å; S14-Y18 PolarHBondContact O-N 2.92Å; S14-Y18 VanDerWaalsContact O-N 3.15Å
15	G	86.2	Confident	73.6	Confident	11 Å²	11	76.3 Å²	76.3	11%	0.113	42%	0.418	C	S	.	.	H	α-helix	trans	-57.2	-32.8	175.9	0	0	0	0	0	113.1	Y19 A47	G15-Y19 WeakPolarHBondContact O-CB 3.42Å; G15-Y19 PolarHBondContact O-N 2.92Å; G15-A47 WeakPolarHBondContact O-CB 3.35Å
16	S	90.2	Very high	75.2	Confident	56 Å²	56	68.8 Å²	68.8	39%	0.392	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-37.8	173.6	40.9	0	0	0	0	113.6	S14 Y19 N20	S14-S16 PolarHBondContact O-N 2.75Å; S14-S16 PolarHBondContact OG-OG 2.94Å; S16-Y19 PolarHBondContact O-N 3.18Å; S16-N20 WeakPolarHBondContact O-CB 3.48Å; S16-N20 PolarHBondContact O-N 3.06Å; S16-N20 PolarHBondContact O-ND2 2.95Å; S16-N20 VanDerWaalsContact O-ND2 3.16Å
17	E	90.4	Very high	76.5	Confident	98 Å²	98	72.9 Å²	72.9	46%	0.458	39%	0.39	S	S	.	.	H	α-helix	trans	-69.1	-45.2	178.5	-77.5	164.1	157.1	0	0	110.9	F13 S14 Y19 N20 E21	F13-E17 VanDerWaalsContact CA-OE2 3.3Å; F13-E17 WeakPolarHBondContact CA-OE2 3.38Å; F13-E17 HydrophobicContact CB-CB 3.93Å; F13-E17 WeakPolarHBondContact CB-OE2 3.33Å; S14-E17 PolarHBondContact N-OE2 3.24Å; S14-E17 PolarHBondContact O-N 2.88Å; S14-E17 VanDerWaalsContact OG-CD 3.26Å; S14-E17 VanDerWaalsContact OG-CG 3.24Å; S14-E17 WeakPolarHBondContact OG-CG 3.17Å; S14-E17 PolarHBondContact OG-N 3.1Å; S14-E17 PolarHBondContact OG-OE2 3.39Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 3.46Å; E17-N20 PolarHBondContact O-N 3.49Å; E17-E21 WeakPolarHBondContact O-CB 3.45Å; E17-E21 PolarHBondContact O-N 2.8Å
18	Y	92.4	Very high	77.4	Confident	13 Å²	13	69.7 Å²	69.7	5%	0.051	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-42.3	173.6	-73.7	-53.6	0	0	0	112.5	F11 P12 F13 S14 E21 A22 L43 K46 L50	F11-Y18 HydrophobicContact CB-CE2 4.06Å; F11-Y18 AromaticContact CD1-CE2 3.92Å; F11-Y18 HydrophobicContact CD1-CE2 3.92Å; F11-Y18 HydrophobicContact CG-CE2 4.38Å; P12-Y18 VanDerWaalsContact CD-OH 3.27Å; P12-Y18 WeakPolarHBondContact CD-OH 3.45Å; P12-Y18 WeakPolarHBondContact CG-OH 3.42Å; F13-Y18 HydrophobicContact CB-CD1 4.4Å; F13-Y18 HydrophobicContact CB-CD2 4.27Å; F13-Y18 HydrophobicContact CB-CE1 4.05Å; F13-Y18 HydrophobicContact CB-CE2 3.92Å; F13-Y18 AromaticContact CD2-CE1 3.78Å; F13-Y18 HydrophobicContact CD2-CE1 3.78Å; F13-Y18 AromaticContact CD2-CZ 3.96Å; F13-Y18 HydrophobicContact CG-CE1 4.39Å; F13-Y18 VanDerWaalsContact O-CE2 3.3Å; F13-Y18 WeakPolarHBondContact O-CE2 3.48Å; S14-Y18 PolarHBondContact O-N 2.92Å; S14-Y18 VanDerWaalsContact O-N 3.15Å; Y18-E21 PolarHBondContact O-N 2.85Å; Y18-A22 VanDerWaalsContact O-CB 3.29Å; Y18-A22 WeakPolarHBondContact O-CB 3.46Å; Y18-A22 PolarHBondContact O-N 3Å; Y18-L43 HydrophobicContact CD1-CD2 3.65Å; Y18-L43 HydrophobicContact CE1-CD2 4.1Å; Y18-K46 HydrophobicContact CD2-CB 4.14Å; Y18-K46 HydrophobicContact CE1-CD 4.18Å; Y18-K46 HydrophobicContact CE2-CB 4.29Å; Y18-K46 HydrophobicContact CG-CB 4.25Å; Y18-L50 HydrophobicContact CD2-CD1 3.87Å; Y18-L50 HydrophobicContact CE2-CD1 3.95Å
19	Y	92.2	Very high	77.7	Confident	28 Å²	28	63.2 Å²	63.2	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-46.7	175.8	178.4	-100.8	0	0	0	111.9	G15 S16 E17 E21 A22 V23 L44 H52 Q54 A55 M58	G15-Y19 WeakPolarHBondContact O-CB 3.42Å; G15-Y19 PolarHBondContact O-N 2.92Å; S16-Y19 PolarHBondContact O-N 3.18Å; E17-Y19 VanDerWaalsContact C-N 3.32Å; E17-Y19 PolarHBondContact O-N 3.46Å; Y19-E21 PolarHBondContact O-N 3.44Å; Y19-A22 PolarHBondContact O-N 2.92Å; Y19-V23 HydrophobicContact CD1-CG2 4.18Å; Y19-V23 HydrophobicContact CD2-CG2 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 3.73Å; Y19-V23 HydrophobicContact CE2-CG2 3.81Å; Y19-V23 HydrophobicContact CG-CG2 4.41Å; Y19-V23 WeakPolarHBondContact O-CB 3.36Å; Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.26Å; Y19-V23 PolarHBondContact O-N 3.25Å; Y19-L44 HydrophobicContact CD2-CD2 3.78Å; Y19-L44 HydrophobicContact CE2-CD2 4.14Å; Y19-H52 VanDerWaalsContact CB-CD2 3.48Å; Y19-H52 WeakPolarHBondContact CB-CD2 3.42Å; Y19-H52 AromaticContact CD1-NE2 3.53Å; Y19-H52 AromaticContact CD2-CD2 3.64Å; Y19-H52 AromaticContact CD2-NE2 3.84Å; Y19-H52 AromaticContact CG-CD2 3.47Å; Y19-H52 VanDerWaalsContact CG-CD2 3.47Å; Y19-H52 AromaticContact CG-NE2 3.36Å; Y19-Q54 HydrophobicContact CD2-CB 4.33Å; Y19-Q54 HydrophobicContact CE1-CB 4.17Å; Y19-Q54 HydrophobicContact CE2-CB 3.67Å; Y19-Q54 PolarHBondContact OH-OE1 3.14Å; Y19-A55 HydrophobicContact CD2-CB 3.97Å; Y19-M58 HydrophobicContact CE2-SD 3.63Å
20	N	91.7	Very high	77.6	Confident	101 Å²	101	60.8 Å²	60.8	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-40.6	179.5	-72.6	-26.6	0	0	0	112.1	S16 E17 V23 A24	S16-N20 WeakPolarHBondContact O-CB 3.48Å; S16-N20 PolarHBondContact O-N 3.06Å; S16-N20 PolarHBondContact O-ND2 2.95Å; S16-N20 VanDerWaalsContact O-ND2 3.16Å; E17-N20 PolarHBondContact O-N 3.49Å; N20-V23 PolarHBondContact O-N 2.98Å; N20-A24 VanDerWaalsContact O-CB 3.29Å; N20-A24 WeakPolarHBondContact O-CB 3.32Å; N20-A24 PolarHBondContact O-N 3.34Å
21	E	88.7	Confident	77.1	Confident	70 Å²	70	58.9 Å²	58.9	33%	0.327	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-45.1	174.1	-169.5	-175	168.1	0	0	110.7	E17 Y18 Y19 V23 A24 L25 R39 L43	E17-E21 WeakPolarHBondContact O-CB 3.45Å; E17-E21 PolarHBondContact O-N 2.8Å; Y18-E21 PolarHBondContact O-N 2.85Å; Y19-E21 PolarHBondContact O-N 3.44Å; E21-V23 PolarHBondContact O-N 2.96Å; E21-A24 PolarHBondContact O-N 3.28Å; E21-L25 WeakPolarHBondContact O-CG 3.3Å; E21-L25 PolarHBondContact O-N 2.61Å; E21-R39 IonicContact OE1-NH2 2.73Å; E21-L43 HydrophobicContact CB-CD1 4.28Å; E21-L43 HydrophobicContact CG-CD1 3.85Å
22	A	88.2	Confident	76.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.7	0	0	0	0	0	112.3	Y18 Y19 A24 L25 L26 A40 L43 L44	Y18-A22 VanDerWaalsContact O-CB 3.29Å; Y18-A22 WeakPolarHBondContact O-CB 3.46Å; Y18-A22 PolarHBondContact O-N 3Å; Y19-A22 PolarHBondContact O-N 2.92Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.05Å; A22-L25 PolarHBondContact O-N 3.46Å; A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 3.33Å; A22-A40 WeakPolarHBondContact CB-O 3.39Å; A22-L43 HydrophobicContact CB-CB 3.83Å; A22-L44 HydrophobicContact CB-CD2 3.96Å; A22-L44 HydrophobicContact CB-CG 3.72Å
23	V	86.6	Confident	74.9	Confident	29 Å²	29	68.2 Å²	68.2	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-36.6	177	171	0	0	0	0	111.1	Y19 N20 E21 L26 K27 M58	Y19-V23 HydrophobicContact CD1-CG2 4.18Å; Y19-V23 HydrophobicContact CD2-CG2 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 3.73Å; Y19-V23 HydrophobicContact CE2-CG2 3.81Å; Y19-V23 HydrophobicContact CG-CG2 4.41Å; Y19-V23 WeakPolarHBondContact O-CB 3.36Å; Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.26Å; Y19-V23 PolarHBondContact O-N 3.25Å; N20-V23 PolarHBondContact O-N 2.98Å; E21-V23 PolarHBondContact O-N 2.96Å; V23-L26 PolarHBondContact O-N 3.23Å; V23-K27 HydrophobicContact CG1-CD 4.17Å; V23-K27 HydrophobicContact CG1-CG 4.46Å; V23-K27 WeakPolarHBondContact O-CB 3.34Å; V23-K27 VanDerWaalsContact O-CG 3.26Å; V23-K27 WeakPolarHBondContact O-CG 3.48Å; V23-K27 PolarHBondContact O-N 2.79Å; V23-M58 HydrophobicContact CG2-SD 4.5Å
24	A	82.5	Confident	73.5	Confident	44 Å²	44	70.5 Å²	70.5	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-41.8	173.6	0	0	0	0	0	111.4	N20 E21 A22 K27 N28	N20-A24 VanDerWaalsContact O-CB 3.29Å; N20-A24 WeakPolarHBondContact O-CB 3.32Å; N20-A24 PolarHBondContact O-N 3.34Å; E21-A24 PolarHBondContact O-N 3.28Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 3.05Å; A24-K27 PolarHBondContact O-N 2.97Å; A24-N28 WeakPolarHBondContact O-CB 3.4Å; A24-N28 PolarHBondContact O-N 3.49Å; A24-N28 PolarHBondContact O-ND2 3.48Å
25	L	81.7	Confident	71.7	Confident	33 Å²	33	76.3 Å²	76.3	17%	0.173	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-45.2	173.4	-72.2	175.4	0	0	0	111.7	E21 A22 K27 N28 S29 R39 A40 L43	E21-L25 WeakPolarHBondContact O-CG 3.3Å; E21-L25 PolarHBondContact O-N 2.61Å; A22-L25 PolarHBondContact O-N 3.46Å; L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 3.05Å; L25-N28 CarbonylContact O-C 3.59Å; L25-N28 PolarHBondContact O-N 2.89Å; L25-N28 VanDerWaalsContact O-N 3.09Å; L25-S29 WeakPolarHBondContact O-CA 3.47Å; L25-S29 WeakPolarHBondContact O-CB 3.09Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 2.88Å; L25-R39 HydrophobicContact CD1-CG 4.06Å; L25-A40 HydrophobicContact CB-CB 3.9Å; L25-A40 HydrophobicContact CD1-CB 4.45Å; L25-L43 HydrophobicContact CD1-CD1 3.54Å
26	L	77.3	Confident	70.4	Confident	41 Å²	41	78.2 Å²	78.2	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-34.2	177.2	-71.2	171.7	0	0	0	112.7	A22 V23 S29 A40 F41 L44 M58	A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 3.33Å; V23-L26 PolarHBondContact O-N 3.23Å; L26-S29 WeakPolarHBondContact CA-OG 3.09Å; L26-S29 PolarHBondContact O-OG 2.71Å; L26-A40 HydrophobicContact CD2-CB 3.78Å; L26-A40 HydrophobicContact CG-CB 3.73Å; L26-F41 HydrophobicContact CD2-CE2 4.12Å; L26-F41 HydrophobicContact CD2-CZ 4.48Å; L26-L44 HydrophobicContact CD1-CD1 4.06Å; L26-M58 HydrophobicContact CD1-CE 3.51Å
27	K	69.2	Low	69.4	Low	154 Å²	154	77.4 Å²	77.4	67%	0.67	38%	0.383	S	S	*	.	H	α-helix	trans	-68.8	-35	172.7	-75.6	174.8	-179.1	178.1	0	112	V23 A24 L25	V23-K27 HydrophobicContact CG1-CD 4.17Å; V23-K27 HydrophobicContact CG1-CG 4.46Å; V23-K27 WeakPolarHBondContact O-CB 3.34Å; V23-K27 VanDerWaalsContact O-CG 3.26Å; V23-K27 WeakPolarHBondContact O-CG 3.48Å; V23-K27 PolarHBondContact O-N 2.79Å; A24-K27 PolarHBondContact O-N 2.97Å; L25-K27 VanDerWaalsContact C-N 3.3Å; L25-K27 PolarHBondContact O-N 3.05Å
28	N	60.1	Low	68.7	Low	104 Å²	104	74.5 Å²	74.5	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-85.3	-29.2	-179.3	-70.6	-17.4	0	0	0	113.2	A24 L25 A30 S31	A24-N28 WeakPolarHBondContact O-CB 3.4Å; A24-N28 PolarHBondContact O-N 3.49Å; A24-N28 PolarHBondContact O-ND2 3.48Å; L25-N28 CarbonylContact O-C 3.59Å; L25-N28 PolarHBondContact O-N 2.89Å; L25-N28 VanDerWaalsContact O-N 3.09Å; N28-A30 VanDerWaalsContact C-N 3.25Å; N28-A30 PolarHBondContact O-N 3.37Å; N28-S31 WeakPolarHBondContact O-CB 3.44Å; N28-S31 PolarHBondContact O-N 2.99Å; N28-S31 PolarHBondContact O-OG 3.23Å
29	S	51	Low	68.1	Low	10 Å²	10	80.6 Å²	80.6	7%	0.07	40%	0.402	C	S	.	.	H	α-helix	trans	-73.6	-16.3	-176.7	69.4	0	0	0	0	113	L25 L26 S31 K32 N37	L25-S29 WeakPolarHBondContact O-CA 3.47Å; L25-S29 WeakPolarHBondContact O-CB 3.09Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-S29 PolarHBondContact O-OG 2.88Å; L26-S29 WeakPolarHBondContact CA-OG 3.09Å; L26-S29 PolarHBondContact O-OG 2.71Å; S29-S31 PolarHBondContact O-N 3.28Å; S29-K32 CarbonylContact C-O 3.19Å; S29-K32 CarbonylContact O-C 3.59Å; S29-K32 PolarHBondContact O-N 3.16Å; S29-N37 VanDerWaalsContact CB-OD1 3.3Å; S29-N37 WeakPolarHBondContact CB-OD1 2.83Å; S29-N37 PolarHBondContact OG-OD1 2.95Å
30	A	49.8	Very low	67.8	Low	53 Å²	53	79.2 Å²	79.2	44%	0.438	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-48.2	159.4	0	0	0	0	0	109.4	N28 K32 E226	N28-A30 VanDerWaalsContact C-N 3.25Å; N28-A30 PolarHBondContact O-N 3.37Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.82Å; A30-E226 VanDerWaalsContact CA-OE1 3.25Å; A30-E226 WeakPolarHBondContact CA-OE1 3.37Å; A30-E226 VanDerWaalsContact CB-OE1 3.26Å; A30-E226 WeakPolarHBondContact CB-OE1 3.34Å
31	S	43.4	Very low	67.6	Low	79 Å²	79	75 Å²	75	55%	0.552	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16	177.9	79.1	0	0	0	0	115.3	N28 S29 E226	N28-S31 WeakPolarHBondContact O-CB 3.44Å; N28-S31 PolarHBondContact O-N 2.99Å; N28-S31 PolarHBondContact O-OG 3.23Å; S29-S31 PolarHBondContact O-N 3.28Å; S31-E226 WeakPolarHBondContact CA-OE2 3.41Å; S31-E226 PolarHBondContact N-OE2 3.15Å
32	K	38.4	Very low	67.5	Low	130 Å²	130	77.2 Å²	77.2	57%	0.565	38%	0.384	S	S	*	.	S	Bend	trans	-142	107	-166.8	-75.4	179.2	-175.3	177.4	0	111.9	S29 A30 D36	S29-K32 CarbonylContact C-O 3.19Å; S29-K32 CarbonylContact O-C 3.59Å; S29-K32 PolarHBondContact O-N 3.16Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 2.82Å; K32-D36 WeakPolarHBondContact CB-OD2 3.38Å
33	R	46.2	Very low	67.6	Low	228 Å²	228	77.8 Å²	77.8	86%	0.86	39%	0.387	S	S	*	.			trans	12.4	142.1	157.9	-64.2	-176.1	-179.3	179.5	0.5	118.1	H35 D36	R33-H35 PolarHBondContact O-N 3.14Å; R33-D36 PolarHBondContact O-N 2.93Å
34	K	51.8	Low	67.8	Low	151 Å²	151	76.4 Å²	76.4	66%	0.657	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-26	-29.3	172.1	-73.4	-176.9	177.3	175.4	0	118.6	N37 G38 E402	K34-N37 PolarHBondContact O-N 2.94Å; K34-G38 PolarHBondContact O-N 3.35Å; K34-E402 IonicContact NZ-OE2 2.84Å; K34-E402 PolarHBondContact NZ-OE2 2.88Å
35	H	48.7	Very low	68.2	Low	169 Å²	169	77.4 Å²	77.4	78%	0.782	38%	0.378	S	S	*	.	H	α-helix	trans	-62.5	-38.9	176.4	-120	-63.6	0	0	0	113.8	R33 N37 G38 R39	R33-H35 PolarHBondContact O-N 3.14Å; H35-N37 VanDerWaalsContact C-N 3.32Å; H35-G38 PolarHBondContact O-N 3.14Å; H35-R39 PolarHBondContact O-N 3.04Å
36	D	57.9	Low	68.7	Low	51 Å²	51	79.7 Å²	79.7	27%	0.273	39%	0.386	S	S	.	.	H	α-helix	trans	-71	-31.8	179.6	-74.6	-12.8	0	0	0	111.3	K32 R33 R39 A40	K32-D36 WeakPolarHBondContact CB-OD2 3.38Å; R33-D36 PolarHBondContact O-N 2.93Å; D36-R39 PolarHBondContact O-N 3.43Å; D36-A40 WeakPolarHBondContact O-CB 3.41Å; D36-A40 PolarHBondContact O-N 3.26Å
37	N	69.5	Low	69.4	Low	39 Å²	39	77.8 Å²	77.8	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-45	173	-68.6	0.1	0	0	0	110.9	S29 K34 H35 R39 A40 F41	S29-N37 VanDerWaalsContact CB-OD1 3.3Å; S29-N37 WeakPolarHBondContact CB-OD1 2.83Å; S29-N37 PolarHBondContact OG-OD1 2.95Å; K34-N37 PolarHBondContact O-N 2.94Å; H35-N37 VanDerWaalsContact C-N 3.32Å; N37-R39 VanDerWaalsContact C-N 3.35Å; N37-R39 PolarHBondContact O-N 3.33Å; N37-A40 PolarHBondContact O-N 3.2Å; N37-A40 VanDerWaalsContact O-N 3.14Å; N37-F41 WeakPolarHBondContact O-CD2 3.18Å; N37-F41 PolarHBondContact O-N 3.31Å
38	G	75	Confident	70.5	Confident	37 Å²	37	71 Å²	71	38%	0.381	35%	0.349	S	S	.	.	H	α-helix	trans	-55.2	-48.5	177.9	0	0	0	0	0	112.6	K34 H35 A40 F41 E42	K34-G38 PolarHBondContact O-N 3.35Å; H35-G38 PolarHBondContact O-N 3.14Å; G38-A40 PolarHBondContact O-N 3.47Å; G38-F41 PolarHBondContact O-N 3.17Å; G38-E42 WeakPolarHBondContact O-CG 3.33Å; G38-E42 PolarHBondContact O-N 3.14Å
39	R	81.3	Confident	72	Confident	141 Å²	141	72.2 Å²	72.2	53%	0.532	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-40.2	176.6	-177.8	176.2	171.8	171.4	-3.7	112.5	E21 L25 H35 D36 N37 F41 E42 L43	E21-R39 IonicContact OE1-NH2 2.73Å; L25-R39 HydrophobicContact CD1-CG 4.06Å; H35-R39 PolarHBondContact O-N 3.04Å; D36-R39 PolarHBondContact O-N 3.43Å; N37-R39 VanDerWaalsContact C-N 3.35Å; N37-R39 PolarHBondContact O-N 3.33Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.3Å; R39-E42 PolarHBondContact O-N 3.14Å; R39-L43 HydrophobicContact CG-CD1 4.46Å; R39-L43 WeakPolarHBondContact O-CG 3.47Å; R39-L43 PolarHBondContact O-N 3.01Å; R39-L43 VanDerWaalsContact O-N 3.13Å
40	A	85.3	Confident	73.9	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-39	176.9	0	0	0	0	0	111.9	A22 L25 L26 D36 N37 G38 L43 L44	A22-A40 WeakPolarHBondContact CB-O 3.39Å; L25-A40 HydrophobicContact CB-CB 3.9Å; L25-A40 HydrophobicContact CD1-CB 4.45Å; L26-A40 HydrophobicContact CD2-CB 3.78Å; L26-A40 HydrophobicContact CG-CB 3.73Å; D36-A40 WeakPolarHBondContact O-CB 3.41Å; D36-A40 PolarHBondContact O-N 3.26Å; N37-A40 PolarHBondContact O-N 3.2Å; N37-A40 VanDerWaalsContact O-N 3.14Å; G38-A40 PolarHBondContact O-N 3.47Å; A40-L43 PolarHBondContact O-N 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.32Å
41	F	86.2	Confident	75.8	Confident	11 Å²	11	78.4 Å²	78.4	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-70.4	-33.7	176.1	-80.1	-67.9	0	0	0	113.5	L26 N37 G38 R39 L43 L44 L45 E62 N68 L69	L26-F41 HydrophobicContact CD2-CE2 4.12Å; L26-F41 HydrophobicContact CD2-CZ 4.48Å; N37-F41 WeakPolarHBondContact O-CD2 3.18Å; N37-F41 PolarHBondContact O-N 3.31Å; G38-F41 PolarHBondContact O-N 3.17Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.3Å; F41-L43 VanDerWaalsContact C-N 3.29Å; F41-L43 PolarHBondContact O-N 3.37Å; F41-L44 HydrophobicContact CD1-CD1 3.65Å; F41-L44 HydrophobicContact CE1-CD1 3.54Å; F41-L44 HydrophobicContact CG-CD1 4.49Å; F41-L44 HydrophobicContact CZ-CD1 4.35Å; F41-L44 PolarHBondContact O-N 2.95Å; F41-L45 WeakPolarHBondContact O-CB 3.19Å; F41-L45 VanDerWaalsContact O-CG 3.31Å; F41-L45 WeakPolarHBondContact O-CG 3.44Å; F41-L45 PolarHBondContact O-N 3.04Å; F41-E62 HydrophobicContact CD1-CG 4.48Å; F41-E62 HydrophobicContact CE1-CB 4.36Å; F41-E62 HydrophobicContact CE1-CG 3.5Å; F41-E62 VanDerWaalsContact CE1-CG 3.5Å; F41-E62 HydrophobicContact CZ-CG 3.79Å; F41-E62 VanDerWaalsContact CZ-OE1 3.27Å; F41-E62 WeakPolarHBondContact CZ-OE1 3.41Å; F41-N68 HydrophobicContact CD1-CB 4.5Å; F41-N68 HydrophobicContact CD2-CB 3.31Å; F41-N68 HydrophobicContact CE1-CB 4.47Å; F41-N68 HydrophobicContact CE2-CB 3.27Å; F41-N68 WeakPolarHBondContact CE2-ND2 2.96Å; F41-N68 HydrophobicContact CG-CB 3.99Å; F41-N68 HydrophobicContact CZ-CB 3.88Å; F41-N68 WeakPolarHBondContact CZ-ND2 3.49Å; F41-L69 HydrophobicContact CD1-CD1 3.91Å; F41-L69 HydrophobicContact CD1-CG 4.48Å; F41-L69 HydrophobicContact CE1-CD1 4.42Å
42	E	86.9	Confident	78.1	Confident	118 Å²	118	76.5 Å²	76.5	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-60.3	-40.5	169.8	-71.5	174.7	-173.5	0	0	111.9	G38 R39 L45 K46	G38-E42 WeakPolarHBondContact O-CG 3.33Å; G38-E42 PolarHBondContact O-N 3.14Å; R39-E42 PolarHBondContact O-N 3.14Å; E42-L45 PolarHBondContact O-N 2.77Å; E42-K46 WeakPolarHBondContact O-CG 3.38Å; E42-K46 PolarHBondContact O-N 3.05Å; E42-K46 VanDerWaalsContact O-N 3.13Å
43	L	90.6	Very high	80.7	Confident	12 Å²	12	73.3 Å²	73.3	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-70.3	-38.4	176.1	-67.1	166	0	0	0	112	Y18 E21 A22 L25 R39 A40 F41 L45 K46 A47	Y18-L43 HydrophobicContact CD1-CD2 3.65Å; Y18-L43 HydrophobicContact CE1-CD2 4.1Å; E21-L43 HydrophobicContact CB-CD1 4.28Å; E21-L43 HydrophobicContact CG-CD1 3.85Å; A22-L43 HydrophobicContact CB-CB 3.83Å; L25-L43 HydrophobicContact CD1-CD1 3.54Å; R39-L43 HydrophobicContact CG-CD1 4.46Å; R39-L43 WeakPolarHBondContact O-CG 3.47Å; R39-L43 PolarHBondContact O-N 3.01Å; R39-L43 VanDerWaalsContact O-N 3.13Å; A40-L43 PolarHBondContact O-N 3.24Å; F41-L43 VanDerWaalsContact C-N 3.29Å; F41-L43 PolarHBondContact O-N 3.37Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.68Å; L43-K46 PolarHBondContact O-N 3.38Å; L43-A47 PolarHBondContact O-N 2.91Å
44	L	90.8	Very high	82.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-40.5	172.3	-75.8	169.3	0	0	0	111.7	Y19 A22 L26 A40 F41 A47 A48 A55 M58 I59	Y19-L44 HydrophobicContact CD2-CD2 3.78Å; Y19-L44 HydrophobicContact CE2-CD2 4.14Å; A22-L44 HydrophobicContact CB-CD2 3.96Å; A22-L44 HydrophobicContact CB-CG 3.72Å; L26-L44 HydrophobicContact CD1-CD1 4.06Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.32Å; F41-L44 HydrophobicContact CD1-CD1 3.65Å; F41-L44 HydrophobicContact CE1-CD1 3.54Å; F41-L44 HydrophobicContact CG-CD1 4.49Å; F41-L44 HydrophobicContact CZ-CD1 4.35Å; F41-L44 PolarHBondContact O-N 2.95Å; L44-A47 PolarHBondContact O-N 2.75Å; L44-A48 WeakPolarHBondContact O-CB 3.31Å; L44-A48 PolarHBondContact O-N 3.28Å; L44-A55 HydrophobicContact CD2-CB 4.07Å; L44-M58 HydrophobicContact CD1-CE 3.88Å; L44-M58 HydrophobicContact CD1-SD 4.5Å; L44-M58 HydrophobicContact CD2-CE 4.47Å; L44-M58 HydrophobicContact CD2-SD 4.1Å; L44-I59 HydrophobicContact CB-CD1 4.12Å; L44-I59 HydrophobicContact CB-CG1 4.31Å; L44-I59 VanDerWaalsContact O-CD1 3.29Å; L44-I59 WeakPolarHBondContact O-CD1 3.3Å
45	L	91.2	Very high	84.8	Confident	65 Å²	65	59.3 Å²	59.3	34%	0.34	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.5	-74.8	169.9	0	0	0	111.1	F41 E42 L43 A47 A48 E49 I59 L69	F41-L45 WeakPolarHBondContact O-CB 3.19Å; F41-L45 VanDerWaalsContact O-CG 3.31Å; F41-L45 WeakPolarHBondContact O-CG 3.44Å; F41-L45 PolarHBondContact O-N 3.04Å; E42-L45 PolarHBondContact O-N 2.77Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.68Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 3.31Å; L45-A48 WeakPolarHBondContact O-CB 3.43Å; L45-A48 PolarHBondContact O-N 3.48Å; L45-E49 WeakPolarHBondContact O-CG 3.26Å; L45-E49 PolarHBondContact O-N 3.3Å; L45-I59 HydrophobicContact CD2-CD1 3.99Å; L45-I59 HydrophobicContact CD2-CG1 4.49Å; L45-I59 HydrophobicContact CG-CD1 4.44Å; L45-L69 HydrophobicContact CD1-CD2 4.21Å; L45-L69 HydrophobicContact CD2-CD2 4.24Å
46	K	91.7	Very high	87	Confident	81 Å²	81	52.4 Å²	52.4	35%	0.352	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.5	-68.7	173.4	-176.1	174.4	0	112.3	F11 Y18 E42 L43 A48 E49 L50	F11-K46 HydrophobicContact CE1-CB 4.36Å; F11-K46 HydrophobicContact CE1-CG 4.35Å; Y18-K46 HydrophobicContact CD2-CB 4.14Å; Y18-K46 HydrophobicContact CE1-CD 4.18Å; Y18-K46 HydrophobicContact CE2-CB 4.29Å; Y18-K46 HydrophobicContact CG-CB 4.25Å; E42-K46 WeakPolarHBondContact O-CG 3.38Å; E42-K46 PolarHBondContact O-N 3.05Å; E42-K46 VanDerWaalsContact O-N 3.13Å; L43-K46 PolarHBondContact O-N 3.38Å; K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 3.13Å; K46-E49 PolarHBondContact O-N 3.21Å; K46-L50 PolarHBondContact O-N 3.02Å
47	A	93.1	Very high	88.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-37.4	175	0	0	0	0	0	112.1	G15 L43 L44 L45 L50 N51 H52 A55	G15-A47 WeakPolarHBondContact O-CB 3.35Å; L43-A47 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 2.75Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 3.31Å; A47-L50 CarbonylContact O-C 3.47Å; A47-L50 PolarHBondContact O-N 2.82Å; A47-N51 PolarHBondContact O-N 3.12Å; A47-H52 HydrophobicContact CB-CB 4.24Å; A47-H52 WeakPolarHBondContact O-CB 3.43Å; A47-H52 PolarHBondContact O-N 3.08Å; A47-A55 HydrophobicContact CB-CB 3.64Å
48	A	91.6	Very high	89.7	Confident	12 Å²	12	51.2 Å²	51.2	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-70.4	-36.1	175.5	0	0	0	0	0	113.3	L44 L45 K46 L50 N51 A55 L56 I59	L44-A48 WeakPolarHBondContact O-CB 3.31Å; L44-A48 PolarHBondContact O-N 3.28Å; L45-A48 WeakPolarHBondContact O-CB 3.43Å; L45-A48 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 3.13Å; A48-L50 PolarHBondContact O-N 2.96Å; A48-N51 WeakPolarHBondContact O-CA 3.26Å; A48-N51 PolarHBondContact O-N 2.93Å; A48-A55 HydrophobicContact CB-CB 4.48Å; A48-L56 HydrophobicContact CB-CD2 3.56Å; A48-L56 HydrophobicContact CB-CG 4.07Å; A48-I59 HydrophobicContact CB-CD1 3.3Å
49	E	90.9	Very high	90.4	Very high	129 Å²	129	49.7 Å²	49.7	60%	0.603	24%	0.24	S	C	*	.	H	α-helix	trans	-59.2	-31.3	170.5	-73.8	172.4	179.2	0	0	111.5	F11 L45 K46 N51	F11-E49 HydrophobicContact CZ-CB 4.25Å; F11-E49 WeakPolarHBondContact CZ-OE2 3.47Å; L45-E49 WeakPolarHBondContact O-CG 3.26Å; L45-E49 PolarHBondContact O-N 3.3Å; K46-E49 PolarHBondContact O-N 3.21Å; E49-N51 PolarHBondContact O-N 2.79Å
50	L	91	Very high	91	Very high	64 Å²	64	43 Å²	43	34%	0.335	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	17.1	172.5	-64.2	174.9	0	0	0	113.7	F11 Y18 K46 A47 A48 H52	F11-L50 HydrophobicContact CB-CD1 4.11Å; F11-L50 HydrophobicContact CB-CD2 4.49Å; F11-L50 HydrophobicContact CD1-CD1 4.42Å; F11-L50 HydrophobicContact CD2-CD1 4.42Å; F11-L50 HydrophobicContact CD2-CD2 3.57Å; F11-L50 HydrophobicContact CD2-CG 4.19Å; F11-L50 HydrophobicContact CE2-CD2 3.92Å; F11-L50 HydrophobicContact CE2-CG 4.43Å; F11-L50 HydrophobicContact CG-CD1 4.07Å; F11-L50 HydrophobicContact CG-CD2 4.07Å; F11-L50 HydrophobicContact CG-CG 4.3Å; Y18-L50 HydrophobicContact CD2-CD1 3.87Å; Y18-L50 HydrophobicContact CE2-CD1 3.95Å; K46-L50 PolarHBondContact O-N 3.02Å; A47-L50 CarbonylContact O-C 3.47Å; A47-L50 PolarHBondContact O-N 2.82Å; A48-L50 PolarHBondContact O-N 2.96Å; L50-H52 PolarHBondContact O-N 2.86Å
51	N	89.6	Confident	91.3	Very high	129 Å²	129	44.5 Å²	44.5	69%	0.69	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	30.9	179.3	-68.6	-41.3	0	0	0	114.9	A47 A48 E49 T53	A47-N51 PolarHBondContact O-N 3.12Å; A48-N51 WeakPolarHBondContact O-CA 3.26Å; A48-N51 PolarHBondContact O-N 2.93Å; E49-N51 PolarHBondContact O-N 2.79Å; N51-T53 PolarHBondContact O-N 2.61Å
52	H	92.3	Very high	91.3	Very high	39 Å²	39	45.6 Å²	45.6	18%	0.181	23%	0.227	C	C	.	.			trans	-71	115.2	175.2	-170.7	65.6	0	0	0	110.9	Y19 A47 L50 Q54 A55 L56	Y19-H52 VanDerWaalsContact CB-CD2 3.48Å; Y19-H52 WeakPolarHBondContact CB-CD2 3.42Å; Y19-H52 AromaticContact CD1-NE2 3.53Å; Y19-H52 AromaticContact CD2-CD2 3.64Å; Y19-H52 AromaticContact CD2-NE2 3.84Å; Y19-H52 AromaticContact CG-CD2 3.47Å; Y19-H52 VanDerWaalsContact CG-CD2 3.47Å; Y19-H52 AromaticContact CG-NE2 3.36Å; A47-H52 HydrophobicContact CB-CB 4.24Å; A47-H52 WeakPolarHBondContact O-CB 3.43Å; A47-H52 PolarHBondContact O-N 3.08Å; L50-H52 PolarHBondContact O-N 2.86Å; H52-Q54 PolarHBondContact O-N 3.4Å; H52-A55 HydrophobicContact CB-CB 4.1Å; H52-A55 PolarHBondContact CD2-N 3.45Å; H52-A55 PolarHBondContact O-N 3.37Å; H52-A55 VanDerWaalsContact O-N 3.14Å; H52-L56 WeakPolarHBondContact O-CG 3.41Å; H52-L56 PolarHBondContact O-N 2.86Å
53	T	92.3	Very high	91.3	Very high	64 Å²	64	40.7 Å²	40.7	39%	0.393	20%	0.204	S	C	.	.	H	α-helix	trans	-56.5	-46.9	-171.8	53	0	0	0	0	113.3	N51 A55 L56 E57	N51-T53 PolarHBondContact O-N 2.61Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 3.01Å; T53-L56 PolarHBondContact O-N 2.95Å; T53-E57 WeakPolarHBondContact O-CG 3.45Å; T53-E57 PolarHBondContact O-N 3.39Å
54	Q	91.8	Very high	91.1	Very high	84 Å²	84	40.3 Å²	40.3	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-68.6	-30.8	-178.7	-60.6	-179.1	-14.4	0	0	112.6	Y19 H52 M58	Y19-Q54 HydrophobicContact CD2-CB 4.33Å; Y19-Q54 HydrophobicContact CE1-CB 4.17Å; Y19-Q54 HydrophobicContact CE2-CB 3.67Å; Y19-Q54 PolarHBondContact OH-OE1 3.14Å; H52-Q54 PolarHBondContact O-N 3.4Å; Q54-M58 WeakPolarHBondContact O-CG 3.49Å; Q54-M58 PolarHBondContact O-N 3.25Å; Q54-M58 VanDerWaalsContact O-N 3.17Å
55	A	92.9	Very high	90.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-43.7	173.9	0	0	0	0	0	110.8	Y19 L44 A47 A48 H52 T53 E57 M58 I59	Y19-A55 HydrophobicContact CD2-CB 3.97Å; L44-A55 HydrophobicContact CD2-CB 4.07Å; A47-A55 HydrophobicContact CB-CB 3.64Å; A48-A55 HydrophobicContact CB-CB 4.48Å; H52-A55 HydrophobicContact CB-CB 4.1Å; H52-A55 PolarHBondContact CD2-N 3.45Å; H52-A55 PolarHBondContact O-N 3.37Å; H52-A55 VanDerWaalsContact O-N 3.14Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 3.01Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.02Å; A55-M58 PolarHBondContact O-N 3.45Å; A55-I59 WeakPolarHBondContact O-CB 3.15Å; A55-I59 WeakPolarHBondContact O-CG1 3.24Å; A55-I59 PolarHBondContact O-N 3.3Å
56	L	94.5	Very high	89.6	Confident	24 Å²	24	41.6 Å²	41.6	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-40.8	175.4	-70	168.5	0	0	0	111.7	A48 H52 T53 I59 A60 L79 L83	A48-L56 HydrophobicContact CB-CD2 3.56Å; A48-L56 HydrophobicContact CB-CG 4.07Å; H52-L56 WeakPolarHBondContact O-CG 3.41Å; H52-L56 PolarHBondContact O-N 2.86Å; T53-L56 PolarHBondContact O-N 2.95Å; L56-I59 PolarHBondContact O-N 2.74Å; L56-A60 WeakPolarHBondContact O-CB 3.21Å; L56-A60 PolarHBondContact O-N 3.17Å; L56-L79 HydrophobicContact CD2-CD2 4.19Å; L56-L83 HydrophobicContact CB-CD1 3.92Å; L56-L83 HydrophobicContact CB-CD2 4.04Å; L56-L83 HydrophobicContact CB-CG 4.47Å; L56-L83 HydrophobicContact CD1-CD2 4.14Å
57	E	93.8	Very high	88.5	Confident	19 Å²	19	42.9 Å²	42.9	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-50	172.8	-73.9	173.4	180	0	0	111.7	T53 A55 A60 F61 L83 S88 K90	T53-E57 WeakPolarHBondContact O-CG 3.45Å; T53-E57 PolarHBondContact O-N 3.39Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 3.02Å; E57-A60 PolarHBondContact O-N 2.89Å; E57-F61 WeakPolarHBondContact O-CD2 3.27Å; E57-F61 PolarHBondContact O-N 2.82Å; E57-L83 HydrophobicContact CG-CD1 4.14Å; E57-S88 VanDerWaalsContact CD-OG 3.3Å; E57-S88 WeakPolarHBondContact CG-OG 3.45Å; E57-S88 WeakPolarHBondContact OE1-CB 3.4Å; E57-S88 PolarHBondContact OE1-OG 3.18Å; E57-K90 HydrophobicContact CG-CB 4.24Å; E57-K90 WeakPolarHBondContact OE2-CD 3.3Å; E57-K90 WeakPolarHBondContact OE2-CE 3.36Å; E57-K90 IonicContact OE2-NZ 2.72Å; E57-K90 PolarHBondContact OE2-NZ 2.9Å
58	M	90.2	Very high	87.6	Confident	47 Å²	47	46.4 Å²	46.4	23%	0.232	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-45.7	179.5	-72.4	-178.6	68	0	0	111.6	Y19 V23 L26 L44 Q54 A55 A60 F61 E62	Y19-M58 HydrophobicContact CE2-SD 3.63Å; V23-M58 HydrophobicContact CG2-SD 4.5Å; L26-M58 HydrophobicContact CD1-CE 3.51Å; L44-M58 HydrophobicContact CD1-CE 3.88Å; L44-M58 HydrophobicContact CD1-SD 4.5Å; L44-M58 HydrophobicContact CD2-CE 4.47Å; L44-M58 HydrophobicContact CD2-SD 4.1Å; Q54-M58 WeakPolarHBondContact O-CG 3.49Å; Q54-M58 PolarHBondContact O-N 3.25Å; Q54-M58 VanDerWaalsContact O-N 3.17Å; A55-M58 PolarHBondContact O-N 3.45Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 3.18Å; M58-F61 PolarHBondContact O-N 3.32Å; M58-E62 VanDerWaalsContact O-CG 3.27Å; M58-E62 WeakPolarHBondContact O-CG 3.18Å; M58-E62 PolarHBondContact O-N 3.12Å
59	I	91.4	Very high	86.8	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178	-75.7	161.5	0	0	0	111.5	L44 L45 A48 A55 L56 E62 M63 L69 L79	L44-I59 HydrophobicContact CB-CD1 4.12Å; L44-I59 HydrophobicContact CB-CG1 4.31Å; L44-I59 VanDerWaalsContact O-CD1 3.29Å; L44-I59 WeakPolarHBondContact O-CD1 3.3Å; L45-I59 HydrophobicContact CD2-CD1 3.99Å; L45-I59 HydrophobicContact CD2-CG1 4.49Å; L45-I59 HydrophobicContact CG-CD1 4.44Å; A48-I59 HydrophobicContact CB-CD1 3.3Å; A55-I59 WeakPolarHBondContact O-CB 3.15Å; A55-I59 WeakPolarHBondContact O-CG1 3.24Å; A55-I59 PolarHBondContact O-N 3.3Å; L56-I59 PolarHBondContact O-N 2.74Å; I59-E62 PolarHBondContact O-N 3.08Å; I59-M63 HydrophobicContact CG2-CE 3.54Å; I59-M63 HydrophobicContact CG2-CG 4.28Å; I59-M63 HydrophobicContact CG2-SD 3.97Å; I59-M63 WeakPolarHBondContact O-CB 3.38Å; I59-M63 VanDerWaalsContact O-CG 3.3Å; I59-M63 WeakPolarHBondContact O-CG 3.44Å; I59-M63 PolarHBondContact O-N 3.01Å; I59-L69 HydrophobicContact CB-CD1 4.5Å; I59-L69 HydrophobicContact CG1-CD1 4.17Å; I59-L69 HydrophobicContact CG2-CD1 4.26Å; I59-L79 HydrophobicContact CG2-CD1 4.49Å
60	A	93	Very high	86	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-40.8	178.5	0	0	0	0	0	112.1	L56 E57 M58 L64 A76 L79 F80	L56-A60 WeakPolarHBondContact O-CB 3.21Å; L56-A60 PolarHBondContact O-N 3.17Å; E57-A60 PolarHBondContact O-N 2.89Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 3.18Å; A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 PolarHBondContact O-N 3.07Å; A60-A76 WeakPolarHBondContact O-CB 3.35Å; A60-L79 HydrophobicContact CB-CB 4.08Å; A60-L79 HydrophobicContact CB-CD1 4.42Å; A60-F80 HydrophobicContact CB-CD1 3.63Å; A60-F80 HydrophobicContact CB-CE1 3.31Å; A60-F80 HydrophobicContact CB-CE2 4.25Å; A60-F80 HydrophobicContact CB-CG 4.25Å; A60-F80 HydrophobicContact CB-CZ 3.66Å
61	F	90.8	Very high	85.3	Confident	33 Å²	33	51.9 Å²	51.9	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-38.5	173	-84.2	-74.7	0	0	0	112.7	E57 M58 L64 Y65 F80 K90 L93	E57-F61 WeakPolarHBondContact O-CD2 3.27Å; E57-F61 PolarHBondContact O-N 2.82Å; M58-F61 PolarHBondContact O-N 3.32Å; F61-L64 HydrophobicContact CD1-CD2 4.34Å; F61-L64 WeakPolarHBondContact O-CB 3.21Å; F61-L64 PolarHBondContact O-N 3.46Å; F61-L64 VanDerWaalsContact O-N 3.16Å; F61-Y65 HydrophobicContact CB-CD2 4.39Å; F61-Y65 HydrophobicContact CB-CE2 4.24Å; F61-Y65 HydrophobicContact CD1-CD2 4.46Å; F61-Y65 AromaticContact CD1-CE2 3.59Å; F61-Y65 HydrophobicContact CD1-CE2 3.59Å; F61-Y65 HydrophobicContact CE1-CE2 4.46Å; F61-Y65 HydrophobicContact CG-CE2 4.36Å; F61-Y65 WeakPolarHBondContact O-CD2 3.44Å; F61-Y65 PolarHBondContact O-N 3.06Å; F61-F80 HydrophobicContact CD1-CZ 4.13Å; F61-F80 AromaticContact CD2-CE1 3.93Å; F61-F80 HydrophobicContact CD2-CE1 3.93Å; F61-F80 HydrophobicContact CD2-CZ 4.12Å; F61-F80 HydrophobicContact CE1-CZ 4.28Å; F61-F80 AromaticContact CE2-CE1 3.85Å; F61-F80 HydrophobicContact CE2-CE1 3.85Å; F61-F80 HydrophobicContact CE2-CZ 4.22Å; F61-F80 HydrophobicContact CG-CE1 4.35Å; F61-F80 HydrophobicContact CG-CZ 4.06Å; F61-F80 HydrophobicContact CZ-CE1 4.24Å; F61-F80 HydrophobicContact CZ-CZ 4.32Å; F61-K90 HydrophobicContact CE2-CB 4.05Å; F61-K90 WeakPolarHBondContact CE2-O 3.39Å; F61-K90 VanDerWaalsContact CZ-O 3.31Å; F61-K90 WeakPolarHBondContact CZ-O 3.34Å; F61-L93 HydrophobicContact CZ-CD2 4.34Å; F61-L93 HydrophobicContact CZ-CG 4.43Å
62	E	86.1	Confident	85	Confident	34 Å²	34	48.7 Å²	48.7	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-36.7	177.5	-70.4	-80.1	164.1	0	0	112.5	F41 M58 I59 L64 G66 N68 L69	F41-E62 HydrophobicContact CD1-CG 4.48Å; F41-E62 HydrophobicContact CE1-CB 4.36Å; F41-E62 HydrophobicContact CE1-CG 3.5Å; F41-E62 VanDerWaalsContact CE1-CG 3.5Å; F41-E62 HydrophobicContact CZ-CG 3.79Å; F41-E62 VanDerWaalsContact CZ-OE1 3.27Å; F41-E62 WeakPolarHBondContact CZ-OE1 3.41Å; M58-E62 VanDerWaalsContact O-CG 3.27Å; M58-E62 WeakPolarHBondContact O-CG 3.18Å; M58-E62 PolarHBondContact O-N 3.12Å; I59-E62 PolarHBondContact O-N 3.08Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.77Å; E62-G66 VanDerWaalsContact O-CA 3.26Å; E62-G66 WeakPolarHBondContact O-CA 3.37Å; E62-G66 PolarHBondContact O-N 3.12Å; E62-N68 PolarHBondContact OE1-ND2 3.2Å; E62-N68 WeakPolarHBondContact OE2-CB 3.35Å; E62-N68 PolarHBondContact OE2-N 2.82Å; E62-N68 VanDerWaalsContact OE2-N 3.17Å; E62-N68 PolarHBondContact OE2-ND2 3Å; E62-L69 HydrophobicContact CB-CB 4.2Å; E62-L69 HydrophobicContact CB-CD1 3.61Å; E62-L69 HydrophobicContact CB-CG 4.42Å; E62-L69 HydrophobicContact CG-CD1 4.44Å
63	M	87.7	Confident	84.7	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.069	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-32.5	170	-73	177.6	176.4	0	0	111.9	I59 W71 D72 K75 A76 L79	I59-M63 HydrophobicContact CG2-CE 3.54Å; I59-M63 HydrophobicContact CG2-CG 4.28Å; I59-M63 HydrophobicContact CG2-SD 3.97Å; I59-M63 WeakPolarHBondContact O-CB 3.38Å; I59-M63 VanDerWaalsContact O-CG 3.3Å; I59-M63 WeakPolarHBondContact O-CG 3.44Å; I59-M63 PolarHBondContact O-N 3.01Å; M63-W71 WeakPolarHBondContact O-CA 3.39Å; M63-W71 VanDerWaalsContact O-CD1 3.31Å; M63-D72 PolarHBondContact O-N 2.89Å; M63-K75 HydrophobicContact CE-CD 3.92Å; M63-K75 HydrophobicContact SD-CB 4.4Å; M63-K75 HydrophobicContact SD-CD 3.94Å; M63-K75 HydrophobicContact SD-CG 4Å; M63-A76 HydrophobicContact CB-CB 3.83Å; M63-L79 HydrophobicContact CE-CD1 4.47Å; M63-L79 HydrophobicContact SD-CD1 3.78Å
64	L	86	Confident	84.6	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-72.7	-44.1	178.1	177.2	66.6	0	0	0	112.6	A60 F61 E62 W71 A76 F80 F97 M98 I103	A60-L64 WeakPolarHBondContact O-CB 3.34Å; A60-L64 PolarHBondContact O-N 3.07Å; F61-L64 HydrophobicContact CD1-CD2 4.34Å; F61-L64 WeakPolarHBondContact O-CB 3.21Å; F61-L64 PolarHBondContact O-N 3.46Å; F61-L64 VanDerWaalsContact O-N 3.16Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.77Å; L64-W71 PolarHBondContact O-NE1 3.48Å; L64-A76 HydrophobicContact CB-CB 4.24Å; L64-F80 HydrophobicContact CB-CE2 4.26Å; L64-F80 HydrophobicContact CD2-CE2 4.01Å; L64-F80 HydrophobicContact CD2-CZ 4.29Å; L64-F97 HydrophobicContact CD2-CD1 3.88Å; L64-F97 HydrophobicContact CD2-CE1 4.2Å; L64-M98 HydrophobicContact CD1-CE 4.1Å; L64-M98 HydrophobicContact CD1-CG 3.76Å; L64-M98 HydrophobicContact CD1-SD 3.97Å; L64-M98 HydrophobicContact CD2-CG 4.3Å; L64-I103 HydrophobicContact CD1-CG2 4.07Å
65	Y	78.4	Confident	84.6	Confident	76 Å²	76	48 Å²	48	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-85.8	-42.3	-178.3	-62.3	-51	0	0	0	112.3	F61 F97	F61-Y65 HydrophobicContact CB-CD2 4.39Å; F61-Y65 HydrophobicContact CB-CE2 4.24Å; F61-Y65 HydrophobicContact CD1-CD2 4.46Å; F61-Y65 AromaticContact CD1-CE2 3.59Å; F61-Y65 HydrophobicContact CD1-CE2 3.59Å; F61-Y65 HydrophobicContact CE1-CE2 4.46Å; F61-Y65 HydrophobicContact CG-CE2 4.36Å; F61-Y65 WeakPolarHBondContact O-CD2 3.44Å; F61-Y65 PolarHBondContact O-N 3.06Å; Y65-F97 HydrophobicContact CE1-CE1 4.2Å; Y65-F97 HydrophobicContact CE1-CZ 4.42Å
66	G	73.5	Confident	84.6	Confident	17 Å²	17	48 Å²	48	18%	0.175	23%	0.234	C	C	.	.			trans	86.6	25.6	178	0	0	0	0	0	114.6	E62 L69	E62-G66 VanDerWaalsContact O-CA 3.26Å; E62-G66 WeakPolarHBondContact O-CA 3.37Å; E62-G66 PolarHBondContact O-N 3.12Å; G66-L69 CarbonylContact C-O 3.24Å; G66-L69 WeakPolarHBondContact CA-O 3.26Å
67	D	68.5	Low	84.6	Confident	107 Å²	107	49.4 Å²	49.4	57%	0.572	24%	0.238	S	C	*	.	S	Bend	trans	-76.2	-49.8	-174.2	-65.4	-26.5	0	0	0	112.1
68	N	72.8	Confident	84.7	Confident	74 Å²	74	53.1 Å²	53.1	40%	0.396	26%	0.259	S	S	.	.	S	Bend	trans	-114.2	-26.8	179.5	-56.2	-77.3	0	0	0	113.8	F41 E62	F41-N68 HydrophobicContact CD1-CB 4.5Å; F41-N68 HydrophobicContact CD2-CB 3.31Å; F41-N68 HydrophobicContact CE1-CB 4.47Å; F41-N68 HydrophobicContact CE2-CB 3.27Å; F41-N68 WeakPolarHBondContact CE2-ND2 2.96Å; F41-N68 HydrophobicContact CG-CB 3.99Å; F41-N68 HydrophobicContact CZ-CB 3.88Å; F41-N68 WeakPolarHBondContact CZ-ND2 3.49Å; E62-N68 PolarHBondContact OE1-ND2 3.2Å; E62-N68 WeakPolarHBondContact OE2-CB 3.35Å; E62-N68 PolarHBondContact OE2-N 2.82Å; E62-N68 VanDerWaalsContact OE2-N 3.17Å; E62-N68 PolarHBondContact OE2-ND2 3Å
69	L	75	Confident	84.9	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.157	26%	0.256	C	S	.	.	S	Bend	trans	-103.4	156.1	175.8	-81.4	150.5	0	0	0	110.3	F41 L45 I59 E62 G66 W71	F41-L69 HydrophobicContact CD1-CD1 3.91Å; F41-L69 HydrophobicContact CD1-CG 4.48Å; F41-L69 HydrophobicContact CE1-CD1 4.42Å; L45-L69 HydrophobicContact CD1-CD2 4.21Å; L45-L69 HydrophobicContact CD2-CD2 4.24Å; I59-L69 HydrophobicContact CB-CD1 4.5Å; I59-L69 HydrophobicContact CG1-CD1 4.17Å; I59-L69 HydrophobicContact CG2-CD1 4.26Å; E62-L69 HydrophobicContact CB-CB 4.2Å; E62-L69 HydrophobicContact CB-CD1 3.61Å; E62-L69 HydrophobicContact CB-CG 4.42Å; E62-L69 HydrophobicContact CG-CD1 4.44Å; G66-L69 CarbonylContact C-O 3.24Å; G66-L69 WeakPolarHBondContact CA-O 3.26Å; L69-W71 PolarHBondContact O-N 2.69Å
70	K	73.8	Confident	85.2	Confident	191 Å²	191	52.3 Å²	52.3	83%	0.83	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-60.5	128.6	172.5	-173.5	179.8	177.7	-175.6	0	108.9	D72	K70-D72 PolarHBondContact O-N 3.28Å
71	W	75.9	Confident	85.3	Confident	99 Å²	99	55.2 Å²	55.2	38%	0.375	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.1	124.6	176.2	-177.9	80.4	0	0	0	111	M63 L64 L69 A73 I103 R414	M63-W71 WeakPolarHBondContact O-CA 3.39Å; M63-W71 VanDerWaalsContact O-CD1 3.31Å; L64-W71 PolarHBondContact O-NE1 3.48Å; L69-W71 PolarHBondContact O-N 2.69Å; W71-A73 HydrophobicContact CH2-CB 3.95Å; W71-A73 HydrophobicContact CZ2-CB 3.34Å; W71-I103 HydrophobicContact CZ2-CG2 4.39Å; W71-R414 VanDerWaalsContact NE1-NH2 3.2Å
72	D	84	Confident	85.5	Confident	62 Å²	62	56 Å²	56	33%	0.332	28%	0.278	S	S	.	.			trans	-150	78.5	178.7	-169.7	-15.1	0	0	0	108.7	M63 K70 P74 K75 A76	M63-D72 PolarHBondContact O-N 2.89Å; K70-D72 PolarHBondContact O-N 3.28Å; D72-P74 WeakPolarHBondContact OD1-CD 3.32Å; D72-K75 HydrophobicContact CB-CB 4.05Å; D72-K75 PolarHBondContact O-N 2.9Å; D72-K75 VanDerWaalsContact OD1-CB 3.31Å; D72-K75 WeakPolarHBondContact OD1-CB 3.43Å; D72-K75 PolarHBondContact OD1-N 2.91Å; D72-K75 VanDerWaalsContact OD1-N 3.12Å; D72-K75 VanDerWaalsContact OD2-CB 3.28Å; D72-K75 WeakPolarHBondContact OD2-CB 3.43Å; D72-K75 WeakPolarHBondContact OD2-CD 3.33Å; D72-A76 WeakPolarHBondContact O-CB 3.36Å; D72-A76 PolarHBondContact O-N 2.78Å
73	A	85.7	Confident	86	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-38.7	-177	0	0	0	0	0	114.4	W71 A76 K77 M98 I103 A104	W71-A73 HydrophobicContact CH2-CB 3.95Å; W71-A73 HydrophobicContact CZ2-CB 3.34Å; A73-A76 PolarHBondContact O-N 2.86Å; A73-K77 WeakPolarHBondContact O-CB 3.26Å; A73-K77 PolarHBondContact O-N 2.96Å; A73-M98 HydrophobicContact CB-CE 4.44Å; A73-I103 HydrophobicContact CB-CG2 3.6Å; A73-A104 HydrophobicContact CB-CB 3.84Å
74	P	90.9	Very high	86.4	Confident	71 Å²	71	54.7 Å²	54.7	46%	0.461	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-46.1	172.8	-25	35.2	0	0	0	112.4	D72 A76 K77 D78 A104	D72-P74 WeakPolarHBondContact OD1-CD 3.32Å; P74-A76 PolarHBondContact O-N 2.86Å; P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.32Å; P74-K77 PolarHBondContact O-N 3.11Å; P74-D78 PolarHBondContact O-N 3Å; P74-A104 HydrophobicContact CG-CB 4.5Å
75	K	91.4	Very high	86.8	Confident	103 Å²	103	62.9 Å²	62.9	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-38.7	177.3	-171	176.9	-179.4	178.7	0	112.5	M63 D72 K77 D78 L79	M63-K75 HydrophobicContact CE-CD 3.92Å; M63-K75 HydrophobicContact SD-CB 4.4Å; M63-K75 HydrophobicContact SD-CD 3.94Å; M63-K75 HydrophobicContact SD-CG 4Å; D72-K75 HydrophobicContact CB-CB 4.05Å; D72-K75 PolarHBondContact O-N 2.9Å; D72-K75 VanDerWaalsContact OD1-CB 3.31Å; D72-K75 WeakPolarHBondContact OD1-CB 3.43Å; D72-K75 PolarHBondContact OD1-N 2.91Å; D72-K75 VanDerWaalsContact OD1-N 3.12Å; D72-K75 VanDerWaalsContact OD2-CB 3.28Å; D72-K75 WeakPolarHBondContact OD2-CB 3.43Å; D72-K75 WeakPolarHBondContact OD2-CD 3.33Å; K75-K77 VanDerWaalsContact C-N 3.29Å; K75-K77 PolarHBondContact O-N 3.02Å; K75-D78 PolarHBondContact O-N 3.24Å; K75-L79 WeakPolarHBondContact O-CB 3.46Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.32Å
76	A	92.9	Very high	87.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.9	-43	172.9	0	0	0	0	0	111.1	A60 M63 L64 D72 A73 P74 L79 F80	A60-A76 WeakPolarHBondContact O-CB 3.35Å; M63-A76 HydrophobicContact CB-CB 3.83Å; L64-A76 HydrophobicContact CB-CB 4.24Å; D72-A76 WeakPolarHBondContact O-CB 3.36Å; D72-A76 PolarHBondContact O-N 2.78Å; A73-A76 PolarHBondContact O-N 2.86Å; P74-A76 PolarHBondContact O-N 2.86Å; A76-L79 PolarHBondContact O-N 3.31Å; A76-F80 HydrophobicContact CB-CD2 4.44Å; A76-F80 HydrophobicContact CB-CE2 4.16Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 WeakPolarHBondContact O-CD2 3.44Å; A76-F80 VanDerWaalsContact O-CG 3.25Å; A76-F80 WeakPolarHBondContact O-CG 3.32Å; A76-F80 PolarHBondContact O-N 3.04Å
77	K	94.5	Very high	88.3	Confident	52 Å²	52	66.9 Å²	66.9	23%	0.226	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-51.5	175.7	-176.8	-165.4	167.5	-169.6	0	111.4	A73 P74 K75 L79 F80 E81 L95 M98 T105	A73-K77 WeakPolarHBondContact O-CB 3.26Å; A73-K77 PolarHBondContact O-N 2.96Å; P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.32Å; P74-K77 PolarHBondContact O-N 3.11Å; K75-K77 VanDerWaalsContact C-N 3.29Å; K75-K77 PolarHBondContact O-N 3.02Å; K77-L79 VanDerWaalsContact C-N 3.27Å; K77-L79 PolarHBondContact O-N 2.98Å; K77-F80 CarbonylContact O-C 3.56Å; K77-F80 PolarHBondContact O-N 3.14Å; K77-F80 VanDerWaalsContact O-N 3.11Å; K77-E81 WeakPolarHBondContact CE-OE1 3.25Å; K77-E81 HydrophobicContact CG-CG 4.48Å; K77-E81 IonicContact NZ-OE1 2.87Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.31Å; K77-L95 HydrophobicContact CG-CD2 4.4Å; K77-M98 HydrophobicContact CB-CE 3.74Å; K77-M98 HydrophobicContact CB-SD 4.25Å; K77-M98 HydrophobicContact CG-CE 4.36Å; K77-T105 HydrophobicContact CD-CG2 3.61Å; K77-T105 HydrophobicContact CG-CG2 4.21Å
78	D	95.6	Very high	89.6	Confident	98 Å²	98	62.4 Å²	62.4	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-41.7	-178.9	-66.1	-18.1	0	0	0	111.1	P74 K75 E81 S82	P74-D78 PolarHBondContact O-N 3Å; K75-D78 PolarHBondContact O-N 3.24Å; D78-E81 PolarHBondContact O-N 2.88Å; D78-S82 WeakPolarHBondContact O-CB 3.15Å; D78-S82 PolarHBondContact O-N 3.12Å
79	L	95	Very high	90.7	Very high	33 Å²	33	60.5 Å²	60.5	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-49.5	172.5	-76.9	173.4	0	0	0	111.6	L56 I59 A60 M63 K75 A76 K77 E81 S82 L83	L56-L79 HydrophobicContact CD2-CD2 4.19Å; I59-L79 HydrophobicContact CG2-CD1 4.49Å; A60-L79 HydrophobicContact CB-CB 4.08Å; A60-L79 HydrophobicContact CB-CD1 4.42Å; M63-L79 HydrophobicContact CE-CD1 4.47Å; M63-L79 HydrophobicContact SD-CD1 3.78Å; K75-L79 WeakPolarHBondContact O-CB 3.46Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.32Å; A76-L79 PolarHBondContact O-N 3.31Å; K77-L79 VanDerWaalsContact C-N 3.27Å; K77-L79 PolarHBondContact O-N 2.98Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.37Å; L79-S82 PolarHBondContact O-N 2.74Å; L79-S82 PolarHBondContact O-OG 3.36Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.95Å
80	F	96.9	Very high	91.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-38.4	178.1	-69.9	-48.4	0	0	0	112.8	A60 F61 L64 A76 K77 S84 S91 L95 M98	A60-F80 HydrophobicContact CB-CD1 3.63Å; A60-F80 HydrophobicContact CB-CE1 3.31Å; A60-F80 HydrophobicContact CB-CE2 4.25Å; A60-F80 HydrophobicContact CB-CG 4.25Å; A60-F80 HydrophobicContact CB-CZ 3.66Å; F61-F80 HydrophobicContact CD1-CZ 4.13Å; F61-F80 AromaticContact CD2-CE1 3.93Å; F61-F80 HydrophobicContact CD2-CE1 3.93Å; F61-F80 HydrophobicContact CD2-CZ 4.12Å; F61-F80 HydrophobicContact CE1-CZ 4.28Å; F61-F80 AromaticContact CE2-CE1 3.85Å; F61-F80 HydrophobicContact CE2-CE1 3.85Å; F61-F80 HydrophobicContact CE2-CZ 4.22Å; F61-F80 HydrophobicContact CG-CE1 4.35Å; F61-F80 HydrophobicContact CG-CZ 4.06Å; F61-F80 HydrophobicContact CZ-CE1 4.24Å; F61-F80 HydrophobicContact CZ-CZ 4.32Å; L64-F80 HydrophobicContact CB-CE2 4.26Å; L64-F80 HydrophobicContact CD2-CE2 4.01Å; L64-F80 HydrophobicContact CD2-CZ 4.29Å; A76-F80 HydrophobicContact CB-CD2 4.44Å; A76-F80 HydrophobicContact CB-CE2 4.16Å; A76-F80 WeakPolarHBondContact O-CB 3.47Å; A76-F80 WeakPolarHBondContact O-CD2 3.44Å; A76-F80 VanDerWaalsContact O-CG 3.25Å; A76-F80 WeakPolarHBondContact O-CG 3.32Å; A76-F80 PolarHBondContact O-N 3.04Å; K77-F80 CarbonylContact O-C 3.56Å; K77-F80 PolarHBondContact O-N 3.14Å; K77-F80 VanDerWaalsContact O-N 3.11Å; F80-S84 WeakPolarHBondContact O-CA 3.44Å; F80-S84 WeakPolarHBondContact O-CB 3.23Å; F80-S84 PolarHBondContact O-N 2.81Å; F80-S91 WeakPolarHBondContact O-CB 3.41Å; F80-L95 HydrophobicContact CB-CD1 4.4Å; F80-L95 HydrophobicContact CB-CD2 3.77Å; F80-L95 HydrophobicContact CB-CG 3.77Å; F80-M98 HydrophobicContact CD2-SD 3.66Å; F80-M98 HydrophobicContact CE2-SD 3.9Å
81	E	96.1	Very high	92.6	Very high	62 Å²	62	53.1 Å²	53.1	29%	0.29	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-42.6	174.9	-73.6	-173.3	-179.6	0	0	111.4	K77 D78 L79 K85 L95	K77-E81 WeakPolarHBondContact CE-OE1 3.25Å; K77-E81 HydrophobicContact CG-CG 4.48Å; K77-E81 IonicContact NZ-OE1 2.87Å; K77-E81 WeakPolarHBondContact O-CG 3.46Å; K77-E81 PolarHBondContact O-N 3.31Å; D78-E81 PolarHBondContact O-N 2.88Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.37Å; E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 3.44Å; E81-K85 VanDerWaalsContact O-N 3.13Å; E81-L95 HydrophobicContact CG-CD1 4.28Å; E81-L95 HydrophobicContact CG-CD2 3.96Å
82	S	95.6	Very high	93.7	Very high	49 Å²	49	49.5 Å²	49.5	34%	0.343	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-44.1	177.6	76.6	0	0	0	0	112.4	D78 L79 Q86	D78-S82 WeakPolarHBondContact O-CB 3.15Å; D78-S82 PolarHBondContact O-N 3.12Å; L79-S82 PolarHBondContact O-N 2.74Å; L79-S82 PolarHBondContact O-OG 3.36Å; S82-Q86 PolarHBondContact O-N 2.91Å
83	L	96	Very high	94.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-75.3	-34.8	179.8	-69.4	171.1	0	0	0	112.3	L56 E57 L79 K85 Q86 G87 S88 S91	L56-L83 HydrophobicContact CB-CD1 3.92Å; L56-L83 HydrophobicContact CB-CD2 4.04Å; L56-L83 HydrophobicContact CB-CG 4.47Å; L56-L83 HydrophobicContact CD1-CD2 4.14Å; E57-L83 HydrophobicContact CG-CD1 4.14Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.86Å; L83-Q86 CarbonylContact O-C 3.6Å; L83-Q86 WeakPolarHBondContact O-CA 3.38Å; L83-Q86 WeakPolarHBondContact O-CB 3.3Å; L83-Q86 PolarHBondContact O-N 2.77Å; L83-G87 PolarHBondContact O-N 3Å; L83-S88 WeakPolarHBondContact O-CB 3.46Å; L83-S88 PolarHBondContact O-N 3.17Å; L83-S91 WeakPolarHBondContact CB-OG 3.49Å; L83-S91 VanDerWaalsContact CD1-OG 3.3Å; L83-S91 WeakPolarHBondContact CD1-OG 3.31Å
84	S	95.2	Very high	94.7	Very high	20 Å²	20	47.3 Å²	47.3	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174.8	178.2	0	0	0	0	111.2	F80 Q86 G87 Q92	F80-S84 WeakPolarHBondContact O-CA 3.44Å; F80-S84 WeakPolarHBondContact O-CB 3.23Å; F80-S84 PolarHBondContact O-N 2.81Å; S84-Q86 PolarHBondContact O-N 2.93Å; S84-G87 WeakPolarHBondContact O-CA 3.41Å; S84-G87 PolarHBondContact O-N 3.42Å; S84-Q92 WeakPolarHBondContact OG-CG 3.07Å
85	K	94.2	Very high	94.9	Very high	176 Å²	176	44 Å²	44	77%	0.765	23%	0.228	S	C	*	.	H	α-helix	trans	-62.3	-28.3	171.5	-71.6	169.3	-174.4	172	0	112.9	E81 L83 G87	E81-K85 VanDerWaalsContact O-CG 3.3Å; E81-K85 WeakPolarHBondContact O-CG 3.44Å; E81-K85 PolarHBondContact O-N 3.44Å; E81-K85 VanDerWaalsContact O-N 3.13Å; L83-K85 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 2.86Å; K85-G87 VanDerWaalsContact C-N 3.26Å
86	Q	92.1	Very high	95.1	Very high	130 Å²	130	39 Å²	39	61%	0.607	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.1	173.1	-61.8	172.9	9.9	0	0	113	S82 L83 S84	S82-Q86 PolarHBondContact O-N 2.91Å; L83-Q86 CarbonylContact O-C 3.6Å; L83-Q86 WeakPolarHBondContact O-CA 3.38Å; L83-Q86 WeakPolarHBondContact O-CB 3.3Å; L83-Q86 PolarHBondContact O-N 2.77Å; S84-Q86 PolarHBondContact O-N 2.93Å
87	G	91.8	Very high	95.1	Very high	46 Å²	46	41.8 Å²	41.8	47%	0.474	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	14.3	-179.7	0	0	0	0	0	114.8	L83 S84 K85 T89	L83-G87 PolarHBondContact O-N 3Å; S84-G87 WeakPolarHBondContact O-CA 3.41Å; S84-G87 PolarHBondContact O-N 3.42Å; K85-G87 VanDerWaalsContact C-N 3.26Å; G87-T89 PolarHBondContact O-N 3.2Å
88	S	95.1	Very high	95	Very high	13 Å²	13	39.3 Å²	39.3	9%	0.091	21%	0.207	C	C	.	.			trans	-64.9	118.4	175.6	173.4	0	0	0	0	111.4	E57 L83 S91 Q92	E57-S88 VanDerWaalsContact CD-OG 3.3Å; E57-S88 WeakPolarHBondContact CG-OG 3.45Å; E57-S88 WeakPolarHBondContact OE1-CB 3.4Å; E57-S88 PolarHBondContact OE1-OG 3.18Å; L83-S88 WeakPolarHBondContact O-CB 3.46Å; L83-S88 PolarHBondContact O-N 3.17Å; S88-S91 WeakPolarHBondContact CB-OG 3.43Å; S88-S91 PolarHBondContact O-N 3.39Å; S88-S91 PolarHBondContact OG-N 3.13Å; S88-S91 PolarHBondContact OG-OG 3.26Å; S88-S91 VanDerWaalsContact OG-OG 3.11Å; S88-Q92 VanDerWaalsContact O-CG 3.32Å; S88-Q92 WeakPolarHBondContact O-CG 3.38Å; S88-Q92 PolarHBondContact O-N 3.32Å
89	T	96.1	Very high	94.9	Very high	35 Å²	35	35.6 Å²	35.6	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-37.4	179.5	57.8	0	0	0	0	111.5	G87 Q92 L93 A119 E124	G87-T89 PolarHBondContact O-N 3.2Å; T89-Q92 WeakPolarHBondContact O-CB 3.36Å; T89-Q92 PolarHBondContact O-N 2.96Å; T89-L93 PolarHBondContact O-N 3.17Å; T89-A119 WeakPolarHBondContact O-CB 3.44Å; T89-E124 PolarHBondContact OG1-OE1 2.83Å
90	K	94.9	Very high	94.6	Very high	65 Å²	65	34.8 Å²	34.8	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-39.1	174.4	-71.8	-159.3	-152.3	127.5	0	112.1	E57 F61 L93 G94 E124	E57-K90 HydrophobicContact CG-CB 4.24Å; E57-K90 WeakPolarHBondContact OE2-CD 3.3Å; E57-K90 WeakPolarHBondContact OE2-CE 3.36Å; E57-K90 IonicContact OE2-NZ 2.72Å; E57-K90 PolarHBondContact OE2-NZ 2.9Å; F61-K90 HydrophobicContact CE2-CB 4.05Å; F61-K90 WeakPolarHBondContact CE2-O 3.39Å; F61-K90 VanDerWaalsContact CZ-O 3.31Å; F61-K90 WeakPolarHBondContact CZ-O 3.34Å; K90-L93 WeakPolarHBondContact O-CB 3.33Å; K90-L93 PolarHBondContact O-N 3.38Å; K90-G94 PolarHBondContact O-N 3.02Å; K90-E124 WeakPolarHBondContact CG-OE1 3.12Å
91	S	95.6	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.9	-36.6	175.7	-57.5	0	0	0	0	112.6	F80 L83 S88 L93 G94 L95	F80-S91 WeakPolarHBondContact O-CB 3.41Å; L83-S91 WeakPolarHBondContact CB-OG 3.49Å; L83-S91 VanDerWaalsContact CD1-OG 3.3Å; L83-S91 WeakPolarHBondContact CD1-OG 3.31Å; S88-S91 WeakPolarHBondContact CB-OG 3.43Å; S88-S91 PolarHBondContact O-N 3.39Å; S88-S91 PolarHBondContact OG-N 3.13Å; S88-S91 PolarHBondContact OG-OG 3.26Å; S88-S91 VanDerWaalsContact OG-OG 3.11Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-G94 PolarHBondContact O-N 3.43Å; S91-L95 WeakPolarHBondContact O-CG 3.37Å; S91-L95 PolarHBondContact O-N 3.45Å
92	Q	97.4	Very high	93.3	Very high	24 Å²	24	33.9 Å²	33.9	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-43.3	169.5	-69	163.8	0.6	0	0	111	S84 S88 T89 G94 L95 A96 Y115 F118 A119	S84-Q92 WeakPolarHBondContact OG-CG 3.07Å; S88-Q92 VanDerWaalsContact O-CG 3.32Å; S88-Q92 WeakPolarHBondContact O-CG 3.38Å; S88-Q92 PolarHBondContact O-N 3.32Å; T89-Q92 WeakPolarHBondContact O-CB 3.36Å; T89-Q92 PolarHBondContact O-N 2.96Å; Q92-G94 VanDerWaalsContact C-N 3.33Å; Q92-G94 PolarHBondContact O-N 3.3Å; Q92-L95 PolarHBondContact O-N 3.38Å; Q92-A96 VanDerWaalsContact O-CB 3.31Å; Q92-A96 WeakPolarHBondContact O-CB 3.35Å; Q92-A96 PolarHBondContact O-N 3.19Å; Q92-Y115 HydrophobicContact CB-CD1 4.4Å; Q92-Y115 HydrophobicContact CG-CD1 4.37Å; Q92-Y115 WeakPolarHBondContact O-CB 3.21Å; Q92-F118 HydrophobicContact CG-CB 4.47Å; Q92-F118 PolarHBondContact OE1-O 3.35Å; Q92-A119 HydrophobicContact CB-CB 3.95Å
93	L	96.4	Very high	92.7	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-44.1	172.5	171.4	67.9	0	0	0	111.7	F61 T89 K90 S91 A96 F97 Y116 A119 L126 A127	F61-L93 HydrophobicContact CZ-CD2 4.34Å; F61-L93 HydrophobicContact CZ-CG 4.43Å; T89-L93 PolarHBondContact O-N 3.17Å; K90-L93 WeakPolarHBondContact O-CB 3.33Å; K90-L93 PolarHBondContact O-N 3.38Å; S91-L93 VanDerWaalsContact C-N 3.33Å; L93-A96 WeakPolarHBondContact O-CB 3.37Å; L93-A96 PolarHBondContact O-N 3.26Å; L93-F97 WeakPolarHBondContact O-CB 3.43Å; L93-F97 PolarHBondContact O-N 3.05Å; L93-Y116 HydrophobicContact CD1-CD1 4.18Å; L93-Y116 HydrophobicContact CD1-CE1 3.82Å; L93-A119 HydrophobicContact CB-CB 4.05Å; L93-L126 HydrophobicContact CD1-CB 4.17Å; L93-L126 HydrophobicContact CD2-CB 3.91Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å; L93-A127 HydrophobicContact CD1-CB 4.09Å
94	G	94.6	Very high	92.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-50.6	175.3	0	0	0	0	0	112.2	K90 S91 Q92 A96 F97 M98	K90-G94 PolarHBondContact O-N 3.02Å; S91-G94 PolarHBondContact O-N 3.43Å; Q92-G94 VanDerWaalsContact C-N 3.33Å; Q92-G94 PolarHBondContact O-N 3.3Å; G94-A96 PolarHBondContact O-N 2.77Å; G94-F97 WeakPolarHBondContact O-CB 3.31Å; G94-F97 PolarHBondContact O-N 3.26Å; G94-M98 VanDerWaalsContact O-CG 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.48Å; G94-M98 PolarHBondContact O-N 3.5Å
95	L	96.1	Very high	91.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-40.7	175.7	-68.3	172.2	0	0	0	112.2	K77 F80 E81 S91 Q92 F97 M98 H99 Y115	K77-L95 HydrophobicContact CG-CD2 4.4Å; F80-L95 HydrophobicContact CB-CD1 4.4Å; F80-L95 HydrophobicContact CB-CD2 3.77Å; F80-L95 HydrophobicContact CB-CG 3.77Å; E81-L95 HydrophobicContact CG-CD1 4.28Å; E81-L95 HydrophobicContact CG-CD2 3.96Å; S91-L95 WeakPolarHBondContact O-CG 3.37Å; S91-L95 PolarHBondContact O-N 3.45Å; Q92-L95 PolarHBondContact O-N 3.38Å; L95-F97 VanDerWaalsContact C-N 3.3Å; L95-F97 PolarHBondContact O-N 2.85Å; L95-M98 PolarHBondContact O-N 2.92Å; L95-H99 WeakPolarHBondContact O-CB 3.48Å; L95-H99 PolarHBondContact O-CD2 3.49Å; L95-H99 PolarHBondContact O-N 3.03Å; L95-Y115 HydrophobicContact CB-CD1 4.23Å; L95-Y115 HydrophobicContact CB-CD2 3.9Å; L95-Y115 HydrophobicContact CB-CE1 4.37Å; L95-Y115 HydrophobicContact CB-CE2 4.03Å; L95-Y115 HydrophobicContact CB-CG 4Å; L95-Y115 HydrophobicContact CD1-CD1 4.28Å; L95-Y115 HydrophobicContact CD1-CE1 3.75Å; L95-Y115 HydrophobicContact CD1-CE2 4.34Å
96	A	95.3	Very high	91.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.5	0	0	0	0	0	110.9	Q92 L93 G94 S100 A112 Y116	Q92-A96 VanDerWaalsContact O-CB 3.31Å; Q92-A96 WeakPolarHBondContact O-CB 3.35Å; Q92-A96 PolarHBondContact O-N 3.19Å; L93-A96 WeakPolarHBondContact O-CB 3.37Å; L93-A96 PolarHBondContact O-N 3.26Å; G94-A96 PolarHBondContact O-N 2.77Å; A96-S100 WeakPolarHBondContact O-CB 3.39Å; A96-S100 PolarHBondContact O-N 2.79Å; A96-S100 PolarHBondContact O-OG 2.94Å; A96-A112 WeakPolarHBondContact O-CB 3.3Å; A96-Y116 HydrophobicContact CB-CD1 3.51Å; A96-Y116 HydrophobicContact CB-CD2 3.75Å; A96-Y116 HydrophobicContact CB-CE1 3.62Å; A96-Y116 HydrophobicContact CB-CE2 3.81Å; A96-Y116 HydrophobicContact CB-CG 3.57Å
97	F	92.7	Very high	90.8	Very high	57 Å²	57	32 Å²	32	25%	0.25	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-53.9	174.1	178.7	-99.8	0	0	0	110.5	L64 Y65 L93 G94 L95 H99 S100 V101 I103 Y116	L64-F97 HydrophobicContact CD2-CD1 3.88Å; L64-F97 HydrophobicContact CD2-CE1 4.2Å; Y65-F97 HydrophobicContact CE1-CE1 4.2Å; Y65-F97 HydrophobicContact CE1-CZ 4.42Å; L93-F97 WeakPolarHBondContact O-CB 3.43Å; L93-F97 PolarHBondContact O-N 3.05Å; G94-F97 WeakPolarHBondContact O-CB 3.31Å; G94-F97 PolarHBondContact O-N 3.26Å; L95-F97 VanDerWaalsContact C-N 3.3Å; L95-F97 PolarHBondContact O-N 2.85Å; F97-H99 PolarHBondContact O-N 3.28Å; F97-S100 WeakPolarHBondContact CA-OG 3.48Å; F97-S100 PolarHBondContact O-N 3.32Å; F97-S100 VanDerWaalsContact O-N 3.08Å; F97-S100 PolarHBondContact O-OG 2.82Å; F97-V101 HydrophobicContact CD1-CG2 4.36Å; F97-V101 HydrophobicContact CD2-CG2 3.83Å; F97-V101 HydrophobicContact CE1-CG2 4.18Å; F97-V101 HydrophobicContact CE2-CG2 3.6Å; F97-V101 HydrophobicContact CG-CG2 4.22Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 VanDerWaalsContact O-CB 3.25Å; F97-V101 WeakPolarHBondContact O-CB 3.45Å; F97-V101 WeakPolarHBondContact O-CG2 3.46Å; F97-V101 PolarHBondContact O-N 3.45Å; F97-I103 HydrophobicContact CE1-CD1 4.29Å; F97-Y116 WeakPolarHBondContact CA-OH 3.35Å
98	M	92.3	Very high	90.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.4	-45.7	-179.3	-70.1	-177.6	78.9	0	0	112.9	L64 A73 K77 F80 G94 L95 V101 G102 I103 A104 T105	L64-M98 HydrophobicContact CD1-CE 4.1Å; L64-M98 HydrophobicContact CD1-CG 3.76Å; L64-M98 HydrophobicContact CD1-SD 3.97Å; L64-M98 HydrophobicContact CD2-CG 4.3Å; A73-M98 HydrophobicContact CB-CE 4.44Å; K77-M98 HydrophobicContact CB-CE 3.74Å; K77-M98 HydrophobicContact CB-SD 4.25Å; K77-M98 HydrophobicContact CG-CE 4.36Å; F80-M98 HydrophobicContact CD2-SD 3.66Å; F80-M98 HydrophobicContact CE2-SD 3.9Å; G94-M98 VanDerWaalsContact O-CG 3.28Å; G94-M98 WeakPolarHBondContact O-CG 3.48Å; G94-M98 PolarHBondContact O-N 3.5Å; L95-M98 PolarHBondContact O-N 2.92Å; M98-V101 PolarHBondContact O-N 2.85Å; M98-G102 WeakPolarHBondContact O-CA 3.34Å; M98-G102 PolarHBondContact O-N 3.09Å; M98-I103 HydrophobicContact CE-CG2 4.22Å; M98-I103 VanDerWaalsContact CE-O 3.28Å; M98-I103 WeakPolarHBondContact CE-O 3.18Å; M98-I103 PolarHBondContact O-N 2.87Å; M98-I103 VanDerWaalsContact O-N 3.11Å; M98-A104 HydrophobicContact CE-CB 3.74Å; M98-T105 PolarHBondContact O-OG1 2.96Å
99	H	92.9	Very high	90.5	Very high	21 Å²	21	33.5 Å²	33.5	10%	0.097	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-34.7	176.6	-78.4	-66.6	0	0	0	113.3	L95 F97 V101 S107 S108 I111 A112 Y115	L95-H99 WeakPolarHBondContact O-CB 3.48Å; L95-H99 PolarHBondContact O-CD2 3.49Å; L95-H99 PolarHBondContact O-N 3.03Å; F97-H99 PolarHBondContact O-N 3.28Å; H99-V101 PolarHBondContact O-N 3.09Å; H99-S107 WeakPolarHBondContact O-CA 3.14Å; H99-S108 PolarHBondContact O-N 3.38Å; H99-I111 HydrophobicContact CB-CB 4.44Å; H99-I111 HydrophobicContact CB-CG2 4.18Å; H99-I111 VanDerWaalsContact CD2-CG2 3.47Å; H99-I111 WeakPolarHBondContact CD2-CG2 3.41Å; H99-A112 HydrophobicContact CB-CB 4.1Å; H99-Y115 AromaticContact CD2-CD2 3.84Å; H99-Y115 AromaticContact CD2-CE2 3.69Å; H99-Y115 AromaticContact NE2-CE2 3.84Å
100	S	88.6	Confident	90.3	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-29.5	176.5	69.7	0	0	0	0	111.9	A96 F97 Q109 Y116	A96-S100 WeakPolarHBondContact O-CB 3.39Å; A96-S100 PolarHBondContact O-N 2.79Å; A96-S100 PolarHBondContact O-OG 2.94Å; F97-S100 WeakPolarHBondContact CA-OG 3.48Å; F97-S100 PolarHBondContact O-N 3.32Å; F97-S100 VanDerWaalsContact O-N 3.08Å; F97-S100 PolarHBondContact O-OG 2.82Å; S100-Q109 PolarHBondContact O-NE2 3.49Å; S100-Y116 PolarHBondContact OG-OH 3.04Å
101	V	84.2	Confident	90.3	Very high	12 Å²	12	35 Å²	35	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-96.8	-29.4	-173.2	170.2	0	0	0	0	112	F97 M98 H99 I103 L417 R421	F97-V101 HydrophobicContact CD1-CG2 4.36Å; F97-V101 HydrophobicContact CD2-CG2 3.83Å; F97-V101 HydrophobicContact CE1-CG2 4.18Å; F97-V101 HydrophobicContact CE2-CG2 3.6Å; F97-V101 HydrophobicContact CG-CG2 4.22Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 VanDerWaalsContact O-CB 3.25Å; F97-V101 WeakPolarHBondContact O-CB 3.45Å; F97-V101 WeakPolarHBondContact O-CG2 3.46Å; F97-V101 PolarHBondContact O-N 3.45Å; M98-V101 PolarHBondContact O-N 2.85Å; H99-V101 PolarHBondContact O-N 3.09Å; V101-I103 HydrophobicContact CB-CG1 4.43Å; V101-I103 HydrophobicContact CG1-CB 4.48Å; V101-I103 HydrophobicContact CG1-CD1 3.46Å; V101-I103 VanDerWaalsContact CG1-CD1 3.46Å; V101-I103 HydrophobicContact CG1-CG1 3.48Å; V101-I103 VanDerWaalsContact CG1-CG1 3.48Å; V101-L417 HydrophobicContact CG1-CD2 4.4Å; V101-R421 PolarHBondContact O-NH2 3.45Å
102	G	82.8	Confident	90.2	Very high	30 Å²	30	35 Å²	35	31%	0.309	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	29.7	-172.9	0	0	0	0	0	114.1	M98 T105	M98-G102 WeakPolarHBondContact O-CA 3.34Å; M98-G102 PolarHBondContact O-N 3.09Å; G102-T105 CarbonylContact C-O 3.6Å; G102-T105 VanDerWaalsContact CA-O 3.25Å; G102-T105 WeakPolarHBondContact CA-O 3.19Å
103	I	82.4	Confident	90.1	Very high	41 Å²	41	35.3 Å²	35.3	21%	0.21	22%	0.216	C	C	.	.	S	Bend	trans	-89.7	126.2	176	-67.4	171.9	0	0	0	109.1	L64 W71 A73 F97 M98 V101 T105	L64-I103 HydrophobicContact CD1-CG2 4.07Å; W71-I103 HydrophobicContact CZ2-CG2 4.39Å; A73-I103 HydrophobicContact CB-CG2 3.6Å; F97-I103 HydrophobicContact CE1-CD1 4.29Å; M98-I103 HydrophobicContact CE-CG2 4.22Å; M98-I103 VanDerWaalsContact CE-O 3.28Å; M98-I103 WeakPolarHBondContact CE-O 3.18Å; M98-I103 PolarHBondContact O-N 2.87Å; M98-I103 VanDerWaalsContact O-N 3.11Å; V101-I103 HydrophobicContact CB-CG1 4.43Å; V101-I103 HydrophobicContact CG1-CB 4.48Å; V101-I103 HydrophobicContact CG1-CD1 3.46Å; V101-I103 VanDerWaalsContact CG1-CD1 3.46Å; V101-I103 HydrophobicContact CG1-CG1 3.48Å; V101-I103 VanDerWaalsContact CG1-CG1 3.48Å; I103-T105 PolarHBondContact O-N 2.93Å; I103-T105 PolarHBondContact O-OG1 3.47Å; I103-T105 VanDerWaalsContact O-OG1 3.07Å
104	A	82.7	Confident	90.1	Very high	48 Å²	48	38.9 Å²	38.9	40%	0.397	23%	0.234	S	C	.	.	S	Bend	trans	52.1	8.2	-176.6	0	0	0	0	0	115.4	A73 P74 M98	A73-A104 HydrophobicContact CB-CB 3.84Å; P74-A104 HydrophobicContact CG-CB 4.5Å; M98-A104 HydrophobicContact CE-CB 3.74Å
105	T	85.3	Confident	90.2	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.104	25%	0.245	C	C	.	.	S	Bend	trans	-147.5	153.8	-176.6	56.6	0	0	0	0	108.4	K77 M98 G102 I103	K77-T105 HydrophobicContact CD-CG2 3.61Å; K77-T105 HydrophobicContact CG-CG2 4.21Å; M98-T105 PolarHBondContact O-OG1 2.96Å; G102-T105 CarbonylContact C-O 3.6Å; G102-T105 VanDerWaalsContact CA-O 3.25Å; G102-T105 WeakPolarHBondContact CA-O 3.19Å; I103-T105 PolarHBondContact O-N 2.93Å; I103-T105 PolarHBondContact O-OG1 3.47Å; I103-T105 VanDerWaalsContact O-OG1 3.07Å
106	N	85.9	Confident	90.2	Very high	149 Å²	149	42.4 Å²	42.4	80%	0.797	25%	0.248	S	C	*	.			trans	-66.5	136.9	171.8	-68.1	-15.8	0	0	0	109.7	S108	N106-S108 PolarHBondContact O-N 3.19Å
107	S	83.3	Confident	90.3	Very high	82 Å²	82	44.5 Å²	44.5	57%	0.573	26%	0.261	S	S	*	.			trans	-59.8	120.7	175.9	-178.5	0	0	0	0	109.9	H99	H99-S107 WeakPolarHBondContact O-CA 3.14Å
108	S	91.5	Very high	90.4	Very high	32 Å²	32	47 Å²	47	22%	0.224	27%	0.271	C	S	.	.			trans	-145.3	105.1	178.1	177.1	0	0	0	0	109.5	H99 N106 A110 I111 A112	H99-S108 PolarHBondContact O-N 3.38Å; N106-S108 PolarHBondContact O-N 3.19Å; S108-A110 PolarHBondContact O-N 2.93Å; S108-I111 PolarHBondContact O-N 2.89Å; S108-I111 WeakPolarHBondContact OG-CG1 3.34Å; S108-I111 PolarHBondContact OG-N 3.11Å; S108-A112 VanDerWaalsContact O-CB 3.32Å; S108-A112 WeakPolarHBondContact O-CB 3.32Å; S108-A112 PolarHBondContact O-N 3Å
109	Q	89.4	Confident	90.7	Very high	59 Å²	59	47 Å²	47	28%	0.276	27%	0.271	S	S	.	.	H	α-helix	trans	-66.4	-28.8	177.4	-65.7	-59.2	-45.4	0	0	112.6	S100 L113 N140	S100-Q109 PolarHBondContact O-NE2 3.49Å; Q109-L113 VanDerWaalsContact O-CB 3.3Å; Q109-L113 WeakPolarHBondContact O-CB 3.28Å; Q109-L113 PolarHBondContact O-N 3.48Å; Q109-N140 VanDerWaalsContact CB-ND2 3.31Å; Q109-N140 WeakPolarHBondContact CB-ND2 3.46Å
110	A	92.3	Very high	90.9	Very high	62 Å²	62	46 Å²	46	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-68.6	-46.8	177	0	0	0	0	0	111.7	S108 L113 I114	S108-A110 PolarHBondContact O-N 2.93Å; A110-L113 WeakPolarHBondContact O-CB 3.5Å; A110-L113 PolarHBondContact O-N 3.42Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.03Å
111	I	94.6	Very high	91.2	Very high	70 Å²	70	51.3 Å²	51.3	36%	0.359	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-42.3	176.4	-64.8	171.2	0	0	0	110.2	H99 S108 L113 I114 Y115	H99-I111 HydrophobicContact CB-CB 4.44Å; H99-I111 HydrophobicContact CB-CG2 4.18Å; H99-I111 VanDerWaalsContact CD2-CG2 3.47Å; H99-I111 WeakPolarHBondContact CD2-CG2 3.41Å; S108-I111 PolarHBondContact O-N 2.89Å; S108-I111 WeakPolarHBondContact OG-CG1 3.34Å; S108-I111 PolarHBondContact OG-N 3.11Å; I111-L113 VanDerWaalsContact C-N 3.28Å; I111-L113 PolarHBondContact O-N 2.73Å; I111-I114 WeakPolarHBondContact O-CB 3.41Å; I111-I114 PolarHBondContact O-N 3.39Å; I111-I114 VanDerWaalsContact O-N 3.16Å; I111-Y115 HydrophobicContact CG2-CD2 3.67Å; I111-Y115 HydrophobicContact CG2-CE2 3.52Å; I111-Y115 WeakPolarHBondContact O-CD2 3.39Å; I111-Y115 PolarHBondContact O-N 3.08Å; I111-Y115 VanDerWaalsContact O-N 3.07Å
112	A	94.1	Very high	91.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.3	-43.5	175.5	0	0	0	0	0	112.1	A96 H99 S108 I114 Y115 Y116	A96-A112 WeakPolarHBondContact O-CB 3.3Å; H99-A112 HydrophobicContact CB-CB 4.1Å; S108-A112 VanDerWaalsContact O-CB 3.32Å; S108-A112 WeakPolarHBondContact O-CB 3.32Å; S108-A112 PolarHBondContact O-N 3Å; A112-I114 VanDerWaalsContact C-N 3.33Å; A112-I114 PolarHBondContact O-N 3.11Å; A112-Y115 PolarHBondContact O-N 3.06Å; A112-Y116 HydrophobicContact CB-CD2 4.3Å; A112-Y116 HydrophobicContact CB-CE2 4.16Å; A112-Y116 WeakPolarHBondContact O-CB 3.07Å; A112-Y116 WeakPolarHBondContact O-CD2 2.96Å; A112-Y116 PolarHBondContact O-N 3.11Å
113	L	95.4	Very high	92.1	Very high	30 Å²	30	52.5 Å²	52.5	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-44.9	177	175.8	63.2	0	0	0	111.4	Q109 A110 I111 Y115 Y116 T117 L131 L141	Q109-L113 VanDerWaalsContact O-CB 3.3Å; Q109-L113 WeakPolarHBondContact O-CB 3.28Å; Q109-L113 PolarHBondContact O-N 3.48Å; A110-L113 WeakPolarHBondContact O-CB 3.5Å; A110-L113 PolarHBondContact O-N 3.42Å; I111-L113 VanDerWaalsContact C-N 3.28Å; I111-L113 PolarHBondContact O-N 2.73Å; L113-Y115 PolarHBondContact O-N 3.1Å; L113-Y116 PolarHBondContact O-N 3.31Å; L113-T117 HydrophobicContact CD1-CG2 4.22Å; L113-T117 WeakPolarHBondContact O-CG2 3.48Å; L113-T117 PolarHBondContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 3.1Å; L113-L131 HydrophobicContact CD1-CD2 3.66Å; L113-L141 HydrophobicContact CD1-CD1 3.64Å; L113-L141 HydrophobicContact CD1-CD2 4.35Å; L113-L141 HydrophobicContact CD1-CG 4.06Å; L113-L141 HydrophobicContact CD2-CD2 3.91Å; L113-L141 HydrophobicContact CD2-CG 4.04Å
114	I	95.1	Very high	92.7	Very high	91 Å²	91	52 Å²	52	47%	0.467	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-46.1	178	-66	167.4	0	0	0	111.1	A110 I111 A112 T117 F118	A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.03Å; I111-I114 WeakPolarHBondContact O-CB 3.41Å; I111-I114 PolarHBondContact O-N 3.39Å; I111-I114 VanDerWaalsContact O-N 3.16Å; A112-I114 VanDerWaalsContact C-N 3.33Å; A112-I114 PolarHBondContact O-N 3.11Å; I114-T117 PolarHBondContact O-N 3.39Å; I114-T117 PolarHBondContact O-OG1 2.85Å; I114-F118 HydrophobicContact CG2-CD2 3.8Å; I114-F118 HydrophobicContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact CG2-CE2 3.47Å; I114-F118 WeakPolarHBondContact O-CD2 3.41Å; I114-F118 PolarHBondContact O-N 3.19Å; I114-F118 VanDerWaalsContact O-N 3.14Å
115	Y	97.1	Very high	93.1	Very high	56 Å²	56	50.3 Å²	50.3	22%	0.22	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-36.3	178.9	-75.9	-61.2	0	0	0	112.7	Q92 L95 H99 I111 A112 L113 T117 F118 A119	Q92-Y115 HydrophobicContact CB-CD1 4.4Å; Q92-Y115 HydrophobicContact CG-CD1 4.37Å; Q92-Y115 WeakPolarHBondContact O-CB 3.21Å; L95-Y115 HydrophobicContact CB-CD1 4.23Å; L95-Y115 HydrophobicContact CB-CD2 3.9Å; L95-Y115 HydrophobicContact CB-CE1 4.37Å; L95-Y115 HydrophobicContact CB-CE2 4.03Å; L95-Y115 HydrophobicContact CB-CG 4Å; L95-Y115 HydrophobicContact CD1-CD1 4.28Å; L95-Y115 HydrophobicContact CD1-CE1 3.75Å; L95-Y115 HydrophobicContact CD1-CE2 4.34Å; H99-Y115 AromaticContact CD2-CD2 3.84Å; H99-Y115 AromaticContact CD2-CE2 3.69Å; H99-Y115 AromaticContact NE2-CE2 3.84Å; I111-Y115 HydrophobicContact CG2-CD2 3.67Å; I111-Y115 HydrophobicContact CG2-CE2 3.52Å; I111-Y115 WeakPolarHBondContact O-CD2 3.39Å; I111-Y115 PolarHBondContact O-N 3.08Å; I111-Y115 VanDerWaalsContact O-N 3.07Å; A112-Y115 PolarHBondContact O-N 3.06Å; L113-Y115 PolarHBondContact O-N 3.1Å; Y115-T117 VanDerWaalsContact C-N 3.32Å; Y115-T117 PolarHBondContact O-N 3.16Å; Y115-F118 PolarHBondContact O-N 3.22Å; Y115-A119 WeakPolarHBondContact O-CB 3.28Å; Y115-A119 PolarHBondContact O-N 3.36Å
116	Y	97.1	Very high	93.4	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-38.8	172.9	-79.4	-56.3	0	0	0	111.6	L93 A96 F97 S100 A112 L113 A120 A127 A130	L93-Y116 HydrophobicContact CD1-CD1 4.18Å; L93-Y116 HydrophobicContact CD1-CE1 3.82Å; A96-Y116 HydrophobicContact CB-CD1 3.51Å; A96-Y116 HydrophobicContact CB-CD2 3.75Å; A96-Y116 HydrophobicContact CB-CE1 3.62Å; A96-Y116 HydrophobicContact CB-CE2 3.81Å; A96-Y116 HydrophobicContact CB-CG 3.57Å; F97-Y116 WeakPolarHBondContact CA-OH 3.35Å; S100-Y116 PolarHBondContact OG-OH 3.04Å; A112-Y116 HydrophobicContact CB-CD2 4.3Å; A112-Y116 HydrophobicContact CB-CE2 4.16Å; A112-Y116 WeakPolarHBondContact O-CB 3.07Å; A112-Y116 WeakPolarHBondContact O-CD2 2.96Å; A112-Y116 PolarHBondContact O-N 3.11Å; L113-Y116 PolarHBondContact O-N 3.31Å; Y116-A120 WeakPolarHBondContact O-CB 3.43Å; Y116-A120 PolarHBondContact O-N 3.04Å; Y116-A127 HydrophobicContact CD1-CB 4.2Å; Y116-A130 HydrophobicContact CD1-CB 3.87Å; Y116-A130 HydrophobicContact CE1-CB 3.81Å; Y116-A130 HydrophobicContact CG-CB 4.36Å
117	T	96	Very high	93.9	Very high	44 Å²	44	45.7 Å²	45.7	27%	0.27	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.1	54.6	0	0	0	0	111.7	L113 I114 Y115 A120 L121 L131	L113-T117 HydrophobicContact CD1-CG2 4.22Å; L113-T117 WeakPolarHBondContact O-CG2 3.48Å; L113-T117 PolarHBondContact O-N 3.07Å; L113-T117 PolarHBondContact O-OG1 3.1Å; I114-T117 PolarHBondContact O-N 3.39Å; I114-T117 PolarHBondContact O-OG1 2.85Å; Y115-T117 VanDerWaalsContact C-N 3.32Å; Y115-T117 PolarHBondContact O-N 3.16Å; T117-A120 PolarHBondContact O-N 3.04Å; T117-L121 WeakPolarHBondContact O-CB 3.28Å; T117-L121 VanDerWaalsContact O-CG 3.24Å; T117-L121 WeakPolarHBondContact O-CG 3.21Å; T117-L121 PolarHBondContact O-N 3.13Å; T117-L131 HydrophobicContact CG2-CD1 4.07Å; T117-L131 HydrophobicContact CG2-CD2 4Å
118	F	96.3	Very high	94.4	Very high	108 Å²	108	42.4 Å²	42.4	47%	0.474	24%	0.24	S	C	.	.	H	α-helix	trans	-62.3	-45.8	175.6	-71.8	-60.5	0	0	0	112.4	Q92 I114 Y115 A120 L121 G122	Q92-F118 HydrophobicContact CG-CB 4.47Å; Q92-F118 PolarHBondContact OE1-O 3.35Å; I114-F118 HydrophobicContact CG2-CD2 3.8Å; I114-F118 HydrophobicContact CG2-CE2 3.47Å; I114-F118 VanDerWaalsContact CG2-CE2 3.47Å; I114-F118 WeakPolarHBondContact O-CD2 3.41Å; I114-F118 PolarHBondContact O-N 3.19Å; I114-F118 VanDerWaalsContact O-N 3.14Å; Y115-F118 PolarHBondContact O-N 3.22Å; F118-A120 VanDerWaalsContact C-N 3.34Å; F118-A120 PolarHBondContact O-N 2.98Å; F118-L121 PolarHBondContact O-N 3.5Å; F118-G122 PolarHBondContact O-N 3.36Å
119	A	97.3	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-40.9	177.6	0	0	0	0	0	112.3	T89 Q92 L93 Y115 G122 G123 E124 A127	T89-A119 WeakPolarHBondContact O-CB 3.44Å; Q92-A119 HydrophobicContact CB-CB 3.95Å; L93-A119 HydrophobicContact CB-CB 4.05Å; Y115-A119 WeakPolarHBondContact O-CB 3.28Å; Y115-A119 PolarHBondContact O-N 3.36Å; A119-G122 CarbonylContact O-C 3.51Å; A119-G122 PolarHBondContact O-N 2.93Å; A119-G123 PolarHBondContact O-N 2.96Å; A119-E124 HydrophobicContact CB-CB 4.37Å; A119-E124 HydrophobicContact CB-CG 4.48Å; A119-E124 WeakPolarHBondContact O-CB 3.12Å; A119-E124 PolarHBondContact O-N 3.07Å; A119-A127 HydrophobicContact CB-CB 3.58Å
120	A	96.6	Very high	94.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-36.7	179.3	0	0	0	0	0	112.9	Y116 T117 F118 G122 G123 A127 Q128 L131 Y151	Y116-A120 WeakPolarHBondContact O-CB 3.43Å; Y116-A120 PolarHBondContact O-N 3.04Å; T117-A120 PolarHBondContact O-N 3.04Å; F118-A120 VanDerWaalsContact C-N 3.34Å; F118-A120 PolarHBondContact O-N 2.98Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G123 PolarHBondContact O-N 2.83Å; A120-G123 VanDerWaalsContact O-N 3.14Å; A120-A127 HydrophobicContact CB-CB 3.94Å; A120-Q128 HydrophobicContact CB-CG 3.8Å; A120-Q128 PolarHBondContact O-NE2 3.32Å; A120-Q128 VanDerWaalsContact O-NE2 3.1Å; A120-L131 HydrophobicContact CB-CD1 3.37Å; A120-L131 HydrophobicContact CB-CG 4.41Å; A120-Y151 HydrophobicContact CB-CD1 4.49Å; A120-Y151 HydrophobicContact CB-CE1 4.09Å
121	L	95.3	Very high	94.6	Very high	127 Å²	127	37.8 Å²	37.8	67%	0.665	21%	0.209	S	C	*	.	H	α-helix	trans	-63.9	-36.9	171.4	-74.5	172.4	0	0	0	111.2	T117 F118 G123	T117-L121 WeakPolarHBondContact O-CB 3.28Å; T117-L121 VanDerWaalsContact O-CG 3.24Å; T117-L121 WeakPolarHBondContact O-CG 3.21Å; T117-L121 PolarHBondContact O-N 3.13Å; F118-L121 PolarHBondContact O-N 3.5Å; L121-G123 PolarHBondContact O-N 2.88Å
122	G	94.1	Very high	94.4	Very high	45 Å²	45	34.5 Å²	34.5	46%	0.464	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.4	172.2	0	0	0	0	0	115.3	F118 A119 A120	F118-G122 PolarHBondContact O-N 3.36Å; A119-G122 CarbonylContact O-C 3.51Å; A119-G122 PolarHBondContact O-N 2.93Å; A120-G122 VanDerWaalsContact C-N 3.28Å
123	G	92.3	Very high	94.1	Very high	23 Å²	23	39.6 Å²	39.6	24%	0.237	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	13.2	175.7	0	0	0	0	0	115.4	A119 A120 L121 P125 R158	A119-G123 PolarHBondContact O-N 2.96Å; A120-G123 PolarHBondContact O-N 2.83Å; A120-G123 VanDerWaalsContact O-N 3.14Å; L121-G123 PolarHBondContact O-N 2.88Å; G123-P125 WeakPolarHBondContact O-CD 3.3Å; G123-R158 PolarHBondContact O-NH1 2.86Å
124	E	94.3	Very high	93.9	Very high	30 Å²	30	39.1 Å²	39.1	14%	0.14	21%	0.208	C	C	.	.			trans	-71.9	119.1	176.2	-74.4	-59.7	150.9	0	0	111.6	T89 K90 A119 L126 A127 Q128	T89-E124 PolarHBondContact OG1-OE1 2.83Å; K90-E124 WeakPolarHBondContact CG-OE1 3.12Å; A119-E124 HydrophobicContact CB-CB 4.37Å; A119-E124 HydrophobicContact CB-CG 4.48Å; A119-E124 WeakPolarHBondContact O-CB 3.12Å; A119-E124 PolarHBondContact O-N 3.07Å; E124-L126 PolarHBondContact O-N 3.11Å; E124-A127 HydrophobicContact CB-CB 3.96Å; E124-A127 PolarHBondContact O-N 3.03Å; E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3.38Å
125	P	92.2	Very high	93.7	Very high	13 Å²	13	36 Å²	36	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-37.6	-173.2	25.8	-32.4	0	0	0	111.8	G123 A127 Q128 M129 V155 W387	G123-P125 WeakPolarHBondContact O-CD 3.3Å; P125-A127 VanDerWaalsContact C-N 3.32Å; P125-A127 PolarHBondContact O-N 3.12Å; P125-Q128 PolarHBondContact O-N 2.96Å; P125-M129 VanDerWaalsContact O-CG 3.31Å; P125-M129 WeakPolarHBondContact O-CG 3.29Å; P125-M129 PolarHBondContact O-N 2.93Å; P125-V155 HydrophobicContact CB-CG1 4.36Å; P125-V155 HydrophobicContact CB-CG2 4.45Å; P125-W387 HydrophobicContact CB-CE3 4.26Å; P125-W387 HydrophobicContact CB-CH2 3.72Å; P125-W387 HydrophobicContact CB-CZ3 3.47Å; P125-W387 VanDerWaalsContact CB-CZ3 3.47Å; P125-W387 HydrophobicContact CG-CE3 4.07Å; P125-W387 HydrophobicContact CG-CH2 4.31Å; P125-W387 HydrophobicContact CG-CZ3 3.55Å
126	L	91.9	Very high	93.2	Very high	68 Å²	68	35 Å²	35	36%	0.356	19%	0.192	S	C	.	.	H	α-helix	trans	-64.2	-36.9	177.4	-67.7	177.6	0	0	0	112.1	L93 E124 A130 W387	L93-L126 HydrophobicContact CD1-CB 4.17Å; L93-L126 HydrophobicContact CD2-CB 3.91Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å; E124-L126 PolarHBondContact O-N 3.11Å; L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 2.99Å; L126-W387 HydrophobicContact CD2-CB 3.82Å; L126-W387 HydrophobicContact CD2-CD2 4.11Å; L126-W387 HydrophobicContact CD2-CG 3.79Å
127	A	95.4	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-41.1	175.1	0	0	0	0	0	111.6	L93 Y116 A119 A120 E124 P125 A130 L131	L93-A127 HydrophobicContact CD1-CB 4.09Å; Y116-A127 HydrophobicContact CD1-CB 4.2Å; A119-A127 HydrophobicContact CB-CB 3.58Å; A120-A127 HydrophobicContact CB-CB 3.94Å; E124-A127 HydrophobicContact CB-CB 3.96Å; E124-A127 PolarHBondContact O-N 3.03Å; P125-A127 VanDerWaalsContact C-N 3.32Å; P125-A127 PolarHBondContact O-N 3.12Å; A127-A130 PolarHBondContact O-N 3.01Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 3.3Å
128	Q	95	Very high	92.2	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-43.9	174.6	-68.3	172.9	-5	0	0	111.3	A120 E124 P125 A130 L131 G132 Y151 V155	A120-Q128 HydrophobicContact CB-CG 3.8Å; A120-Q128 PolarHBondContact O-NE2 3.32Å; A120-Q128 VanDerWaalsContact O-NE2 3.1Å; E124-Q128 WeakPolarHBondContact O-CG 3.34Å; E124-Q128 PolarHBondContact O-N 3.38Å; P125-Q128 PolarHBondContact O-N 2.96Å; Q128-A130 PolarHBondContact O-N 2.88Å; Q128-L131 PolarHBondContact O-N 2.93Å; Q128-G132 PolarHBondContact O-N 2.94Å; Q128-Y151 HydrophobicContact CB-CD1 4.21Å; Q128-Y151 HydrophobicContact CG-CD1 4.18Å; Q128-Y151 WeakPolarHBondContact O-CB 3.48Å; Q128-V155 HydrophobicContact CB-CG2 3.53Å
129	M	91.5	Very high	91.6	Very high	33 Å²	33	33.6 Å²	33.6	16%	0.163	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-44.1	173.2	-70.8	-179.8	70	0	0	112	P125 L131 G132 Y133 V155 A382 W387	P125-M129 VanDerWaalsContact O-CG 3.31Å; P125-M129 WeakPolarHBondContact O-CG 3.29Å; P125-M129 PolarHBondContact O-N 2.93Å; M129-L131 PolarHBondContact O-N 2.89Å; M129-G132 PolarHBondContact O-N 3.2Å; M129-Y133 WeakPolarHBondContact O-CB 3.31Å; M129-Y133 PolarHBondContact O-N 3.46Å; M129-V155 HydrophobicContact CG-CB 4.31Å; M129-V155 HydrophobicContact CG-CG1 3.81Å; M129-V155 HydrophobicContact CG-CG2 3.82Å; M129-V155 HydrophobicContact SD-CG1 4.05Å; M129-A382 HydrophobicContact CE-CB 4.2Å; M129-A382 VanDerWaalsContact CE-O 3.27Å; M129-A382 WeakPolarHBondContact CE-O 3.48Å; M129-A382 HydrophobicContact CG-CB 4.25Å; M129-A382 HydrophobicContact SD-CB 4.43Å; M129-W387 HydrophobicContact SD-CD2 4.35Å; M129-W387 HydrophobicContact SD-CZ2 3.6Å; M129-W387 PolarHBondContact SD-NE1 3.16Å; M129-W387 VanDerWaalsContact SD-NE1 3.43Å
130	A	91.7	Very high	91.1	Very high	24 Å²	24	38.1 Å²	38.1	20%	0.198	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-42.4	178.4	0	0	0	0	0	112	Y116 L126 A127 Q128 R134	Y116-A130 HydrophobicContact CD1-CB 3.87Å; Y116-A130 HydrophobicContact CE1-CB 3.81Å; Y116-A130 HydrophobicContact CG-CB 4.36Å; L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 2.99Å; A127-A130 PolarHBondContact O-N 3.01Å; Q128-A130 PolarHBondContact O-N 2.88Å; A130-R134 WeakPolarHBondContact O-CB 3.24Å; A130-R134 VanDerWaalsContact O-CG 3.22Å; A130-R134 WeakPolarHBondContact O-CG 3.12Å; A130-R134 PolarHBondContact O-N 2.68Å
131	L	92.9	Very high	90.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.9	-42.1	174.6	-69.3	176.6	0	0	0	112.2	L113 T117 A120 A127 Q128 M129 Y133 R134 F135 Y151	L113-L131 HydrophobicContact CD1-CD2 3.66Å; T117-L131 HydrophobicContact CG2-CD1 4.07Å; T117-L131 HydrophobicContact CG2-CD2 4Å; A120-L131 HydrophobicContact CB-CD1 3.37Å; A120-L131 HydrophobicContact CB-CG 4.41Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 3.3Å; Q128-L131 PolarHBondContact O-N 2.93Å; M129-L131 PolarHBondContact O-N 2.89Å; L131-Y133 VanDerWaalsContact C-N 3.27Å; L131-Y133 PolarHBondContact O-N 3.39Å; L131-R134 PolarHBondContact O-N 3.4Å; L131-R134 VanDerWaalsContact O-N 3.14Å; L131-F135 VanDerWaalsContact O-CD2 3.22Å; L131-F135 WeakPolarHBondContact O-CD2 3.33Å; L131-F135 PolarHBondContact O-N 3.13Å; L131-Y151 HydrophobicContact CB-CD1 4.18Å; L131-Y151 HydrophobicContact CB-CD2 4.08Å; L131-Y151 HydrophobicContact CB-CE1 4.22Å; L131-Y151 HydrophobicContact CB-CE2 4.17Å; L131-Y151 HydrophobicContact CB-CG 4.1Å; L131-Y151 HydrophobicContact CD1-CD1 4.21Å; L131-Y151 HydrophobicContact CD1-CE1 3.57Å; L131-Y151 HydrophobicContact CD1-CE2 4.42Å
132	G	90.7	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-53.3	-47.8	174.5	0	0	0	0	0	111.4	Q128 M129 F135 S136 A148 Y152	Q128-G132 PolarHBondContact O-N 2.94Å; M129-G132 PolarHBondContact O-N 3.2Å; G132-F135 PolarHBondContact O-N 2.82Å; G132-S136 WeakPolarHBondContact O-CB 3.41Å; G132-S136 PolarHBondContact O-N 3.01Å; G132-A148 VanDerWaalsContact O-CB 3.28Å; G132-A148 WeakPolarHBondContact O-CB 3.24Å; G132-Y152 VanDerWaalsContact C-CE2 3.42Å
133	Y	88.2	Confident	90.4	Very high	107 Å²	107	42.9 Å²	42.9	42%	0.42	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-42.9	176.3	-177	-99.8	0	0	0	112.4	M129 L131 F135 S136 S137 I139 Y152	M129-Y133 WeakPolarHBondContact O-CB 3.31Å; M129-Y133 PolarHBondContact O-N 3.46Å; L131-Y133 VanDerWaalsContact C-N 3.27Å; L131-Y133 PolarHBondContact O-N 3.39Å; Y133-F135 PolarHBondContact O-N 3.41Å; Y133-S136 PolarHBondContact O-N 2.84Å; Y133-S136 PolarHBondContact O-OG 3.02Å; Y133-S137 WeakPolarHBondContact O-CB 3.11Å; Y133-S137 PolarHBondContact O-N 3.43Å; Y133-S137 PolarHBondContact O-OG 3.37Å; Y133-I139 HydrophobicContact CD1-CD1 4.23Å; Y133-I139 HydrophobicContact CE1-CD1 3.67Å; Y133-Y152 VanDerWaalsContact CA-OH 3.29Å; Y133-Y152 WeakPolarHBondContact CA-OH 3.48Å; Y133-Y152 WeakPolarHBondContact CB-OH 3.3Å; Y133-Y152 PolarHBondContact N-OH 3.5Å
134	R	90.1	Very high	90.3	Very high	21 Å²	21	44.2 Å²	44.2	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-39.9	178.3	-73.6	169.6	-179.5	-82.3	-2.2	112.3	A130 L131 G138 I139 L141	A130-R134 WeakPolarHBondContact O-CB 3.24Å; A130-R134 VanDerWaalsContact O-CG 3.22Å; A130-R134 WeakPolarHBondContact O-CG 3.12Å; A130-R134 PolarHBondContact O-N 2.68Å; L131-R134 PolarHBondContact O-N 3.4Å; L131-R134 VanDerWaalsContact O-N 3.14Å; R134-G138 WeakPolarHBondContact O-CA 3.26Å; R134-G138 PolarHBondContact O-N 3.1Å; R134-I139 HydrophobicContact CG-CB 4.28Å; R134-I139 PolarHBondContact O-N 2.8Å; R134-L141 HydrophobicContact CB-CD1 4.14Å
135	F	91.2	Very high	89.9	Confident	26 Å²	26	44.8 Å²	44.8	11%	0.114	25%	0.25	C	S	.	.	H	α-helix	trans	-69.3	-34.2	174	-81.3	-67.4	0	0	0	112.8	L131 G132 Y133 L141 Q143 V144 A148 Y151	L131-F135 VanDerWaalsContact O-CD2 3.22Å; L131-F135 WeakPolarHBondContact O-CD2 3.33Å; L131-F135 PolarHBondContact O-N 3.13Å; G132-F135 PolarHBondContact O-N 2.82Å; Y133-F135 PolarHBondContact O-N 3.41Å; F135-L141 HydrophobicContact CD1-CB 4.14Å; F135-L141 HydrophobicContact CD1-CD1 4.11Å; F135-L141 HydrophobicContact CD2-CD1 4.05Å; F135-L141 HydrophobicContact CE1-CB 4.08Å; F135-L141 HydrophobicContact CE1-CD1 3.84Å; F135-L141 HydrophobicContact CE1-CD2 4.11Å; F135-L141 HydrophobicContact CE1-CG 4.25Å; F135-L141 HydrophobicContact CE2-CD1 3.72Å; F135-L141 HydrophobicContact CG-CD1 4.21Å; F135-L141 HydrophobicContact CZ-CD1 3.63Å; F135-L141 HydrophobicContact CZ-CD2 4.11Å; F135-L141 HydrophobicContact CZ-CG 4.36Å; F135-Q143 WeakPolarHBondContact O-CA 3.46Å; F135-V144 HydrophobicContact CD1-CB 4.45Å; F135-V144 PolarHBondContact O-N 3.25Å; F135-V144 VanDerWaalsContact O-N 3.11Å; F135-A148 HydrophobicContact CB-CB 3.8Å; F135-Y151 AromaticContact CD2-CD2 3.91Å; F135-Y151 HydrophobicContact CD2-CD2 3.91Å; F135-Y151 AromaticContact CD2-CE2 3.77Å; F135-Y151 HydrophobicContact CD2-CE2 3.77Å; F135-Y151 HydrophobicContact CE2-CD2 4.05Å; F135-Y151 AromaticContact CE2-CE2 3.42Å; F135-Y151 HydrophobicContact CE2-CE2 3.42Å; F135-Y151 VanDerWaalsContact CE2-CE2 3.42Å; F135-Y151 HydrophobicContact CZ-CE2 4.46Å
136	S	87.1	Confident	89.7	Confident	33 Å²	33	48.8 Å²	48.8	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-73.2	-36.6	179.1	75.7	0	0	0	0	112.6	G132 Y133 Q143	G132-S136 WeakPolarHBondContact O-CB 3.41Å; G132-S136 PolarHBondContact O-N 3.01Å; Y133-S136 PolarHBondContact O-N 2.84Å; Y133-S136 PolarHBondContact O-OG 3.02Å; S136-Q143 WeakPolarHBondContact O-CG 3.37Å; S136-Q143 PolarHBondContact O-NE2 3Å
137	S	85.3	Confident	89.6	Confident	47 Å²	47	47.2 Å²	47.2	33%	0.329	26%	0.263	S	S	.	.	H	α-helix	trans	-94.4	-13	-177.6	56.9	0	0	0	0	114.4	Y133 I139	Y133-S137 WeakPolarHBondContact O-CB 3.11Å; Y133-S137 PolarHBondContact O-N 3.43Å; Y133-S137 PolarHBondContact O-OG 3.37Å; S137-I139 WeakPolarHBondContact OG-CD1 3.49Å; S137-I139 VanDerWaalsContact OG-CG1 3.23Å; S137-I139 WeakPolarHBondContact OG-CG1 2.81Å
138	G	86.4	Confident	89.4	Confident	33 Å²	33	47.5 Å²	47.5	34%	0.34	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	30.9	-178.8	0	0	0	0	0	114.3	R134 N140 L141	R134-G138 WeakPolarHBondContact O-CA 3.26Å; R134-G138 PolarHBondContact O-N 3.1Å; G138-N140 PolarHBondContact O-N 2.94Å; G138-L141 CarbonylContact C-O 3.54Å; G138-L141 VanDerWaalsContact C-O 3.28Å; G138-L141 VanDerWaalsContact CA-O 3.3Å; G138-L141 WeakPolarHBondContact CA-O 3.43Å
139	I	85	Confident	89	Confident	61 Å²	61	47 Å²	47	31%	0.313	26%	0.263	S	S	.	.	S	Bend	trans	-87	102.4	-176.2	-62.9	168	0	0	0	110.6	Y133 R134 S137 L141	Y133-I139 HydrophobicContact CD1-CD1 4.23Å; Y133-I139 HydrophobicContact CE1-CD1 3.67Å; R134-I139 HydrophobicContact CG-CB 4.28Å; R134-I139 PolarHBondContact O-N 2.8Å; S137-I139 WeakPolarHBondContact OG-CD1 3.49Å; S137-I139 VanDerWaalsContact OG-CG1 3.23Å; S137-I139 WeakPolarHBondContact OG-CG1 2.81Å; I139-L141 PolarHBondContact O-N 2.94Å; I139-L141 VanDerWaalsContact O-N 3.12Å
140	N	86	Confident	88.9	Confident	95 Å²	95	48.7 Å²	48.7	51%	0.508	28%	0.275	S	S	.	.	S	Bend	trans	62.3	2.4	-175	-50.4	-78.9	0	0	0	115.4	Q109 G138	Q109-N140 VanDerWaalsContact CB-ND2 3.31Å; Q109-N140 WeakPolarHBondContact CB-ND2 3.46Å; G138-N140 PolarHBondContact O-N 2.94Å
141	L	90.3	Very high	88.9	Confident	36 Å²	36	49.3 Å²	49.3	19%	0.188	27%	0.272	C	S	.	.	S	Bend	trans	-130.3	151	178.1	-75.6	168.5	0	0	0	108.2	L113 R134 F135 G138 I139 Q143	L113-L141 HydrophobicContact CD1-CD1 3.64Å; L113-L141 HydrophobicContact CD1-CD2 4.35Å; L113-L141 HydrophobicContact CD1-CG 4.06Å; L113-L141 HydrophobicContact CD2-CD2 3.91Å; L113-L141 HydrophobicContact CD2-CG 4.04Å; R134-L141 HydrophobicContact CB-CD1 4.14Å; F135-L141 HydrophobicContact CD1-CB 4.14Å; F135-L141 HydrophobicContact CD1-CD1 4.11Å; F135-L141 HydrophobicContact CD2-CD1 4.05Å; F135-L141 HydrophobicContact CE1-CB 4.08Å; F135-L141 HydrophobicContact CE1-CD1 3.84Å; F135-L141 HydrophobicContact CE1-CD2 4.11Å; F135-L141 HydrophobicContact CE1-CG 4.25Å; F135-L141 HydrophobicContact CE2-CD1 3.72Å; F135-L141 HydrophobicContact CG-CD1 4.21Å; F135-L141 HydrophobicContact CZ-CD1 3.63Å; F135-L141 HydrophobicContact CZ-CD2 4.11Å; F135-L141 HydrophobicContact CZ-CG 4.36Å; G138-L141 CarbonylContact C-O 3.54Å; G138-L141 VanDerWaalsContact C-O 3.28Å; G138-L141 VanDerWaalsContact CA-O 3.3Å; G138-L141 WeakPolarHBondContact CA-O 3.43Å; I139-L141 PolarHBondContact O-N 2.94Å; I139-L141 VanDerWaalsContact O-N 3.12Å; L141-Q143 PolarHBondContact O-N 2.99Å
142	P	91	Very high	88.8	Confident	91 Å²	91	50 Å²	50	59%	0.591	28%	0.275	S	S	*	.			trans	-59.3	139.2	171.5	26.7	-33.7	0	0	0	109.6	V144	P142-V144 HydrophobicContact CB-CG2 4.13Å; P142-V144 HydrophobicContact CG-CG2 4.19Å; P142-V144 PolarHBondContact O-N 2.85Å
143	Q	89.7	Confident	88.7	Confident	147 Å²	147	53.3 Å²	53.3	69%	0.687	29%	0.287	S	S	*	.			trans	-71.3	97.9	179.5	-169.1	-177.8	6.4	0	0	109.7	F135 S136 L141	F135-Q143 WeakPolarHBondContact O-CA 3.46Å; S136-Q143 WeakPolarHBondContact O-CG 3.37Å; S136-Q143 PolarHBondContact O-NE2 3Å; L141-Q143 PolarHBondContact O-N 2.99Å
144	V	90.7	Very high	88.8	Confident	51 Å²	51	52.9 Å²	52.9	31%	0.309	29%	0.288	S	S	.	.			trans	-125.5	107.6	-176.2	-175.7	0	0	0	0	109.2	F135 P142 E146 S147 A148	F135-V144 HydrophobicContact CD1-CB 4.45Å; F135-V144 PolarHBondContact O-N 3.25Å; F135-V144 VanDerWaalsContact O-N 3.11Å; P142-V144 HydrophobicContact CB-CG2 4.13Å; P142-V144 HydrophobicContact CG-CG2 4.19Å; P142-V144 PolarHBondContact O-N 2.85Å; V144-E146 VanDerWaalsContact C-N 3.33Å; V144-E146 HydrophobicContact CG1-CB 4.38Å; V144-E146 PolarHBondContact O-N 3.42Å; V144-S147 WeakPolarHBondContact CG1-OG 3.45Å; V144-S147 PolarHBondContact O-N 2.86Å; V144-A148 PolarHBondContact O-N 3.29Å; V144-A148 VanDerWaalsContact O-N 3.13Å
145	C	86.1	Confident	88.8	Confident	42 Å²	42	51.9 Å²	51.9	28%	0.284	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-41.3	-179.5	132.4	0	0	0	0	112.3	S147 A148 L149 C374	C145-S147 PolarHBondContact O-N 2.82Å; C145-A148 WeakPolarHBondContact O-CB 3.34Å; C145-A148 PolarHBondContact O-N 2.9Å; C145-L149 WeakPolarHBondContact O-CG 3.27Å; C145-L149 PolarHBondContact O-N 2.95Å; C145-C374 HydrophobicContact CB-CB 3.6Å; C145-C374 WeakPolarHBondContact CB-SG 3.33Å; C145-C374 WeakPolarHBondContact SG-CB 3.26Å; C145-C374 CovalentContact SG-SG 2Å; C145-C374 PolarHBondContact SG-SG 3.48Å
146	E	87.9	Confident	88.7	Confident	96 Å²	96	50.7 Å²	50.7	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-46.3	-177.4	-64.8	-70.1	-174.7	0	0	111.1	V144 A148 L149 T150 R372	V144-E146 VanDerWaalsContact C-N 3.33Å; V144-E146 HydrophobicContact CG1-CB 4.38Å; V144-E146 PolarHBondContact O-N 3.42Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.18Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.25Å; E146-T150 WeakPolarHBondContact O-CG2 3.47Å; E146-T150 PolarHBondContact O-N 2.97Å; E146-R372 IonicContact OE1-CZ 2.74Å; E146-R372 VanDerWaalsContact OE1-CZ 3.27Å; E146-R372 IonicContact OE1-NH1 3.87Å; E146-R372 PolarHBondContact OE1-NH1 3.25Å; E146-R372 IonicContact OE1-NH2 3.16Å; E146-R372 PolarHBondContact OE1-NH2 2.94Å; E146-R372 IonicContact OE2-NH2 3.9Å; E146-R372 PolarHBondContact OE2-NH2 2.67Å; E146-R372 VanDerWaalsContact OE2-NH2 3.14Å
147	S	90.5	Very high	88.7	Confident	36 Å²	36	51.7 Å²	51.7	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-58.3	-46.2	174.9	-55.9	0	0	0	0	110.9	V144 C145 L149 T150 Y151	V144-S147 WeakPolarHBondContact CG1-OG 3.45Å; V144-S147 PolarHBondContact O-N 2.86Å; C145-S147 PolarHBondContact O-N 2.82Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 2.79Å; S147-T150 PolarHBondContact O-N 2.86Å; S147-T150 PolarHBondContact O-OG1 3.43Å; S147-Y151 VanDerWaalsContact O-CD2 3.22Å; S147-Y151 WeakPolarHBondContact O-CD2 3.15Å; S147-Y151 PolarHBondContact O-N 2.94Å
148	A	89.5	Confident	88.9	Confident	6 Å²	6	55.3 Å²	55.3	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-46.5	175.8	0	0	0	0	0	112.2	G132 F135 V144 C145 E146 T150 Y151 Y152	G132-A148 VanDerWaalsContact O-CB 3.28Å; G132-A148 WeakPolarHBondContact O-CB 3.24Å; F135-A148 HydrophobicContact CB-CB 3.8Å; V144-A148 PolarHBondContact O-N 3.29Å; V144-A148 VanDerWaalsContact O-N 3.13Å; C145-A148 WeakPolarHBondContact O-CB 3.34Å; C145-A148 PolarHBondContact O-N 2.9Å; E146-A148 VanDerWaalsContact C-N 3.32Å; E146-A148 PolarHBondContact O-N 3.18Å; A148-T150 VanDerWaalsContact C-N 3.34Å; A148-T150 PolarHBondContact O-N 2.79Å; A148-Y151 PolarHBondContact O-N 3.3Å; A148-Y152 HydrophobicContact CB-CD2 4.5Å; A148-Y152 WeakPolarHBondContact O-CD2 3.39Å; A148-Y152 PolarHBondContact O-N 2.96Å
149	L	87.1	Confident	88.8	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-41.1	177.5	-75.7	174.7	0	0	0	112.2	C145 E146 S147 Y151 Y152 R153 C374 A377 V378	C145-L149 WeakPolarHBondContact O-CG 3.27Å; C145-L149 PolarHBondContact O-N 2.95Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.25Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 2.79Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 3.16Å; L149-Y152 PolarHBondContact O-N 3.23Å; L149-R153 VanDerWaalsContact O-CB 3.28Å; L149-R153 WeakPolarHBondContact O-CB 3.2Å; L149-R153 VanDerWaalsContact O-CG 3.26Å; L149-R153 WeakPolarHBondContact O-CG 3.39Å; L149-R153 PolarHBondContact O-N 2.93Å; L149-C374 HydrophobicContact CD1-CB 3.91Å; L149-C374 HydrophobicContact CD2-CB 4.25Å; L149-C374 WeakPolarHBondContact CD2-O 3.36Å; L149-C374 HydrophobicContact CG-CB 4.04Å; L149-A377 HydrophobicContact CD2-CB 3.98Å; L149-V378 HydrophobicContact CD2-CG2 3.67Å
150	T	90.4	Very high	88.7	Confident	69 Å²	69	51.5 Å²	51.5	42%	0.423	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-40.6	179.1	62.3	0	0	0	0	112.5	E146 S147 A148 K154	E146-T150 WeakPolarHBondContact O-CG2 3.47Å; E146-T150 PolarHBondContact O-N 2.97Å; S147-T150 PolarHBondContact O-N 2.86Å; S147-T150 PolarHBondContact O-OG1 3.43Å; A148-T150 VanDerWaalsContact C-N 3.34Å; A148-T150 PolarHBondContact O-N 2.79Å; T150-K154 WeakPolarHBondContact O-CG 3.19Å; T150-K154 PolarHBondContact O-N 2.9Å
151	Y	91.8	Very high	88.5	Confident	37 Å²	37	54.7 Å²	54.7	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-46.8	177.1	-75.1	-72.8	0	0	0	112	A120 Q128 L131 F135 S147 A148 L149 R153 K154 V155	A120-Y151 HydrophobicContact CB-CD1 4.49Å; A120-Y151 HydrophobicContact CB-CE1 4.09Å; Q128-Y151 HydrophobicContact CB-CD1 4.21Å; Q128-Y151 HydrophobicContact CG-CD1 4.18Å; Q128-Y151 WeakPolarHBondContact O-CB 3.48Å; L131-Y151 HydrophobicContact CB-CD1 4.18Å; L131-Y151 HydrophobicContact CB-CD2 4.08Å; L131-Y151 HydrophobicContact CB-CE1 4.22Å; L131-Y151 HydrophobicContact CB-CE2 4.17Å; L131-Y151 HydrophobicContact CB-CG 4.1Å; L131-Y151 HydrophobicContact CD1-CD1 4.21Å; L131-Y151 HydrophobicContact CD1-CE1 3.57Å; L131-Y151 HydrophobicContact CD1-CE2 4.42Å; F135-Y151 AromaticContact CD2-CD2 3.91Å; F135-Y151 HydrophobicContact CD2-CD2 3.91Å; F135-Y151 AromaticContact CD2-CE2 3.77Å; F135-Y151 HydrophobicContact CD2-CE2 3.77Å; F135-Y151 HydrophobicContact CE2-CD2 4.05Å; F135-Y151 AromaticContact CE2-CE2 3.42Å; F135-Y151 HydrophobicContact CE2-CE2 3.42Å; F135-Y151 VanDerWaalsContact CE2-CE2 3.42Å; F135-Y151 HydrophobicContact CZ-CE2 4.46Å; S147-Y151 VanDerWaalsContact O-CD2 3.22Å; S147-Y151 WeakPolarHBondContact O-CD2 3.15Å; S147-Y151 PolarHBondContact O-N 2.94Å; A148-Y151 PolarHBondContact O-N 3.3Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 3.16Å; Y151-R153 VanDerWaalsContact C-N 3.29Å; Y151-R153 PolarHBondContact O-N 3.31Å; Y151-K154 PolarHBondContact O-N 3.3Å; Y151-V155 WeakPolarHBondContact O-CG2 3.39Å; Y151-V155 PolarHBondContact O-N 3.36Å
152	Y	90.4	Very high	87.8	Confident	14 Å²	14	57.9 Å²	57.9	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-34.5	179.2	-75.6	-60	0	0	0	112.5	G132 Y133 A148 L149 V155 A156 V378 E379 A382	G132-Y152 VanDerWaalsContact C-CE2 3.42Å; Y133-Y152 VanDerWaalsContact CA-OH 3.29Å; Y133-Y152 WeakPolarHBondContact CA-OH 3.48Å; Y133-Y152 WeakPolarHBondContact CB-OH 3.3Å; Y133-Y152 PolarHBondContact N-OH 3.5Å; A148-Y152 HydrophobicContact CB-CD2 4.5Å; A148-Y152 WeakPolarHBondContact O-CD2 3.39Å; A148-Y152 PolarHBondContact O-N 2.96Å; L149-Y152 PolarHBondContact O-N 3.23Å; Y152-V155 PolarHBondContact O-N 3.08Å; Y152-A156 WeakPolarHBondContact O-CB 3.21Å; Y152-A156 PolarHBondContact O-N 3.29Å; Y152-V378 VanDerWaalsContact O-CG1 3.22Å; Y152-V378 WeakPolarHBondContact O-CG1 2.85Å; Y152-E379 HydrophobicContact CE1-CG 4.45Å; Y152-A382 HydrophobicContact CD1-CB 3.64Å; Y152-A382 HydrophobicContact CE1-CB 4.2Å
153	R	88.1	Confident	86.8	Confident	69 Å²	69	54 Å²	54	26%	0.26	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-47.6	175.5	-82.8	178.9	171.8	169.8	-0.6	111.4	L149 Y151 V155 A156 D157 S365 V378	L149-R153 VanDerWaalsContact O-CB 3.28Å; L149-R153 WeakPolarHBondContact O-CB 3.2Å; L149-R153 VanDerWaalsContact O-CG 3.26Å; L149-R153 WeakPolarHBondContact O-CG 3.39Å; L149-R153 PolarHBondContact O-N 2.93Å; Y151-R153 VanDerWaalsContact C-N 3.29Å; Y151-R153 PolarHBondContact O-N 3.31Å; R153-V155 PolarHBondContact O-N 2.79Å; R153-A156 CarbonylContact O-C 3.57Å; R153-A156 PolarHBondContact O-N 2.72Å; R153-D157 WeakPolarHBondContact O-CB 3.36Å; R153-D157 PolarHBondContact O-N 2.83Å; R153-S365 VanDerWaalsContact NH2-CB 3.3Å; R153-S365 PolarHBondContact NH2-OG 3.39Å; R153-V378 HydrophobicContact CG-CG1 4.46Å; R153-V378 HydrophobicContact CG-CG2 4.16Å
154	K	91	Very high	85.6	Confident	99 Å²	99	49.3 Å²	49.3	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-54.5	-41.3	175.9	-67.7	173.6	-179.1	-176.2	0	112.5	T150 Y151 R158	T150-K154 WeakPolarHBondContact O-CG 3.19Å; T150-K154 PolarHBondContact O-N 2.9Å; Y151-K154 PolarHBondContact O-N 3.3Å; K154-R158 PolarHBondContact O-N 2.87Å
155	V	90.4	Very high	84	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-45.4	177.6	-177.7	0	0	0	0	110.6	P125 Q128 M129 Y151 Y152 R153 D157 R158 V159 A382 W387	P125-V155 HydrophobicContact CB-CG1 4.36Å; P125-V155 HydrophobicContact CB-CG2 4.45Å; Q128-V155 HydrophobicContact CB-CG2 3.53Å; M129-V155 HydrophobicContact CG-CB 4.31Å; M129-V155 HydrophobicContact CG-CG1 3.81Å; M129-V155 HydrophobicContact CG-CG2 3.82Å; M129-V155 HydrophobicContact SD-CG1 4.05Å; Y151-V155 WeakPolarHBondContact O-CG2 3.39Å; Y151-V155 PolarHBondContact O-N 3.36Å; Y152-V155 PolarHBondContact O-N 3.08Å; R153-V155 PolarHBondContact O-N 2.79Å; V155-D157 PolarHBondContact O-N 2.87Å; V155-R158 PolarHBondContact O-N 3.14Å; V155-V159 WeakPolarHBondContact O-CG2 3.23Å; V155-V159 PolarHBondContact O-N 3.48Å; V155-A382 HydrophobicContact CB-CB 4.15Å; V155-A382 HydrophobicContact CG1-CB 3.79Å; V155-W387 HydrophobicContact CG1-CH2 3.46Å; V155-W387 VanDerWaalsContact CG1-CH2 3.46Å; V155-W387 HydrophobicContact CG1-CZ2 3.45Å; V155-W387 VanDerWaalsContact CG1-CZ2 3.45Å
156	A	88.4	Confident	82.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-37.6	-179.4	0	0	0	0	0	112.7	Y152 R153 V159 A160 Y358 V378 V381	Y152-A156 WeakPolarHBondContact O-CB 3.21Å; Y152-A156 PolarHBondContact O-N 3.29Å; R153-A156 CarbonylContact O-C 3.57Å; R153-A156 PolarHBondContact O-N 2.72Å; A156-V159 PolarHBondContact O-N 2.98Å; A156-A160 WeakPolarHBondContact O-CB 3.27Å; A156-A160 PolarHBondContact O-N 2.85Å; A156-Y358 HydrophobicContact CB-CD2 3.99Å; A156-Y358 HydrophobicContact CB-CE2 4.11Å; A156-V378 HydrophobicContact CB-CG1 3.42Å; A156-V378 VanDerWaalsContact CB-CG1 3.42Å; A156-V381 HydrophobicContact CB-CB 4Å; A156-V381 HydrophobicContact CB-CG1 3.75Å
157	D	87.6	Confident	81.2	Confident	54 Å²	54	43.3 Å²	43.3	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-47	174	-64.8	-26.4	0	0	0	109.9	R153 V155 V159 A160 E161 Y358	R153-D157 WeakPolarHBondContact O-CB 3.36Å; R153-D157 PolarHBondContact O-N 2.83Å; V155-D157 PolarHBondContact O-N 2.87Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.49Å; D157-A160 WeakPolarHBondContact O-CB 3.4Å; D157-A160 PolarHBondContact O-N 3.44Å; D157-A160 VanDerWaalsContact O-N 3.15Å; D157-E161 WeakPolarHBondContact O-CG 3.31Å; D157-E161 PolarHBondContact O-N 3.01Å; D157-Y358 WeakPolarHBondContact OD1-CE2 3.14Å; D157-Y358 VanDerWaalsContact OD1-CZ 3.27Å; D157-Y358 PolarHBondContact OD1-OH 3.09Å
158	R	87.7	Confident	79.5	Confident	123 Å²	123	43.1 Å²	43.1	46%	0.464	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-38.9	175.8	-169.3	172.2	-176.2	163.7	1.3	112.8	G123 K154 V155 T162	G123-R158 PolarHBondContact O-NH1 2.86Å; K154-R158 PolarHBondContact O-N 2.87Å; V155-R158 PolarHBondContact O-N 3.14Å; R158-T162 WeakPolarHBondContact O-CG2 3.32Å; R158-T162 PolarHBondContact O-N 3.3Å; R158-T162 PolarHBondContact O-OG1 2.99Å
159	V	85.6	Confident	78.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-41.3	175.3	173.3	0	0	0	0	110.7	V155 A156 D157 T162 T163 V354 V381 W387	V155-V159 WeakPolarHBondContact O-CG2 3.23Å; V155-V159 PolarHBondContact O-N 3.48Å; A156-V159 PolarHBondContact O-N 2.98Å; D157-V159 VanDerWaalsContact C-N 3.33Å; D157-V159 PolarHBondContact O-N 3.49Å; V159-T162 PolarHBondContact O-N 3.46Å; V159-T162 PolarHBondContact O-OG1 2.98Å; V159-T163 PolarHBondContact O-N 2.81Å; V159-T163 PolarHBondContact O-OG1 3.23Å; V159-V354 HydrophobicContact CG1-CG1 3.69Å; V159-V381 HydrophobicContact CB-CG1 4.5Å; V159-V381 HydrophobicContact CG1-CG1 4.33Å; V159-W387 HydrophobicContact CG2-CH2 3.75Å; V159-W387 HydrophobicContact CG2-CZ2 3.94Å
160	A	82.2	Confident	76.8	Confident	11 Å²	11	47.3 Å²	47.3	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-42.8	177.2	0	0	0	0	0	111.6	A156 D157 T162 T163 F355 Y358	A156-A160 WeakPolarHBondContact O-CB 3.27Å; A156-A160 PolarHBondContact O-N 2.85Å; D157-A160 WeakPolarHBondContact O-CB 3.4Å; D157-A160 PolarHBondContact O-N 3.44Å; D157-A160 VanDerWaalsContact O-N 3.15Å; A160-T162 VanDerWaalsContact C-N 3.3Å; A160-T162 PolarHBondContact O-N 3.18Å; A160-T163 PolarHBondContact O-N 3.28Å; A160-T163 VanDerWaalsContact O-N 3.11Å; A160-F355 HydrophobicContact CB-CE1 4.14Å; A160-F355 VanDerWaalsContact O-CZ 3.22Å; A160-F355 WeakPolarHBondContact O-CZ 3.47Å; A160-Y358 HydrophobicContact CB-CD2 4.02Å; A160-Y358 HydrophobicContact CB-CE2 4.22Å; A160-Y358 HydrophobicContact CB-CG 4.18Å
161	E	82.5	Confident	75.5	Confident	162 Å²	162	45.3 Å²	45.3	76%	0.757	23%	0.233	S	C	*	.	H	α-helix	trans	-61.7	-35.1	176.1	-74	172.3	-177.2	0	0	113.1	D157 T163	D157-E161 WeakPolarHBondContact O-CG 3.31Å; D157-E161 PolarHBondContact O-N 3.01Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 3.48Å
162	T	75.2	Confident	74.1	Confident	102 Å²	102	47.2 Å²	47.2	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-75.7	-15.6	177.2	55.5	0	0	0	0	113.8	R158 V159 A160	R158-T162 WeakPolarHBondContact O-CG2 3.32Å; R158-T162 PolarHBondContact O-N 3.3Å; R158-T162 PolarHBondContact O-OG1 2.99Å; V159-T162 PolarHBondContact O-N 3.46Å; V159-T162 PolarHBondContact O-OG1 2.98Å; A160-T162 VanDerWaalsContact C-N 3.3Å; A160-T162 PolarHBondContact O-N 3.18Å
163	T	69.5	Low	72.9	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.067	26%	0.263	C	S	.	.	S	Bend	trans	-96.3	128.4	-179.3	-49.4	0	0	0	0	107.9	V159 A160 E161 F355	V159-T163 PolarHBondContact O-N 2.81Å; V159-T163 PolarHBondContact O-OG1 3.23Å; A160-T163 PolarHBondContact O-N 3.28Å; A160-T163 VanDerWaalsContact O-N 3.11Å; E161-T163 VanDerWaalsContact C-N 3.26Å; E161-T163 PolarHBondContact O-N 3.48Å; T163-F355 HydrophobicContact CG2-CD2 3.67Å; T163-F355 HydrophobicContact CG2-CE2 3.53Å; T163-F355 WeakPolarHBondContact O-CE2 3.47Å; T163-F355 WeakPolarHBondContact O-CZ 3.48Å
164	S	65	Low	71.6	Confident	48 Å²	48	50.1 Å²	50.1	34%	0.336	26%	0.256	S	S	.	.			trans	-94.7	170.8	175.2	71.8	0	0	0	0	112.7	G166 L167 D257	S164-G166 PolarHBondContact O-N 2.92Å; S164-L167 WeakPolarHBondContact OG-CB 3.26Å; S164-L167 PolarHBondContact OG-N 3.13Å; S164-D257 PolarHBondContact OG-OD2 2.88Å
165	F	57.8	Low	70.2	Confident	39 Å²	39	51.3 Å²	51.3	17%	0.171	26%	0.258	C	S	.	.	S	Bend	trans	-53.1	-43.2	-175.3	167.9	-99.5	0	0	0	114.1	L256 Y290 Q323	F165-L256 HydrophobicContact CD1-CD2 3.66Å; F165-L256 HydrophobicContact CE1-CD2 4.05Å; F165-Y290 AromaticContact CD1-CD1 3.87Å; F165-Y290 HydrophobicContact CD1-CD1 3.87Å; F165-Y290 AromaticContact CD1-CE1 3.67Å; F165-Y290 HydrophobicContact CD1-CE1 3.67Å; F165-Y290 HydrophobicContact CD1-CG 4.49Å; F165-Y290 HydrophobicContact CD2-CD1 4.15Å; F165-Y290 AromaticContact CD2-CD2 3.87Å; F165-Y290 HydrophobicContact CD2-CD2 3.87Å; F165-Y290 AromaticContact CD2-CE1 3.75Å; F165-Y290 HydrophobicContact CD2-CE1 3.75Å; F165-Y290 AromaticContact CD2-CE2 3.44Å; F165-Y290 HydrophobicContact CD2-CE2 3.44Å; F165-Y290 VanDerWaalsContact CD2-CE2 3.44Å; F165-Y290 HydrophobicContact CD2-CG 4.18Å; F165-Y290 AromaticContact CD2-CZ 3.36Å; F165-Y290 AromaticContact CE1-CD1 3.29Å; F165-Y290 HydrophobicContact CE1-CD1 3.29Å; F165-Y290 HydrophobicContact CE1-CD2 4.33Å; F165-Y290 AromaticContact CE1-CE1 3.61Å; F165-Y290 HydrophobicContact CE1-CE1 3.61Å; F165-Y290 AromaticContact CE1-CG 3.67Å; F165-Y290 HydrophobicContact CE1-CG 3.67Å; F165-Y290 AromaticContact CE2-CD1 3.6Å; F165-Y290 HydrophobicContact CE2-CD1 3.6Å; F165-Y290 AromaticContact CE2-CD2 3.08Å; F165-Y290 HydrophobicContact CE2-CD2 3.08Å; F165-Y290 AromaticContact CE2-CE1 3.69Å; F165-Y290 HydrophobicContact CE2-CE1 3.69Å; F165-Y290 AromaticContact CE2-CE2 3.17Å; F165-Y290 HydrophobicContact CE2-CE2 3.17Å; F165-Y290 AromaticContact CE2-CG 3.27Å; F165-Y290 HydrophobicContact CE2-CG 3.27Å; F165-Y290 AromaticContact CE2-CZ 3.48Å; F165-Y290 VanDerWaalsContact CE2-CZ 3.48Å; F165-Y290 HydrophobicContact CG-CD1 4.29Å; F165-Y290 AromaticContact CG-CE1 3.77Å; F165-Y290 HydrophobicContact CG-CE1 3.77Å; F165-Y290 HydrophobicContact CG-CE2 4.29Å; F165-Y290 AromaticContact CG-CZ 3.75Å; F165-Y290 AromaticContact CZ-CD1 3.17Å; F165-Y290 HydrophobicContact CZ-CD1 3.17Å; F165-Y290 AromaticContact CZ-CD2 3.39Å; F165-Y290 HydrophobicContact CZ-CD2 3.39Å; F165-Y290 AromaticContact CZ-CE1 3.65Å; F165-Y290 HydrophobicContact CZ-CE1 3.65Å; F165-Y290 AromaticContact CZ-CE2 3.85Å; F165-Y290 HydrophobicContact CZ-CE2 3.85Å; F165-Y290 AromaticContact CZ-CG 2.99Å; F165-Y290 HydrophobicContact CZ-CG 2.99Å; F165-Y290 AromaticContact CZ-CZ 3.96Å; F165-Q323 HydrophobicContact CE2-CG 4.05Å; F165-Q323 VanDerWaalsContact CE2-NE2 3.34Å
166	G	56.4	Low	68.9	Low	8 Å²	8	56.3 Å²	56.3	8%	0.082	28%	0.284	C	S	.	.	S	Bend	trans	-114.9	-18.8	-176.8	0	0	0	0	0	115.4	S164 D257	S164-G166 PolarHBondContact O-N 2.92Å; G166-D257 VanDerWaalsContact CA-OD2 3.31Å; G166-D257 WeakPolarHBondContact CA-OD2 3.33Å; G166-D257 PolarHBondContact N-OD2 3.14Å
167	L	57.5	Low	67.4	Low	16 Å²	16	60.6 Å²	60.6	8%	0.084	31%	0.31	C	S	.	.			trans	-105.2	52.9	-179.8	-73.5	77	0	0	0	111.8	S164 T169 L219 Y229 D257 T259	S164-L167 WeakPolarHBondContact OG-CB 3.26Å; S164-L167 PolarHBondContact OG-N 3.13Å; L167-T169 PolarHBondContact O-N 2.9Å; L167-L219 HydrophobicContact CD1-CD1 4.39Å; L167-L219 HydrophobicContact CD2-CD1 3.55Å; L167-L219 HydrophobicContact CD2-CG 4.14Å; L167-L219 HydrophobicContact CG-CD1 3.85Å; L167-L219 HydrophobicContact CG-CD2 4.41Å; L167-L219 HydrophobicContact CG-CG 3.99Å; L167-Y229 HydrophobicContact CD2-CD1 4.47Å; L167-Y229 HydrophobicContact CD2-CE1 3.7Å; L167-D257 HydrophobicContact CD1-CB 3.67Å; L167-D257 WeakPolarHBondContact CD1-OD2 3.48Å; L167-D257 PolarHBondContact N-OD2 3.43Å; L167-T259 HydrophobicContact CD2-CG2 3.96Å
168	S	55.9	Low	65.7	Low	31 Å²	31	62.9 Å²	62.9	22%	0.217	32%	0.319	C	S	.	.			trans	-65.2	112.9	174.1	75.6	0	0	0	0	110.3	S170	S168-S170 PolarHBondContact O-N 3.38Å; S168-S170 VanDerWaalsContact O-N 3.09Å
169	T	59.2	Low	63.9	Low	53 Å²	53	59 Å²	59	33%	0.325	31%	0.307	S	S	.	.			trans	-61	113.7	174	-17.5	0	0	0	0	108.2	L167 V171 T220 L227	L167-T169 PolarHBondContact O-N 2.9Å; T169-V171 PolarHBondContact O-N 2.81Å; T169-T220 VanDerWaalsContact CG2-O 3.28Å; T169-T220 WeakPolarHBondContact CG2-O 3.49Å; T169-L227 HydrophobicContact CG2-CD1 4.43Å
170	S	60	Low	62.2	Low	43 Å²	43	62.6 Å²	62.6	30%	0.301	34%	0.337	S	S	.	.			trans	-79.1	91.3	-175.3	66.3	0	0	0	0	109.9	S168 Q172 G222	S168-S170 PolarHBondContact O-N 3.38Å; S168-S170 VanDerWaalsContact O-N 3.09Å; S170-Q172 PolarHBondContact O-N 3.49Å; S170-G222 WeakPolarHBondContact OG-CA 3.37Å
171	V	63.1	Low	60.6	Low	28 Å²	28	69.8 Å²	69.8	17%	0.17	37%	0.369	C	S	.	.			trans	-86.6	108.2	174	-178.9	0	0	0	0	109.5	T169 R384 S388	T169-V171 PolarHBondContact O-N 2.81Å; V171-R384 HydrophobicContact CB-CB 4.09Å; V171-R384 HydrophobicContact CB-CG 4.22Å; V171-R384 HydrophobicContact CG1-CB 4.25Å; V171-R384 HydrophobicContact CG1-CG 4.22Å; V171-R384 WeakPolarHBondContact CG2-O 3.07Å; V171-S388 WeakPolarHBondContact CG1-OG 3.19Å
172	Q	62.6	Low	58.9	Low	77 Å²	77	64.6 Å²	64.6	36%	0.36	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-86.6	142	176	-66	-172.9	-0.7	0	0	110.9	S170	S170-Q172 PolarHBondContact O-N 3.49Å
173	R	65.1	Low	57.4	Low	122 Å²	122	65.5 Å²	65.5	46%	0.46	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-80.8	121.8	173.9	-175.8	177.8	-176.9	164.6	9.6	109	E383	R173-E383 IonicContact CZ-OE2 3.17Å; R173-E383 IonicContact NE-OE2 2.64Å; R173-E383 IonicContact NH1-OE2 2.94Å; R173-E383 IonicContact NH2-OE1 2.78Å; R173-E383 IonicContact NH2-OE2 2.81Å
174	L	60.9	Low	56.2	Low	21 Å²	21	69 Å²	69	11%	0.11	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-91.3	137.6	171.4	-55.8	102.4	0	0	0	110.3	T189 L190 M392 Y395	L174-T189 VanDerWaalsContact CD2-OG1 3.26Å; L174-T189 WeakPolarHBondContact CD2-OG1 3.41Å; L174-L190 HydrophobicContact CD2-CD1 3.88Å; L174-M392 HydrophobicContact CD1-CE 4.4Å; L174-M392 HydrophobicContact CD1-CG 4.16Å; L174-M392 HydrophobicContact CD1-SD 3.14Å; L174-M392 WeakPolarHBondContact CD1-SD 3.35Å; L174-M392 HydrophobicContact CD2-SD 3.85Å; L174-M392 HydrophobicContact CG-SD 4.04Å; L174-Y395 HydrophobicContact CD2-CD1 3.62Å; L174-Y395 HydrophobicContact CD2-CE1 3.69Å; L174-Y395 HydrophobicContact CD2-CG 4.13Å
175	R	62.4	Low	55.2	Low	125 Å²	125	69.1 Å²	69.1	47%	0.472	38%	0.379	S	S	.	.			trans	-119.2	103.9	171.3	-75.6	-176.9	178.5	170	1.7	108.9	T177 E178	R175-T177 PolarHBondContact O-N 3.3Å; R175-T177 VanDerWaalsContact O-N 3.13Å; R175-E178 HydrophobicContact CB-CB 4.41Å; R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 VanDerWaalsContact CD-OE1 3.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.21Å; R175-E178 IonicContact CZ-OE1 3.82Å; R175-E178 IonicContact NE-OE1 3.09Å; R175-E178 IonicContact NH1-OE1 3.8Å; R175-E178 PolarHBondContact NH1-OE1 3.46Å; R175-E178 PolarHBondContact O-N 3.37Å
176	L	61.7	Low	54.5	Low	105 Å²	105	71.2 Å²	71.2	55%	0.55	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-31	-178.7	-60.3	175.9	0	0	0	113.4	A180 Y395	L176-A180 WeakPolarHBondContact O-CB 3.47Å; L176-A180 PolarHBondContact O-N 2.96Å; L176-Y395 HydrophobicContact CD2-CD2 3.31Å; L176-Y395 HydrophobicContact CD2-CE2 3.56Å; L176-Y395 HydrophobicContact CD2-CG 4.47Å
177	T	58.2	Low	54	Low	90 Å²	90	75.5 Å²	75.5	55%	0.552	44%	0.437	S	S	*	.	H	α-helix	trans	-73.3	-37.7	-177	54.1	0	0	0	0	113.3	R175 E181	R175-T177 PolarHBondContact O-N 3.3Å; R175-T177 VanDerWaalsContact O-N 3.13Å; T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.01Å
178	E	51.5	Low	53.6	Low	103 Å²	103	77.3 Å²	77.3	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-72.2	-39.4	-175.8	-70.5	178.5	-171.9	0	0	111.4	R175 E181 D182	R175-E178 HydrophobicContact CB-CB 4.41Å; R175-E178 HydrophobicContact CB-CG 4.29Å; R175-E178 VanDerWaalsContact CD-OE1 3.22Å; R175-E178 WeakPolarHBondContact CD-OE1 3.21Å; R175-E178 IonicContact CZ-OE1 3.82Å; R175-E178 IonicContact NE-OE1 3.09Å; R175-E178 IonicContact NH1-OE1 3.8Å; R175-E178 PolarHBondContact NH1-OE1 3.46Å; R175-E178 PolarHBondContact O-N 3.37Å; E178-E181 PolarHBondContact O-N 3.01Å; E178-D182 PolarHBondContact O-N 3.32Å
179	D	50.6	Low	53.7	Low	42 Å²	42	76.9 Å²	76.9	23%	0.225	45%	0.447	C	S	.	.	H	α-helix	trans	-69.6	-36.5	178.8	-68.3	-17.8	0	0	0	112.2	E181 Y395	D179-E181 VanDerWaalsContact C-N 3.34Å; D179-Y395 PolarHBondContact OD2-OH 2.8Å
180	A	49.1	Very low	53.8	Low	78 Å²	78	75.5 Å²	75.5	65%	0.645	44%	0.438	S	S	*	.	H	α-helix	trans	-67.5	-33.9	178.4	0	0	0	0	0	112.6	L176	L176-A180 WeakPolarHBondContact O-CB 3.47Å; L176-A180 PolarHBondContact O-N 2.96Å
181	E	47.8	Very low	54	Low	162 Å²	162	75.2 Å²	75.2	76%	0.757	43%	0.432	S	S	*	.	H	α-helix	trans	-79.1	-29	179.3	-72.3	-178.3	-176	0	0	113.1	T177 E178 D179	T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.01Å; E178-E181 PolarHBondContact O-N 3.01Å; D179-E181 VanDerWaalsContact C-N 3.34Å
182	D	46.9	Very low	54.3	Low	53 Å²	53	79.8 Å²	79.8	28%	0.283	45%	0.451	S	S	.	.			trans	-136	66.1	-169.9	-119.4	-3.6	0	0	0	111.3	E178 S184 S185 K574	E178-D182 PolarHBondContact O-N 3.32Å; D182-S184 PolarHBondContact O-N 2.92Å; D182-S185 VanDerWaalsContact O-CB 3.25Å; D182-S185 WeakPolarHBondContact O-CB 3.24Å; D182-S185 PolarHBondContact O-N 3.21Å; D182-K574 IonicContact OD1-NZ 2.93Å; D182-K574 PolarHBondContact OD1-NZ 2.89Å; D182-K574 IonicContact OD2-NZ 2.67Å; D182-K574 PolarHBondContact OD2-NZ 2.97Å
183	P	45.2	Very low	54.7	Low	120 Å²	120	82.6 Å²	82.6	78%	0.779	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.7	177.8	23.2	-33.5	0	0	0	113.6
184	S	43.7	Very low	55.3	Low	84 Å²	84	82.5 Å²	82.5	59%	0.587	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7	174.2	69.3	0	0	0	0	114.6	D182 G186	D182-S184 PolarHBondContact O-N 2.92Å; S184-G186 VanDerWaalsContact C-N 3.29Å; S184-G186 PolarHBondContact O-N 2.94Å
185	S	43.9	Very low	56.3	Low	51 Å²	51	84.6 Å²	84.6	36%	0.357	48%	0.484	S	S	.	.			trans	-65	96.3	163.7	175.1	0	0	0	0	106.1	D182 T187	D182-S185 VanDerWaalsContact O-CB 3.25Å; D182-S185 WeakPolarHBondContact O-CB 3.24Å; D182-S185 PolarHBondContact O-N 3.21Å; S185-T187 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact OG-OG1 2.9Å
186	G	42.7	Very low	57.3	Low	83 Å²	83	79.8 Å²	79.8	86%	0.856	47%	0.468	S	S	*	.			trans	-65.2	28.2	176.9	0	0	0	0	0	114	S184 S188	S184-G186 VanDerWaalsContact C-N 3.29Å; S184-G186 PolarHBondContact O-N 2.94Å; G186-S188 VanDerWaalsContact C-N 3.33Å
187	T	46	Very low	58.5	Low	98 Å²	98	79.5 Å²	79.5	60%	0.601	46%	0.464	S	S	*	.			trans	-100.7	48.8	176.2	-26.4	0	0	0	0	108.5	S185 T189	S185-T187 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact OG-OG1 2.9Å; T187-T189 PolarHBondContact O-N 3.24Å
188	S	49.8	Very low	60	Low	55 Å²	55	81.3 Å²	81.3	39%	0.385	46%	0.461	S	S	.	.			trans	-54.6	115.2	168.8	-179.4	0	0	0	0	107.5	G186 L190	G186-S188 VanDerWaalsContact C-N 3.33Å; S188-L190 VanDerWaalsContact C-N 3.27Å; S188-L190 PolarHBondContact OG-O 3.39Å
189	T	57.7	Low	61.8	Low	22 Å²	22	80.9 Å²	80.9	14%	0.135	46%	0.456	C	S	.	.	S	Bend	trans	-69.9	-28.8	-175.9	45.7	0	0	0	0	111.2	L174 T187	L174-T189 VanDerWaalsContact CD2-OG1 3.26Å; L174-T189 WeakPolarHBondContact CD2-OG1 3.41Å; T187-T189 PolarHBondContact O-N 3.24Å
190	L	60.1	Low	63.8	Low	24 Å²	24	82.2 Å²	82.2	13%	0.126	46%	0.459	C	S	.	.	S	Bend	trans	-94.3	143.1	167.1	-81.8	101.3	0	0	0	112	L174 S188 E192 R223 M392 Y395	L174-L190 HydrophobicContact CD2-CD1 3.88Å; S188-L190 VanDerWaalsContact C-N 3.27Å; S188-L190 PolarHBondContact OG-O 3.39Å; L190-E192 PolarHBondContact O-N 3.05Å; L190-R223 WeakPolarHBondContact CA-O 3.49Å; L190-M392 HydrophobicContact CD1-CE 3.9Å; L190-M392 HydrophobicContact CD1-SD 3.92Å; L190-M392 HydrophobicContact CD2-CE 4.42Å; L190-M392 HydrophobicContact CG-CE 3.93Å; L190-Y395 HydrophobicContact CD1-CD1 3.48Å; L190-Y395 VanDerWaalsContact CD1-CD1 3.48Å; L190-Y395 HydrophobicContact CD1-CE1 3.63Å
191	M	65.1	Low	66	Low	37 Å²	37	83.6 Å²	83.6	18%	0.182	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-73	121.1	166.6	-77.7	-71.2	-70.7	0	0	108.7	L195 Y199 R223 V225	M191-L195 HydrophobicContact CE-CB 4.12Å; M191-L195 HydrophobicContact CE-CD2 3.55Å; M191-L195 HydrophobicContact CE-CG 3.57Å; M191-L195 HydrophobicContact SD-CD2 3.63Å; M191-L195 HydrophobicContact SD-CG 4.33Å; M191-Y199 HydrophobicContact CE-CD2 3.67Å; M191-Y199 HydrophobicContact CE-CE2 3.78Å; M191-R223 HydrophobicContact CB-CB 4.15Å; M191-R223 HydrophobicContact CG-CB 3.55Å; M191-R223 VanDerWaalsContact CG-CD 3.45Å; M191-R223 HydrophobicContact CG-CG 4.16Å; M191-R223 PolarHBondContact N-O 3.32Å; M191-V225 HydrophobicContact CB-CG2 4.38Å
192	E	69.9	Low	68.2	Low	123 Å²	123	77.7 Å²	77.7	58%	0.575	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-60.6	140.2	169.9	-65.7	177.2	-172.2	0	0	110	L190 N194 L195 L196	L190-E192 PolarHBondContact O-N 3.05Å; E192-N194 PolarHBondContact O-N 3.45Å; E192-L195 HydrophobicContact CB-CB 4.31Å; E192-L195 WeakPolarHBondContact O-CA 3.29Å; E192-L195 WeakPolarHBondContact O-CB 3.2Å; E192-L195 PolarHBondContact O-N 3.15Å; E192-L196 PolarHBondContact O-N 2.81Å
193	E	69.7	Low	70.4	Confident	137 Å²	137	75.2 Å²	75.2	64%	0.64	41%	0.412	S	S	*	.	H	α-helix	trans	-56.3	-40.2	-178	-167.9	-172.3	161.5	0	0	111.8	L195 L196 Q197	E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.1Å; E193-L196 WeakPolarHBondContact O-CB 3.18Å; E193-L196 PolarHBondContact O-N 3.09Å; E193-Q197 WeakPolarHBondContact O-CG 3.37Å; E193-Q197 PolarHBondContact O-N 3.33Å; E193-Q197 PolarHBondContact OE1-NE2 3.37Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.08Å
194	N	78.5	Confident	72.6	Confident	119 Å²	119	75 Å²	75	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-60.2	-38.5	176.3	-65	-28	0	0	0	112.2	E192 Q197 Y198	E192-N194 PolarHBondContact O-N 3.45Å; N194-Q197 PolarHBondContact O-N 3.35Å; N194-Y198 WeakPolarHBondContact O-CB 3.22Å; N194-Y198 PolarHBondContact O-N 2.97Å
195	L	81.6	Confident	75	Confident	65 Å²	65	78.3 Å²	78.3	34%	0.34	41%	0.408	S	S	.	.	H	α-helix	trans	-71.2	-39.7	178.1	-172.9	63.8	0	0	0	110.8	M191 E192 E193 Y198 Y199	M191-L195 HydrophobicContact CE-CB 4.12Å; M191-L195 HydrophobicContact CE-CD2 3.55Å; M191-L195 HydrophobicContact CE-CG 3.57Å; M191-L195 HydrophobicContact SD-CD2 3.63Å; M191-L195 HydrophobicContact SD-CG 4.33Å; E192-L195 HydrophobicContact CB-CB 4.31Å; E192-L195 WeakPolarHBondContact O-CA 3.29Å; E192-L195 WeakPolarHBondContact O-CB 3.2Å; E192-L195 PolarHBondContact O-N 3.15Å; E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.1Å; L195-Y198 HydrophobicContact CD1-CD1 4.47Å; L195-Y198 PolarHBondContact O-N 3.02Å; L195-Y199 HydrophobicContact CD1-CD2 4.2Å; L195-Y199 HydrophobicContact CD1-CE2 3.73Å; L195-Y199 HydrophobicContact CD2-CE2 4.22Å; L195-Y199 HydrophobicContact CG-CD2 3.99Å; L195-Y199 HydrophobicContact CG-CE2 3.7Å; L195-Y199 WeakPolarHBondContact O-CD2 3.35Å; L195-Y199 PolarHBondContact O-N 3.22Å
196	L	84.6	Confident	77.2	Confident	25 Å²	25	77.8 Å²	77.8	13%	0.131	41%	0.411	C	S	.	.	H	α-helix	trans	-60.8	-46.7	172.4	179.9	66.9	0	0	0	111.5	E192 E193 Y198 Y199 K200 L214 V225	E192-L196 PolarHBondContact O-N 2.81Å; E193-L196 WeakPolarHBondContact O-CB 3.18Å; E193-L196 PolarHBondContact O-N 3.09Å; L196-Y198 VanDerWaalsContact C-N 3.31Å; L196-Y198 PolarHBondContact O-N 3.21Å; L196-Y199 PolarHBondContact O-N 3.1Å; L196-K200 WeakPolarHBondContact O-CG 3.48Å; L196-K200 PolarHBondContact O-N 2.86Å; L196-L214 HydrophobicContact CD1-CD2 3.6Å; L196-V225 HydrophobicContact CD1-CG1 4.4Å; L196-V225 HydrophobicContact CD1-CG2 4.01Å; L196-V225 HydrophobicContact CD2-CG2 4.36Å
197	Q	85.8	Confident	79.7	Confident	99 Å²	99	77.4 Å²	77.4	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-40.2	176.3	-71.1	-179.6	16.6	0	0	111.8	E193 N194 K200 F201	E193-Q197 WeakPolarHBondContact O-CG 3.37Å; E193-Q197 PolarHBondContact O-N 3.33Å; E193-Q197 PolarHBondContact OE1-NE2 3.37Å; E193-Q197 VanDerWaalsContact OE1-NE2 3.08Å; N194-Q197 PolarHBondContact O-N 3.35Å; Q197-K200 WeakPolarHBondContact O-CB 3.23Å; Q197-K200 PolarHBondContact O-N 2.8Å; Q197-F201 PolarHBondContact O-N 3.12Å
198	Y	89.3	Confident	82.1	Confident	128 Å²	128	74.9 Å²	74.9	50%	0.502	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-44.6	174.6	177.6	-106	0	0	0	112.5	N194 L195 L196 K200 F201 L202	N194-Y198 WeakPolarHBondContact O-CB 3.22Å; N194-Y198 PolarHBondContact O-N 2.97Å; L195-Y198 HydrophobicContact CD1-CD1 4.47Å; L195-Y198 PolarHBondContact O-N 3.02Å; L196-Y198 VanDerWaalsContact C-N 3.31Å; L196-Y198 PolarHBondContact O-N 3.21Å; Y198-K200 PolarHBondContact O-N 2.8Å; Y198-F201 WeakPolarHBondContact O-CB 3.41Å; Y198-F201 PolarHBondContact O-N 2.81Å; Y198-L202 HydrophobicContact CD1-CD1 4.05Å; Y198-L202 HydrophobicContact CE1-CD1 3.47Å; Y198-L202 VanDerWaalsContact CE1-CD1 3.47Å; Y198-L202 HydrophobicContact CE1-CG 4.18Å; Y198-L202 WeakPolarHBondContact O-CG 3.39Å; Y198-L202 PolarHBondContact O-N 3.23Å
199	Y	90.9	Very high	84.1	Confident	94 Å²	94	74.6 Å²	74.6	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-37.6	175.4	-81.3	-65.5	0	0	0	112.6	M191 L195 L196 F201 L202 A203 A210	M191-Y199 HydrophobicContact CE-CD2 3.67Å; M191-Y199 HydrophobicContact CE-CE2 3.78Å; L195-Y199 HydrophobicContact CD1-CD2 4.2Å; L195-Y199 HydrophobicContact CD1-CE2 3.73Å; L195-Y199 HydrophobicContact CD2-CE2 4.22Å; L195-Y199 HydrophobicContact CG-CD2 3.99Å; L195-Y199 HydrophobicContact CG-CE2 3.7Å; L195-Y199 WeakPolarHBondContact O-CD2 3.35Å; L195-Y199 PolarHBondContact O-N 3.22Å; L196-Y199 PolarHBondContact O-N 3.1Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; Y199-L202 HydrophobicContact CD1-CD1 4.29Å; Y199-L202 PolarHBondContact O-N 2.88Å; Y199-A203 WeakPolarHBondContact O-CB 3.09Å; Y199-A203 PolarHBondContact O-N 2.8Å; Y199-A210 HydrophobicContact CD1-CB 4.16Å
200	K	92.2	Very high	85.9	Confident	69 Å²	69	73.8 Å²	73.8	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-58.2	-49.2	173.3	-74.7	174.6	175.6	-179.3	0	110.8	L196 Q197 Y198 L202 A203 D204 L214 Y218	L196-K200 WeakPolarHBondContact O-CG 3.48Å; L196-K200 PolarHBondContact O-N 2.86Å; Q197-K200 WeakPolarHBondContact O-CB 3.23Å; Q197-K200 PolarHBondContact O-N 2.8Å; Y198-K200 PolarHBondContact O-N 2.8Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 3.23Å; K200-A203 WeakPolarHBondContact O-CB 3.44Å; K200-A203 PolarHBondContact O-N 3.48Å; K200-A203 VanDerWaalsContact O-N 3.12Å; K200-D204 PolarHBondContact O-N 3.01Å; K200-L214 HydrophobicContact CB-CD1 4.45Å; K200-L214 HydrophobicContact CG-CD1 4.06Å; K200-Y218 WeakPolarHBondContact CE-OH 3.41Å; K200-Y218 PolarHBondContact NZ-OH 3.05Å
201	F	94.4	Very high	87.6	Confident	107 Å²	107	73.2 Å²	73.2	47%	0.469	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-39.7	176.7	174.5	-101.4	0	0	0	113.1	Q197 Y198 Y199 K205	Q197-F201 PolarHBondContact O-N 3.12Å; Y198-F201 WeakPolarHBondContact O-CB 3.41Å; Y198-F201 PolarHBondContact O-N 2.81Å; Y199-F201 VanDerWaalsContact C-N 3.34Å; F201-K205 HydrophobicContact CD1-CD 4.37Å; F201-K205 HydrophobicContact CE1-CD 3.81Å; F201-K205 HydrophobicContact CE2-CD 4.49Å; F201-K205 HydrophobicContact CZ-CD 3.92Å; F201-K205 WeakPolarHBondContact O-CG 3.38Å; F201-K205 PolarHBondContact O-N 2.71Å; F201-K205 VanDerWaalsContact O-N 3.11Å
202	L	93.9	Very high	89	Confident	39 Å²	39	72.1 Å²	72.1	20%	0.204	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-43.2	174.4	-72.2	178.7	0	0	0	112.3	Y198 Y199 K200 D204 K205 G206 D207 A210	Y198-L202 HydrophobicContact CD1-CD1 4.05Å; Y198-L202 HydrophobicContact CE1-CD1 3.47Å; Y198-L202 VanDerWaalsContact CE1-CD1 3.47Å; Y198-L202 HydrophobicContact CE1-CG 4.18Å; Y198-L202 WeakPolarHBondContact O-CG 3.39Å; Y198-L202 PolarHBondContact O-N 3.23Å; Y199-L202 HydrophobicContact CD1-CD1 4.29Å; Y199-L202 PolarHBondContact O-N 2.88Å; K200-L202 VanDerWaalsContact C-N 3.3Å; K200-L202 PolarHBondContact O-N 3.23Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.45Å; L202-K205 WeakPolarHBondContact O-CB 3.47Å; L202-K205 PolarHBondContact O-N 3.05Å; L202-G206 PolarHBondContact O-N 3.33Å; L202-D207 HydrophobicContact CB-CB 4.24Å; L202-D207 WeakPolarHBondContact O-CB 3.22Å; L202-D207 PolarHBondContact O-N 3.18Å; L202-A210 HydrophobicContact CB-CB 3.89Å
203	A	94.2	Very high	90	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-39.4	178	0	0	0	0	0	112.1	Y199 K200 K205 G206 A210 Q211 L214 Y235	Y199-A203 WeakPolarHBondContact O-CB 3.09Å; Y199-A203 PolarHBondContact O-N 2.8Å; K200-A203 WeakPolarHBondContact O-CB 3.44Å; K200-A203 PolarHBondContact O-N 3.48Å; K200-A203 VanDerWaalsContact O-N 3.12Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 2.9Å; A203-G206 WeakPolarHBondContact O-CA 3.44Å; A203-G206 PolarHBondContact O-N 3.32Å; A203-A210 HydrophobicContact CB-CB 4.14Å; A203-Q211 HydrophobicContact CB-CG 3.71Å; A203-Q211 PolarHBondContact O-NE2 3.44Å; A203-L214 HydrophobicContact CB-CD1 3.66Å; A203-Y235 HydrophobicContact CB-CD1 4.17Å; A203-Y235 HydrophobicContact CB-CE1 3.8Å
204	D	91.7	Very high	91.1	Very high	116 Å²	116	61.2 Å²	61.2	62%	0.62	32%	0.324	S	S	*	.	H	α-helix	trans	-67.9	-29.5	176.1	-63.8	-16.6	0	0	0	111.8	K200 L202 G206	K200-D204 PolarHBondContact O-N 3.01Å; L202-D204 VanDerWaalsContact C-N 3.33Å; L202-D204 PolarHBondContact O-N 3.45Å; D204-G206 PolarHBondContact O-N 3.4Å
205	K	92.6	Very high	91.7	Very high	152 Å²	152	55.6 Å²	55.6	66%	0.661	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.2	169.7	-79.4	-173	167.9	-177.7	0	114.2	F201 L202 A203	F201-K205 HydrophobicContact CD1-CD 4.37Å; F201-K205 HydrophobicContact CE1-CD 3.81Å; F201-K205 HydrophobicContact CE2-CD 4.49Å; F201-K205 HydrophobicContact CZ-CD 3.92Å; F201-K205 WeakPolarHBondContact O-CG 3.38Å; F201-K205 PolarHBondContact O-N 2.71Å; F201-K205 VanDerWaalsContact O-N 3.11Å; L202-K205 WeakPolarHBondContact O-CB 3.47Å; L202-K205 PolarHBondContact O-N 3.05Å; A203-K205 VanDerWaalsContact C-N 3.28Å; A203-K205 PolarHBondContact O-N 2.9Å
206	G	90.6	Very high	92.1	Very high	41 Å²	41	56.8 Å²	56.8	42%	0.423	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	16.2	178.2	0	0	0	0	0	114.9	L202 A203 D204 V208	L202-G206 PolarHBondContact O-N 3.33Å; A203-G206 WeakPolarHBondContact O-CA 3.44Å; A203-G206 PolarHBondContact O-N 3.32Å; D204-G206 PolarHBondContact O-N 3.4Å; G206-V208 PolarHBondContact O-N 3.43Å
207	D	95.5	Very high	92.2	Very high	75 Å²	75	56.4 Å²	56.4	40%	0.401	30%	0.295	S	S	.	.			trans	-68.5	104.6	170.3	178.3	28.5	0	0	0	110.5	L202 G209 A210 Q211	L202-D207 HydrophobicContact CB-CB 4.24Å; L202-D207 WeakPolarHBondContact O-CB 3.22Å; L202-D207 PolarHBondContact O-N 3.18Å; D207-G209 PolarHBondContact O-N 3.06Å; D207-G209 PolarHBondContact OD1-N 3.13Å; D207-A210 HydrophobicContact CB-CB 4.03Å; D207-A210 PolarHBondContact O-N 3.47Å; D207-A210 VanDerWaalsContact OD2-CB 3.22Å; D207-A210 WeakPolarHBondContact OD2-CB 3.38Å; D207-A210 PolarHBondContact OD2-N 2.98Å; D207-A210 VanDerWaalsContact OD2-N 3.1Å; D207-Q211 WeakPolarHBondContact O-CG 3.46Å; D207-Q211 PolarHBondContact O-N 3.35Å
208	V	95.3	Very high	92.3	Very high	45 Å²	45	52.3 Å²	52.3	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-33.9	-179.4	-176.8	0	0	0	0	111.5	G206 V212 A239 A242	G206-V208 PolarHBondContact O-N 3.43Å; V208-V212 WeakPolarHBondContact O-CG2 3.45Å; V208-V212 PolarHBondContact O-N 2.84Å; V208-V212 VanDerWaalsContact O-N 3.1Å; V208-A239 HydrophobicContact CG1-CB 4.05Å; V208-A242 HydrophobicContact CG1-CB 4.5Å; V208-A242 HydrophobicContact CG2-CB 3.62Å
209	G	93.6	Very high	92.1	Very high	49 Å²	49	46.3 Å²	46.3	51%	0.505	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-50.1	177.1	0	0	0	0	0	111.9	D207 Q211 V212 G213	D207-G209 PolarHBondContact O-N 3.06Å; D207-G209 PolarHBondContact OD1-N 3.13Å; G209-Q211 VanDerWaalsContact C-N 3.35Å; G209-Q211 PolarHBondContact O-N 3.26Å; G209-V212 PolarHBondContact O-N 2.93Å; G209-G213 PolarHBondContact O-N 3.34Å
210	A	93.7	Very high	91.6	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-40.3	174.8	0	0	0	0	0	112.6	Y199 L202 A203 D207 G213 L214	Y199-A210 HydrophobicContact CD1-CB 4.16Å; L202-A210 HydrophobicContact CB-CB 3.89Å; A203-A210 HydrophobicContact CB-CB 4.14Å; D207-A210 HydrophobicContact CB-CB 4.03Å; D207-A210 PolarHBondContact O-N 3.47Å; D207-A210 VanDerWaalsContact OD2-CB 3.22Å; D207-A210 WeakPolarHBondContact OD2-CB 3.38Å; D207-A210 PolarHBondContact OD2-N 2.98Å; D207-A210 VanDerWaalsContact OD2-N 3.1Å; A210-G213 PolarHBondContact O-N 3.48Å; A210-L214 WeakPolarHBondContact O-CB 3.32Å; A210-L214 WeakPolarHBondContact O-CG 3.33Å; A210-L214 PolarHBondContact O-N 3.18Å
211	Q	96.3	Very high	90.8	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-47.9	176.3	-71.1	172.6	-8	0	0	111.8	A203 D207 G209 G215 Y235 A239	A203-Q211 HydrophobicContact CB-CG 3.71Å; A203-Q211 PolarHBondContact O-NE2 3.44Å; D207-Q211 WeakPolarHBondContact O-CG 3.46Å; D207-Q211 PolarHBondContact O-N 3.35Å; G209-Q211 VanDerWaalsContact C-N 3.35Å; G209-Q211 PolarHBondContact O-N 3.26Å; Q211-G215 PolarHBondContact O-N 2.77Å; Q211-Y235 HydrophobicContact CB-CD1 4.47Å; Q211-Y235 HydrophobicContact CG-CD1 4.14Å; Q211-Y235 WeakPolarHBondContact O-CB 3.26Å; Q211-A239 HydrophobicContact CB-CB 3.93Å
212	V	95.1	Very high	89.7	Confident	14 Å²	14	35.6 Å²	35.6	9%	0.085	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-44.2	176.2	174.5	0	0	0	0	111.2	V208 G209 G215 Q216 F236 A239 S244 N246 A247 F250	V208-V212 WeakPolarHBondContact O-CG2 3.45Å; V208-V212 PolarHBondContact O-N 2.84Å; V208-V212 VanDerWaalsContact O-N 3.1Å; G209-V212 PolarHBondContact O-N 2.93Å; V212-G215 PolarHBondContact O-N 3.23Å; V212-Q216 WeakPolarHBondContact O-CB 3.35Å; V212-Q216 PolarHBondContact O-N 3.25Å; V212-F236 HydrophobicContact CG1-CE1 4.48Å; V212-A239 HydrophobicContact CG2-CB 3.79Å; V212-S244 WeakPolarHBondContact CG2-OG 3.28Å; V212-N246 HydrophobicContact CG1-CB 3.86Å; V212-N246 HydrophobicContact CG2-CB 4.39Å; V212-A247 HydrophobicContact CG2-CB 4.02Å; V212-F250 HydrophobicContact CG1-CD2 4.26Å; V212-F250 HydrophobicContact CG1-CE2 4.07Å
213	G	91.4	Very high	88.6	Confident	30 Å²	30	39.1 Å²	39.1	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-46.7	-179.9	0	0	0	0	0	112.8	G209 A210 Q216 L217	G209-G213 PolarHBondContact O-N 3.34Å; A210-G213 PolarHBondContact O-N 3.48Å; G213-Q216 PolarHBondContact O-N 3.24Å; G213-L217 WeakPolarHBondContact O-CG 3.32Å; G213-L217 PolarHBondContact O-N 2.8Å
214	L	91.2	Very high	87.3	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-42.9	174.9	-74.7	176	0	0	0	112	L196 K200 A203 A210 Q216 L217 Y218 Y235	L196-L214 HydrophobicContact CD1-CD2 3.6Å; K200-L214 HydrophobicContact CB-CD1 4.45Å; K200-L214 HydrophobicContact CG-CD1 4.06Å; A203-L214 HydrophobicContact CB-CD1 3.66Å; A210-L214 WeakPolarHBondContact O-CB 3.32Å; A210-L214 WeakPolarHBondContact O-CG 3.33Å; A210-L214 PolarHBondContact O-N 3.18Å; L214-Q216 VanDerWaalsContact C-N 3.26Å; L214-Q216 PolarHBondContact O-N 3.37Å; L214-L217 HydrophobicContact CD2-CD1 4.44Å; L214-L217 PolarHBondContact O-N 2.95Å; L214-L217 VanDerWaalsContact O-N 3.17Å; L214-Y218 HydrophobicContact CB-CD2 4.36Å; L214-Y218 HydrophobicContact CB-CE2 4.34Å; L214-Y218 HydrophobicContact CD2-CE2 4.49Å; L214-Y218 WeakPolarHBondContact O-CB 3.49Å; L214-Y218 WeakPolarHBondContact O-CD2 3.21Å; L214-Y218 PolarHBondContact O-N 3.41Å; L214-Y235 HydrophobicContact CB-CD2 4.24Å; L214-Y235 HydrophobicContact CB-CE2 4.48Å; L214-Y235 HydrophobicContact CD1-CE2 4.34Å
215	G	92.1	Very high	86.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-44.2	175.6	0	0	0	0	0	111.4	Q211 V212 Y218 L219 F236	Q211-G215 PolarHBondContact O-N 2.77Å; V212-G215 PolarHBondContact O-N 3.23Å; G215-Y218 PolarHBondContact O-N 2.85Å; G215-L219 VanDerWaalsContact O-CB 3.25Å; G215-L219 WeakPolarHBondContact O-CB 3.07Å; G215-L219 PolarHBondContact O-N 2.91Å; G215-F236 WeakPolarHBondContact O-CE2 3.39Å; G215-F236 WeakPolarHBondContact O-CZ 3.27Å
216	Q	89.8	Confident	85.4	Confident	90 Å²	90	33.3 Å²	33.3	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-42	176.8	-175.5	-179.1	-4.8	0	0	112.3	V212 G213 L214 L219 T220 F236 F250	V212-Q216 WeakPolarHBondContact O-CB 3.35Å; V212-Q216 PolarHBondContact O-N 3.25Å; G213-Q216 PolarHBondContact O-N 3.24Å; L214-Q216 VanDerWaalsContact C-N 3.26Å; L214-Q216 PolarHBondContact O-N 3.37Å; Q216-L219 PolarHBondContact O-N 3.41Å; Q216-T220 PolarHBondContact O-N 3.49Å; Q216-T220 PolarHBondContact O-OG1 3Å; Q216-F236 HydrophobicContact CB-CZ 4.35Å; Q216-F250 HydrophobicContact CB-CZ 4.3Å; Q216-F250 HydrophobicContact CG-CE1 4.24Å; Q216-F250 HydrophobicContact CG-CZ 4Å
217	L	86.1	Confident	84.8	Confident	17 Å²	17	35.4 Å²	35.4	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-46.8	176.1	-73.5	169.6	0	0	0	111.1	G213 L214 L219 T220 G221 R223 V225	G213-L217 WeakPolarHBondContact O-CG 3.32Å; G213-L217 PolarHBondContact O-N 2.8Å; L214-L217 HydrophobicContact CD2-CD1 4.44Å; L214-L217 PolarHBondContact O-N 2.95Å; L214-L217 VanDerWaalsContact O-N 3.17Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.99Å; L217-T220 PolarHBondContact O-N 3.34Å; L217-G221 WeakPolarHBondContact O-CA 3.39Å; L217-G221 PolarHBondContact O-N 2.62Å; L217-R223 HydrophobicContact CD2-CG 4.47Å; L217-V225 HydrophobicContact CB-CB 4.31Å; L217-V225 HydrophobicContact CB-CG1 4.26Å; L217-V225 HydrophobicContact CB-CG2 4.4Å; L217-V225 HydrophobicContact CD1-CG2 4.4Å; L217-V225 HydrophobicContact CD2-CG2 4.49Å
218	Y	88.2	Confident	84.3	Confident	14 Å²	14	34.3 Å²	34.3	6%	0.055	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-29.8	177.1	-76.1	-53.2	0	0	0	113.9	K200 L214 G215 V225 E226 L227 N228 L231 Y235	K200-Y218 WeakPolarHBondContact CE-OH 3.41Å; K200-Y218 PolarHBondContact NZ-OH 3.05Å; L214-Y218 HydrophobicContact CB-CD2 4.36Å; L214-Y218 HydrophobicContact CB-CE2 4.34Å; L214-Y218 HydrophobicContact CD2-CE2 4.49Å; L214-Y218 WeakPolarHBondContact O-CB 3.49Å; L214-Y218 WeakPolarHBondContact O-CD2 3.21Å; L214-Y218 PolarHBondContact O-N 3.41Å; G215-Y218 PolarHBondContact O-N 2.85Å; Y218-V225 HydrophobicContact CD1-CG1 3.86Å; Y218-V225 HydrophobicContact CE1-CG1 3.7Å; Y218-E226 WeakPolarHBondContact CD1-O 3.29Å; Y218-L227 CarbonylContact O-C 3.6Å; Y218-L227 WeakPolarHBondContact O-CA 2.96Å; Y218-N228 HydrophobicContact CD1-CB 3.74Å; Y218-N228 HydrophobicContact CE1-CB 4.35Å; Y218-N228 HydrophobicContact CG-CB 4.32Å; Y218-N228 PolarHBondContact O-N 2.88Å; Y218-L231 HydrophobicContact CD1-CD1 4.45Å; Y218-L231 HydrophobicContact CD2-CB 3.87Å; Y218-L231 HydrophobicContact CD2-CD1 4.5Å; Y218-L231 HydrophobicContact CE1-CD1 3.99Å; Y218-L231 HydrophobicContact CE2-CB 4.13Å; Y218-L231 HydrophobicContact CE2-CD1 4.03Å; Y218-L231 HydrophobicContact CG-CB 4.12Å; Y218-Y235 HydrophobicContact CD2-CD2 4.16Å; Y218-Y235 HydrophobicContact CD2-CE2 4.25Å; Y218-Y235 HydrophobicContact CE2-CD2 4.25Å; Y218-Y235 AromaticContact CE2-CE2 3.88Å; Y218-Y235 HydrophobicContact CE2-CE2 3.88Å
219	L	86.2	Confident	83.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-74.9	-35.2	177.3	-175.8	67.1	0	0	0	112.6	L167 G215 Q216 L217 L227 Y229 A232 F236 F250 M254	L167-L219 HydrophobicContact CD1-CD1 4.39Å; L167-L219 HydrophobicContact CD2-CD1 3.55Å; L167-L219 HydrophobicContact CD2-CG 4.14Å; L167-L219 HydrophobicContact CG-CD1 3.85Å; L167-L219 HydrophobicContact CG-CD2 4.41Å; L167-L219 HydrophobicContact CG-CG 3.99Å; G215-L219 VanDerWaalsContact O-CB 3.25Å; G215-L219 WeakPolarHBondContact O-CB 3.07Å; G215-L219 PolarHBondContact O-N 2.91Å; Q216-L219 PolarHBondContact O-N 3.41Å; L217-L219 VanDerWaalsContact C-N 3.33Å; L217-L219 PolarHBondContact O-N 2.99Å; L219-L227 WeakPolarHBondContact O-CD2 3.44Å; L219-Y229 HydrophobicContact CD1-CD1 4.16Å; L219-Y229 HydrophobicContact CD1-CE1 4.36Å; L219-A232 HydrophobicContact CB-CB 4.15Å; L219-F236 HydrophobicContact CB-CE2 4.16Å; L219-F236 HydrophobicContact CD2-CE2 4Å; L219-F236 HydrophobicContact CD2-CZ 4.36Å; L219-F250 HydrophobicContact CD2-CD1 4.17Å; L219-M254 HydrophobicContact CD1-CE 4.35Å; L219-M254 HydrophobicContact CD1-CG 3.78Å; L219-M254 HydrophobicContact CD1-SD 4.18Å; L219-M254 HydrophobicContact CD2-CG 4.35Å
220	T	80.6	Confident	83.8	Confident	20 Å²	20	37.8 Å²	37.8	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-106.7	-13.8	-171.3	57.4	0	0	0	0	114.5	T169 Q216 L217 G222	T169-T220 VanDerWaalsContact CG2-O 3.28Å; T169-T220 WeakPolarHBondContact CG2-O 3.49Å; Q216-T220 PolarHBondContact O-N 3.49Å; Q216-T220 PolarHBondContact O-OG1 3Å; L217-T220 PolarHBondContact O-N 3.34Å; T220-G222 VanDerWaalsContact C-N 3.33Å
221	G	75.4	Confident	83.7	Confident	22 Å²	22	40.2 Å²	40.2	23%	0.227	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	26.2	-176.8	0	0	0	0	0	113.8	L217 V225	L217-G221 WeakPolarHBondContact O-CA 3.39Å; L217-G221 PolarHBondContact O-N 2.62Å; G221-V225 CarbonylContact C-O 3.57Å; G221-V225 WeakPolarHBondContact CA-O 3.33Å
222	G	71.4	Confident	83.5	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-76.2	151.7	-171.6	0	0	0	0	0	114.2	S170 T220 G224 V225	S170-G222 WeakPolarHBondContact OG-CA 3.37Å; T220-G222 VanDerWaalsContact C-N 3.33Å; G222-G224 VanDerWaalsContact C-N 3.26Å; G222-G224 PolarHBondContact O-N 3.2Å; G222-V225 WeakPolarHBondContact O-CB 3.22Å; G222-V225 PolarHBondContact O-N 3.3Å
223	R	70.7	Confident	83.4	Confident	114 Å²	114	44 Å²	44	43%	0.43	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	56.5	31.7	174.4	-54.9	-173.3	174.8	86.7	-2	115.1	L190 M191 L217 V225	L190-R223 WeakPolarHBondContact CA-O 3.49Å; M191-R223 HydrophobicContact CB-CB 4.15Å; M191-R223 HydrophobicContact CG-CB 3.55Å; M191-R223 VanDerWaalsContact CG-CD 3.45Å; M191-R223 HydrophobicContact CG-CG 4.16Å; M191-R223 PolarHBondContact N-O 3.32Å; L217-R223 HydrophobicContact CD2-CG 4.47Å; R223-V225 PolarHBondContact O-N 3.4Å
224	G	65.5	Low	83.5	Confident	47 Å²	47	47.3 Å²	47.3	49%	0.485	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	78	4.8	-177.7	0	0	0	0	0	114.3	G222	G222-G224 VanDerWaalsContact C-N 3.26Å; G222-G224 PolarHBondContact O-N 3.2Å
225	V	74.6	Confident	83.8	Confident	9 Å²	9	47.9 Å²	47.9	6%	0.055	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-79.1	131.1	168.6	-176.3	0	0	0	0	108.1	M191 L196 L217 Y218 G221 G222 R223	M191-V225 HydrophobicContact CB-CG2 4.38Å; L196-V225 HydrophobicContact CD1-CG1 4.4Å; L196-V225 HydrophobicContact CD1-CG2 4.01Å; L196-V225 HydrophobicContact CD2-CG2 4.36Å; L217-V225 HydrophobicContact CB-CB 4.31Å; L217-V225 HydrophobicContact CB-CG1 4.26Å; L217-V225 HydrophobicContact CB-CG2 4.4Å; L217-V225 HydrophobicContact CD1-CG2 4.4Å; L217-V225 HydrophobicContact CD2-CG2 4.49Å; Y218-V225 HydrophobicContact CD1-CG1 3.86Å; Y218-V225 HydrophobicContact CE1-CG1 3.7Å; G221-V225 CarbonylContact C-O 3.57Å; G221-V225 WeakPolarHBondContact CA-O 3.33Å; G222-V225 WeakPolarHBondContact O-CB 3.22Å; G222-V225 PolarHBondContact O-N 3.3Å; R223-V225 PolarHBondContact O-N 3.4Å
226	E	70.1	Confident	84	Confident	91 Å²	91	47.9 Å²	47.9	43%	0.425	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-76	155.1	-177.9	-59.6	-176.1	158.4	0	0	113.1	A30 S31 Y218 N228	A30-E226 VanDerWaalsContact CA-OE1 3.25Å; A30-E226 WeakPolarHBondContact CA-OE1 3.37Å; A30-E226 VanDerWaalsContact CB-OE1 3.26Å; A30-E226 WeakPolarHBondContact CB-OE1 3.34Å; S31-E226 WeakPolarHBondContact CA-OE2 3.41Å; S31-E226 PolarHBondContact N-OE2 3.15Å; Y218-E226 WeakPolarHBondContact CD1-O 3.29Å; E226-N228 PolarHBondContact O-N 2.89Å
227	L	78.2	Confident	84.3	Confident	84 Å²	84	48 Å²	48	44%	0.44	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-66.9	123.3	176.9	-72.4	158.6	0	0	0	110.4	T169 Y218 L219 Y229	T169-L227 HydrophobicContact CG2-CD1 4.43Å; Y218-L227 CarbonylContact O-C 3.6Å; Y218-L227 WeakPolarHBondContact O-CA 2.96Å; L219-L227 WeakPolarHBondContact O-CD2 3.44Å; L227-Y229 HydrophobicContact CD2-CE1 4.44Å
228	N	85.4	Confident	84.7	Confident	52 Å²	52	50.3 Å²	50.3	28%	0.278	25%	0.253	S	S	.	.			trans	-143.9	96.3	174.4	-170.4	-40.3	0	0	0	110.3	Y218 E226 D230 L231 A232	Y218-N228 HydrophobicContact CD1-CB 3.74Å; Y218-N228 HydrophobicContact CE1-CB 4.35Å; Y218-N228 HydrophobicContact CG-CB 4.32Å; Y218-N228 PolarHBondContact O-N 2.88Å; E226-N228 PolarHBondContact O-N 2.89Å; N228-D230 VanDerWaalsContact C-N 3.3Å; N228-D230 PolarHBondContact O-N 3.23Å; N228-D230 PolarHBondContact OD1-N 3.48Å; N228-L231 HydrophobicContact CB-CB 4.23Å; N228-L231 HydrophobicContact CB-CD1 4.27Å; N228-L231 HydrophobicContact CB-CG 4.45Å; N228-L231 WeakPolarHBondContact ND2-CD1 3.35Å; N228-L231 PolarHBondContact O-N 3.24Å; N228-L231 PolarHBondContact OD1-N 3.46Å; N228-A232 WeakPolarHBondContact O-CB 3.45Å; N228-A232 PolarHBondContact O-N 3.15Å
229	Y	86.9	Confident	85.1	Confident	64 Å²	64	49.7 Å²	49.7	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-30.4	-176.1	-57.1	-62.2	0	0	0	113.1	L167 L219 L227 R233 T259 P260	L167-Y229 HydrophobicContact CD2-CD1 4.47Å; L167-Y229 HydrophobicContact CD2-CE1 3.7Å; L219-Y229 HydrophobicContact CD1-CD1 4.16Å; L219-Y229 HydrophobicContact CD1-CE1 4.36Å; L227-Y229 HydrophobicContact CD2-CE1 4.44Å; Y229-R233 VanDerWaalsContact O-CB 3.32Å; Y229-R233 WeakPolarHBondContact O-CB 3.48Å; Y229-R233 PolarHBondContact O-N 3.48Å; Y229-T259 HydrophobicContact CD1-CG2 3.77Å; Y229-T259 HydrophobicContact CE1-CG2 4.08Å; Y229-T259 HydrophobicContact CG-CG2 4.31Å; Y229-P260 HydrophobicContact CD2-CG 4.08Å; Y229-P260 HydrophobicContact CE2-CG 4.17Å
230	D	90.5	Very high	85.6	Confident	103 Å²	103	50 Å²	50	55%	0.551	25%	0.253	S	S	*	.	H	α-helix	trans	-65.3	-51.1	177.1	-67.2	-57.4	0	0	0	111	N228 R233 H234 V261	N228-D230 VanDerWaalsContact C-N 3.3Å; N228-D230 PolarHBondContact O-N 3.23Å; N228-D230 PolarHBondContact OD1-N 3.48Å; D230-R233 PolarHBondContact O-N 3.14Å; D230-H234 VanDerWaalsContact O-CB 3.32Å; D230-H234 WeakPolarHBondContact O-CB 3.39Å; D230-H234 PolarHBondContact O-N 3.33Å; D230-V261 VanDerWaalsContact OD1-CG1 3.24Å; D230-V261 WeakPolarHBondContact OD1-CG1 3.47Å; D230-V261 WeakPolarHBondContact OD1-CG2 3.34Å
231	L	91.4	Very high	86.3	Confident	57 Å²	57	54.5 Å²	54.5	30%	0.298	28%	0.276	S	S	.	.	H	α-helix	trans	-65.5	-39.1	176.8	-69.2	178.9	0	0	0	111.6	Y218 N228 H234 Y235	Y218-L231 HydrophobicContact CD1-CD1 4.45Å; Y218-L231 HydrophobicContact CD2-CB 3.87Å; Y218-L231 HydrophobicContact CD2-CD1 4.5Å; Y218-L231 HydrophobicContact CE1-CD1 3.99Å; Y218-L231 HydrophobicContact CE2-CB 4.13Å; Y218-L231 HydrophobicContact CE2-CD1 4.03Å; Y218-L231 HydrophobicContact CG-CB 4.12Å; N228-L231 HydrophobicContact CB-CB 4.23Å; N228-L231 HydrophobicContact CB-CD1 4.27Å; N228-L231 HydrophobicContact CB-CG 4.45Å; N228-L231 WeakPolarHBondContact ND2-CD1 3.35Å; N228-L231 PolarHBondContact O-N 3.24Å; N228-L231 PolarHBondContact OD1-N 3.46Å; L231-H234 PolarHBondContact O-N 3.12Å; L231-Y235 HydrophobicContact CB-CD2 4.43Å; L231-Y235 HydrophobicContact CB-CE2 4.4Å; L231-Y235 HydrophobicContact CD2-CE2 4.49Å; L231-Y235 WeakPolarHBondContact O-CD2 3.33Å; L231-Y235 PolarHBondContact O-N 3.44Å
232	A	92.3	Very high	87.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-51.8	175.2	0	0	0	0	0	111	L219 N228 H234 Y235 F236	L219-A232 HydrophobicContact CB-CB 4.15Å; N228-A232 WeakPolarHBondContact O-CB 3.45Å; N228-A232 PolarHBondContact O-N 3.15Å; A232-H234 VanDerWaalsContact C-N 3.33Å; A232-H234 PolarHBondContact O-N 3.43Å; A232-Y235 PolarHBondContact O-N 3.5Å; A232-F236 HydrophobicContact CB-CD2 4.38Å; A232-F236 HydrophobicContact CB-CE2 4.2Å; A232-F236 WeakPolarHBondContact O-CB 3.45Å; A232-F236 WeakPolarHBondContact O-CD2 3.45Å; A232-F236 VanDerWaalsContact O-CG 3.31Å; A232-F236 WeakPolarHBondContact O-CG 3.4Å; A232-F236 PolarHBondContact O-N 3.2Å
233	R	93.5	Very high	88.1	Confident	105 Å²	105	58 Å²	58	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-46.7	176.7	-176.5	-176.5	177.9	-105.4	-1.7	111.2	Y229 D230 F236 F237 M254 T262	Y229-R233 VanDerWaalsContact O-CB 3.32Å; Y229-R233 WeakPolarHBondContact O-CB 3.48Å; Y229-R233 PolarHBondContact O-N 3.48Å; D230-R233 PolarHBondContact O-N 3.14Å; R233-F236 PolarHBondContact O-N 2.91Å; R233-F237 VanDerWaalsContact O-CB 3.23Å; R233-F237 WeakPolarHBondContact O-CB 3.48Å; R233-F237 PolarHBondContact O-N 2.74Å; R233-M254 HydrophobicContact CB-CE 3.87Å; R233-M254 HydrophobicContact CB-SD 4.49Å; R233-T262 HydrophobicContact CG-CG2 4.11Å
234	H	94.7	Very high	89.3	Confident	98 Å²	98	53.4 Å²	53.4	45%	0.454	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-52.9	-179	176.9	-94.4	0	0	0	111.9	D230 L231 A232 F237 L238	D230-H234 VanDerWaalsContact O-CB 3.32Å; D230-H234 WeakPolarHBondContact O-CB 3.39Å; D230-H234 PolarHBondContact O-N 3.33Å; L231-H234 PolarHBondContact O-N 3.12Å; A232-H234 VanDerWaalsContact C-N 3.33Å; A232-H234 PolarHBondContact O-N 3.43Å; H234-F237 PolarHBondContact O-N 3.01Å; H234-L238 WeakPolarHBondContact CE1-CD1 3.42Å; H234-L238 WeakPolarHBondContact O-CG 3.48Å; H234-L238 PolarHBondContact O-N 3.42Å
235	Y	95.9	Very high	90.8	Very high	15 Å²	15	53.1 Å²	53.1	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-37.4	-179.8	-73	-58	0	0	0	112.9	A203 Q211 L214 Y218 L231 A232 A239	A203-Y235 HydrophobicContact CB-CD1 4.17Å; A203-Y235 HydrophobicContact CB-CE1 3.8Å; Q211-Y235 HydrophobicContact CB-CD1 4.47Å; Q211-Y235 HydrophobicContact CG-CD1 4.14Å; Q211-Y235 WeakPolarHBondContact O-CB 3.26Å; L214-Y235 HydrophobicContact CB-CD2 4.24Å; L214-Y235 HydrophobicContact CB-CE2 4.48Å; L214-Y235 HydrophobicContact CD1-CE2 4.34Å; Y218-Y235 HydrophobicContact CD2-CD2 4.16Å; Y218-Y235 HydrophobicContact CD2-CE2 4.25Å; Y218-Y235 HydrophobicContact CE2-CD2 4.25Å; Y218-Y235 AromaticContact CE2-CE2 3.88Å; Y218-Y235 HydrophobicContact CE2-CE2 3.88Å; L231-Y235 HydrophobicContact CB-CD2 4.43Å; L231-Y235 HydrophobicContact CB-CE2 4.4Å; L231-Y235 HydrophobicContact CD2-CE2 4.49Å; L231-Y235 WeakPolarHBondContact O-CD2 3.33Å; L231-Y235 PolarHBondContact O-N 3.44Å; A232-Y235 PolarHBondContact O-N 3.5Å; Y235-A239 WeakPolarHBondContact O-CB 3.47Å; Y235-A239 PolarHBondContact O-N 2.93Å
236	F	96.4	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-36.5	174.1	-69.1	-46.9	0	0	0	112.6	V212 G215 Q216 L219 A232 R233 A239 A240 A247 F250 L251 M254	V212-F236 HydrophobicContact CG1-CE1 4.48Å; G215-F236 WeakPolarHBondContact O-CE2 3.39Å; G215-F236 WeakPolarHBondContact O-CZ 3.27Å; Q216-F236 HydrophobicContact CB-CZ 4.35Å; L219-F236 HydrophobicContact CB-CE2 4.16Å; L219-F236 HydrophobicContact CD2-CE2 4Å; L219-F236 HydrophobicContact CD2-CZ 4.36Å; A232-F236 HydrophobicContact CB-CD2 4.38Å; A232-F236 HydrophobicContact CB-CE2 4.2Å; A232-F236 WeakPolarHBondContact O-CB 3.45Å; A232-F236 WeakPolarHBondContact O-CD2 3.45Å; A232-F236 VanDerWaalsContact O-CG 3.31Å; A232-F236 WeakPolarHBondContact O-CG 3.4Å; A232-F236 PolarHBondContact O-N 3.2Å; R233-F236 PolarHBondContact O-N 2.91Å; F236-A239 PolarHBondContact O-N 2.96Å; F236-A240 WeakPolarHBondContact O-CB 3.34Å; F236-A240 PolarHBondContact O-N 3.39Å; F236-A247 HydrophobicContact CD1-CB 4.36Å; F236-A247 WeakPolarHBondContact O-CB 3.37Å; F236-F250 HydrophobicContact CD1-CB 3.87Å; F236-F250 HydrophobicContact CD1-CD2 4.28Å; F236-F250 HydrophobicContact CD1-CG 4.39Å; F236-F250 HydrophobicContact CD2-CB 4.04Å; F236-F250 HydrophobicContact CE1-CB 3.55Å; F236-F250 AromaticContact CE1-CD2 3.49Å; F236-F250 HydrophobicContact CE1-CD2 3.49Å; F236-F250 VanDerWaalsContact CE1-CD2 3.49Å; F236-F250 HydrophobicContact CE1-CE2 4.31Å; F236-F250 AromaticContact CE1-CG 3.63Å; F236-F250 HydrophobicContact CE1-CG 3.63Å; F236-F250 HydrophobicContact CE2-CB 3.74Å; F236-F250 HydrophobicContact CE2-CG 4.28Å; F236-F250 HydrophobicContact CG-CB 4.1Å; F236-F250 HydrophobicContact CZ-CB 3.45Å; F236-F250 VanDerWaalsContact CZ-CB 3.45Å; F236-F250 HydrophobicContact CZ-CD1 4.06Å; F236-F250 AromaticContact CZ-CD2 3.84Å; F236-F250 HydrophobicContact CZ-CD2 3.84Å; F236-F250 AromaticContact CZ-CG 3.54Å; F236-F250 HydrophobicContact CZ-CG 3.54Å; F236-L251 HydrophobicContact CB-CD2 3.85Å; F236-L251 HydrophobicContact CB-CG 3.86Å; F236-M254 HydrophobicContact CD2-SD 3.75Å; F236-M254 HydrophobicContact CE2-SD 4.15Å
237	F	95.7	Very high	92.9	Very high	91 Å²	91	51.4 Å²	51.4	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-49.9	175.7	-172.8	-94.5	0	0	0	111.1	R233 H234 A239 A240 D241	R233-F237 VanDerWaalsContact O-CB 3.23Å; R233-F237 WeakPolarHBondContact O-CB 3.48Å; R233-F237 PolarHBondContact O-N 2.74Å; H234-F237 PolarHBondContact O-N 3.01Å; F237-A239 VanDerWaalsContact C-N 3.33Å; F237-A239 PolarHBondContact O-N 2.74Å; F237-A240 PolarHBondContact O-N 3.23Å; F237-A240 VanDerWaalsContact O-N 3.16Å; F237-D241 WeakPolarHBondContact CE1-OD2 3.28Å; F237-D241 WeakPolarHBondContact CZ-OD2 3.46Å; F237-D241 PolarHBondContact O-N 3.29Å
238	L	95.9	Very high	93.8	Very high	67 Å²	67	47.6 Å²	47.6	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-56.3	-45.9	175.3	-71.4	176.4	0	0	0	112.3	H234 D241 A242	H234-L238 WeakPolarHBondContact CE1-CD1 3.42Å; H234-L238 WeakPolarHBondContact O-CG 3.48Å; H234-L238 PolarHBondContact O-N 3.42Å; L238-D241 PolarHBondContact O-N 3.49Å; L238-A242 PolarHBondContact O-N 3.34Å; L238-A242 VanDerWaalsContact O-N 3.09Å
239	A	96.8	Very high	94.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-35.6	179.1	0	0	0	0	0	112.4	V208 Q211 V212 Y235 F236 F237 A242 G243 S244 A247	V208-A239 HydrophobicContact CG1-CB 4.05Å; Q211-A239 HydrophobicContact CB-CB 3.93Å; V212-A239 HydrophobicContact CG2-CB 3.79Å; Y235-A239 WeakPolarHBondContact O-CB 3.47Å; Y235-A239 PolarHBondContact O-N 2.93Å; F236-A239 PolarHBondContact O-N 2.96Å; F237-A239 VanDerWaalsContact C-N 3.33Å; F237-A239 PolarHBondContact O-N 2.74Å; A239-A242 PolarHBondContact O-N 2.86Å; A239-G243 PolarHBondContact O-N 3.24Å; A239-S244 WeakPolarHBondContact O-CA 3.33Å; A239-S244 WeakPolarHBondContact O-CB 3.48Å; A239-S244 PolarHBondContact O-N 3.45Å; A239-A247 HydrophobicContact CB-CB 3.53Å
240	A	96	Very high	94.5	Very high	8 Å²	8	42.8 Å²	42.8	7%	0.066	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-38.9	177.9	0	0	0	0	0	111.9	F236 F237 A242 G243 A247 M248 L251	F236-A240 WeakPolarHBondContact O-CB 3.34Å; F236-A240 PolarHBondContact O-N 3.39Å; F237-A240 PolarHBondContact O-N 3.23Å; F237-A240 VanDerWaalsContact O-N 3.16Å; A240-A242 VanDerWaalsContact C-N 3.31Å; A240-G243 WeakPolarHBondContact O-CA 3.43Å; A240-G243 PolarHBondContact O-N 2.94Å; A240-A247 HydrophobicContact CB-CB 3.97Å; A240-M248 HydrophobicContact CB-CG 3.94Å; A240-M248 WeakPolarHBondContact O-CE 3.26Å; A240-L251 HydrophobicContact CB-CD1 3.67Å
241	D	94.2	Very high	94.7	Very high	115 Å²	115	38 Å²	38	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-64.6	-36.5	173.6	-80.1	-5.7	0	0	0	111.6	F237 L238 G243	F237-D241 WeakPolarHBondContact CE1-OD2 3.28Å; F237-D241 WeakPolarHBondContact CZ-OD2 3.46Å; F237-D241 PolarHBondContact O-N 3.29Å; L238-D241 PolarHBondContact O-N 3.49Å; D241-G243 PolarHBondContact O-N 2.9Å; D241-G243 VanDerWaalsContact O-N 3.14Å
242	A	93.4	Very high	94.7	Very high	66 Å²	66	35.2 Å²	35.2	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.8	169	0	0	0	0	0	113.7	V208 L238 A239 A240	V208-A242 HydrophobicContact CG1-CB 4.5Å; V208-A242 HydrophobicContact CG2-CB 3.62Å; L238-A242 PolarHBondContact O-N 3.34Å; L238-A242 VanDerWaalsContact O-N 3.09Å; A239-A242 PolarHBondContact O-N 2.86Å; A240-A242 VanDerWaalsContact C-N 3.31Å
243	G	92.6	Very high	94.6	Very high	31 Å²	31	36 Å²	36	32%	0.32	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	7	174.5	0	0	0	0	0	115.5	A239 A240 D241 T245 K279	A239-G243 PolarHBondContact O-N 3.24Å; A240-G243 WeakPolarHBondContact O-CA 3.43Å; A240-G243 PolarHBondContact O-N 2.94Å; D241-G243 PolarHBondContact O-N 2.9Å; D241-G243 VanDerWaalsContact O-N 3.14Å; G243-T245 PolarHBondContact O-N 3.25Å; G243-K279 PolarHBondContact O-NZ 3.22Å
244	S	95.7	Very high	94.5	Very high	19 Å²	19	31 Å²	31	13%	0.133	18%	0.176	C	C	.	.			trans	-61.5	118.6	179	-175	0	0	0	0	111.9	V212 A239 N246 A247 M248	V212-S244 WeakPolarHBondContact CG2-OG 3.28Å; A239-S244 WeakPolarHBondContact O-CA 3.33Å; A239-S244 WeakPolarHBondContact O-CB 3.48Å; A239-S244 PolarHBondContact O-N 3.45Å; S244-N246 VanDerWaalsContact C-N 3.31Å; S244-N246 PolarHBondContact O-N 3.37Å; S244-A247 PolarHBondContact O-N 2.96Å; S244-A247 PolarHBondContact OG-N 3.11Å; S244-M248 WeakPolarHBondContact O-CG 3.33Å; S244-M248 PolarHBondContact O-N 3.45Å
245	T	95.7	Very high	94.4	Very high	40 Å²	40	28.3 Å²	28.3	25%	0.245	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-35.3	177.5	54.9	0	0	0	0	112.2	G243 M248 G249 S276 K279 N281	G243-T245 PolarHBondContact O-N 3.25Å; T245-M248 PolarHBondContact O-N 2.79Å; T245-G249 PolarHBondContact O-N 3.14Å; T245-S276 PolarHBondContact O-OG 3.33Å; T245-K279 HydrophobicContact CG2-CB 3.54Å; T245-K279 HydrophobicContact CG2-CD 3.4Å; T245-K279 HydrophobicContact CG2-CG 4.13Å; T245-N281 PolarHBondContact O-ND2 3.13Å
246	N	94	Very high	94.2	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.342	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-45.9	177.4	-70.9	-18.9	0	0	0	111	V212 S244 M248 G249 F250 N281 I283	V212-N246 HydrophobicContact CG1-CB 3.86Å; V212-N246 HydrophobicContact CG2-CB 4.39Å; S244-N246 VanDerWaalsContact C-N 3.31Å; S244-N246 PolarHBondContact O-N 3.37Å; N246-M248 PolarHBondContact O-N 3.43Å; N246-G249 PolarHBondContact O-N 3.18Å; N246-G249 VanDerWaalsContact O-N 3.12Å; N246-F250 WeakPolarHBondContact O-CD2 3.13Å; N246-F250 PolarHBondContact O-N 2.87Å; N246-N281 VanDerWaalsContact CA-ND2 3.31Å; N246-N281 WeakPolarHBondContact CA-ND2 3.36Å; N246-N281 PolarHBondContact N-ND2 3.44Å; N246-N281 PolarHBondContact OD1-ND2 3.32Å; N246-N281 PolarHBondContact OD1-OD1 3.48Å; N246-I283 HydrophobicContact CB-CD1 4.47Å
247	A	95.8	Very high	93.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-42.9	178.3	0	0	0	0	0	112.2	V212 F236 A239 A240 S244 G249 F250 L251	V212-A247 HydrophobicContact CG2-CB 4.02Å; F236-A247 HydrophobicContact CD1-CB 4.36Å; F236-A247 WeakPolarHBondContact O-CB 3.37Å; A239-A247 HydrophobicContact CB-CB 3.53Å; A240-A247 HydrophobicContact CB-CB 3.97Å; S244-A247 PolarHBondContact O-N 2.96Å; S244-A247 PolarHBondContact OG-N 3.11Å; A247-G249 VanDerWaalsContact C-N 3.29Å; A247-G249 PolarHBondContact O-N 3.32Å; A247-F250 PolarHBondContact O-N 3.44Å; A247-L251 WeakPolarHBondContact O-CG 3.49Å; A247-L251 PolarHBondContact O-N 3.03Å
248	M	96.3	Very high	93	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.02	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-42	173.1	-65.4	172.4	-169.9	0	0	111.7	A240 S244 T245 N246 L251 G252 Y272 R275	A240-M248 HydrophobicContact CB-CG 3.94Å; A240-M248 WeakPolarHBondContact O-CE 3.26Å; S244-M248 WeakPolarHBondContact O-CG 3.33Å; S244-M248 PolarHBondContact O-N 3.45Å; T245-M248 PolarHBondContact O-N 2.79Å; N246-M248 PolarHBondContact O-N 3.43Å; M248-L251 PolarHBondContact O-N 3.33Å; M248-G252 PolarHBondContact O-N 3.07Å; M248-Y272 HydrophobicContact CB-CD1 4.38Å; M248-Y272 WeakPolarHBondContact O-CB 3.26Å; M248-R275 HydrophobicContact SD-CB 4.31Å
249	G	94.1	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-42.5	176.4	0	0	0	0	0	112.9	T245 N246 A247 G252 K253 F273	T245-G249 PolarHBondContact O-N 3.14Å; N246-G249 PolarHBondContact O-N 3.18Å; N246-G249 VanDerWaalsContact O-N 3.12Å; A247-G249 VanDerWaalsContact C-N 3.29Å; A247-G249 PolarHBondContact O-N 3.32Å; G249-G252 PolarHBondContact O-N 2.8Å; G249-K253 PolarHBondContact O-N 2Å; G249-F273 VanDerWaalsContact O-CE1 3.23Å; G249-F273 WeakPolarHBondContact O-CE1 3.44Å
250	F	93.5	Very high	91.6	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-37.1	176.4	-75.4	-65.1	0	0	0	113.1	V212 Q216 L219 F236 N246 A247 G252 K253 M254 I283	V212-F250 HydrophobicContact CG1-CD2 4.26Å; V212-F250 HydrophobicContact CG1-CE2 4.07Å; Q216-F250 HydrophobicContact CB-CZ 4.3Å; Q216-F250 HydrophobicContact CG-CE1 4.24Å; Q216-F250 HydrophobicContact CG-CZ 4Å; L219-F250 HydrophobicContact CD2-CD1 4.17Å; F236-F250 HydrophobicContact CD1-CB 3.87Å; F236-F250 HydrophobicContact CD1-CD2 4.28Å; F236-F250 HydrophobicContact CD1-CG 4.39Å; F236-F250 HydrophobicContact CD2-CB 4.04Å; F236-F250 HydrophobicContact CE1-CB 3.55Å; F236-F250 AromaticContact CE1-CD2 3.49Å; F236-F250 HydrophobicContact CE1-CD2 3.49Å; F236-F250 VanDerWaalsContact CE1-CD2 3.49Å; F236-F250 HydrophobicContact CE1-CE2 4.31Å; F236-F250 AromaticContact CE1-CG 3.63Å; F236-F250 HydrophobicContact CE1-CG 3.63Å; F236-F250 HydrophobicContact CE2-CB 3.74Å; F236-F250 HydrophobicContact CE2-CG 4.28Å; F236-F250 HydrophobicContact CG-CB 4.1Å; F236-F250 HydrophobicContact CZ-CB 3.45Å; F236-F250 VanDerWaalsContact CZ-CB 3.45Å; F236-F250 HydrophobicContact CZ-CD1 4.06Å; F236-F250 AromaticContact CZ-CD2 3.84Å; F236-F250 HydrophobicContact CZ-CD2 3.84Å; F236-F250 AromaticContact CZ-CG 3.54Å; F236-F250 HydrophobicContact CZ-CG 3.54Å; N246-F250 WeakPolarHBondContact O-CD2 3.13Å; N246-F250 PolarHBondContact O-N 2.87Å; A247-F250 PolarHBondContact O-N 3.44Å; F250-G252 VanDerWaalsContact C-N 3.31Å; F250-G252 PolarHBondContact O-N 2.62Å; F250-K253 HydrophobicContact CD1-CD 4.19Å; F250-K253 WeakPolarHBondContact O-CB 3.39Å; F250-K253 PolarHBondContact O-N 3.38Å; F250-M254 WeakPolarHBondContact O-CG 3.39Å; F250-M254 PolarHBondContact O-N 3.18Å; F250-I283 HydrophobicContact CD2-CD1 4.1Å; F250-I283 HydrophobicContact CE1-CD1 4.32Å; F250-I283 HydrophobicContact CE2-CD1 3.56Å; F250-I283 HydrophobicContact CZ-CD1 3.69Å
251	L	94	Very high	91	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-43.4	170.4	-74.1	170.8	0	0	0	111.1	F236 A240 A247 M248 K253 M254 Y255 Y272	F236-L251 HydrophobicContact CB-CD2 3.85Å; F236-L251 HydrophobicContact CB-CG 3.86Å; A240-L251 HydrophobicContact CB-CD1 3.67Å; A247-L251 WeakPolarHBondContact O-CG 3.49Å; A247-L251 PolarHBondContact O-N 3.03Å; M248-L251 PolarHBondContact O-N 3.33Å; L251-K253 VanDerWaalsContact C-N 3.28Å; L251-K253 PolarHBondContact O-N 2.79Å; L251-M254 PolarHBondContact O-N 3.47Å; L251-M254 VanDerWaalsContact O-N 3.14Å; L251-Y255 VanDerWaalsContact O-CD2 3.22Å; L251-Y255 WeakPolarHBondContact O-CD2 3.07Å; L251-Y255 PolarHBondContact O-N 3.34Å; L251-Y272 HydrophobicContact CB-CD1 4.21Å; L251-Y272 HydrophobicContact CB-CD2 4.42Å; L251-Y272 HydrophobicContact CB-CE1 4.36Å; L251-Y272 HydrophobicContact CB-CG 4.25Å; L251-Y272 HydrophobicContact CD1-CD1 4.36Å; L251-Y272 HydrophobicContact CD1-CE1 3.85Å
252	G	93.1	Very high	90.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.3	-44	173.4	0	0	0	0	0	112.2	M248 G249 F250 Y255 L256 A269 F273	M248-G252 PolarHBondContact O-N 3.07Å; G249-G252 PolarHBondContact O-N 2.8Å; F250-G252 VanDerWaalsContact C-N 3.31Å; F250-G252 PolarHBondContact O-N 2.62Å; G252-Y255 PolarHBondContact O-N 3.22Å; G252-L256 WeakPolarHBondContact O-CB 3.47Å; G252-L256 PolarHBondContact O-N 2.9Å; G252-A269 WeakPolarHBondContact O-CB 3.28Å; G252-F273 WeakPolarHBondContact O-CE2 3.31Å
253	K	90.5	Very high	90.4	Very high	16 Å²	16	27.9 Å²	27.9	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.7	-72.6	-178.2	169.4	-174.8	0	113	G249 F250 L251 Y255 L256 D257 F273 I283 D319	G249-K253 PolarHBondContact O-N 2Å; F250-K253 HydrophobicContact CD1-CD 4.19Å; F250-K253 WeakPolarHBondContact O-CB 3.39Å; F250-K253 PolarHBondContact O-N 3.38Å; L251-K253 VanDerWaalsContact C-N 3.28Å; L251-K253 PolarHBondContact O-N 2.79Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 3.23Å; K253-L256 PolarHBondContact O-N 3.32Å; K253-D257 PolarHBondContact O-N 3.45Å; K253-F273 HydrophobicContact CB-CZ 4.33Å; K253-F273 HydrophobicContact CG-CE1 3.89Å; K253-F273 HydrophobicContact CG-CZ 3.79Å; K253-I283 HydrophobicContact CD-CG2 4.35Å; K253-D319 WeakPolarHBondContact CE-OD2 3.37Å; K253-D319 IonicContact NZ-OD2 3.39Å; K253-D319 PolarHBondContact NZ-OD2 2.84Å
254	M	90.4	Very high	90.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-37.8	178.7	-71.3	-175.6	72.8	0	0	112.5	L219 R233 F236 F250 L251 G258 T259 T262	L219-M254 HydrophobicContact CD1-CE 4.35Å; L219-M254 HydrophobicContact CD1-CG 3.78Å; L219-M254 HydrophobicContact CD1-SD 4.18Å; L219-M254 HydrophobicContact CD2-CG 4.35Å; R233-M254 HydrophobicContact CB-CE 3.87Å; R233-M254 HydrophobicContact CB-SD 4.49Å; F236-M254 HydrophobicContact CD2-SD 3.75Å; F236-M254 HydrophobicContact CE2-SD 4.15Å; F250-M254 WeakPolarHBondContact O-CG 3.39Å; F250-M254 PolarHBondContact O-N 3.18Å; L251-M254 PolarHBondContact O-N 3.47Å; L251-M254 VanDerWaalsContact O-N 3.14Å; M254-G258 WeakPolarHBondContact O-CA 3.3Å; M254-G258 PolarHBondContact O-N 3.49Å; M254-G258 VanDerWaalsContact O-N 3.16Å; M254-T259 HydrophobicContact CE-CG2 4.28Å; M254-T262 HydrophobicContact CE-CG2 4.04Å; M254-T262 PolarHBondContact O-OG1 2.93Å
255	Y	92.8	Very high	90.1	Very high	41 Å²	41	31.7 Å²	31.7	16%	0.161	20%	0.196	C	C	.	.	H	α-helix	trans	-77.9	-26.3	174.8	-75.1	-68.2	0	0	0	113.3	L251 G252 K253 T262 A264 D265 Y272	L251-Y255 VanDerWaalsContact O-CD2 3.22Å; L251-Y255 WeakPolarHBondContact O-CD2 3.07Å; L251-Y255 PolarHBondContact O-N 3.34Å; G252-Y255 PolarHBondContact O-N 3.22Å; K253-Y255 VanDerWaalsContact C-N 3.3Å; K253-Y255 PolarHBondContact O-N 3.23Å; Y255-T262 HydrophobicContact CE1-CG2 4.4Å; Y255-A264 CarbonylContact O-C 3.6Å; Y255-A264 WeakPolarHBondContact O-CA 3.49Å; Y255-D265 PolarHBondContact O-N 3.04Å; Y255-Y272 AromaticContact CD2-CD2 3.94Å; Y255-Y272 HydrophobicContact CD2-CD2 3.94Å; Y255-Y272 AromaticContact CD2-CE2 3.95Å; Y255-Y272 HydrophobicContact CD2-CE2 3.95Å; Y255-Y272 HydrophobicContact CE2-CD2 4.09Å; Y255-Y272 AromaticContact CE2-CE2 3.61Å; Y255-Y272 HydrophobicContact CE2-CE2 3.61Å
256	L	90.6	Very high	90	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-75.8	-50.9	177.5	-174.1	142.8	0	0	0	111.8	F165 G252 K253 A269 F273 Y290 M291 L296	F165-L256 HydrophobicContact CD1-CD2 3.66Å; F165-L256 HydrophobicContact CE1-CD2 4.05Å; G252-L256 WeakPolarHBondContact O-CB 3.47Å; G252-L256 PolarHBondContact O-N 2.9Å; K253-L256 PolarHBondContact O-N 3.32Å; L256-A269 HydrophobicContact CB-CB 3.96Å; L256-F273 HydrophobicContact CB-CE2 4.08Å; L256-F273 HydrophobicContact CD1-CE2 3.76Å; L256-Y290 HydrophobicContact CD1-CD1 4.21Å; L256-Y290 HydrophobicContact CD2-CD1 4.32Å; L256-Y290 HydrophobicContact CD2-CE1 4.05Å; L256-M291 HydrophobicContact CD1-CG 3.63Å; L256-M291 HydrophobicContact CD1-SD 4.14Å; L256-L296 HydrophobicContact CD1-CD1 4.16Å; L256-L296 HydrophobicContact CD2-CD1 4.41Å; L256-L296 HydrophobicContact CG-CD1 4.33Å
257	D	84	Confident	90	Very high	39 Å²	39	34.6 Å²	34.6	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-75.2	-31.3	-178.3	-78.9	11.6	0	0	0	111.9	S164 G166 L167 K253	S164-D257 PolarHBondContact OG-OD2 2.88Å; G166-D257 VanDerWaalsContact CA-OD2 3.31Å; G166-D257 WeakPolarHBondContact CA-OD2 3.33Å; G166-D257 PolarHBondContact N-OD2 3.14Å; L167-D257 HydrophobicContact CD1-CB 3.67Å; L167-D257 WeakPolarHBondContact CD1-OD2 3.48Å; L167-D257 PolarHBondContact N-OD2 3.43Å; K253-D257 PolarHBondContact O-N 3.45Å
258	G	84.3	Confident	89.9	Confident	27 Å²	27	36.2 Å²	36.2	28%	0.278	22%	0.22	S	C	.	.			trans	77.6	127.4	-170.8	0	0	0	0	0	112.3	M254 T262	M254-G258 WeakPolarHBondContact O-CA 3.3Å; M254-G258 PolarHBondContact O-N 3.49Å; M254-G258 VanDerWaalsContact O-N 3.16Å; G258-T262 CarbonylContact C-O 3.14Å; G258-T262 WeakPolarHBondContact CA-O 3.4Å
259	T	81.4	Confident	89.8	Confident	13 Å²	13	36 Å²	36	8%	0.08	22%	0.219	C	C	.	.			trans	-120.5	164.7	169.8	74.7	0	0	0	0	109.2	L167 Y229 M254 V261 T262	L167-T259 HydrophobicContact CD2-CG2 3.96Å; Y229-T259 HydrophobicContact CD1-CG2 3.77Å; Y229-T259 HydrophobicContact CE1-CG2 4.08Å; Y229-T259 HydrophobicContact CG-CG2 4.31Å; M254-T259 HydrophobicContact CE-CG2 4.28Å; T259-V261 PolarHBondContact O-N 3.09Å; T259-V261 PolarHBondContact OG1-N 3.12Å; T259-T262 PolarHBondContact N-O 3.02Å; T259-T262 CarbonylContact O-C 3.56Å; T259-T262 VanDerWaalsContact O-C 3.22Å; T259-T262 PolarHBondContact O-N 3.31Å; T259-T262 VanDerWaalsContact O-N 3.14Å; T259-T262 VanDerWaalsContact O-O 3.05Å; T259-T262 PolarHBondContact OG1-N 3.38Å; T259-T262 PolarHBondContact OG1-OG1 3.29Å
260	P	80.4	Confident	89.9	Confident	118 Å²	118	38.2 Å²	38.2	77%	0.766	23%	0.228	S	C	*	.	S	Bend	trans	-53.1	-26.4	175.5	-27.2	35.2	0	0	0	114.1	Y229	Y229-P260 HydrophobicContact CD2-CG 4.08Å; Y229-P260 HydrophobicContact CE2-CG 4.17Å
261	V	84.3	Confident	90	Very high	44 Å²	44	43.2 Å²	43.2	27%	0.267	25%	0.252	S	S	.	.	S	Bend	trans	-95.3	-32.7	-178.2	-176.4	0	0	0	0	111.8	D230 T259	D230-V261 VanDerWaalsContact OD1-CG1 3.24Å; D230-V261 WeakPolarHBondContact OD1-CG1 3.47Å; D230-V261 WeakPolarHBondContact OD1-CG2 3.34Å; T259-V261 PolarHBondContact O-N 3.09Å; T259-V261 PolarHBondContact OG1-N 3.12Å
262	T	86.2	Confident	90.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.259	C	S	.	.	S	Bend	trans	-119.4	92.7	179.6	56.1	0	0	0	0	109.7	R233 M254 Y255 G258 T259	R233-T262 HydrophobicContact CG-CG2 4.11Å; M254-T262 HydrophobicContact CE-CG2 4.04Å; M254-T262 PolarHBondContact O-OG1 2.93Å; Y255-T262 HydrophobicContact CE1-CG2 4.4Å; G258-T262 CarbonylContact C-O 3.14Å; G258-T262 WeakPolarHBondContact CA-O 3.4Å; T259-T262 PolarHBondContact N-O 3.02Å; T259-T262 CarbonylContact O-C 3.56Å; T259-T262 VanDerWaalsContact O-C 3.22Å; T259-T262 PolarHBondContact O-N 3.31Å; T259-T262 VanDerWaalsContact O-N 3.14Å; T259-T262 VanDerWaalsContact O-O 3.05Å; T259-T262 PolarHBondContact OG1-N 3.38Å; T259-T262 PolarHBondContact OG1-OG1 3.29Å
263	P	89.1	Confident	90.2	Very high	97 Å²	97	45.2 Å²	45.2	63%	0.63	26%	0.259	S	S	*	.			trans	-58.4	148.4	177.7	24.5	-32.9	0	0	0	110.6	D265	P263-D265 PolarHBondContact O-N 3.4Å
264	A	89.3	Confident	90.5	Very high	67 Å²	67	49.1 Å²	49.1	55%	0.554	28%	0.276	S	S	*	.			trans	-62.1	124.6	-177.5	0	0	0	0	0	110.7	Y255	Y255-A264 CarbonylContact O-C 3.6Å; Y255-A264 WeakPolarHBondContact O-CA 3.49Å
265	D	93.4	Very high	90.8	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	30%	0.301	S	S	.	.			trans	-144.5	104.8	175.9	173.8	18.1	0	0	0	110	Y255 P263 L267 T268 A269	Y255-D265 PolarHBondContact O-N 3.04Å; P263-D265 PolarHBondContact O-N 3.4Å; D265-L267 VanDerWaalsContact C-N 3.27Å; D265-L267 PolarHBondContact O-N 3.4Å; D265-L267 PolarHBondContact OD1-N 2.9Å; D265-L267 VanDerWaalsContact OD1-N 3.09Å; D265-T268 VanDerWaalsContact CB-OG1 3.29Å; D265-T268 WeakPolarHBondContact CB-OG1 3.47Å; D265-T268 PolarHBondContact O-N 2.73Å; D265-T268 PolarHBondContact O-OG1 3.13Å; D265-T268 VanDerWaalsContact O-OG1 3.08Å; D265-T268 WeakPolarHBondContact OD2-CB 3.37Å; D265-T268 WeakPolarHBondContact OD2-CG2 3.47Å; D265-T268 PolarHBondContact OD2-OG1 2.96Å; D265-A269 WeakPolarHBondContact O-CB 3.27Å; D265-A269 PolarHBondContact O-N 3.15Å
266	N	92.8	Very high	90.9	Very high	55 Å²	55	53.8 Å²	53.8	29%	0.294	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-31.9	-176.2	-65	-23.4	0	0	0	112.3	F270 M291	N266-F270 WeakPolarHBondContact O-CB 3.23Å; N266-F270 PolarHBondContact O-N 3.21Å; N266-M291 VanDerWaalsContact O-CE 3.29Å; N266-M291 WeakPolarHBondContact O-CE 3.36Å
267	L	93.7	Very high	91.2	Very high	111 Å²	111	53.6 Å²	53.6	58%	0.581	29%	0.294	S	S	*	.	H	α-helix	trans	-73.2	-43.7	-176.7	-69.1	175.6	0	0	0	111.4	D265 F270 Q271	D265-L267 VanDerWaalsContact C-N 3.27Å; D265-L267 PolarHBondContact O-N 3.4Å; D265-L267 PolarHBondContact OD1-N 2.9Å; D265-L267 VanDerWaalsContact OD1-N 3.09Å; L267-F270 WeakPolarHBondContact O-CB 3.1Å; L267-F270 PolarHBondContact O-N 3.01Å; L267-Q271 WeakPolarHBondContact O-CG 3.33Å; L267-Q271 PolarHBondContact O-N 3.43Å; L267-Q271 VanDerWaalsContact O-N 3.12Å
268	T	94.2	Very high	91.7	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-39.9	174	48.4	0	0	0	0	111.3	D265 F270 Q271 Y272	D265-T268 VanDerWaalsContact CB-OG1 3.29Å; D265-T268 WeakPolarHBondContact CB-OG1 3.47Å; D265-T268 PolarHBondContact O-N 2.73Å; D265-T268 PolarHBondContact O-OG1 3.13Å; D265-T268 VanDerWaalsContact O-OG1 3.08Å; D265-T268 WeakPolarHBondContact OD2-CB 3.37Å; D265-T268 WeakPolarHBondContact OD2-CG2 3.47Å; D265-T268 PolarHBondContact OD2-OG1 2.96Å; T268-F270 VanDerWaalsContact C-N 3.32Å; T268-F270 PolarHBondContact O-N 2.93Å; T268-Q271 PolarHBondContact O-N 3Å; T268-Y272 VanDerWaalsContact O-CD2 3.28Å; T268-Y272 WeakPolarHBondContact O-CD2 3.44Å; T268-Y272 PolarHBondContact O-N 3.26Å
269	A	94.4	Very high	92.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.1	-47.9	172.5	0	0	0	0	0	111.6	G252 L256 D265 Q271 Y272 F273	G252-A269 WeakPolarHBondContact O-CB 3.28Å; L256-A269 HydrophobicContact CB-CB 3.96Å; D265-A269 WeakPolarHBondContact O-CB 3.27Å; D265-A269 PolarHBondContact O-N 3.15Å; A269-Q271 PolarHBondContact O-N 2.91Å; A269-Y272 PolarHBondContact O-N 2.58Å; A269-F273 HydrophobicContact CB-CD2 4.31Å; A269-F273 HydrophobicContact CB-CE2 4.17Å; A269-F273 WeakPolarHBondContact O-CB 3.47Å; A269-F273 WeakPolarHBondContact O-CD2 3.39Å; A269-F273 WeakPolarHBondContact O-CG 3.46Å; A269-F273 PolarHBondContact O-N 3.39Å
270	F	95.7	Very high	92.7	Very high	45 Å²	45	63 Å²	63	20%	0.197	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-46.5	177	-180	-102.4	0	0	0	112.1	N266 L267 T268 Y272 F273 K274 L288 M291 V298	N266-F270 WeakPolarHBondContact O-CB 3.23Å; N266-F270 PolarHBondContact O-N 3.21Å; L267-F270 WeakPolarHBondContact O-CB 3.1Å; L267-F270 PolarHBondContact O-N 3.01Å; T268-F270 VanDerWaalsContact C-N 3.32Å; T268-F270 PolarHBondContact O-N 2.93Å; F270-Y272 PolarHBondContact O-N 2.88Å; F270-F273 PolarHBondContact O-N 3.22Å; F270-K274 HydrophobicContact CE1-CD 3.98Å; F270-K274 HydrophobicContact CZ-CD 4.14Å; F270-K274 WeakPolarHBondContact O-CB 3.44Å; F270-K274 PolarHBondContact O-N 3.22Å; F270-L288 HydrophobicContact CD2-CD2 3.72Å; F270-L288 HydrophobicContact CE2-CD2 3.7Å; F270-M291 HydrophobicContact CB-CE 3.6Å; F270-M291 HydrophobicContact CB-SD 4.18Å; F270-M291 HydrophobicContact CD2-CE 4.22Å; F270-M291 HydrophobicContact CD2-SD 4.29Å; F270-M291 HydrophobicContact CG-CE 4.42Å; F270-V298 HydrophobicContact CD2-CG2 3.35Å; F270-V298 HydrophobicContact CE2-CG2 3.39Å; F270-V298 HydrophobicContact CG-CG2 4.14Å; F270-V298 HydrophobicContact CZ-CG2 4.19Å
271	Q	95.1	Very high	93.4	Very high	121 Å²	121	58.1 Å²	58.1	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-61.9	-44.4	-179.9	-70	176.4	14.5	0	0	112	L267 T268 A269 R275	L267-Q271 WeakPolarHBondContact O-CG 3.33Å; L267-Q271 PolarHBondContact O-N 3.43Å; L267-Q271 VanDerWaalsContact O-N 3.12Å; T268-Q271 PolarHBondContact O-N 3Å; A269-Q271 PolarHBondContact O-N 2.91Å; Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 VanDerWaalsContact O-CG 3.27Å; Q271-R275 WeakPolarHBondContact O-CG 3.2Å; Q271-R275 PolarHBondContact O-N 2.95Å
272	Y	96.1	Very high	93.9	Very high	43 Å²	43	56.6 Å²	56.6	17%	0.169	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-44.7	177.8	-83.1	-65.9	0	0	0	112.4	M248 L251 Y255 T268 A269 F270 R275 S276	M248-Y272 HydrophobicContact CB-CD1 4.38Å; M248-Y272 WeakPolarHBondContact O-CB 3.26Å; L251-Y272 HydrophobicContact CB-CD1 4.21Å; L251-Y272 HydrophobicContact CB-CD2 4.42Å; L251-Y272 HydrophobicContact CB-CE1 4.36Å; L251-Y272 HydrophobicContact CB-CG 4.25Å; L251-Y272 HydrophobicContact CD1-CD1 4.36Å; L251-Y272 HydrophobicContact CD1-CE1 3.85Å; Y255-Y272 AromaticContact CD2-CD2 3.94Å; Y255-Y272 HydrophobicContact CD2-CD2 3.94Å; Y255-Y272 AromaticContact CD2-CE2 3.95Å; Y255-Y272 HydrophobicContact CD2-CE2 3.95Å; Y255-Y272 HydrophobicContact CE2-CD2 4.09Å; Y255-Y272 AromaticContact CE2-CE2 3.61Å; Y255-Y272 HydrophobicContact CE2-CE2 3.61Å; T268-Y272 VanDerWaalsContact O-CD2 3.28Å; T268-Y272 WeakPolarHBondContact O-CD2 3.44Å; T268-Y272 PolarHBondContact O-N 3.26Å; A269-Y272 PolarHBondContact O-N 2.58Å; F270-Y272 PolarHBondContact O-N 2.88Å; Y272-R275 PolarHBondContact O-N 3.28Å; Y272-S276 WeakPolarHBondContact O-CB 3.46Å; Y272-S276 PolarHBondContact O-N 3.49Å
273	F	96.2	Very high	94.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-41	176.8	-72.5	-50.4	0	0	0	112.1	G249 G252 K253 L256 A269 F270 S276 A277 L288 M291	G249-F273 VanDerWaalsContact O-CE1 3.23Å; G249-F273 WeakPolarHBondContact O-CE1 3.44Å; G252-F273 WeakPolarHBondContact O-CE2 3.31Å; K253-F273 HydrophobicContact CB-CZ 4.33Å; K253-F273 HydrophobicContact CG-CE1 3.89Å; K253-F273 HydrophobicContact CG-CZ 3.79Å; L256-F273 HydrophobicContact CB-CE2 4.08Å; L256-F273 HydrophobicContact CD1-CE2 3.76Å; A269-F273 HydrophobicContact CB-CD2 4.31Å; A269-F273 HydrophobicContact CB-CE2 4.17Å; A269-F273 WeakPolarHBondContact O-CB 3.47Å; A269-F273 WeakPolarHBondContact O-CD2 3.39Å; A269-F273 WeakPolarHBondContact O-CG 3.46Å; A269-F273 PolarHBondContact O-N 3.39Å; F270-F273 PolarHBondContact O-N 3.22Å; F273-S276 PolarHBondContact O-N 2.99Å; F273-A277 VanDerWaalsContact O-CB 3.22Å; F273-A277 WeakPolarHBondContact O-CB 3.26Å; F273-A277 PolarHBondContact O-N 3.4Å; F273-L288 HydrophobicContact CB-CD2 3.81Å; F273-L288 HydrophobicContact CB-CG 3.85Å; F273-M291 HydrophobicContact CD2-SD 3.6Å; F273-M291 VanDerWaalsContact CD2-SD 3.6Å; F273-M291 HydrophobicContact CE2-SD 4.14Å
274	K	96.2	Very high	94.5	Very high	99 Å²	99	53 Å²	53	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-51.2	174.9	-172.6	175.4	178.8	-179.4	0	111.9	F270 S276 A277 D278 L288	F270-K274 HydrophobicContact CE1-CD 3.98Å; F270-K274 HydrophobicContact CZ-CD 4.14Å; F270-K274 WeakPolarHBondContact O-CB 3.44Å; F270-K274 PolarHBondContact O-N 3.22Å; K274-S276 PolarHBondContact O-N 2.56Å; K274-A277 PolarHBondContact O-N 3.03Å; K274-D278 WeakPolarHBondContact O-CB 3.1Å; K274-D278 PolarHBondContact O-N 3.14Å; K274-L288 HydrophobicContact CB-CD2 4.3Å
275	R	96.4	Very high	94.8	Very high	138 Å²	138	51 Å²	51	52%	0.521	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-35	176.1	-71.4	175.4	70.7	-172.4	1.8	112.8	M248 Q271 Y272	M248-R275 HydrophobicContact SD-CB 4.31Å; Q271-R275 WeakPolarHBondContact O-CB 3.22Å; Q271-R275 VanDerWaalsContact O-CG 3.27Å; Q271-R275 WeakPolarHBondContact O-CG 3.2Å; Q271-R275 PolarHBondContact O-N 2.95Å; Y272-R275 PolarHBondContact O-N 3.28Å
276	S	96.2	Very high	94.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.3	-44.3	176.9	-169.6	0	0	0	0	112	T245 Y272 F273 K274 K279 N281	T245-S276 PolarHBondContact O-OG 3.33Å; Y272-S276 WeakPolarHBondContact O-CB 3.46Å; Y272-S276 PolarHBondContact O-N 3.49Å; F273-S276 PolarHBondContact O-N 2.99Å; K274-S276 PolarHBondContact O-N 2.56Å; S276-K279 PolarHBondContact O-N 3.16Å; S276-N281 VanDerWaalsContact O-CB 3.26Å; S276-N281 WeakPolarHBondContact O-CB 3.06Å; S276-N281 PolarHBondContact O-N 3.33Å; S276-N281 VanDerWaalsContact O-N 3.15Å; S276-N281 WeakPolarHBondContact OG-CB 3.08Å; S276-N281 PolarHBondContact OG-ND2 3.45Å; S276-N281 VanDerWaalsContact OG-ND2 3.13Å
277	A	96.2	Very high	94.9	Very high	11 Å²	11	45.7 Å²	45.7	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-70.5	-37.9	-179	0	0	0	0	0	113.1	F273 K274 K279 G280 Q285 L288	F273-A277 VanDerWaalsContact O-CB 3.22Å; F273-A277 WeakPolarHBondContact O-CB 3.26Å; F273-A277 PolarHBondContact O-N 3.4Å; K274-A277 PolarHBondContact O-N 3.03Å; A277-K279 PolarHBondContact O-N 2.61Å; A277-G280 WeakPolarHBondContact O-CA 3.28Å; A277-G280 PolarHBondContact O-N 2.8Å; A277-Q285 HydrophobicContact CB-CG 3.98Å; A277-L288 HydrophobicContact CB-CD1 3.48Å; A277-L288 VanDerWaalsContact CB-CD1 3.48Å; A277-L288 HydrophobicContact CB-CG 4.23Å
278	D	95.2	Very high	95	Very high	118 Å²	118	41 Å²	41	63%	0.631	20%	0.202	S	C	*	.	H	α-helix	trans	-61.3	-28.1	176.3	-70.7	-17.6	0	0	0	111.3	K274 G280	K274-D278 WeakPolarHBondContact O-CB 3.1Å; K274-D278 PolarHBondContact O-N 3.14Å; D278-G280 VanDerWaalsContact C-N 3.25Å; D278-G280 PolarHBondContact O-N 3.44Å
279	K	93.7	Very high	95	Very high	122 Å²	122	39.3 Å²	39.3	53%	0.53	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	9.4	171.9	-66.9	-179.9	171.1	-175.4	0	113.4	G243 T245 S276 A277	G243-K279 PolarHBondContact O-NZ 3.22Å; T245-K279 HydrophobicContact CG2-CB 3.54Å; T245-K279 HydrophobicContact CG2-CD 3.4Å; T245-K279 HydrophobicContact CG2-CG 4.13Å; S276-K279 PolarHBondContact O-N 3.16Å; A277-K279 PolarHBondContact O-N 2.61Å
280	G	92.6	Very high	94.9	Very high	37 Å²	37	41.4 Å²	41.4	38%	0.381	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	18.4	176.9	0	0	0	0	0	115	A277 D278 Q315	A277-G280 WeakPolarHBondContact O-CA 3.28Å; A277-G280 PolarHBondContact O-N 2.8Å; D278-G280 VanDerWaalsContact C-N 3.25Å; D278-G280 PolarHBondContact O-N 3.44Å; G280-Q315 PolarHBondContact O-OE1 3.28Å
281	N	94.2	Very high	94.8	Very high	16 Å²	16	39.3 Å²	39.3	9%	0.086	19%	0.191	C	C	.	.			trans	-78.3	131.2	179.9	-173.1	6.3	0	0	0	112.4	T245 N246 S276 I283 G284 Q285	T245-N281 PolarHBondContact O-ND2 3.13Å; N246-N281 VanDerWaalsContact CA-ND2 3.31Å; N246-N281 WeakPolarHBondContact CA-ND2 3.36Å; N246-N281 PolarHBondContact N-ND2 3.44Å; N246-N281 PolarHBondContact OD1-ND2 3.32Å; N246-N281 PolarHBondContact OD1-OD1 3.48Å; S276-N281 VanDerWaalsContact O-CB 3.26Å; S276-N281 WeakPolarHBondContact O-CB 3.06Å; S276-N281 PolarHBondContact O-N 3.33Å; S276-N281 VanDerWaalsContact O-N 3.15Å; S276-N281 WeakPolarHBondContact OG-CB 3.08Å; S276-N281 PolarHBondContact OG-ND2 3.45Å; S276-N281 VanDerWaalsContact OG-ND2 3.13Å; N281-I283 VanDerWaalsContact C-N 3.31Å; N281-I283 PolarHBondContact O-N 3.38Å; N281-I283 PolarHBondContact OD1-N 3.42Å; N281-G284 PolarHBondContact O-N 3.3Å; N281-Q285 WeakPolarHBondContact O-CG 3.36Å; N281-Q285 PolarHBondContact O-N 3.42Å
282	A	94.7	Very high	94.8	Very high	11 Å²	11	35.5 Å²	35.5	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-53.1	-42	173.9	0	0	0	0	0	113.4	Q285 S286 S312 Q315 N317	A282-Q285 PolarHBondContact O-N 3.41Å; A282-S286 PolarHBondContact O-N 2.86Å; A282-S286 PolarHBondContact O-OG 2.67Å; A282-S312 PolarHBondContact O-OG 2.92Å; A282-Q315 HydrophobicContact CB-CB 3.78Å; A282-Q315 HydrophobicContact CB-CG 4.5Å; A282-N317 VanDerWaalsContact C-ND2 3.31Å; A282-N317 HydrophobicContact CB-CB 3.95Å; A282-N317 PolarHBondContact O-ND2 3.22Å
283	I	92.9	Very high	94.7	Very high	22 Å²	22	34.5 Å²	34.5	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-40.6	-178.5	-56.5	173.7	0	0	0	110.9	N246 F250 K253 N281 S286 G287 N317	N246-I283 HydrophobicContact CB-CD1 4.47Å; F250-I283 HydrophobicContact CD2-CD1 4.1Å; F250-I283 HydrophobicContact CE1-CD1 4.32Å; F250-I283 HydrophobicContact CE2-CD1 3.56Å; F250-I283 HydrophobicContact CZ-CD1 3.69Å; K253-I283 HydrophobicContact CD-CG2 4.35Å; N281-I283 VanDerWaalsContact C-N 3.31Å; N281-I283 PolarHBondContact O-N 3.38Å; N281-I283 PolarHBondContact OD1-N 3.42Å; I283-S286 PolarHBondContact O-OG 3.4Å; I283-G287 PolarHBondContact O-N 2.76Å; I283-N317 WeakPolarHBondContact CA-ND2 3.45Å
284	G	95	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-48.3	174.4	0	0	0	0	0	112.2	N281 S286 G287 L288	N281-G284 PolarHBondContact O-N 3.3Å; G284-S286 PolarHBondContact O-N 3.41Å; G284-G287 PolarHBondContact O-N 3.18Å; G284-L288 PolarHBondContact O-N 3.38Å
285	Q	97.1	Very high	94	Very high	27 Å²	27	33.5 Å²	33.5	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-40.3	178.9	-70.9	171.7	-10.8	0	0	112.3	A277 N281 A282 G289 L308	A277-Q285 HydrophobicContact CB-CG 3.98Å; N281-Q285 WeakPolarHBondContact O-CG 3.36Å; N281-Q285 PolarHBondContact O-N 3.42Å; A282-Q285 PolarHBondContact O-N 3.41Å; Q285-G289 PolarHBondContact O-N 3.2Å; Q285-L308 HydrophobicContact CG-CD2 4.35Å
286	S	94.3	Very high	93.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-42.4	176.9	64.5	0	0	0	0	112.1	A282 I283 G284 G289 Y290 S312 N317	A282-S286 PolarHBondContact O-N 2.86Å; A282-S286 PolarHBondContact O-OG 2.67Å; I283-S286 PolarHBondContact O-OG 3.4Å; G284-S286 PolarHBondContact O-N 3.41Å; S286-G289 PolarHBondContact O-N 3.4Å; S286-Y290 WeakPolarHBondContact O-CB 3.39Å; S286-Y290 PolarHBondContact O-N 3.1Å; S286-S312 WeakPolarHBondContact CB-OG 3.45Å; S286-N317 VanDerWaalsContact CB-ND2 3.35Å; S286-N317 WeakPolarHBondContact CB-ND2 3.41Å; S286-N317 PolarHBondContact OG-ND2 3.42Å
287	G	93.2	Very high	93.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-50.9	177.1	0	0	0	0	0	111.9	I283 G284 G289 Y290 M291	I283-G287 PolarHBondContact O-N 2.76Å; G284-G287 PolarHBondContact O-N 3.18Å; G287-G289 PolarHBondContact O-N 3.41Å; G287-Y290 PolarHBondContact O-N 3.47Å; G287-M291 WeakPolarHBondContact O-CG 3.29Å; G287-M291 PolarHBondContact O-N 3.27Å
288	L	94.7	Very high	92.9	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.063	20%	0.195	C	C	.	.	H	α-helix	trans	-58.5	-46.3	174.3	-77.9	-172.9	0	0	0	112.2	F270 F273 K274 A277 G284 Y290 M291 Y292 L308	F270-L288 HydrophobicContact CD2-CD2 3.72Å; F270-L288 HydrophobicContact CE2-CD2 3.7Å; F273-L288 HydrophobicContact CB-CD2 3.81Å; F273-L288 HydrophobicContact CB-CG 3.85Å; K274-L288 HydrophobicContact CB-CD2 4.3Å; A277-L288 HydrophobicContact CB-CD1 3.48Å; A277-L288 VanDerWaalsContact CB-CD1 3.48Å; A277-L288 HydrophobicContact CB-CG 4.23Å; G284-L288 PolarHBondContact O-N 3.38Å; L288-Y290 VanDerWaalsContact C-N 3.25Å; L288-Y290 PolarHBondContact O-N 3.13Å; L288-M291 PolarHBondContact O-N 2.98Å; L288-M291 VanDerWaalsContact O-N 3.13Å; L288-Y292 WeakPolarHBondContact O-CD2 3.43Å; L288-Y292 PolarHBondContact O-N 3.11Å; L288-L308 HydrophobicContact CB-CD1 3.94Å
289	G	94.5	Very high	92.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-40.6	179.7	0	0	0	0	0	111.9	Q285 S286 G287 Y292 L293 A305	Q285-G289 PolarHBondContact O-N 3.2Å; S286-G289 PolarHBondContact O-N 3.4Å; G287-G289 PolarHBondContact O-N 3.41Å; G289-Y292 PolarHBondContact O-N 2.75Å; G289-L293 WeakPolarHBondContact O-CB 2.9Å; G289-L293 PolarHBondContact O-N 3.04Å; G289-A305 VanDerWaalsContact O-CB 3.23Å; G289-A305 WeakPolarHBondContact O-CB 3.49Å
290	Y	93.2	Very high	92.8	Very high	44 Å²	44	33.9 Å²	33.9	17%	0.173	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-38.5	174.3	179	-108.3	0	0	0	113.8	F165 L256 S286 G287 L288 Y292 L293 S294 L296 Q323	F165-Y290 AromaticContact CD1-CD1 3.87Å; F165-Y290 HydrophobicContact CD1-CD1 3.87Å; F165-Y290 AromaticContact CD1-CE1 3.67Å; F165-Y290 HydrophobicContact CD1-CE1 3.67Å; F165-Y290 HydrophobicContact CD1-CG 4.49Å; F165-Y290 HydrophobicContact CD2-CD1 4.15Å; F165-Y290 AromaticContact CD2-CD2 3.87Å; F165-Y290 HydrophobicContact CD2-CD2 3.87Å; F165-Y290 AromaticContact CD2-CE1 3.75Å; F165-Y290 HydrophobicContact CD2-CE1 3.75Å; F165-Y290 AromaticContact CD2-CE2 3.44Å; F165-Y290 HydrophobicContact CD2-CE2 3.44Å; F165-Y290 VanDerWaalsContact CD2-CE2 3.44Å; F165-Y290 HydrophobicContact CD2-CG 4.18Å; F165-Y290 AromaticContact CD2-CZ 3.36Å; F165-Y290 AromaticContact CE1-CD1 3.29Å; F165-Y290 HydrophobicContact CE1-CD1 3.29Å; F165-Y290 HydrophobicContact CE1-CD2 4.33Å; F165-Y290 AromaticContact CE1-CE1 3.61Å; F165-Y290 HydrophobicContact CE1-CE1 3.61Å; F165-Y290 AromaticContact CE1-CG 3.67Å; F165-Y290 HydrophobicContact CE1-CG 3.67Å; F165-Y290 AromaticContact CE2-CD1 3.6Å; F165-Y290 HydrophobicContact CE2-CD1 3.6Å; F165-Y290 AromaticContact CE2-CD2 3.08Å; F165-Y290 HydrophobicContact CE2-CD2 3.08Å; F165-Y290 AromaticContact CE2-CE1 3.69Å; F165-Y290 HydrophobicContact CE2-CE1 3.69Å; F165-Y290 AromaticContact CE2-CE2 3.17Å; F165-Y290 HydrophobicContact CE2-CE2 3.17Å; F165-Y290 AromaticContact CE2-CG 3.27Å; F165-Y290 HydrophobicContact CE2-CG 3.27Å; F165-Y290 AromaticContact CE2-CZ 3.48Å; F165-Y290 VanDerWaalsContact CE2-CZ 3.48Å; F165-Y290 HydrophobicContact CG-CD1 4.29Å; F165-Y290 AromaticContact CG-CE1 3.77Å; F165-Y290 HydrophobicContact CG-CE1 3.77Å; F165-Y290 HydrophobicContact CG-CE2 4.29Å; F165-Y290 AromaticContact CG-CZ 3.75Å; F165-Y290 AromaticContact CZ-CD1 3.17Å; F165-Y290 HydrophobicContact CZ-CD1 3.17Å; F165-Y290 AromaticContact CZ-CD2 3.39Å; F165-Y290 HydrophobicContact CZ-CD2 3.39Å; F165-Y290 AromaticContact CZ-CE1 3.65Å; F165-Y290 HydrophobicContact CZ-CE1 3.65Å; F165-Y290 AromaticContact CZ-CE2 3.85Å; F165-Y290 HydrophobicContact CZ-CE2 3.85Å; F165-Y290 AromaticContact CZ-CG 2.99Å; F165-Y290 HydrophobicContact CZ-CG 2.99Å; F165-Y290 AromaticContact CZ-CZ 3.96Å; L256-Y290 HydrophobicContact CD1-CD1 4.21Å; L256-Y290 HydrophobicContact CD2-CD1 4.32Å; L256-Y290 HydrophobicContact CD2-CE1 4.05Å; S286-Y290 WeakPolarHBondContact O-CB 3.39Å; S286-Y290 PolarHBondContact O-N 3.1Å; G287-Y290 PolarHBondContact O-N 3.47Å; L288-Y290 VanDerWaalsContact C-N 3.25Å; L288-Y290 PolarHBondContact O-N 3.13Å; Y290-Y292 VanDerWaalsContact C-N 3.33Å; Y290-Y292 PolarHBondContact O-N 3.02Å; Y290-L293 WeakPolarHBondContact O-CB 2.81Å; Y290-L293 PolarHBondContact O-N 2.92Å; Y290-L293 VanDerWaalsContact O-N 3.14Å; Y290-S294 WeakPolarHBondContact CD2-OG 3.45Å; Y290-S294 WeakPolarHBondContact CE2-OG 3.29Å; Y290-S294 VanDerWaalsContact CZ-OG 3.24Å; Y290-S294 WeakPolarHBondContact O-CB 3.43Å; Y290-S294 PolarHBondContact O-N 2.68Å; Y290-S294 PolarHBondContact O-OG 3.08Å; Y290-S294 VanDerWaalsContact O-OG 3.06Å; Y290-L296 HydrophobicContact CD1-CD1 4.21Å; Y290-L296 HydrophobicContact CE1-CD1 3.67Å; Y290-Q323 HydrophobicContact CD2-CG 4.17Å
291	M	93.5	Very high	92.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-40.5	175.6	-67.6	179.1	81.4	0	0	111.7	L256 N266 F270 F273 G287 L288 L293 G295 L296	L256-M291 HydrophobicContact CD1-CG 3.63Å; L256-M291 HydrophobicContact CD1-SD 4.14Å; N266-M291 VanDerWaalsContact O-CE 3.29Å; N266-M291 WeakPolarHBondContact O-CE 3.36Å; F270-M291 HydrophobicContact CB-CE 3.6Å; F270-M291 HydrophobicContact CB-SD 4.18Å; F270-M291 HydrophobicContact CD2-CE 4.22Å; F270-M291 HydrophobicContact CD2-SD 4.29Å; F270-M291 HydrophobicContact CG-CE 4.42Å; F273-M291 HydrophobicContact CD2-SD 3.6Å; F273-M291 VanDerWaalsContact CD2-SD 3.6Å; F273-M291 HydrophobicContact CE2-SD 4.14Å; G287-M291 WeakPolarHBondContact O-CG 3.29Å; G287-M291 PolarHBondContact O-N 3.27Å; L288-M291 PolarHBondContact O-N 2.98Å; L288-M291 VanDerWaalsContact O-N 3.13Å; M291-L293 VanDerWaalsContact C-N 3.34Å; M291-G295 WeakPolarHBondContact O-CA 3Å; M291-G295 PolarHBondContact O-N 3.28Å; M291-L296 HydrophobicContact CE-CB 4.5Å; M291-L296 WeakPolarHBondContact CE-O 3.21Å; M291-L296 HydrophobicContact CG-CB 4.39Å; M291-L296 PolarHBondContact O-N 2.82Å
292	Y	95.8	Very high	92.9	Very high	41 Å²	41	37 Å²	37	16%	0.161	21%	0.207	C	C	.	.	H	α-helix	trans	-69.2	-29.4	172.2	-76.6	-66	0	0	0	113.4	L288 G289 Y290 V298 N300 D301 K304 L308	L288-Y292 WeakPolarHBondContact O-CD2 3.43Å; L288-Y292 PolarHBondContact O-N 3.11Å; G289-Y292 PolarHBondContact O-N 2.75Å; Y290-Y292 VanDerWaalsContact C-N 3.33Å; Y290-Y292 PolarHBondContact O-N 3.02Å; Y292-V298 HydrophobicContact CD1-CB 4.45Å; Y292-V298 HydrophobicContact CD1-CG1 3.79Å; Y292-V298 HydrophobicContact CE1-CB 4.33Å; Y292-V298 HydrophobicContact CE1-CG1 3.32Å; Y292-N300 CarbonylContact O-C 3.6Å; Y292-N300 VanDerWaalsContact O-CA 3.3Å; Y292-N300 WeakPolarHBondContact O-CA 3.22Å; Y292-D301 HydrophobicContact CD1-CB 3.94Å; Y292-D301 PolarHBondContact O-N 2.95Å; Y292-K304 HydrophobicContact CD2-CB 4.46Å; Y292-K304 HydrophobicContact CE1-CD 4.17Å; Y292-K304 HydrophobicContact CG-CB 4.43Å; Y292-L308 HydrophobicContact CD2-CD1 3.83Å; Y292-L308 HydrophobicContact CE2-CD1 3.95Å
293	L	92.2	Very high	92.9	Very high	21 Å²	21	41.7 Å²	41.7	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-73.2	-39	176.8	-174	150.7	0	0	0	111.8	G289 Y290 M291 A305 L309 M327 L332	G289-L293 WeakPolarHBondContact O-CB 2.9Å; G289-L293 PolarHBondContact O-N 3.04Å; Y290-L293 WeakPolarHBondContact O-CB 2.81Å; Y290-L293 PolarHBondContact O-N 2.92Å; Y290-L293 VanDerWaalsContact O-N 3.14Å; M291-L293 VanDerWaalsContact C-N 3.34Å; L293-A305 HydrophobicContact CB-CB 4.01Å; L293-L309 HydrophobicContact CD1-CD1 4.06Å; L293-M327 HydrophobicContact CD1-CE 4.39Å; L293-M327 HydrophobicContact CD1-CG 3.49Å; L293-M327 VanDerWaalsContact CD1-CG 3.49Å; L293-M327 HydrophobicContact CD1-SD 3.69Å; L293-L332 HydrophobicContact CD2-CD1 4.45Å
294	S	89.4	Confident	92.9	Very high	46 Å²	46	45.7 Å²	45.7	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-101.7	-15.8	-171	-49.4	0	0	0	0	114.1	Y290 N300	Y290-S294 WeakPolarHBondContact CD2-OG 3.45Å; Y290-S294 WeakPolarHBondContact CE2-OG 3.29Å; Y290-S294 VanDerWaalsContact CZ-OG 3.24Å; Y290-S294 WeakPolarHBondContact O-CB 3.43Å; Y290-S294 PolarHBondContact O-N 2.68Å; Y290-S294 PolarHBondContact O-OG 3.08Å; Y290-S294 VanDerWaalsContact O-OG 3.06Å; S294-N300 VanDerWaalsContact C-OD1 3.27Å
295	G	90.2	Very high	92.9	Very high	32 Å²	32	45.7 Å²	45.7	33%	0.33	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	26.8	178	0	0	0	0	0	113.7	M291 G297 V298 N300	M291-G295 WeakPolarHBondContact O-CA 3Å; M291-G295 PolarHBondContact O-N 3.28Å; G295-G297 PolarHBondContact O-N 2.9Å; G295-V298 CarbonylContact C-O 3.59Å; G295-V298 WeakPolarHBondContact CA-O 3.5Å; G295-N300 WeakPolarHBondContact CA-OD1 3.33Å; G295-N300 PolarHBondContact N-OD1 3.19Å
296	L	87.3	Confident	92.9	Very high	48 Å²	48	48.2 Å²	48.2	25%	0.251	26%	0.256	S	S	.	.	S	Bend	trans	-84.7	103.5	-175.6	-64.7	171.9	0	0	0	109.6	L256 Y290 M291 V298	L256-L296 HydrophobicContact CD1-CD1 4.16Å; L256-L296 HydrophobicContact CD2-CD1 4.41Å; L256-L296 HydrophobicContact CG-CD1 4.33Å; Y290-L296 HydrophobicContact CD1-CD1 4.21Å; Y290-L296 HydrophobicContact CE1-CD1 3.67Å; M291-L296 HydrophobicContact CE-CB 4.5Å; M291-L296 WeakPolarHBondContact CE-O 3.21Å; M291-L296 HydrophobicContact CG-CB 4.39Å; M291-L296 PolarHBondContact O-N 2.82Å; L296-V298 PolarHBondContact O-N 3.16Å; L296-V298 VanDerWaalsContact O-N 3.08Å
297	G	85.7	Confident	93	Very high	45 Å²	45	55 Å²	55	46%	0.464	29%	0.285	S	S	.	.	S	Bend	trans	70.7	-2.5	179	0	0	0	0	0	115.2	G295	G295-G297 PolarHBondContact O-N 2.9Å
298	V	92.8	Very high	93.1	Very high	37 Å²	37	57 Å²	57	22%	0.224	30%	0.295	C	S	.	.	S	Bend	trans	-142.7	153	178.1	-167.6	0	0	0	0	108.4	F270 Y292 G295 L296	F270-V298 HydrophobicContact CD2-CG2 3.35Å; F270-V298 HydrophobicContact CE2-CG2 3.39Å; F270-V298 HydrophobicContact CG-CG2 4.14Å; F270-V298 HydrophobicContact CZ-CG2 4.19Å; Y292-V298 HydrophobicContact CD1-CB 4.45Å; Y292-V298 HydrophobicContact CD1-CG1 3.79Å; Y292-V298 HydrophobicContact CE1-CB 4.33Å; Y292-V298 HydrophobicContact CE1-CG1 3.32Å; G295-V298 CarbonylContact C-O 3.59Å; G295-V298 WeakPolarHBondContact CA-O 3.5Å; L296-V298 PolarHBondContact O-N 3.16Å; L296-V298 VanDerWaalsContact O-N 3.08Å
299	E	91.5	Very high	93.2	Very high	172 Å²	172	56.4 Å²	56.4	80%	0.804	29%	0.292	S	S	*	.			trans	-64.6	148.1	174.6	-65.1	179.6	172.9	0	0	112.1	D301	E299-D301 PolarHBondContact O-N 2.97Å
300	N	93.6	Very high	93.3	Very high	96 Å²	96	57.6 Å²	57.6	51%	0.513	30%	0.3	S	S	.	.			trans	-62.6	125.9	178	-75.1	-19.7	0	0	0	111.1	Y292 S294 G295	Y292-N300 CarbonylContact O-C 3.6Å; Y292-N300 VanDerWaalsContact O-CA 3.3Å; Y292-N300 WeakPolarHBondContact O-CA 3.22Å; S294-N300 VanDerWaalsContact C-OD1 3.27Å; G295-N300 WeakPolarHBondContact CA-OD1 3.33Å; G295-N300 PolarHBondContact N-OD1 3.19Å
301	D	95	Very high	93.4	Very high	41 Å²	41	57 Å²	57	22%	0.219	30%	0.304	C	S	.	.			trans	-144.7	92.5	175.5	-170.8	-33.2	0	0	0	109.3	Y292 E299 D303 K304 A305	Y292-D301 HydrophobicContact CD1-CB 3.94Å; Y292-D301 PolarHBondContact O-N 2.95Å; E299-D301 PolarHBondContact O-N 2.97Å; D301-D303 VanDerWaalsContact C-N 3.29Å; D301-D303 PolarHBondContact O-N 3.41Å; D301-D303 PolarHBondContact OD1-N 3.14Å; D301-K304 HydrophobicContact CB-CB 4.1Å; D301-K304 HydrophobicContact CB-CD 4.28Å; D301-K304 HydrophobicContact CB-CG 4.37Å; D301-K304 PolarHBondContact O-N 3.4Å; D301-K304 PolarHBondContact OD1-N 2.94Å; D301-K304 WeakPolarHBondContact OD2-CD 3.44Å; D301-K304 WeakPolarHBondContact OD2-CE 3.41Å; D301-K304 VanDerWaalsContact OD2-CG 3.29Å; D301-K304 WeakPolarHBondContact OD2-CG 3.32Å; D301-K304 IonicContact OD2-NZ 2.68Å; D301-K304 PolarHBondContact OD2-NZ 3.19Å; D301-A305 WeakPolarHBondContact O-CB 3.2Å; D301-A305 PolarHBondContact O-N 3.03Å
302	F	94.9	Very high	93.6	Very high	78 Å²	78	57 Å²	57	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-30.4	-175.3	-58.4	-65.1	0	0	0	113	A305 Y306 L332	F302-A305 PolarHBondContact O-N 3.06Å; F302-Y306 VanDerWaalsContact O-CB 3.31Å; F302-Y306 WeakPolarHBondContact O-CB 3.43Å; F302-Y306 PolarHBondContact O-N 3.49Å; F302-L332 HydrophobicContact CE1-CB 4.5Å
303	D	93.9	Very high	93.5	Very high	109 Å²	109	55.5 Å²	55.5	58%	0.583	30%	0.3	S	S	*	.	H	α-helix	trans	-70.5	-43.1	178.6	-73.7	-29.1	0	0	0	111	D301 K307	D301-D303 VanDerWaalsContact C-N 3.29Å; D301-D303 PolarHBondContact O-N 3.41Å; D301-D303 PolarHBondContact OD1-N 3.14Å; D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.47Å; D303-K307 VanDerWaalsContact O-N 3.13Å
304	K	93.8	Very high	93.7	Very high	105 Å²	105	62.5 Å²	62.5	46%	0.457	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-42.5	171.9	-74	-175.7	-167.5	125	0	111.4	Y292 D301 Y306 K307 L308	Y292-K304 HydrophobicContact CD2-CB 4.46Å; Y292-K304 HydrophobicContact CE1-CD 4.17Å; Y292-K304 HydrophobicContact CG-CB 4.43Å; D301-K304 HydrophobicContact CB-CB 4.1Å; D301-K304 HydrophobicContact CB-CD 4.28Å; D301-K304 HydrophobicContact CB-CG 4.37Å; D301-K304 PolarHBondContact O-N 3.4Å; D301-K304 PolarHBondContact OD1-N 2.94Å; D301-K304 WeakPolarHBondContact OD2-CD 3.44Å; D301-K304 WeakPolarHBondContact OD2-CE 3.41Å; D301-K304 VanDerWaalsContact OD2-CG 3.29Å; D301-K304 WeakPolarHBondContact OD2-CG 3.32Å; D301-K304 IonicContact OD2-NZ 2.68Å; D301-K304 PolarHBondContact OD2-NZ 3.19Å; K304-Y306 PolarHBondContact O-N 3.33Å; K304-K307 PolarHBondContact O-N 2.87Å; K304-L308 WeakPolarHBondContact O-CB 3.41Å; K304-L308 WeakPolarHBondContact O-CG 3.43Å; K304-L308 PolarHBondContact O-N 3.37Å
305	A	95.6	Very high	93.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.2	-50.1	176.2	0	0	0	0	0	110.9	G289 L293 D301 F302 K307 L308 L309	G289-A305 VanDerWaalsContact O-CB 3.23Å; G289-A305 WeakPolarHBondContact O-CB 3.49Å; L293-A305 HydrophobicContact CB-CB 4.01Å; D301-A305 WeakPolarHBondContact O-CB 3.2Å; D301-A305 PolarHBondContact O-N 3.03Å; F302-A305 PolarHBondContact O-N 3.06Å; A305-K307 PolarHBondContact O-N 3.39Å; A305-L308 PolarHBondContact O-N 3.46Å; A305-L309 HydrophobicContact CB-CD1 4.47Å; A305-L309 VanDerWaalsContact O-CB 3.27Å; A305-L309 WeakPolarHBondContact O-CB 3.12Å; A305-L309 WeakPolarHBondContact O-CG 3.37Å; A305-L309 PolarHBondContact O-N 3.25Å
306	Y	96.2	Very high	93.8	Very high	81 Å²	81	65.8 Å²	65.8	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-56.8	-48.7	178.5	179.5	-102.6	0	0	0	111.8	F302 K304 L308 L309 S310 L324 M327 F328 V334	F302-Y306 VanDerWaalsContact O-CB 3.31Å; F302-Y306 WeakPolarHBondContact O-CB 3.43Å; F302-Y306 PolarHBondContact O-N 3.49Å; K304-Y306 PolarHBondContact O-N 3.33Å; Y306-L308 PolarHBondContact O-N 3.47Å; Y306-L309 PolarHBondContact O-N 3.48Å; Y306-S310 VanDerWaalsContact O-CB 3.24Å; Y306-S310 WeakPolarHBondContact O-CB 3.38Å; Y306-S310 PolarHBondContact O-N 2.98Å; Y306-S310 PolarHBondContact O-OG 2.83Å; Y306-S310 VanDerWaalsContact O-OG 3.1Å; Y306-L324 HydrophobicContact CD2-CD2 3.9Å; Y306-L324 HydrophobicContact CE2-CD2 4.06Å; Y306-M327 HydrophobicContact CD2-CE 4.28Å; Y306-F328 HydrophobicContact CE2-CE2 4.37Å; Y306-F328 AromaticContact CE2-CZ 3.88Å; Y306-F328 HydrophobicContact CE2-CZ 3.88Å; Y306-V334 HydrophobicContact CD2-CG1 4.43Å; Y306-V334 HydrophobicContact CD2-CG2 3.79Å; Y306-V334 HydrophobicContact CE2-CG1 4.15Å; Y306-V334 HydrophobicContact CE2-CG2 4.15Å
307	K	95.8	Very high	94	Very high	146 Å²	146	64.3 Å²	64.3	64%	0.635	34%	0.339	S	S	*	.	H	α-helix	trans	-62.3	-41.8	179.8	-72.4	175.1	-176.3	174.9	0	113	D303 K304 A305 S310 A311	D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.47Å; D303-K307 VanDerWaalsContact O-N 3.13Å; K304-K307 PolarHBondContact O-N 2.87Å; A305-K307 PolarHBondContact O-N 3.39Å; K307-S310 PolarHBondContact O-OG 3.12Å; K307-A311 WeakPolarHBondContact O-CB 3.31Å; K307-A311 PolarHBondContact O-N 3.07Å
308	L	96.4	Very high	94.2	Very high	41 Å²	41	64 Å²	64	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-43.5	179	-73.8	169.4	0	0	0	111.6	Q285 L288 Y292 K304 A305 Y306 A311 S312	Q285-L308 HydrophobicContact CG-CD2 4.35Å; L288-L308 HydrophobicContact CB-CD1 3.94Å; Y292-L308 HydrophobicContact CD2-CD1 3.83Å; Y292-L308 HydrophobicContact CE2-CD1 3.95Å; K304-L308 WeakPolarHBondContact O-CB 3.41Å; K304-L308 WeakPolarHBondContact O-CG 3.43Å; K304-L308 PolarHBondContact O-N 3.37Å; A305-L308 PolarHBondContact O-N 3.46Å; Y306-L308 PolarHBondContact O-N 3.47Å; L308-A311 PolarHBondContact O-N 3.23Å; L308-S312 WeakPolarHBondContact O-CB 3.2Å; L308-S312 PolarHBondContact O-N 3.24Å
309	L	96.7	Very high	94	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-39.9	178.1	-67.8	169.9	0	0	0	111.3	L293 A305 Y306 S312 A313 A320 Q323 L324 M327	L293-L309 HydrophobicContact CD1-CD1 4.06Å; A305-L309 HydrophobicContact CB-CD1 4.47Å; A305-L309 VanDerWaalsContact O-CB 3.27Å; A305-L309 WeakPolarHBondContact O-CB 3.12Å; A305-L309 WeakPolarHBondContact O-CG 3.37Å; A305-L309 PolarHBondContact O-N 3.25Å; Y306-L309 PolarHBondContact O-N 3.48Å; L309-S312 PolarHBondContact O-N 3.43Å; L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.19Å; L309-A313 PolarHBondContact O-N 2.89Å; L309-A320 HydrophobicContact CD2-CB 4.15Å; L309-Q323 HydrophobicContact CD1-CB 3.83Å; L309-Q323 HydrophobicContact CD2-CB 3.98Å; L309-Q323 HydrophobicContact CD2-CG 4.4Å; L309-L324 HydrophobicContact CB-CD2 3.86Å; L309-L324 HydrophobicContact CB-CG 3.95Å; L309-M327 HydrophobicContact CD1-SD 3.65Å
310	S	96.2	Very high	94.2	Very high	26 Å²	26	54.8 Å²	54.8	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-47.4	175.4	67.8	0	0	0	0	111.4	Y306 K307 S312 A313 E314	Y306-S310 VanDerWaalsContact O-CB 3.24Å; Y306-S310 WeakPolarHBondContact O-CB 3.38Å; Y306-S310 PolarHBondContact O-N 2.98Å; Y306-S310 PolarHBondContact O-OG 2.83Å; Y306-S310 VanDerWaalsContact O-OG 3.1Å; K307-S310 PolarHBondContact O-OG 3.12Å; S310-S312 VanDerWaalsContact C-N 3.29Å; S310-S312 PolarHBondContact O-N 3.34Å; S310-A313 PolarHBondContact O-N 3.17Å; S310-E314 WeakPolarHBondContact O-CG 3.08Å; S310-E314 PolarHBondContact O-N 2.79Å
311	A	96.2	Very high	94.2	Very high	31 Å²	31	51.1 Å²	51.1	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-36.5	177.3	0	0	0	0	0	112.7	K307 L308 Q315	K307-A311 WeakPolarHBondContact O-CB 3.31Å; K307-A311 PolarHBondContact O-N 3.07Å; L308-A311 PolarHBondContact O-N 3.23Å; A311-Q315 WeakPolarHBondContact O-CG 3.48Å; A311-Q315 PolarHBondContact O-NE2 3.45Å
312	S	95.9	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73.7	-39.8	177.1	-176.4	0	0	0	0	112.8	A282 S286 L308 L309 S310 E314 Q315 G316 N317 A320	A282-S312 PolarHBondContact O-OG 2.92Å; S286-S312 WeakPolarHBondContact CB-OG 3.45Å; L308-S312 WeakPolarHBondContact O-CB 3.2Å; L308-S312 PolarHBondContact O-N 3.24Å; L309-S312 PolarHBondContact O-N 3.43Å; S310-S312 VanDerWaalsContact C-N 3.29Å; S310-S312 PolarHBondContact O-N 3.34Å; S312-E314 VanDerWaalsContact C-N 3.35Å; S312-E314 PolarHBondContact O-N 2.93Å; S312-Q315 WeakPolarHBondContact O-CB 3.34Å; S312-Q315 PolarHBondContact O-N 3.45Å; S312-Q315 VanDerWaalsContact O-N 3.15Å; S312-G316 PolarHBondContact O-N 3.21Å; S312-N317 WeakPolarHBondContact O-CB 3.49Å; S312-N317 PolarHBondContact O-N 3.33Å; S312-N317 VanDerWaalsContact OG-CB 3.26Å; S312-N317 WeakPolarHBondContact OG-CB 3.38Å; S312-N317 PolarHBondContact OG-ND2 3.37Å; S312-A320 WeakPolarHBondContact OG-CB 3.25Å
313	A	95.3	Very high	94	Very high	10 Å²	10	46.4 Å²	46.4	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-34.8	177.8	0	0	0	0	0	112.3	L309 S310 Q315 G316 A320 Q321 L324 Y344	L309-A313 VanDerWaalsContact O-CB 3.26Å; L309-A313 WeakPolarHBondContact O-CB 3.19Å; L309-A313 PolarHBondContact O-N 2.89Å; S310-A313 PolarHBondContact O-N 3.17Å; A313-Q315 PolarHBondContact O-N 3.46Å; A313-G316 WeakPolarHBondContact O-CA 3.44Å; A313-G316 PolarHBondContact O-N 2.87Å; A313-A320 HydrophobicContact CB-CB 4.01Å; A313-Q321 HydrophobicContact CB-CG 3.93Å; A313-L324 HydrophobicContact CB-CD1 3.43Å; A313-L324 VanDerWaalsContact CB-CD1 3.43Å; A313-Y344 HydrophobicContact CB-CE1 4.29Å
314	E	94.7	Very high	94	Very high	169 Å²	169	41.2 Å²	41.2	79%	0.79	21%	0.213	S	C	*	.	H	α-helix	trans	-62.4	-29.6	171.9	-76.5	179.3	-178.1	0	0	112.7	S310 S312 G316	S310-E314 WeakPolarHBondContact O-CG 3.08Å; S310-E314 PolarHBondContact O-N 2.79Å; S312-E314 VanDerWaalsContact C-N 3.35Å; S312-E314 PolarHBondContact O-N 2.93Å; E314-G316 PolarHBondContact O-N 2.8Å
315	Q	93.4	Very high	94	Very high	102 Å²	102	36.2 Å²	36.2	48%	0.477	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.4	172.4	-67	169.7	58.8	0	0	113.2	G280 A282 A311 S312 A313	G280-Q315 PolarHBondContact O-OE1 3.28Å; A282-Q315 HydrophobicContact CB-CB 3.78Å; A282-Q315 HydrophobicContact CB-CG 4.5Å; A311-Q315 WeakPolarHBondContact O-CG 3.48Å; A311-Q315 PolarHBondContact O-NE2 3.45Å; S312-Q315 WeakPolarHBondContact O-CB 3.34Å; S312-Q315 PolarHBondContact O-N 3.45Å; S312-Q315 VanDerWaalsContact O-N 3.15Å; A313-Q315 PolarHBondContact O-N 3.46Å
316	G	89.7	Confident	93.9	Very high	45 Å²	45	37.9 Å²	37.9	46%	0.464	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	15.9	177	0	0	0	0	0	114.7	S312 A313 E314 V318	S312-G316 PolarHBondContact O-N 3.21Å; A313-G316 WeakPolarHBondContact O-CA 3.44Å; A313-G316 PolarHBondContact O-N 2.87Å; E314-G316 PolarHBondContact O-N 2.8Å; G316-V318 PolarHBondContact O-N 3.11Å
317	N	90.9	Very high	93.8	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.184	C	C	.	.			trans	-71.1	124.6	176.3	-172.8	-20.6	0	0	0	111.4	A282 I283 S286 S312 D319 A320 Q321	A282-N317 VanDerWaalsContact C-ND2 3.31Å; A282-N317 HydrophobicContact CB-CB 3.95Å; A282-N317 PolarHBondContact O-ND2 3.22Å; I283-N317 WeakPolarHBondContact CA-ND2 3.45Å; S286-N317 VanDerWaalsContact CB-ND2 3.35Å; S286-N317 WeakPolarHBondContact CB-ND2 3.41Å; S286-N317 PolarHBondContact OG-ND2 3.42Å; S312-N317 WeakPolarHBondContact O-CB 3.49Å; S312-N317 PolarHBondContact O-N 3.33Å; S312-N317 VanDerWaalsContact OG-CB 3.26Å; S312-N317 WeakPolarHBondContact OG-CB 3.38Å; S312-N317 PolarHBondContact OG-ND2 3.37Å; N317-D319 PolarHBondContact OD1-N 3.29Å; N317-A320 HydrophobicContact CB-CB 4.18Å; N317-A320 PolarHBondContact O-N 3.38Å; N317-Q321 VanDerWaalsContact O-CG 3.27Å; N317-Q321 WeakPolarHBondContact O-CG 3.21Å; N317-Q321 PolarHBondContact O-N 3.27Å; N317-Q321 VanDerWaalsContact O-N 3.12Å
318	V	90	Very high	93.9	Very high	37 Å²	37	27.2 Å²	27.2	22%	0.224	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-40.8	-177.1	-179.2	0	0	0	0	112.1	G316 Q321 L322 A348 S351	G316-V318 PolarHBondContact O-N 3.11Å; V318-Q321 PolarHBondContact O-N 2.95Å; V318-L322 PolarHBondContact O-N 3.28Å; V318-A348 HydrophobicContact CG1-CB 4.12Å; V318-S351 WeakPolarHBondContact CG1-OG 3.22Å; V318-S351 WeakPolarHBondContact CG2-OG 3.36Å
319	D	89.6	Confident	93.8	Very high	17 Å²	17	27.4 Å²	27.4	9%	0.091	15%	0.153	C	C	.	.	H	α-helix	trans	-69.9	-39.8	-176.9	-51	-43	0	0	0	110.3	K253 N317 Q321 L322 Q323	K253-D319 WeakPolarHBondContact CE-OD2 3.37Å; K253-D319 IonicContact NZ-OD2 3.39Å; K253-D319 PolarHBondContact NZ-OD2 2.84Å; N317-D319 PolarHBondContact OD1-N 3.29Å; D319-Q321 VanDerWaalsContact C-N 3.33Å; D319-Q321 PolarHBondContact O-N 3.28Å; D319-L322 WeakPolarHBondContact O-CB 3.49Å; D319-L322 PolarHBondContact O-N 3.15Å; D319-Q323 WeakPolarHBondContact O-CG 3.41Å; D319-Q323 PolarHBondContact O-N 3.5Å
320	A	93.9	Very high	93.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-40.8	175.7	0	0	0	0	0	111.9	L309 S312 A313 N317 Q323 L324	L309-A320 HydrophobicContact CD2-CB 4.15Å; S312-A320 WeakPolarHBondContact OG-CB 3.25Å; A313-A320 HydrophobicContact CB-CB 4.01Å; N317-A320 HydrophobicContact CB-CB 4.18Å; N317-A320 PolarHBondContact O-N 3.38Å; A320-Q323 PolarHBondContact O-N 2.8Å; A320-L324 WeakPolarHBondContact O-CB 3.22Å; A320-L324 WeakPolarHBondContact O-CG 3.22Å; A320-L324 PolarHBondContact O-N 3.43Å
321	Q	95.2	Very high	93.4	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-45	173	-69.1	165.5	5.2	0	0	111.1	A313 N317 V318 D319 Q323 L324 G325 Y344 L347 A348	A313-Q321 HydrophobicContact CB-CG 3.93Å; N317-Q321 VanDerWaalsContact O-CG 3.27Å; N317-Q321 WeakPolarHBondContact O-CG 3.21Å; N317-Q321 PolarHBondContact O-N 3.27Å; N317-Q321 VanDerWaalsContact O-N 3.12Å; V318-Q321 PolarHBondContact O-N 2.95Å; D319-Q321 VanDerWaalsContact C-N 3.33Å; D319-Q321 PolarHBondContact O-N 3.28Å; Q321-Q323 PolarHBondContact O-N 2.87Å; Q321-L324 PolarHBondContact O-N 3.22Å; Q321-G325 PolarHBondContact O-N 3.22Å; Q321-Y344 HydrophobicContact CB-CD1 4.37Å; Q321-Y344 HydrophobicContact CG-CD1 4.35Å; Q321-Y344 WeakPolarHBondContact O-CB 3.37Å; Q321-L347 HydrophobicContact CG-CB 4.44Å; Q321-A348 HydrophobicContact CB-CB 4.06Å
322	L	91.8	Very high	93	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-46.8	176.8	180	68.8	0	0	0	111.6	V318 D319 G325 L326 F345 F355 A356	V318-L322 PolarHBondContact O-N 3.28Å; D319-L322 WeakPolarHBondContact O-CB 3.49Å; D319-L322 PolarHBondContact O-N 3.15Å; L322-G325 WeakPolarHBondContact O-CA 3.28Å; L322-G325 PolarHBondContact O-N 3.35Å; L322-L326 PolarHBondContact O-N 3.32Å; L322-F345 HydrophobicContact CD1-CD1 3.97Å; L322-F345 HydrophobicContact CD1-CE1 3.91Å; L322-F355 HydrophobicContact CD1-CB 4.07Å; L322-F355 HydrophobicContact CD2-CB 3.75Å; L322-F355 HydrophobicContact CD2-CG 4.48Å; L322-A356 HydrophobicContact CD1-CB 4.06Å
323	Q	92.5	Very high	92.6	Very high	12 Å²	12	36 Å²	36	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-42.2	-179.1	-66.7	-49.5	-50.2	0	0	112.5	F165 Y290 L309 D319 A320 Q321 G325 L326 M327	F165-Q323 HydrophobicContact CE2-CG 4.05Å; F165-Q323 VanDerWaalsContact CE2-NE2 3.34Å; Y290-Q323 HydrophobicContact CD2-CG 4.17Å; L309-Q323 HydrophobicContact CD1-CB 3.83Å; L309-Q323 HydrophobicContact CD2-CB 3.98Å; L309-Q323 HydrophobicContact CD2-CG 4.4Å; D319-Q323 WeakPolarHBondContact O-CG 3.41Å; D319-Q323 PolarHBondContact O-N 3.5Å; A320-Q323 PolarHBondContact O-N 2.8Å; Q321-Q323 PolarHBondContact O-N 2.87Å; Q323-G325 PolarHBondContact O-N 3.21Å; Q323-L326 CarbonylContact O-C 3.03Å; Q323-L326 PolarHBondContact O-N 3.21Å; Q323-L326 VanDerWaalsContact O-N 3.13Å; Q323-M327 VanDerWaalsContact O-CG 3.31Å; Q323-M327 WeakPolarHBondContact O-CG 3.33Å; Q323-M327 PolarHBondContact O-N 2.84Å
324	L	95.1	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-39.5	171.6	-71.9	172.4	0	0	0	111.4	Y306 L309 A313 A320 Q321 L326 M327 F328 Y344	Y306-L324 HydrophobicContact CD2-CD2 3.9Å; Y306-L324 HydrophobicContact CE2-CD2 4.06Å; L309-L324 HydrophobicContact CB-CD2 3.86Å; L309-L324 HydrophobicContact CB-CG 3.95Å; A313-L324 HydrophobicContact CB-CD1 3.43Å; A313-L324 VanDerWaalsContact CB-CD1 3.43Å; A320-L324 WeakPolarHBondContact O-CB 3.22Å; A320-L324 WeakPolarHBondContact O-CG 3.22Å; A320-L324 PolarHBondContact O-N 3.43Å; Q321-L324 PolarHBondContact O-N 3.22Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.05Å; L324-M327 HydrophobicContact CD2-SD 4.15Å; L324-M327 PolarHBondContact O-N 3.02Å; L324-F328 WeakPolarHBondContact O-CD2 3.34Å; L324-F328 PolarHBondContact O-N 3.27Å; L324-Y344 HydrophobicContact CB-CD1 4.09Å; L324-Y344 HydrophobicContact CB-CD2 4.11Å; L324-Y344 HydrophobicContact CB-CE1 4.23Å; L324-Y344 HydrophobicContact CB-CE2 4.28Å; L324-Y344 HydrophobicContact CB-CG 4.04Å; L324-Y344 HydrophobicContact CD1-CD1 4.14Å; L324-Y344 HydrophobicContact CD1-CE1 3.59Å
325	G	94	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-47.4	172.8	0	0	0	0	0	112	Q321 L322 Q323 Y329 A341	Q321-G325 PolarHBondContact O-N 3.22Å; L322-G325 WeakPolarHBondContact O-CA 3.28Å; L322-G325 PolarHBondContact O-N 3.35Å; Q323-G325 PolarHBondContact O-N 3.21Å; G325-Y329 WeakPolarHBondContact O-CB 3.3Å; G325-Y329 PolarHBondContact O-N 3.25Å; G325-A341 WeakPolarHBondContact O-CB 3.49Å
326	L	93.1	Very high	92.5	Very high	34 Å²	34	34.4 Å²	34.4	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-39.3	176.6	-71	170.3	0	0	0	112.8	L322 Q323 L324 Y329 H330 F345	L322-L326 PolarHBondContact O-N 3.32Å; Q323-L326 CarbonylContact O-C 3.03Å; Q323-L326 PolarHBondContact O-N 3.21Å; Q323-L326 VanDerWaalsContact O-N 3.13Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 3.05Å; L326-Y329 PolarHBondContact O-N 3.39Å; L326-H330 PolarHBondContact O-N 2.84Å; L326-F345 HydrophobicContact CD2-CE1 4.32Å; L326-F345 HydrophobicContact CD2-CZ 4.02Å; L326-F345 HydrophobicContact CG-CE1 4.12Å; L326-F345 HydrophobicContact CG-CZ 4.18Å
327	M	94.7	Very high	92.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-46.5	176.3	-71.3	178.6	81.2	0	0	111.3	L293 Y306 L309 Q323 L324 Y329 G331 L332 V334	L293-M327 HydrophobicContact CD1-CE 4.39Å; L293-M327 HydrophobicContact CD1-CG 3.49Å; L293-M327 VanDerWaalsContact CD1-CG 3.49Å; L293-M327 HydrophobicContact CD1-SD 3.69Å; Y306-M327 HydrophobicContact CD2-CE 4.28Å; L309-M327 HydrophobicContact CD1-SD 3.65Å; Q323-M327 VanDerWaalsContact O-CG 3.31Å; Q323-M327 WeakPolarHBondContact O-CG 3.33Å; Q323-M327 PolarHBondContact O-N 2.84Å; L324-M327 HydrophobicContact CD2-SD 4.15Å; L324-M327 PolarHBondContact O-N 3.02Å; M327-Y329 VanDerWaalsContact C-N 3.34Å; M327-G331 CarbonylContact O-C 3.47Å; M327-G331 VanDerWaalsContact O-CA 3.3Å; M327-G331 WeakPolarHBondContact O-CA 3.42Å; M327-G331 PolarHBondContact O-N 3.16Å; M327-L332 WeakPolarHBondContact CE-O 3.42Å; M327-L332 HydrophobicContact CG-CB 4.35Å; M327-L332 PolarHBondContact O-N 3.47Å; M327-V334 HydrophobicContact CB-CG2 4.17Å; M327-V334 HydrophobicContact CE-CG2 3.88Å
328	F	96.3	Very high	92.9	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-27.7	176.3	-73.6	-61.4	0	0	0	113.4	Y306 L324 V334 E336 D337 M340 A341 Y344	Y306-F328 HydrophobicContact CE2-CE2 4.37Å; Y306-F328 AromaticContact CE2-CZ 3.88Å; Y306-F328 HydrophobicContact CE2-CZ 3.88Å; L324-F328 WeakPolarHBondContact O-CD2 3.34Å; L324-F328 PolarHBondContact O-N 3.27Å; F328-V334 HydrophobicContact CD1-CB 4.25Å; F328-V334 HydrophobicContact CD1-CG1 4.48Å; F328-V334 HydrophobicContact CE1-CB 3.91Å; F328-V334 HydrophobicContact CE1-CG1 3.69Å; F328-V334 HydrophobicContact CE1-CG2 4.34Å; F328-V334 HydrophobicContact CZ-CG1 4.25Å; F328-E336 WeakPolarHBondContact O-CA 3.44Å; F328-D337 HydrophobicContact CD1-CB 4.26Å; F328-D337 PolarHBondContact O-N 3.02Å; F328-M340 HydrophobicContact CB-CB 4.35Å; F328-M340 HydrophobicContact CD1-CB 4.21Å; F328-M340 HydrophobicContact CD1-CE 3.64Å; F328-M340 HydrophobicContact CD1-SD 4.45Å; F328-M340 HydrophobicContact CD2-CB 3.95Å; F328-M340 HydrophobicContact CE1-CE 3.21Å; F328-M340 HydrophobicContact CE1-SD 3.92Å; F328-M340 HydrophobicContact CE2-CB 4.32Å; F328-M340 HydrophobicContact CE2-SD 4.26Å; F328-M340 HydrophobicContact CG-CB 3.91Å; F328-M340 HydrophobicContact CG-CE 4.47Å; F328-M340 HydrophobicContact CZ-CE 3.74Å; F328-M340 HydrophobicContact CZ-SD 3.81Å; F328-A341 HydrophobicContact CB-CB 3.99Å; F328-Y344 AromaticContact CD2-CD2 3.88Å; F328-Y344 HydrophobicContact CD2-CD2 3.88Å; F328-Y344 AromaticContact CD2-CE2 3.89Å; F328-Y344 HydrophobicContact CD2-CE2 3.89Å; F328-Y344 HydrophobicContact CE2-CD2 4.02Å; F328-Y344 AromaticContact CE2-CE2 3.53Å; F328-Y344 HydrophobicContact CE2-CE2 3.53Å
329	Y	94.4	Very high	93.2	Very high	46 Å²	46	38.6 Å²	38.6	18%	0.18	23%	0.229	C	C	.	.	H	α-helix	trans	-73	-38.9	178.1	-175.8	-95.7	0	0	0	112.5	G325 L326 M327 F338 F345 M363 L368	G325-Y329 WeakPolarHBondContact O-CB 3.3Å; G325-Y329 PolarHBondContact O-N 3.25Å; L326-Y329 PolarHBondContact O-N 3.39Å; M327-Y329 VanDerWaalsContact C-N 3.34Å; Y329-F338 HydrophobicContact CD2-CD1 4.03Å; Y329-F338 HydrophobicContact CD2-CE1 4.17Å; Y329-F338 HydrophobicContact CE2-CD1 4.33Å; Y329-F338 HydrophobicContact CE2-CE1 4.28Å; Y329-F345 HydrophobicContact CD2-CE2 4.39Å; Y329-M363 HydrophobicContact CD2-CG 4.19Å; Y329-M363 HydrophobicContact CD2-SD 4.2Å; Y329-M363 HydrophobicContact CE2-CG 3.82Å; Y329-M363 HydrophobicContact CE2-SD 4.43Å; Y329-L368 HydrophobicContact CE2-CD1 3.81Å
330	H	92.1	Very high	93.4	Very high	105 Å²	105	41.1 Å²	41.1	49%	0.486	24%	0.241	S	C	.	.	H	α-helix	trans	-103.7	-6.7	-177.8	-69.2	-60.7	0	0	0	114.7	L326 L332	L326-H330 PolarHBondContact O-N 2.84Å; H330-L332 HydrophobicContact CB-CD1 4.29Å; H330-L332 HydrophobicContact CB-CD2 4.47Å; H330-L332 HydrophobicContact CB-CG 3.94Å
331	G	91.8	Very high	93.4	Very high	28 Å²	28	41.1 Å²	41.1	29%	0.289	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	32	-178.1	0	0	0	0	0	114.5	M327 G333 V334	M327-G331 CarbonylContact O-C 3.47Å; M327-G331 VanDerWaalsContact O-CA 3.3Å; M327-G331 WeakPolarHBondContact O-CA 3.42Å; M327-G331 PolarHBondContact O-N 3.16Å; G331-G333 PolarHBondContact O-N 2.99Å; G331-V334 CarbonylContact C-O 3.37Å; G331-V334 WeakPolarHBondContact CA-O 3.45Å
332	L	89.4	Confident	93.4	Very high	59 Å²	59	41.3 Å²	41.3	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	-80.8	97.8	-176.4	-59.7	173.3	0	0	0	110.9	L293 F302 M327 H330 V334	L293-L332 HydrophobicContact CD2-CD1 4.45Å; F302-L332 HydrophobicContact CE1-CB 4.5Å; M327-L332 WeakPolarHBondContact CE-O 3.42Å; M327-L332 HydrophobicContact CG-CB 4.35Å; M327-L332 PolarHBondContact O-N 3.47Å; H330-L332 HydrophobicContact CB-CD1 4.29Å; H330-L332 HydrophobicContact CB-CD2 4.47Å; H330-L332 HydrophobicContact CB-CG 3.94Å; L332-V334 PolarHBondContact O-N 3.32Å; L332-V334 VanDerWaalsContact O-N 3.11Å
333	G	87.7	Confident	93.5	Very high	44 Å²	44	46.4 Å²	46.4	45%	0.454	27%	0.265	S	S	.	.	S	Bend	trans	71.2	-3.4	-179.1	0	0	0	0	0	115.3	G331	G331-G333 PolarHBondContact O-N 2.99Å
334	V	93	Very high	93.6	Very high	36 Å²	36	47.8 Å²	47.8	22%	0.218	27%	0.269	C	S	.	.	S	Bend	trans	-134.2	153.9	174.5	-130.5	0	0	0	0	107.8	Y306 M327 F328 G331 L332	Y306-V334 HydrophobicContact CD2-CG1 4.43Å; Y306-V334 HydrophobicContact CD2-CG2 3.79Å; Y306-V334 HydrophobicContact CE2-CG1 4.15Å; Y306-V334 HydrophobicContact CE2-CG2 4.15Å; M327-V334 HydrophobicContact CB-CG2 4.17Å; M327-V334 HydrophobicContact CE-CG2 3.88Å; F328-V334 HydrophobicContact CD1-CB 4.25Å; F328-V334 HydrophobicContact CD1-CG1 4.48Å; F328-V334 HydrophobicContact CE1-CB 3.91Å; F328-V334 HydrophobicContact CE1-CG1 3.69Å; F328-V334 HydrophobicContact CE1-CG2 4.34Å; F328-V334 HydrophobicContact CZ-CG1 4.25Å; G331-V334 CarbonylContact C-O 3.37Å; G331-V334 WeakPolarHBondContact CA-O 3.45Å; L332-V334 PolarHBondContact O-N 3.32Å; L332-V334 VanDerWaalsContact O-N 3.11Å
335	A	92.8	Very high	93.5	Very high	84 Å²	84	47.8 Å²	47.8	69%	0.694	27%	0.269	S	S	*	.			trans	-63.1	142.7	175.8	0	0	0	0	0	111	D337	A335-D337 PolarHBondContact O-N 3.31Å
336	E	94.2	Very high	93.5	Very high	128 Å²	128	51.6 Å²	51.6	60%	0.598	29%	0.288	S	S	*	.			trans	-58.1	126.1	175.3	-70	-179.6	-177.6	0	0	110.8	F328	F328-E336 WeakPolarHBondContact O-CA 3.44Å
337	D	95	Very high	93.4	Very high	56 Å²	56	53 Å²	53	30%	0.299	30%	0.295	S	S	.	.			trans	-148.3	98	176.8	-173.4	-25.2	0	0	0	110.1	F328 A335 A339 M340 A341	F328-D337 HydrophobicContact CD1-CB 4.26Å; F328-D337 PolarHBondContact O-N 3.02Å; A335-D337 PolarHBondContact O-N 3.31Å; D337-A339 PolarHBondContact O-N 2.71Å; D337-A339 WeakPolarHBondContact OD1-CA 3.37Å; D337-A339 WeakPolarHBondContact OD1-CB 3.04Å; D337-A339 PolarHBondContact OD1-N 2.97Å; D337-M340 HydrophobicContact CB-CB 4.09Å; D337-M340 HydrophobicContact CB-CE 3.68Å; D337-M340 HydrophobicContact CB-CG 4.35Å; D337-M340 PolarHBondContact O-N 2.92Å; D337-M340 PolarHBondContact OD1-N 2.99Å; D337-M340 WeakPolarHBondContact OD2-CE 3.17Å; D337-M340 WeakPolarHBondContact OD2-CG 3.36Å; D337-A341 WeakPolarHBondContact O-CB 3.49Å; D337-A341 PolarHBondContact O-N 3.3Å
338	F	95.2	Very high	93.2	Very high	69 Å²	69	53 Å²	53	30%	0.303	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-27.8	178.7	-58	-55.3	0	0	0	113.2	Y329 L342 M363 L368	Y329-F338 HydrophobicContact CD2-CD1 4.03Å; Y329-F338 HydrophobicContact CD2-CE1 4.17Å; Y329-F338 HydrophobicContact CE2-CD1 4.33Å; Y329-F338 HydrophobicContact CE2-CE1 4.28Å; F338-L342 VanDerWaalsContact O-CB 3.22Å; F338-L342 WeakPolarHBondContact O-CB 3.31Å; F338-L342 PolarHBondContact O-N 2.93Å; F338-M363 HydrophobicContact CB-CE 4.05Å; F338-M363 VanDerWaalsContact O-CE 3.29Å; F338-M363 WeakPolarHBondContact O-CE 3.22Å; F338-L368 HydrophobicContact CD1-CB 4.33Å; F338-L368 HydrophobicContact CE1-CD1 4.41Å; F338-L368 HydrophobicContact CE2-CD2 4.3Å; F338-L368 HydrophobicContact CG-CB 4.27Å; F338-L368 HydrophobicContact CZ-CD2 4.38Å
339	A	94.5	Very high	92.7	Very high	62 Å²	62	54.1 Å²	54.1	51%	0.512	30%	0.303	S	S	.	.	H	α-helix	trans	-71.3	-41	177.9	0	0	0	0	0	110.8	D337 K343	D337-A339 PolarHBondContact O-N 2.71Å; D337-A339 WeakPolarHBondContact OD1-CA 3.37Å; D337-A339 WeakPolarHBondContact OD1-CB 3.04Å; D337-A339 PolarHBondContact OD1-N 2.97Å; A339-K343 PolarHBondContact O-N 3.22Å; A339-K343 VanDerWaalsContact O-N 3.1Å
340	M	94	Very high	92.3	Very high	70 Å²	70	59.3 Å²	59.3	35%	0.345	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-43.5	172	-74.4	-159.4	-77.7	0	0	112.1	F328 D337 L342 K343 Y344	F328-M340 HydrophobicContact CB-CB 4.35Å; F328-M340 HydrophobicContact CD1-CB 4.21Å; F328-M340 HydrophobicContact CD1-CE 3.64Å; F328-M340 HydrophobicContact CD1-SD 4.45Å; F328-M340 HydrophobicContact CD2-CB 3.95Å; F328-M340 HydrophobicContact CE1-CE 3.21Å; F328-M340 HydrophobicContact CE1-SD 3.92Å; F328-M340 HydrophobicContact CE2-CB 4.32Å; F328-M340 HydrophobicContact CE2-SD 4.26Å; F328-M340 HydrophobicContact CG-CB 3.91Å; F328-M340 HydrophobicContact CG-CE 4.47Å; F328-M340 HydrophobicContact CZ-CE 3.74Å; F328-M340 HydrophobicContact CZ-SD 3.81Å; D337-M340 HydrophobicContact CB-CB 4.09Å; D337-M340 HydrophobicContact CB-CE 3.68Å; D337-M340 HydrophobicContact CB-CG 4.35Å; D337-M340 PolarHBondContact O-N 2.92Å; D337-M340 PolarHBondContact OD1-N 2.99Å; D337-M340 WeakPolarHBondContact OD2-CE 3.17Å; D337-M340 WeakPolarHBondContact OD2-CG 3.36Å; M340-L342 VanDerWaalsContact C-N 3.32Å; M340-L342 PolarHBondContact O-N 3.45Å; M340-K343 WeakPolarHBondContact O-CB 3.25Å; M340-K343 PolarHBondContact O-N 2.72Å; M340-K343 VanDerWaalsContact O-N 3.15Å; M340-Y344 VanDerWaalsContact O-CD2 3.24Å; M340-Y344 WeakPolarHBondContact O-CD2 3.47Å; M340-Y344 PolarHBondContact O-N 2.75Å
341	A	95.4	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55.7	-48.2	175.8	0	0	0	0	0	111.5	G325 F328 D337 K343 Y344 F345 M363	G325-A341 WeakPolarHBondContact O-CB 3.49Å; F328-A341 HydrophobicContact CB-CB 3.99Å; D337-A341 WeakPolarHBondContact O-CB 3.49Å; D337-A341 PolarHBondContact O-N 3.3Å; A341-K343 VanDerWaalsContact C-N 3.34Å; A341-K343 PolarHBondContact O-N 3.23Å; A341-Y344 PolarHBondContact O-N 3.46Å; A341-F345 HydrophobicContact CB-CD2 4.42Å; A341-F345 HydrophobicContact CB-CE2 4.1Å; A341-F345 WeakPolarHBondContact O-CD2 2.98Å; A341-F345 WeakPolarHBondContact O-CG 3.4Å; A341-F345 PolarHBondContact O-N 3.16Å; A341-M363 HydrophobicContact CB-CE 4.35Å; A341-M363 HydrophobicContact CB-SD 4.48Å
342	L	93.6	Very high	90.9	Very high	22 Å²	22	57.5 Å²	57.5	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-44.6	176.6	-178.6	153	0	0	0	112	F338 M340 Y344 F345 Q346 L360 M363 V370	F338-L342 VanDerWaalsContact O-CB 3.22Å; F338-L342 WeakPolarHBondContact O-CB 3.31Å; F338-L342 PolarHBondContact O-N 2.93Å; M340-L342 VanDerWaalsContact C-N 3.32Å; M340-L342 PolarHBondContact O-N 3.45Å; L342-Y344 PolarHBondContact O-N 2.9Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-Q346 HydrophobicContact CD2-CG 4.03Å; L342-Q346 HydrophobicContact CG-CG 4.48Å; L342-Q346 WeakPolarHBondContact O-CB 3.33Å; L342-Q346 VanDerWaalsContact O-CG 3.28Å; L342-Q346 WeakPolarHBondContact O-CG 3.09Å; L342-Q346 PolarHBondContact O-N 2.87Å; L342-L360 HydrophobicContact CG-CD2 4.44Å; L342-M363 HydrophobicContact CB-CE 3.81Å; L342-M363 HydrophobicContact CB-SD 4.38Å; L342-V370 HydrophobicContact CD1-CB 3.51Å; L342-V370 HydrophobicContact CD1-CG1 3.87Å; L342-V370 HydrophobicContact CD1-CG2 4.22Å
343	K	94.5	Very high	90.5	Very high	117 Å²	117	54.9 Å²	54.9	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-48.2	177.7	177.7	-170.2	172.5	-166.8	0	111.1	A339 M340 A341 Q346 L347	A339-K343 PolarHBondContact O-N 3.22Å; A339-K343 VanDerWaalsContact O-N 3.1Å; M340-K343 WeakPolarHBondContact O-CB 3.25Å; M340-K343 PolarHBondContact O-N 2.72Å; M340-K343 VanDerWaalsContact O-N 3.15Å; A341-K343 VanDerWaalsContact C-N 3.34Å; A341-K343 PolarHBondContact O-N 3.23Å; K343-Q346 PolarHBondContact O-N 3Å; K343-L347 WeakPolarHBondContact O-CG 3.41Å; K343-L347 PolarHBondContact O-N 2.72Å; K343-L347 VanDerWaalsContact O-N 3.11Å
344	Y	95.3	Very high	90.2	Very high	40 Å²	40	52.9 Å²	52.9	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-68.9	-41.9	-179	-79	-68.6	0	0	0	112.6	A313 Q321 L324 F328 M340 A341 L342 Q346 L347 A348	A313-Y344 HydrophobicContact CB-CE1 4.29Å; Q321-Y344 HydrophobicContact CB-CD1 4.37Å; Q321-Y344 HydrophobicContact CG-CD1 4.35Å; Q321-Y344 WeakPolarHBondContact O-CB 3.37Å; L324-Y344 HydrophobicContact CB-CD1 4.09Å; L324-Y344 HydrophobicContact CB-CD2 4.11Å; L324-Y344 HydrophobicContact CB-CE1 4.23Å; L324-Y344 HydrophobicContact CB-CE2 4.28Å; L324-Y344 HydrophobicContact CB-CG 4.04Å; L324-Y344 HydrophobicContact CD1-CD1 4.14Å; L324-Y344 HydrophobicContact CD1-CE1 3.59Å; F328-Y344 AromaticContact CD2-CD2 3.88Å; F328-Y344 HydrophobicContact CD2-CD2 3.88Å; F328-Y344 AromaticContact CD2-CE2 3.89Å; F328-Y344 HydrophobicContact CD2-CE2 3.89Å; F328-Y344 HydrophobicContact CE2-CD2 4.02Å; F328-Y344 AromaticContact CE2-CE2 3.53Å; F328-Y344 HydrophobicContact CE2-CE2 3.53Å; M340-Y344 VanDerWaalsContact O-CD2 3.24Å; M340-Y344 WeakPolarHBondContact O-CD2 3.47Å; M340-Y344 PolarHBondContact O-N 2.75Å; A341-Y344 PolarHBondContact O-N 3.46Å; L342-Y344 PolarHBondContact O-N 2.9Å; Y344-Q346 VanDerWaalsContact C-N 3.33Å; Y344-Q346 PolarHBondContact O-N 3.14Å; Y344-L347 PolarHBondContact O-N 3.15Å; Y344-A348 PolarHBondContact O-N 3.06Å
345	F	93	Very high	89.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-35	175	-63.4	-45.8	0	0	0	112.6	L322 L326 Y329 A341 L342 A348 S349 N359 L360 M363	L322-F345 HydrophobicContact CD1-CD1 3.97Å; L322-F345 HydrophobicContact CD1-CE1 3.91Å; L326-F345 HydrophobicContact CD2-CE1 4.32Å; L326-F345 HydrophobicContact CD2-CZ 4.02Å; L326-F345 HydrophobicContact CG-CE1 4.12Å; L326-F345 HydrophobicContact CG-CZ 4.18Å; Y329-F345 HydrophobicContact CD2-CE2 4.39Å; A341-F345 HydrophobicContact CB-CD2 4.42Å; A341-F345 HydrophobicContact CB-CE2 4.1Å; A341-F345 WeakPolarHBondContact O-CD2 2.98Å; A341-F345 WeakPolarHBondContact O-CG 3.4Å; A341-F345 PolarHBondContact O-N 3.16Å; L342-F345 PolarHBondContact O-N 2.9Å; F345-A348 PolarHBondContact O-N 2.93Å; F345-S349 VanDerWaalsContact O-CB 3.28Å; F345-S349 WeakPolarHBondContact O-CB 3.36Å; F345-S349 PolarHBondContact O-N 2.71Å; F345-S349 PolarHBondContact O-OG 2.82Å; F345-N359 HydrophobicContact CD1-CB 4.05Å; F345-N359 HydrophobicContact CD2-CB 4.05Å; F345-N359 HydrophobicContact CE1-CB 3.79Å; F345-N359 HydrophobicContact CE2-CB 3.79Å; F345-N359 HydrophobicContact CG-CB 4.19Å; F345-N359 HydrophobicContact CZ-CB 3.65Å; F345-L360 HydrophobicContact CB-CD1 4.31Å; F345-L360 HydrophobicContact CB-CD2 3.58Å; F345-L360 HydrophobicContact CB-CG 3.61Å; F345-M363 HydrophobicContact CD2-SD 3.57Å; F345-M363 VanDerWaalsContact CD2-SD 3.57Å; F345-M363 HydrophobicContact CE2-SD 3.77Å
346	Q	92.6	Very high	89.6	Confident	81 Å²	81	49.6 Å²	49.6	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-44.8	172.7	-79.6	-176.5	-12.9	0	0	111.7	L342 K343 Y344 S349 Q350 L360	L342-Q346 HydrophobicContact CD2-CG 4.03Å; L342-Q346 HydrophobicContact CG-CG 4.48Å; L342-Q346 WeakPolarHBondContact O-CB 3.33Å; L342-Q346 VanDerWaalsContact O-CG 3.28Å; L342-Q346 WeakPolarHBondContact O-CG 3.09Å; L342-Q346 PolarHBondContact O-N 2.87Å; K343-Q346 PolarHBondContact O-N 3Å; Y344-Q346 VanDerWaalsContact C-N 3.33Å; Y344-Q346 PolarHBondContact O-N 3.14Å; Q346-S349 PolarHBondContact O-N 3.16Å; Q346-S349 PolarHBondContact O-OG 3.14Å; Q346-Q350 WeakPolarHBondContact O-CG 3.38Å; Q346-Q350 PolarHBondContact O-N 3.3Å; Q346-Q350 VanDerWaalsContact O-N 3.13Å; Q346-L360 HydrophobicContact CG-CD1 4.24Å; Q346-L360 HydrophobicContact CG-CD2 3.99Å
347	L	92.1	Very high	89.3	Confident	64 Å²	64	44.8 Å²	44.8	34%	0.335	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-47.2	175	-69	170.8	0	0	0	111.4	Q321 K343 Y344 S349 Q350	Q321-L347 HydrophobicContact CG-CB 4.44Å; K343-L347 WeakPolarHBondContact O-CG 3.41Å; K343-L347 PolarHBondContact O-N 2.72Å; K343-L347 VanDerWaalsContact O-N 3.11Å; Y344-L347 PolarHBondContact O-N 3.15Å; L347-S349 PolarHBondContact O-N 3.36Å; L347-Q350 PolarHBondContact O-N 2.84Å
348	A	89.6	Confident	88.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-37.4	178	0	0	0	0	0	112.2	V318 Q321 Y344 F345 Q350 S351 S353 A356	V318-A348 HydrophobicContact CG1-CB 4.12Å; Q321-A348 HydrophobicContact CB-CB 4.06Å; Y344-A348 PolarHBondContact O-N 3.06Å; F345-A348 PolarHBondContact O-N 2.93Å; A348-Q350 VanDerWaalsContact C-N 3.32Å; A348-Q350 PolarHBondContact O-N 2.85Å; A348-S351 PolarHBondContact O-N 3.46Å; A348-S351 PolarHBondContact O-OG 3.09Å; A348-S353 PolarHBondContact O-N 3.47Å; A348-A356 HydrophobicContact CB-CB 3.48Å; A348-A356 VanDerWaalsContact CB-CB 3.48Å
349	S	86.4	Confident	88.6	Confident	25 Å²	25	42 Å²	42	18%	0.175	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-31.8	178	76.4	0	0	0	0	113.2	F345 Q346 L347 S351 G352 M357	F345-S349 VanDerWaalsContact O-CB 3.28Å; F345-S349 WeakPolarHBondContact O-CB 3.36Å; F345-S349 PolarHBondContact O-N 2.71Å; F345-S349 PolarHBondContact O-OG 2.82Å; Q346-S349 PolarHBondContact O-N 3.16Å; Q346-S349 PolarHBondContact O-OG 3.14Å; L347-S349 PolarHBondContact O-N 3.36Å; S349-S351 PolarHBondContact O-N 3.43Å; S349-G352 PolarHBondContact O-N 3.34Å; S349-M357 VanDerWaalsContact O-CE 3.25Å; S349-M357 WeakPolarHBondContact O-CE 3.24Å
350	Q	85.6	Confident	88.4	Confident	156 Å²	156	39.8 Å²	39.8	73%	0.729	20%	0.203	S	C	*	.	H	α-helix	trans	-65.2	-25.4	177.7	-73.5	172.3	15.9	0	0	112.4	Q346 L347 A348 G352	Q346-Q350 WeakPolarHBondContact O-CG 3.38Å; Q346-Q350 PolarHBondContact O-N 3.3Å; Q346-Q350 VanDerWaalsContact O-N 3.13Å; L347-Q350 PolarHBondContact O-N 2.84Å; A348-Q350 VanDerWaalsContact C-N 3.32Å; A348-Q350 PolarHBondContact O-N 2.85Å; Q350-G352 VanDerWaalsContact C-N 3.31Å
351	S	79.2	Confident	88	Confident	69 Å²	69	36.6 Å²	36.6	48%	0.483	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	174	76.7	0	0	0	0	114	V318 A348 S349	V318-S351 WeakPolarHBondContact CG1-OG 3.22Å; V318-S351 WeakPolarHBondContact CG2-OG 3.36Å; A348-S351 PolarHBondContact O-N 3.46Å; A348-S351 PolarHBondContact O-OG 3.09Å; S349-S351 PolarHBondContact O-N 3.43Å
352	G	74.9	Confident	87.5	Confident	25 Å²	25	38.5 Å²	38.5	26%	0.258	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	10.4	-178.6	0	0	0	0	0	115.5	S349 Q350 V354	S349-G352 PolarHBondContact O-N 3.34Å; Q350-G352 VanDerWaalsContact C-N 3.31Å; G352-V354 PolarHBondContact O-N 2.99Å
353	S	82.1	Confident	87.3	Confident	5 Å²	5	37.5 Å²	37.5	4%	0.035	19%	0.191	C	C	.	.			trans	-62.8	118.1	177.3	175.5	0	0	0	0	111.8	A348 A356 M357	A348-S353 PolarHBondContact O-N 3.47Å; S353-A356 PolarHBondContact O-N 3.1Å; S353-A356 PolarHBondContact OG-N 3.33Å; S353-M357 WeakPolarHBondContact O-CG 3.49Å; S353-M357 PolarHBondContact O-N 3.03Å; S353-M357 VanDerWaalsContact O-N 3.16Å
354	V	82.1	Confident	87	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-42.4	179	-176.7	0	0	0	0	110.9	V159 G352 A356 M357 Y358 V381 R384	V159-V354 HydrophobicContact CG1-CG1 3.69Å; G352-V354 PolarHBondContact O-N 2.99Å; V354-A356 PolarHBondContact O-N 2.77Å; V354-M357 PolarHBondContact O-N 3.35Å; V354-Y358 PolarHBondContact O-N 3.4Å; V354-V381 HydrophobicContact CG1-CG1 4.21Å; V354-R384 HydrophobicContact CG2-CB 4.45Å
355	F	84.4	Confident	86.5	Confident	50 Å²	50	31.8 Å²	31.8	22%	0.219	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-39.5	175.9	-89.6	-70.9	0	0	0	113.1	A160 T163 L322 M357 Y358 N359	A160-F355 HydrophobicContact CB-CE1 4.14Å; A160-F355 VanDerWaalsContact O-CZ 3.22Å; A160-F355 WeakPolarHBondContact O-CZ 3.47Å; T163-F355 HydrophobicContact CG2-CD2 3.67Å; T163-F355 HydrophobicContact CG2-CE2 3.53Å; T163-F355 WeakPolarHBondContact O-CE2 3.47Å; T163-F355 WeakPolarHBondContact O-CZ 3.48Å; L322-F355 HydrophobicContact CD1-CB 4.07Å; L322-F355 HydrophobicContact CD2-CB 3.75Å; L322-F355 HydrophobicContact CD2-CG 4.48Å; F355-M357 VanDerWaalsContact C-N 3.32Å; F355-M357 PolarHBondContact O-N 2.94Å; F355-Y358 WeakPolarHBondContact O-CB 3.4Å; F355-Y358 PolarHBondContact O-N 3.25Å; F355-N359 PolarHBondContact O-N 3.18Å; F355-N359 PolarHBondContact O-ND2 2.96Å; F355-N359 VanDerWaalsContact O-ND2 3.14Å
356	A	87.8	Confident	86.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-41.4	175.9	0	0	0	0	0	111.3	L322 A348 S353 V354 Y358 N359 L360	L322-A356 HydrophobicContact CD1-CB 4.06Å; A348-A356 HydrophobicContact CB-CB 3.48Å; A348-A356 VanDerWaalsContact CB-CB 3.48Å; S353-A356 PolarHBondContact O-N 3.1Å; S353-A356 PolarHBondContact OG-N 3.33Å; V354-A356 PolarHBondContact O-N 2.77Å; A356-Y358 VanDerWaalsContact C-N 3.35Å; A356-N359 PolarHBondContact O-N 3.28Å; A356-L360 WeakPolarHBondContact O-CB 3.31Å; A356-L360 WeakPolarHBondContact O-CG 3.05Å; A356-L360 PolarHBondContact O-N 3.26Å
357	M	87.2	Confident	86	Confident	27 Å²	27	34.2 Å²	34.2	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-37.4	175	-65.4	179.4	-164.7	0	0	112.2	S349 S353 V354 F355 G361 V381 R384	S349-M357 VanDerWaalsContact O-CE 3.25Å; S349-M357 WeakPolarHBondContact O-CE 3.24Å; S353-M357 WeakPolarHBondContact O-CG 3.49Å; S353-M357 PolarHBondContact O-N 3.03Å; S353-M357 VanDerWaalsContact O-N 3.16Å; V354-M357 PolarHBondContact O-N 3.35Å; F355-M357 VanDerWaalsContact C-N 3.32Å; F355-M357 PolarHBondContact O-N 2.94Å; M357-G361 PolarHBondContact O-N 2.94Å; M357-V381 VanDerWaalsContact C-CG2 3.49Å; M357-V381 HydrophobicContact CB-CG2 3.75Å; M357-R384 PolarHBondContact SD-NE 2.72Å
358	Y	87.8	Confident	85.7	Confident	44 Å²	44	33.4 Å²	33.4	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-51.7	173.5	178.2	-93.8	0	0	0	111.4	A156 D157 A160 V354 F355 A356 L360 G361 Q362 V381	A156-Y358 HydrophobicContact CB-CD2 3.99Å; A156-Y358 HydrophobicContact CB-CE2 4.11Å; D157-Y358 WeakPolarHBondContact OD1-CE2 3.14Å; D157-Y358 VanDerWaalsContact OD1-CZ 3.27Å; D157-Y358 PolarHBondContact OD1-OH 3.09Å; A160-Y358 HydrophobicContact CB-CD2 4.02Å; A160-Y358 HydrophobicContact CB-CE2 4.22Å; A160-Y358 HydrophobicContact CB-CG 4.18Å; V354-Y358 PolarHBondContact O-N 3.4Å; F355-Y358 WeakPolarHBondContact O-CB 3.4Å; F355-Y358 PolarHBondContact O-N 3.25Å; A356-Y358 VanDerWaalsContact C-N 3.35Å; Y358-L360 PolarHBondContact O-N 3.25Å; Y358-G361 WeakPolarHBondContact O-CA 3.36Å; Y358-G361 PolarHBondContact O-N 3.27Å; Y358-Q362 HydrophobicContact CD1-CG 4.39Å; Y358-Q362 HydrophobicContact CE1-CG 3.96Å; Y358-Q362 WeakPolarHBondContact O-CG 3.49Å; Y358-Q362 PolarHBondContact O-N 2.98Å; Y358-Q362 PolarHBondContact OH-NE2 3.02Å; Y358-Q362 VanDerWaalsContact OH-NE2 3.14Å; Y358-V381 HydrophobicContact CD2-CG1 4.36Å
359	N	89.2	Confident	85.5	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-41.8	179	-70.3	-42.4	0	0	0	112.3	F345 F355 A356 G361 Q362 M363	F345-N359 HydrophobicContact CD1-CB 4.05Å; F345-N359 HydrophobicContact CD2-CB 4.05Å; F345-N359 HydrophobicContact CE1-CB 3.79Å; F345-N359 HydrophobicContact CE2-CB 3.79Å; F345-N359 HydrophobicContact CG-CB 4.19Å; F345-N359 HydrophobicContact CZ-CB 3.65Å; F355-N359 PolarHBondContact O-N 3.18Å; F355-N359 PolarHBondContact O-ND2 2.96Å; F355-N359 VanDerWaalsContact O-ND2 3.14Å; A356-N359 PolarHBondContact O-N 3.28Å; N359-G361 PolarHBondContact O-N 2.98Å; N359-Q362 PolarHBondContact O-N 3.46Å; N359-M363 WeakPolarHBondContact O-CG 3.47Å; N359-M363 PolarHBondContact O-N 3.01Å
360	L	88.9	Confident	85.6	Confident	14 Å²	14	36.7 Å²	36.7	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-39.3	170.3	-76.3	174.7	0	0	0	111.8	L342 F345 Q346 A356 Y358 M363 H364	L342-L360 HydrophobicContact CG-CD2 4.44Å; F345-L360 HydrophobicContact CB-CD1 4.31Å; F345-L360 HydrophobicContact CB-CD2 3.58Å; F345-L360 HydrophobicContact CB-CG 3.61Å; Q346-L360 HydrophobicContact CG-CD1 4.24Å; Q346-L360 HydrophobicContact CG-CD2 3.99Å; A356-L360 WeakPolarHBondContact O-CB 3.31Å; A356-L360 WeakPolarHBondContact O-CG 3.05Å; A356-L360 PolarHBondContact O-N 3.26Å; Y358-L360 PolarHBondContact O-N 3.25Å; L360-M363 PolarHBondContact O-N 3.25Å; L360-H364 WeakPolarHBondContact O-CB 3.4Å; L360-H364 PolarHBondContact O-CD2 2.95Å; L360-H364 PolarHBondContact O-N 3.42Å
361	G	86.3	Confident	85.5	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-46.5	177	0	0	0	0	0	112.8	M357 Y358 N359 H364 S365 A377	M357-G361 PolarHBondContact O-N 2.94Å; Y358-G361 WeakPolarHBondContact O-CA 3.36Å; Y358-G361 PolarHBondContact O-N 3.27Å; N359-G361 PolarHBondContact O-N 2.98Å; G361-H364 PolarHBondContact O-N 3.14Å; G361-S365 WeakPolarHBondContact O-CB 3.29Å; G361-S365 PolarHBondContact O-N 3.27Å; G361-S365 PolarHBondContact O-OG 3.01Å; G361-A377 WeakPolarHBondContact CA-O 3.36Å; G361-A377 WeakPolarHBondContact O-CB 3.27Å
362	Q	85.9	Confident	85.9	Confident	41 Å²	41	38.5 Å²	38.5	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-45.3	174.6	-62	-66.9	52.3	0	0	111	Y358 N359 H364 S365 L366	Y358-Q362 HydrophobicContact CD1-CG 4.39Å; Y358-Q362 HydrophobicContact CE1-CG 3.96Å; Y358-Q362 WeakPolarHBondContact O-CG 3.49Å; Y358-Q362 PolarHBondContact O-N 2.98Å; Y358-Q362 PolarHBondContact OH-NE2 3.02Å; Y358-Q362 VanDerWaalsContact OH-NE2 3.14Å; N359-Q362 PolarHBondContact O-N 3.46Å; Q362-H364 PolarHBondContact O-N 2.94Å; Q362-S365 WeakPolarHBondContact CA-OG 3.49Å; Q362-S365 PolarHBondContact O-N 3.33Å; Q362-S365 PolarHBondContact O-OG 3.38Å; Q362-L366 WeakPolarHBondContact O-CB 3.34Å; Q362-L366 WeakPolarHBondContact O-CG 3.23Å; Q362-L366 PolarHBondContact O-N 3.1Å
363	M	89.3	Confident	86.2	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-44	175.1	-67.3	-174.9	76.4	0	0	112.9	Y329 F338 A341 L342 F345 N359 L360 G367 L368	Y329-M363 HydrophobicContact CD2-CG 4.19Å; Y329-M363 HydrophobicContact CD2-SD 4.2Å; Y329-M363 HydrophobicContact CE2-CG 3.82Å; Y329-M363 HydrophobicContact CE2-SD 4.43Å; F338-M363 HydrophobicContact CB-CE 4.05Å; F338-M363 VanDerWaalsContact O-CE 3.29Å; F338-M363 WeakPolarHBondContact O-CE 3.22Å; A341-M363 HydrophobicContact CB-CE 4.35Å; A341-M363 HydrophobicContact CB-SD 4.48Å; L342-M363 HydrophobicContact CB-CE 3.81Å; L342-M363 HydrophobicContact CB-SD 4.38Å; F345-M363 HydrophobicContact CD2-SD 3.57Å; F345-M363 VanDerWaalsContact CD2-SD 3.57Å; F345-M363 HydrophobicContact CE2-SD 3.77Å; N359-M363 WeakPolarHBondContact O-CG 3.47Å; N359-M363 PolarHBondContact O-N 3.01Å; L360-M363 PolarHBondContact O-N 3.25Å; M363-G367 WeakPolarHBondContact O-CA 3.1Å; M363-G367 PolarHBondContact O-N 3.29Å; M363-L368 HydrophobicContact CE-CB 4.37Å; M363-L368 WeakPolarHBondContact CE-O 3.5Å; M363-L368 PolarHBondContact O-N 2.84Å
364	H	87.5	Confident	85.9	Confident	33 Å²	33	42.1 Å²	42.1	15%	0.153	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-33	177.4	-80.7	-62.6	0	0	0	113.2	L360 G361 Q362 V370 R372 N373 A377	L360-H364 WeakPolarHBondContact O-CB 3.4Å; L360-H364 PolarHBondContact O-CD2 2.95Å; L360-H364 PolarHBondContact O-N 3.42Å; G361-H364 PolarHBondContact O-N 3.14Å; Q362-H364 PolarHBondContact O-N 2.94Å; H364-V370 WeakPolarHBondContact ND1-CG1 3.38Å; H364-R372 VanDerWaalsContact O-CA 3.26Å; H364-R372 WeakPolarHBondContact O-CA 3.44Å; H364-N373 PolarHBondContact O-N 2.85Å; H364-A377 HydrophobicContact CB-CB 3.9Å
365	S	84.8	Confident	85.4	Confident	5 Å²	5	48 Å²	48	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-73	-37.9	178.6	71.7	0	0	0	0	112.1	R153 G361 Q362 R372	R153-S365 VanDerWaalsContact NH2-CB 3.3Å; R153-S365 PolarHBondContact NH2-OG 3.39Å; G361-S365 WeakPolarHBondContact O-CB 3.29Å; G361-S365 PolarHBondContact O-N 3.27Å; G361-S365 PolarHBondContact O-OG 3.01Å; Q362-S365 WeakPolarHBondContact CA-OG 3.49Å; Q362-S365 PolarHBondContact O-N 3.33Å; Q362-S365 PolarHBondContact O-OG 3.38Å; S365-R372 WeakPolarHBondContact O-CD 3.22Å; S365-R372 PolarHBondContact O-NE 3.43Å
366	L	86.9	Confident	84.7	Confident	102 Å²	102	48.2 Å²	48.2	53%	0.534	26%	0.264	S	S	.	.	H	α-helix	trans	-87.4	-19.5	179.9	-64.1	175.1	0	0	0	113	Q362 L368	Q362-L366 WeakPolarHBondContact O-CB 3.34Å; Q362-L366 WeakPolarHBondContact O-CG 3.23Å; Q362-L366 PolarHBondContact O-N 3.1Å; L366-L368 HydrophobicContact CB-CD1 4.07Å; L366-L368 HydrophobicContact CB-CG 3.85Å; L366-L368 HydrophobicContact CD1-CD1 3.84Å
367	G	87.3	Confident	83.5	Confident	30 Å²	30	48.2 Å²	48.2	31%	0.309	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	29	-175.6	0	0	0	0	0	113.9	M363 G369 V370	M363-G367 WeakPolarHBondContact O-CA 3.1Å; M363-G367 PolarHBondContact O-N 3.29Å; G367-G369 PolarHBondContact O-N 3.29Å; G367-V370 CarbonylContact C-O 3.56Å; G367-V370 VanDerWaalsContact C-O 3.24Å; G367-V370 VanDerWaalsContact CA-O 3.23Å; G367-V370 WeakPolarHBondContact CA-O 3.5Å
368	L	87.3	Confident	82.5	Confident	46 Å²	46	47.1 Å²	47.1	24%	0.241	26%	0.259	C	S	.	.	S	Bend	trans	-81.5	110.9	-178.9	-63.2	173.4	0	0	0	110.1	Y329 F338 M363 L366 V370	Y329-L368 HydrophobicContact CE2-CD1 3.81Å; F338-L368 HydrophobicContact CD1-CB 4.33Å; F338-L368 HydrophobicContact CE1-CD1 4.41Å; F338-L368 HydrophobicContact CE2-CD2 4.3Å; F338-L368 HydrophobicContact CG-CB 4.27Å; F338-L368 HydrophobicContact CZ-CD2 4.38Å; M363-L368 HydrophobicContact CE-CB 4.37Å; M363-L368 WeakPolarHBondContact CE-O 3.5Å; M363-L368 PolarHBondContact O-N 2.84Å; L366-L368 HydrophobicContact CB-CD1 4.07Å; L366-L368 HydrophobicContact CB-CG 3.85Å; L366-L368 HydrophobicContact CD1-CD1 3.84Å; L368-V370 PolarHBondContact O-N 2.94Å; L368-V370 VanDerWaalsContact O-N 3.09Å
369	G	84.2	Confident	81.6	Confident	53 Å²	53	46.6 Å²	46.6	55%	0.546	26%	0.258	S	S	.	.	S	Bend	trans	70.5	-3.1	-179.2	0	0	0	0	0	115.4	G367	G367-G369 PolarHBondContact O-N 3.29Å
370	V	88.3	Confident	81.1	Confident	42 Å²	42	48.2 Å²	48.2	26%	0.255	27%	0.267	S	S	.	.	S	Bend	trans	-146.4	155.4	-179.4	61.7	0	0	0	0	111.4	L342 H364 G367 L368 R372	L342-V370 HydrophobicContact CD1-CB 3.51Å; L342-V370 HydrophobicContact CD1-CG1 3.87Å; L342-V370 HydrophobicContact CD1-CG2 4.22Å; H364-V370 WeakPolarHBondContact ND1-CG1 3.38Å; G367-V370 CarbonylContact C-O 3.56Å; G367-V370 VanDerWaalsContact C-O 3.24Å; G367-V370 VanDerWaalsContact CA-O 3.23Å; G367-V370 WeakPolarHBondContact CA-O 3.5Å; L368-V370 PolarHBondContact O-N 2.94Å; L368-V370 VanDerWaalsContact O-N 3.09Å; V370-R372 PolarHBondContact O-N 3.36Å
371	L	85.2	Confident	80.6	Confident	154 Å²	154	47.6 Å²	47.6	81%	0.806	26%	0.264	S	S	*	.			trans	-59.4	130.1	172.4	-171.9	70	0	0	0	110.2	N373	L371-N373 PolarHBondContact O-N 3.46Å
372	R	86.1	Confident	80.3	Confident	109 Å²	109	47.4 Å²	47.4	41%	0.411	26%	0.262	S	S	.	.			trans	-57.4	127.6	177.4	-177	177.5	174.1	-137.6	-15	110.8	E146 H364 S365 V370	E146-R372 IonicContact OE1-CZ 2.74Å; E146-R372 VanDerWaalsContact OE1-CZ 3.27Å; E146-R372 IonicContact OE1-NH1 3.87Å; E146-R372 PolarHBondContact OE1-NH1 3.25Å; E146-R372 IonicContact OE1-NH2 3.16Å; E146-R372 PolarHBondContact OE1-NH2 2.94Å; E146-R372 IonicContact OE2-NH2 3.9Å; E146-R372 PolarHBondContact OE2-NH2 2.67Å; E146-R372 VanDerWaalsContact OE2-NH2 3.14Å; H364-R372 VanDerWaalsContact O-CA 3.26Å; H364-R372 WeakPolarHBondContact O-CA 3.44Å; S365-R372 WeakPolarHBondContact O-CD 3.22Å; S365-R372 PolarHBondContact O-NE 3.43Å; V370-R372 PolarHBondContact O-N 3.36Å
373	N	82.6	Confident	80	Confident	68 Å²	68	48.2 Å²	48.2	36%	0.364	27%	0.266	S	S	.	.			trans	-143.4	113.1	177	-175	-9.9	0	0	0	111	H364 L371 H375 T376 A377	H364-N373 PolarHBondContact O-N 2.85Å; L371-N373 PolarHBondContact O-N 3.46Å; N373-H375 PolarHBondContact OD1-N 2.97Å; N373-H375 VanDerWaalsContact OD1-N 3.1Å; N373-T376 WeakPolarHBondContact CB-OG1 3.42Å; N373-T376 WeakPolarHBondContact ND2-CG2 3.34Å; N373-T376 PolarHBondContact ND2-OG1 2.89Å; N373-A377 VanDerWaalsContact O-CB 3.29Å; N373-A377 WeakPolarHBondContact O-CB 3.21Å; N373-A377 PolarHBondContact O-N 3.45Å
374	C	75.9	Confident	79.5	Confident	37 Å²	37	49.9 Å²	49.9	25%	0.25	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-37.6	-175.7	-42.7	0	0	0	0	113.3	C145 L149	C145-C374 HydrophobicContact CB-CB 3.6Å; C145-C374 WeakPolarHBondContact CB-SG 3.33Å; C145-C374 WeakPolarHBondContact SG-CB 3.26Å; C145-C374 CovalentContact SG-SG 2Å; C145-C374 PolarHBondContact SG-SG 3.48Å; L149-C374 HydrophobicContact CD1-CB 3.91Å; L149-C374 HydrophobicContact CD2-CB 4.25Å; L149-C374 WeakPolarHBondContact CD2-O 3.36Å; L149-C374 HydrophobicContact CG-CB 4.04Å
375	H	70.6	Confident	79.1	Confident	127 Å²	127	48.5 Å²	48.5	59%	0.588	27%	0.267	S	S	*	.	H	α-helix	trans	-70	-43.6	-172.7	-172.7	-46.1	0	0	0	110.9	N373 A377 E379	N373-H375 PolarHBondContact OD1-N 2.97Å; N373-H375 VanDerWaalsContact OD1-N 3.1Å; H375-A377 VanDerWaalsContact C-N 3.33Å; H375-E379 IonicContact CE1-OE2 2.95Å; H375-E379 PolarHBondContact CE1-OE2 2.61Å; H375-E379 IonicContact ND1-OE2 4Å; H375-E379 PolarHBondContact ND1-OE2 3Å; H375-E379 VanDerWaalsContact ND1-OE2 3.16Å; H375-E379 IonicContact NE2-OE2 2.88Å
376	T	69.1	Low	78.7	Confident	53 Å²	53	56.6 Å²	56.6	33%	0.325	30%	0.301	S	S	.	.	H	α-helix	trans	-77.5	-21.5	-178.4	53.4	0	0	0	0	113.1	N373 N380	N373-T376 WeakPolarHBondContact CB-OG1 3.42Å; N373-T376 WeakPolarHBondContact ND2-CG2 3.34Å; N373-T376 PolarHBondContact ND2-OG1 2.89Å; T376-N380 PolarHBondContact O-ND2 2.9Å
377	A	63.4	Low	78.4	Confident	1 Å²	1	54 Å²	54	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-47.4	-168.5	0	0	0	0	0	113	L149 G361 H364 N373 H375	L149-A377 HydrophobicContact CD2-CB 3.98Å; G361-A377 WeakPolarHBondContact CA-O 3.36Å; G361-A377 WeakPolarHBondContact O-CB 3.27Å; H364-A377 HydrophobicContact CB-CB 3.9Å; N373-A377 VanDerWaalsContact O-CB 3.29Å; N373-A377 WeakPolarHBondContact O-CB 3.21Å; N373-A377 PolarHBondContact O-N 3.45Å; H375-A377 VanDerWaalsContact C-N 3.33Å
378	V	65.2	Low	77.8	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-132.2	-20.3	-164.6	-157.5	0	0	0	0	114.8	L149 Y152 R153 A156 N380 V381 A382	L149-V378 HydrophobicContact CD2-CG2 3.67Å; Y152-V378 VanDerWaalsContact O-CG1 3.22Å; Y152-V378 WeakPolarHBondContact O-CG1 2.85Å; R153-V378 HydrophobicContact CG-CG1 4.46Å; R153-V378 HydrophobicContact CG-CG2 4.16Å; A156-V378 HydrophobicContact CB-CG1 3.42Å; A156-V378 VanDerWaalsContact CB-CG1 3.42Å; V378-N380 VanDerWaalsContact C-N 3.28Å; V378-N380 PolarHBondContact O-N 3.14Å; V378-V381 PolarHBondContact O-N 3.2Å; V378-V381 VanDerWaalsContact O-N 3.16Å; V378-A382 WeakPolarHBondContact O-CB 3.39Å; V378-A382 PolarHBondContact O-N 3.03Å
379	E	70.1	Confident	77	Confident	33 Å²	33	53.4 Å²	53.4	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-58	-42.5	177.2	-171.2	178.7	-159	0	0	111.6	Y152 H375 V381 A382 E383	Y152-E379 HydrophobicContact CE1-CG 4.45Å; H375-E379 IonicContact CE1-OE2 2.95Å; H375-E379 PolarHBondContact CE1-OE2 2.61Å; H375-E379 IonicContact ND1-OE2 4Å; H375-E379 PolarHBondContact ND1-OE2 3Å; H375-E379 VanDerWaalsContact ND1-OE2 3.16Å; H375-E379 IonicContact NE2-OE2 2.88Å; E379-V381 VanDerWaalsContact C-N 3.28Å; E379-V381 PolarHBondContact O-N 3.12Å; E379-A382 PolarHBondContact O-N 2.74Å; E379-E383 WeakPolarHBondContact O-CG 3.42Å; E379-E383 PolarHBondContact O-N 3.36Å
380	N	77.3	Confident	76.6	Confident	57 Å²	57	55.5 Å²	55.5	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-35	179.8	-74.2	-42.6	0	0	0	113.4	T376 V378 R384	T376-N380 PolarHBondContact O-ND2 2.9Å; V378-N380 VanDerWaalsContact C-N 3.28Å; V378-N380 PolarHBondContact O-N 3.14Å; N380-R384 PolarHBondContact O-NH1 2.95Å
381	V	79.2	Confident	75.9	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-81.3	-41.3	-179.5	-176.1	0	0	0	0	109.9	A156 V159 V354 M357 Y358 V378 E379 E383 R384	A156-V381 HydrophobicContact CB-CB 4Å; A156-V381 HydrophobicContact CB-CG1 3.75Å; V159-V381 HydrophobicContact CB-CG1 4.5Å; V159-V381 HydrophobicContact CG1-CG1 4.33Å; V354-V381 HydrophobicContact CG1-CG1 4.21Å; M357-V381 VanDerWaalsContact C-CG2 3.49Å; M357-V381 HydrophobicContact CB-CG2 3.75Å; Y358-V381 HydrophobicContact CD2-CG1 4.36Å; V378-V381 PolarHBondContact O-N 3.2Å; V378-V381 VanDerWaalsContact O-N 3.16Å; E379-V381 VanDerWaalsContact C-N 3.28Å; E379-V381 PolarHBondContact O-N 3.12Å; V381-E383 PolarHBondContact O-N 3.38Å; V381-R384 PolarHBondContact O-N 2.86Å
382	A	81	Confident	75.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-29.6	176.2	0	0	0	0	0	112.7	M129 Y152 V155 V378 E379 R384 W387	M129-A382 HydrophobicContact CE-CB 4.2Å; M129-A382 VanDerWaalsContact CE-O 3.27Å; M129-A382 WeakPolarHBondContact CE-O 3.48Å; M129-A382 HydrophobicContact CG-CB 4.25Å; M129-A382 HydrophobicContact SD-CB 4.43Å; Y152-A382 HydrophobicContact CD1-CB 3.64Å; Y152-A382 HydrophobicContact CE1-CB 4.2Å; V155-A382 HydrophobicContact CB-CB 4.15Å; V155-A382 HydrophobicContact CG1-CB 3.79Å; V378-A382 WeakPolarHBondContact O-CB 3.39Å; V378-A382 PolarHBondContact O-N 3.03Å; E379-A382 PolarHBondContact O-N 2.74Å; A382-R384 PolarHBondContact O-N 3.16Å; A382-W387 VanDerWaalsContact O-CE2 3.25Å; A382-W387 WeakPolarHBondContact O-CZ2 3.23Å; A382-W387 PolarHBondContact O-NE1 3.35Å
383	E	78.1	Confident	74.5	Confident	57 Å²	57	53 Å²	53	27%	0.266	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.8	174.4	-73.5	-178.6	170.9	0	0	114.1	R173 E379 V381	R173-E383 IonicContact CZ-OE2 3.17Å; R173-E383 IonicContact NE-OE2 2.64Å; R173-E383 IonicContact NH1-OE2 2.94Å; R173-E383 IonicContact NH2-OE1 2.78Å; R173-E383 IonicContact NH2-OE2 2.81Å; E379-E383 WeakPolarHBondContact O-CG 3.42Å; E379-E383 PolarHBondContact O-N 3.36Å; V381-E383 PolarHBondContact O-N 3.38Å
384	R	79.2	Confident	74	Confident	35 Å²	35	52.6 Å²	52.6	13%	0.132	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14.4	-170.3	-70.3	174.7	165.2	79	-2.7	114.9	V171 V354 M357 N380 V381 A382	V171-R384 HydrophobicContact CB-CB 4.09Å; V171-R384 HydrophobicContact CB-CG 4.22Å; V171-R384 HydrophobicContact CG1-CB 4.25Å; V171-R384 HydrophobicContact CG1-CG 4.22Å; V171-R384 WeakPolarHBondContact CG2-O 3.07Å; V354-R384 HydrophobicContact CG2-CB 4.45Å; M357-R384 PolarHBondContact SD-NE 2.72Å; N380-R384 PolarHBondContact O-NH1 2.95Å; V381-R384 PolarHBondContact O-N 2.86Å; A382-R384 PolarHBondContact O-N 3.16Å
385	G	79.7	Confident	73.8	Confident	4 Å²	4	51.8 Å²	51.8	4%	0.041	26%	0.263	C	S	.	.	S	Bend	trans	-78.3	-180	175.1	0	0	0	0	0	113.6	W387 S388	G385-W387 PolarHBondContact O-N 3.44Å; G385-S388 VanDerWaalsContact O-CB 3.28Å; G385-S388 WeakPolarHBondContact O-CB 3.32Å; G385-S388 PolarHBondContact O-N 3.41Å; G385-S388 PolarHBondContact O-OG 3.01Å
386	K	76.6	Confident	73.8	Confident	175 Å²	175	47.6 Å²	47.6	76%	0.761	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-31.8	-176	-174	178.4	177.6	-176.8	0	114.3	S388 S389	K386-S388 PolarHBondContact O-N 3.12Å; K386-S388 VanDerWaalsContact O-N 3.1Å; K386-S389 WeakPolarHBondContact O-CB 3.24Å; K386-S389 PolarHBondContact O-N 3.25Å; K386-S389 PolarHBondContact O-OG 3.08Å; K386-S389 VanDerWaalsContact O-OG 3.13Å
387	W	79.4	Confident	73.8	Confident	47 Å²	47	46.5 Å²	46.5	18%	0.178	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.1	175.9	46.3	85.7	0	0	0	113.9	P125 L126 M129 V155 V159 A382 G385 S389 M390	P125-W387 HydrophobicContact CB-CE3 4.26Å; P125-W387 HydrophobicContact CB-CH2 3.72Å; P125-W387 HydrophobicContact CB-CZ3 3.47Å; P125-W387 VanDerWaalsContact CB-CZ3 3.47Å; P125-W387 HydrophobicContact CG-CE3 4.07Å; P125-W387 HydrophobicContact CG-CH2 4.31Å; P125-W387 HydrophobicContact CG-CZ3 3.55Å; L126-W387 HydrophobicContact CD2-CB 3.82Å; L126-W387 HydrophobicContact CD2-CD2 4.11Å; L126-W387 HydrophobicContact CD2-CG 3.79Å; M129-W387 HydrophobicContact SD-CD2 4.35Å; M129-W387 HydrophobicContact SD-CZ2 3.6Å; M129-W387 PolarHBondContact SD-NE1 3.16Å; M129-W387 VanDerWaalsContact SD-NE1 3.43Å; V155-W387 HydrophobicContact CG1-CH2 3.46Å; V155-W387 VanDerWaalsContact CG1-CH2 3.46Å; V155-W387 HydrophobicContact CG1-CZ2 3.45Å; V155-W387 VanDerWaalsContact CG1-CZ2 3.45Å; V159-W387 HydrophobicContact CG2-CH2 3.75Å; V159-W387 HydrophobicContact CG2-CZ2 3.94Å; A382-W387 VanDerWaalsContact O-CE2 3.25Å; A382-W387 WeakPolarHBondContact O-CZ2 3.23Å; A382-W387 PolarHBondContact O-NE1 3.35Å; G385-W387 PolarHBondContact O-N 3.44Å; W387-S389 PolarHBondContact O-N 3.4Å; W387-M390 WeakPolarHBondContact O-CB 3.34Å; W387-M390 PolarHBondContact O-N 3.07Å
388	S	75.3	Confident	74.2	Confident	20 Å²	20	54.7 Å²	54.7	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-25.4	171.2	70.5	0	0	0	0	112.8	V171 G385 K386 M390 L391 M392	V171-S388 WeakPolarHBondContact CG1-OG 3.19Å; G385-S388 VanDerWaalsContact O-CB 3.28Å; G385-S388 WeakPolarHBondContact O-CB 3.32Å; G385-S388 PolarHBondContact O-N 3.41Å; G385-S388 PolarHBondContact O-OG 3.01Å; K386-S388 PolarHBondContact O-N 3.12Å; K386-S388 VanDerWaalsContact O-N 3.1Å; S388-M390 VanDerWaalsContact C-N 3.3Å; S388-M390 PolarHBondContact O-N 3.17Å; S388-L391 PolarHBondContact O-N 2.82Å; S388-M392 WeakPolarHBondContact O-CG 3Å; S388-M392 PolarHBondContact O-N 2.86Å
389	S	71	Confident	74.3	Confident	45 Å²	45	59 Å²	59	32%	0.315	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-38.4	176.3	76	0	0	0	0	111.3	K386 W387 L391 M392 E393	K386-S389 WeakPolarHBondContact O-CB 3.24Å; K386-S389 PolarHBondContact O-N 3.25Å; K386-S389 PolarHBondContact O-OG 3.08Å; K386-S389 VanDerWaalsContact O-OG 3.13Å; W387-S389 PolarHBondContact O-N 3.4Å; S389-L391 VanDerWaalsContact C-N 3.26Å; S389-L391 PolarHBondContact O-N 3.49Å; S389-M392 WeakPolarHBondContact O-CB 3.45Å; S389-M392 PolarHBondContact O-N 2.87Å; S389-E393 WeakPolarHBondContact O-CB 3.35Å; S389-E393 WeakPolarHBondContact O-CG 3.28Å; S389-E393 PolarHBondContact O-N 2.96Å
390	M	75	Confident	74.3	Confident	96 Å²	96	62.7 Å²	62.7	47%	0.473	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-39.2	176.1	-60.7	175.1	65.9	0	0	111.4	W387 S388 A394	W387-M390 WeakPolarHBondContact O-CB 3.34Å; W387-M390 PolarHBondContact O-N 3.07Å; S388-M390 VanDerWaalsContact C-N 3.3Å; S388-M390 PolarHBondContact O-N 3.17Å; M390-A394 VanDerWaalsContact O-CB 3.29Å; M390-A394 WeakPolarHBondContact O-CB 3.49Å; M390-A394 PolarHBondContact O-N 3.07Å
391	L	73.7	Confident	73.9	Confident	97 Å²	97	62.6 Å²	62.6	51%	0.508	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-39.3	175.6	-176	67.2	0	0	0	111.7	S388 S389 Y395	S388-L391 PolarHBondContact O-N 2.82Å; S389-L391 VanDerWaalsContact C-N 3.26Å; S389-L391 PolarHBondContact O-N 3.49Å; L391-Y395 WeakPolarHBondContact O-CB 3.46Å; L391-Y395 PolarHBondContact O-N 3.08Å
392	M	71	Confident	73.4	Confident	37 Å²	37	66.7 Å²	66.7	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-44.7	176.3	-75	-66.7	-106.8	0	0	112	L174 L190 S388 S389 Y395 S396	L174-M392 HydrophobicContact CD1-CE 4.4Å; L174-M392 HydrophobicContact CD1-CG 4.16Å; L174-M392 HydrophobicContact CD1-SD 3.14Å; L174-M392 WeakPolarHBondContact CD1-SD 3.35Å; L174-M392 HydrophobicContact CD2-SD 3.85Å; L174-M392 HydrophobicContact CG-SD 4.04Å; L190-M392 HydrophobicContact CD1-CE 3.9Å; L190-M392 HydrophobicContact CD1-SD 3.92Å; L190-M392 HydrophobicContact CD2-CE 4.42Å; L190-M392 HydrophobicContact CG-CE 3.93Å; S388-M392 WeakPolarHBondContact O-CG 3Å; S388-M392 PolarHBondContact O-N 2.86Å; S389-M392 WeakPolarHBondContact O-CB 3.45Å; S389-M392 PolarHBondContact O-N 2.87Å; M392-Y395 PolarHBondContact O-N 3.39Å; M392-S396 WeakPolarHBondContact O-CB 3.48Å; M392-S396 PolarHBondContact O-N 3.42Å
393	E	71	Confident	72.7	Confident	120 Å²	120	70.6 Å²	70.6	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-60.8	-49.8	175.2	-72.7	164.3	-145.8	0	0	110.3	S389 Y395 S396 A397	S389-E393 WeakPolarHBondContact O-CB 3.35Å; S389-E393 WeakPolarHBondContact O-CG 3.28Å; S389-E393 PolarHBondContact O-N 2.96Å; E393-Y395 VanDerWaalsContact C-N 3.31Å; E393-Y395 PolarHBondContact O-N 2.74Å; E393-S396 PolarHBondContact O-N 2.95Å; E393-S396 PolarHBondContact O-OG 3.27Å; E393-A397 WeakPolarHBondContact O-CB 3.38Å; E393-A397 PolarHBondContact O-N 3.14Å
394	A	72.6	Confident	71.8	Confident	58 Å²	58	71.7 Å²	71.7	48%	0.479	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-39.7	176.2	0	0	0	0	0	112.9	M390 Y398	M390-A394 VanDerWaalsContact O-CB 3.29Å; M390-A394 WeakPolarHBondContact O-CB 3.49Å; M390-A394 PolarHBondContact O-N 3.07Å; A394-Y398 WeakPolarHBondContact O-CB 3.06Å; A394-Y398 PolarHBondContact O-N 3.49Å
395	Y	72.2	Confident	71	Confident	20 Å²	20	72.2 Å²	72.2	8%	0.078	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-40.7	176.7	179.9	-107.2	0	0	0	112.2	L174 L176 D179 L190 L391 M392 E393 Y398 Q399	L174-Y395 HydrophobicContact CD2-CD1 3.62Å; L174-Y395 HydrophobicContact CD2-CE1 3.69Å; L174-Y395 HydrophobicContact CD2-CG 4.13Å; L176-Y395 HydrophobicContact CD2-CD2 3.31Å; L176-Y395 HydrophobicContact CD2-CE2 3.56Å; L176-Y395 HydrophobicContact CD2-CG 4.47Å; D179-Y395 PolarHBondContact OD2-OH 2.8Å; L190-Y395 HydrophobicContact CD1-CD1 3.48Å; L190-Y395 VanDerWaalsContact CD1-CD1 3.48Å; L190-Y395 HydrophobicContact CD1-CE1 3.63Å; L391-Y395 WeakPolarHBondContact O-CB 3.46Å; L391-Y395 PolarHBondContact O-N 3.08Å; M392-Y395 PolarHBondContact O-N 3.39Å; E393-Y395 VanDerWaalsContact C-N 3.31Å; E393-Y395 PolarHBondContact O-N 2.74Å; Y395-Y398 HydrophobicContact CD2-CD1 4.4Å; Y395-Y398 WeakPolarHBondContact O-CB 3.35Å; Y395-Y398 PolarHBondContact O-N 2.91Å; Y395-Q399 HydrophobicContact CD1-CG 4.31Å; Y395-Q399 VanDerWaalsContact CE1-CD 3.44Å; Y395-Q399 HydrophobicContact CE1-CG 3.98Å; Y395-Q399 HydrophobicContact CE2-CG 4.39Å; Y395-Q399 WeakPolarHBondContact O-CG 3.4Å; Y395-Q399 PolarHBondContact O-N 3.36Å; Y395-Q399 PolarHBondContact OH-NE2 3.39Å
396	S	69.1	Low	70.1	Confident	40 Å²	40	83.7 Å²	83.7	28%	0.28	43%	0.43	S	S	.	.	H	α-helix	trans	-63.2	-43.5	175.1	75.9	0	0	0	0	111.7	M392 E393 Y398 Q399 N400	M392-S396 WeakPolarHBondContact O-CB 3.48Å; M392-S396 PolarHBondContact O-N 3.42Å; E393-S396 PolarHBondContact O-N 2.95Å; E393-S396 PolarHBondContact O-OG 3.27Å; S396-Y398 VanDerWaalsContact C-N 3.34Å; S396-Y398 PolarHBondContact O-N 2.88Å; S396-Q399 PolarHBondContact O-N 3.22Å; S396-N400 WeakPolarHBondContact O-CB 3.42Å; S396-N400 VanDerWaalsContact O-CG 3.26Å; S396-N400 PolarHBondContact O-N 3.27Å; S396-N400 PolarHBondContact O-ND2 3.38Å
397	A	70.1	Confident	69.9	Low	30 Å²	30	79.7 Å²	79.7	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-60.3	-42.5	173.2	0	0	0	0	0	111.8	E393 N400 G401 E402	E393-A397 WeakPolarHBondContact O-CB 3.38Å; E393-A397 PolarHBondContact O-N 3.14Å; A397-N400 PolarHBondContact O-N 2.87Å; A397-G401 PolarHBondContact O-N 2.96Å; A397-G401 VanDerWaalsContact O-N 3.15Å; A397-E402 HydrophobicContact CB-CB 4.25Å; A397-E402 PolarHBondContact O-N 3.37Å
398	Y	71.9	Confident	69.8	Low	173 Å²	173	82.9 Å²	82.9	68%	0.678	43%	0.434	S	S	*	.	H	α-helix	trans	-60.6	-46.6	173.5	170.5	-100.2	0	0	0	112.4	A394 Y395 S396 N400 G401	A394-Y398 WeakPolarHBondContact O-CB 3.06Å; A394-Y398 PolarHBondContact O-N 3.49Å; Y395-Y398 HydrophobicContact CD2-CD1 4.4Å; Y395-Y398 WeakPolarHBondContact O-CB 3.35Å; Y395-Y398 PolarHBondContact O-N 2.91Å; S396-Y398 VanDerWaalsContact C-N 3.34Å; S396-Y398 PolarHBondContact O-N 2.88Å; Y398-N400 VanDerWaalsContact C-N 3.32Å; Y398-N400 PolarHBondContact O-N 3.26Å; Y398-G401 PolarHBondContact O-N 3.34Å; Y398-G401 VanDerWaalsContact O-N 3.12Å
399	Q	67.1	Low	69.8	Low	94 Å²	94	87.5 Å²	87.5	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-62.3	-38.8	177.3	-75.7	-168.6	-22.7	0	0	112.3	Y395 S396 G401	Y395-Q399 HydrophobicContact CD1-CG 4.31Å; Y395-Q399 VanDerWaalsContact CE1-CD 3.44Å; Y395-Q399 HydrophobicContact CE1-CG 3.98Å; Y395-Q399 HydrophobicContact CE2-CG 4.39Å; Y395-Q399 WeakPolarHBondContact O-CG 3.4Å; Y395-Q399 PolarHBondContact O-N 3.36Å; Y395-Q399 PolarHBondContact OH-NE2 3.39Å; S396-Q399 PolarHBondContact O-N 3.22Å; Q399-G401 PolarHBondContact O-N 3.43Å
400	N	68.9	Low	69.8	Low	110 Å²	110	89.2 Å²	89.2	59%	0.588	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.2	177.6	-68.1	-16	0	0	0	113.2	S396 A397 Y398 E402	S396-N400 WeakPolarHBondContact O-CB 3.42Å; S396-N400 VanDerWaalsContact O-CG 3.26Å; S396-N400 PolarHBondContact O-N 3.27Å; S396-N400 PolarHBondContact O-ND2 3.38Å; A397-N400 PolarHBondContact O-N 2.87Å; Y398-N400 VanDerWaalsContact C-N 3.32Å; Y398-N400 PolarHBondContact O-N 3.26Å; N400-E402 HydrophobicContact CB-CG 3.94Å; N400-E402 PolarHBondContact O-N 3.16Å
401	G	70.6	Confident	69.8	Low	55 Å²	55	88.9 Å²	88.9	57%	0.567	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	22.9	-175	0	0	0	0	0	113.2	A397 Y398 Q399 V403	A397-G401 PolarHBondContact O-N 2.96Å; A397-G401 VanDerWaalsContact O-N 3.15Å; Y398-G401 PolarHBondContact O-N 3.34Å; Y398-G401 VanDerWaalsContact O-N 3.12Å; Q399-G401 PolarHBondContact O-N 3.43Å; G401-V403 PolarHBondContact O-N 2.95Å; G401-V403 VanDerWaalsContact O-N 3.12Å
402	E	68.4	Low	70.3	Confident	88 Å²	88	85 Å²	85	41%	0.411	43%	0.433	S	S	.	.			trans	-72.3	104.3	176.3	-68.2	-170.3	-148.7	0	0	109.1	K34 A397 N400 P404	K34-E402 IonicContact NZ-OE2 2.84Å; K34-E402 PolarHBondContact NZ-OE2 2.88Å; A397-E402 HydrophobicContact CB-CB 4.25Å; A397-E402 PolarHBondContact O-N 3.37Å; N400-E402 HydrophobicContact CB-CG 3.94Å; N400-E402 PolarHBondContact O-N 3.16Å; E402-P404 WeakPolarHBondContact O-CD 3.22Å
403	V	65.5	Low	70.6	Confident	81 Å²	81	88.5 Å²	88.5	49%	0.491	45%	0.449	S	S	.	.			trans	-99.5	107.1	173.5	-170.7	0	0	0	0	107.6	G401 F405 R411	G401-V403 PolarHBondContact O-N 2.95Å; G401-V403 VanDerWaalsContact O-N 3.12Å; V403-F405 PolarHBondContact O-N 3.45Å; V403-R411 HydrophobicContact CG1-CG 4.38Å
404	P	59.6	Low	70.7	Confident	80 Å²	80	85.8 Å²	85.8	52%	0.519	43%	0.434	S	S	.	.	S	Bend	trans	-64.9	-24.9	-177.3	22.6	-30.9	0	0	0	112.3	E402	E402-P404 WeakPolarHBondContact O-CD 3.22Å
405	F	62.3	Low	71.2	Confident	46 Å²	46	84.1 Å²	84.1	20%	0.202	42%	0.419	C	S	.	.			trans	-90.3	110.6	-177.8	-48.8	-63.6	0	0	0	111.5	V403 R411	V403-F405 PolarHBondContact O-N 3.45Å; F405-R411 HydrophobicContact CB-CB 4.16Å
406	R	60.7	Low	71.9	Confident	245 Å²	245	83.7 Å²	83.7	93%	0.925	42%	0.419	S	S	*	.			trans	-72.8	-33.1	173.3	-75.5	-175.2	177.6	175.1	0.2	112.9	E408	R406-E408 PolarHBondContact O-N 3.42Å
407	N	72.2	Confident	72.4	Confident	91 Å²	91	84.7 Å²	84.7	49%	0.487	42%	0.421	S	S	.	.			trans	-80.2	119.6	-178	-67.7	-10.8	0	0	0	110.3	D409 E410 R411	N407-D409 PolarHBondContact O-N 2.9Å; N407-E410 HydrophobicContact CB-CB 4.21Å; N407-E410 HydrophobicContact CB-CG 4.05Å; N407-E410 PolarHBondContact ND2-OE1 3.46Å; N407-R411 PolarHBondContact O-N 3.4Å; N407-R411 VanDerWaalsContact O-N 3.14Å
408	E	77.4	Confident	72.9	Confident	115 Å²	115	88.4 Å²	88.4	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-39.4	-175.6	176.8	159	-151.3	0	0	112.9	R406 R411 N412	R406-E408 PolarHBondContact O-N 3.42Å; E408-R411 WeakPolarHBondContact O-CB 3.47Å; E408-R411 PolarHBondContact O-N 2.95Å; E408-R411 IonicContact OE1-NH2 3.38Å; E408-R411 PolarHBondContact OE1-NH2 2.91Å; E408-N412 WeakPolarHBondContact CG-ND2 3.14Å; E408-N412 WeakPolarHBondContact O-CB 3.11Å; E408-N412 PolarHBondContact O-N 2.93Å; E408-N412 PolarHBondContact O-ND2 3.34Å
409	D	75.7	Confident	73.7	Confident	117 Å²	117	83.7 Å²	83.7	63%	0.626	42%	0.417	S	S	*	.	H	α-helix	trans	-64.6	-46.1	-179.3	-65.9	-28.9	0	0	0	112	N407 R411 N412 Q413	N407-D409 PolarHBondContact O-N 2.9Å; D409-R411 VanDerWaalsContact C-N 3.32Å; D409-R411 PolarHBondContact O-N 3.46Å; D409-N412 PolarHBondContact O-N 2.94Å; D409-Q413 WeakPolarHBondContact O-CG 3.41Å; D409-Q413 PolarHBondContact O-N 3.04Å
410	E	69.8	Low	74.6	Confident	80 Å²	80	81.8 Å²	81.8	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-41.8	176.4	-67.9	174	-156.9	0	0	111.4	N407 Q413 R414	N407-E410 HydrophobicContact CB-CB 4.21Å; N407-E410 HydrophobicContact CB-CG 4.05Å; N407-E410 PolarHBondContact ND2-OE1 3.46Å; E410-Q413 PolarHBondContact O-N 2.99Å; E410-R414 WeakPolarHBondContact O-CG 3.28Å; E410-R414 PolarHBondContact O-N 3.46Å; E410-R414 VanDerWaalsContact O-N 3.1Å
411	R	76.5	Confident	75.3	Confident	89 Å²	89	80.3 Å²	80.3	34%	0.336	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.3	-179.2	-179.4	67.3	-163	-1.3	111.2	V403 F405 N407 E408 D409 R414 A415	V403-R411 HydrophobicContact CG1-CG 4.38Å; F405-R411 HydrophobicContact CB-CB 4.16Å; N407-R411 PolarHBondContact O-N 3.4Å; N407-R411 VanDerWaalsContact O-N 3.14Å; E408-R411 WeakPolarHBondContact O-CB 3.47Å; E408-R411 PolarHBondContact O-N 2.95Å; E408-R411 IonicContact OE1-NH2 3.38Å; E408-R411 PolarHBondContact OE1-NH2 2.91Å; D409-R411 VanDerWaalsContact C-N 3.32Å; D409-R411 PolarHBondContact O-N 3.46Å; R411-R414 PolarHBondContact O-N 3.33Å; R411-A415 VanDerWaalsContact O-CB 3.25Å; R411-A415 WeakPolarHBondContact O-CB 3.5Å; R411-A415 PolarHBondContact O-N 2.91Å
412	N	83.7	Confident	75.9	Confident	15 Å²	15	78.9 Å²	78.9	8%	0.08	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-41.5	-179.1	-69	-24.4	0	0	0	111.6	E408 D409 R414 A415 L416 Y437 K442	E408-N412 WeakPolarHBondContact CG-ND2 3.14Å; E408-N412 WeakPolarHBondContact O-CB 3.11Å; E408-N412 PolarHBondContact O-N 2.93Å; E408-N412 PolarHBondContact O-ND2 3.34Å; D409-N412 PolarHBondContact O-N 2.94Å; N412-R414 PolarHBondContact O-N 2.9Å; N412-A415 PolarHBondContact O-N 3.45Å; N412-L416 WeakPolarHBondContact O-CB 3.35Å; N412-L416 PolarHBondContact O-N 2.87Å; N412-Y437 HydrophobicContact CB-CE1 4.29Å; N412-Y437 WeakPolarHBondContact O-CE1 3.43Å; N412-K442 HydrophobicContact CB-CB 4.28Å
413	Q	76.8	Confident	76.8	Confident	112 Å²	112	74.7 Å²	74.7	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.1	-75.3	175.9	-0.3	0	0	112.2	D409 E410 L417 G443	D409-Q413 WeakPolarHBondContact O-CG 3.41Å; D409-Q413 PolarHBondContact O-N 3.04Å; E410-Q413 PolarHBondContact O-N 2.99Å; Q413-L417 PolarHBondContact O-N 3.38Å; Q413-G443 VanDerWaalsContact CG-O 3.3Å; Q413-G443 WeakPolarHBondContact CG-O 3.18Å
414	R	74.5	Confident	77.7	Confident	63 Å²	63	76.2 Å²	76.2	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-44	176.9	-69.3	-179.3	-172.3	-141.5	4.5	112.1	W71 E410 R411 N412 L416 L417 L418	W71-R414 VanDerWaalsContact NE1-NH2 3.2Å; E410-R414 WeakPolarHBondContact O-CG 3.28Å; E410-R414 PolarHBondContact O-N 3.46Å; E410-R414 VanDerWaalsContact O-N 3.1Å; R411-R414 PolarHBondContact O-N 3.33Å; N412-R414 PolarHBondContact O-N 2.9Å; R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 3.38Å; R414-L417 PolarHBondContact O-N 2.97Å; R414-L418 WeakPolarHBondContact O-CG 3.38Å; R414-L418 PolarHBondContact O-N 3.03Å
415	A	82.7	Confident	78.6	Confident	22 Å²	22	80 Å²	80	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-42.2	179.5	0	0	0	0	0	110.9	R411 N412 L417 L418 W419 Y437	R411-A415 VanDerWaalsContact O-CB 3.25Å; R411-A415 WeakPolarHBondContact O-CB 3.5Å; R411-A415 PolarHBondContact O-N 2.91Å; N412-A415 PolarHBondContact O-N 3.45Å; A415-L417 PolarHBondContact O-N 3.49Å; A415-L418 PolarHBondContact O-N 3.02Å; A415-W419 WeakPolarHBondContact O-CB 3.45Å; A415-W419 VanDerWaalsContact O-CG 3.29Å; A415-W419 PolarHBondContact O-N 3.17Å; A415-Y437 HydrophobicContact CB-CE1 3.92Å; A415-Y437 VanDerWaalsContact CB-OH 3.22Å; A415-Y437 WeakPolarHBondContact CB-OH 3.05Å
416	L	86.8	Confident	79.6	Confident	11 Å²	11	80 Å²	80	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-57.8	-49.7	175.2	-176.3	57	0	0	0	112.1	N412 R414 L418 W419 D420 V434 Y437 T444	N412-L416 WeakPolarHBondContact O-CB 3.35Å; N412-L416 PolarHBondContact O-N 2.87Å; R414-L416 VanDerWaalsContact C-N 3.29Å; R414-L416 PolarHBondContact O-N 3.38Å; L416-L418 PolarHBondContact O-N 2.86Å; L416-W419 PolarHBondContact O-N 3.01Å; L416-W419 VanDerWaalsContact O-N 3.1Å; L416-D420 PolarHBondContact O-N 2.84Å; L416-V434 HydrophobicContact CD1-CB 4.46Å; L416-V434 HydrophobicContact CD1-CG1 4.25Å; L416-V434 HydrophobicContact CD1-CG2 4.46Å; L416-Y437 HydrophobicContact CB-CD1 3.72Å; L416-Y437 HydrophobicContact CB-CE1 4.19Å; L416-Y437 HydrophobicContact CD1-CD1 4.01Å; L416-Y437 HydrophobicContact CD1-CG 4.05Å; L416-Y437 HydrophobicContact CG-CD1 4.34Å; L416-T444 HydrophobicContact CD2-CG2 3.15Å
417	L	78.9	Confident	80.8	Confident	62 Å²	62	70.4 Å²	70.4	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-35.6	179.8	176.9	147.2	0	0	0	112.4	V101 Q413 R414 A415 R421	V101-L417 HydrophobicContact CG1-CD2 4.4Å; Q413-L417 PolarHBondContact O-N 3.38Å; R414-L417 PolarHBondContact O-N 2.97Å; A415-L417 PolarHBondContact O-N 3.49Å; L417-R421 WeakPolarHBondContact O-CG 3.3Å; L417-R421 PolarHBondContact O-N 3.21Å
418	L	81.7	Confident	81.5	Confident	108 Å²	108	68 Å²	68	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-73.7	-40.5	174.4	-67.7	174.2	0	0	0	112.2	R414 A415 L416 D420 R421 A422	R414-L418 WeakPolarHBondContact O-CG 3.38Å; R414-L418 PolarHBondContact O-N 3.03Å; A415-L418 PolarHBondContact O-N 3.02Å; L416-L418 PolarHBondContact O-N 2.86Å; L418-D420 VanDerWaalsContact C-N 3.34Å; L418-R421 PolarHBondContact O-N 3.43Å; L418-A422 PolarHBondContact O-N 2.87Å
419	W	88.6	Confident	82	Confident	74 Å²	74	68 Å²	68	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-43.2	174.6	-72.1	128.2	0	0	0	111.6	A415 L416 R421 A422 A423 F429 A430 K433 V434 Y437	A415-W419 WeakPolarHBondContact O-CB 3.45Å; A415-W419 VanDerWaalsContact O-CG 3.29Å; A415-W419 PolarHBondContact O-N 3.17Å; L416-W419 PolarHBondContact O-N 3.01Å; L416-W419 VanDerWaalsContact O-N 3.1Å; W419-R421 VanDerWaalsContact C-N 3.29Å; W419-R421 PolarHBondContact O-N 3.1Å; W419-A422 PolarHBondContact O-N 2.92Å; W419-A423 VanDerWaalsContact O-CB 3.23Å; W419-A423 WeakPolarHBondContact O-CB 3.25Å; W419-A423 PolarHBondContact O-N 3.05Å; W419-F429 HydrophobicContact CH2-CD1 4.06Å; W419-F429 AromaticContact CH2-CE1 3.65Å; W419-F429 HydrophobicContact CH2-CE1 3.65Å; W419-F429 HydrophobicContact CZ2-CE1 4.48Å; W419-F429 AromaticContact CZ3-CD1 3.89Å; W419-F429 HydrophobicContact CZ3-CD1 3.89Å; W419-F429 AromaticContact CZ3-CE1 3.98Å; W419-F429 HydrophobicContact CZ3-CE1 3.98Å; W419-A430 HydrophobicContact CE3-CB 3.59Å; W419-A430 HydrophobicContact CZ3-CB 4.11Å; W419-K433 HydrophobicContact CB-CB 4.41Å; W419-K433 HydrophobicContact CD2-CB 3.62Å; W419-K433 HydrophobicContact CD2-CG 4.09Å; W419-K433 HydrophobicContact CE3-CB 4.06Å; W419-K433 HydrophobicContact CE3-CG 4.28Å; W419-K433 HydrophobicContact CG-CB 3.78Å; W419-K433 HydrophobicContact CH2-CG 4.25Å; W419-K433 HydrophobicContact CZ2-CB 4.42Å; W419-K433 HydrophobicContact CZ2-CG 4.04Å; W419-K433 HydrophobicContact CZ3-CG 4.35Å; W419-V434 VanDerWaalsContact C-CG2 3.5Å; W419-V434 HydrophobicContact CB-CG2 3.72Å; W419-Y437 AromaticContact CD1-CE2 3.91Å; W419-Y437 AromaticContact CD1-CZ 3.84Å; W419-Y437 AromaticContact NE1-CE2 3.91Å; W419-Y437 AromaticContact NE1-CZ 3.85Å
420	D	86.1	Confident	82.7	Confident	53 Å²	53	62.5 Å²	62.5	28%	0.283	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-41.8	176.5	-100.3	-16.3	0	0	0	112.2	L416 L418 A423 N424 V434	L416-D420 PolarHBondContact O-N 2.84Å; L418-D420 VanDerWaalsContact C-N 3.34Å; D420-A423 WeakPolarHBondContact O-CB 3.31Å; D420-A423 PolarHBondContact O-N 3.05Å; D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.02Å; D420-N424 PolarHBondContact O-ND2 3.04Å; D420-N424 VanDerWaalsContact O-ND2 3.13Å; D420-V434 HydrophobicContact CB-CG2 4.37Å; D420-V434 WeakPolarHBondContact OD1-CG1 3.43Å; D420-V434 WeakPolarHBondContact OD1-CG2 3.46Å
421	R	81.7	Confident	83.9	Confident	79 Å²	79	60.6 Å²	60.6	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-67.3	-46.9	177.3	-72.4	177.3	-173.4	178.1	6.4	112.4	V101 L417 L418 W419 A423 N424 Q425	V101-R421 PolarHBondContact O-NH2 3.45Å; L417-R421 WeakPolarHBondContact O-CG 3.3Å; L417-R421 PolarHBondContact O-N 3.21Å; L418-R421 PolarHBondContact O-N 3.43Å; W419-R421 VanDerWaalsContact C-N 3.29Å; W419-R421 PolarHBondContact O-N 3.1Å; R421-A423 PolarHBondContact O-N 3.13Å; R421-N424 PolarHBondContact O-N 3.1Å; R421-Q425 WeakPolarHBondContact O-CG 3.42Å; R421-Q425 PolarHBondContact O-N 3.41Å
422	A	84.2	Confident	84.8	Confident	25 Å²	25	56.5 Å²	56.5	21%	0.207	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-38.1	176.7	0	0	0	0	0	110.8	L418 W419 Q425 G426 S427 A430	L418-A422 PolarHBondContact O-N 2.87Å; W419-A422 PolarHBondContact O-N 2.92Å; A422-Q425 PolarHBondContact O-N 2.87Å; A422-G426 PolarHBondContact O-N 3.48Å; A422-S427 WeakPolarHBondContact O-CB 3.4Å; A422-S427 PolarHBondContact O-N 2.96Å; A422-A430 HydrophobicContact CB-CB 3.46Å; A422-A430 VanDerWaalsContact CB-CB 3.46Å
423	A	87.8	Confident	85.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.2	0	0	0	0	0	111.9	W419 D420 R421 Q425 G426 A430 R431 V434	W419-A423 VanDerWaalsContact O-CB 3.23Å; W419-A423 WeakPolarHBondContact O-CB 3.25Å; W419-A423 PolarHBondContact O-N 3.05Å; D420-A423 WeakPolarHBondContact O-CB 3.31Å; D420-A423 PolarHBondContact O-N 3.05Å; R421-A423 PolarHBondContact O-N 3.13Å; A423-Q425 VanDerWaalsContact C-N 3.29Å; A423-Q425 PolarHBondContact O-N 2.94Å; A423-G426 WeakPolarHBondContact O-CA 3.4Å; A423-G426 PolarHBondContact O-N 3.42Å; A423-A430 HydrophobicContact CB-CB 4.25Å; A423-R431 HydrophobicContact CB-CB 3.69Å; A423-R431 HydrophobicContact CB-CG 4.19Å; A423-R431 PolarHBondContact O-NH1 2.95Å; A423-V434 HydrophobicContact CB-CG2 4.09Å
424	N	83.8	Confident	86.2	Confident	114 Å²	114	53.4 Å²	53.4	61%	0.61	28%	0.276	S	S	*	.	H	α-helix	trans	-69.1	-25.3	176.4	-71.8	-28	0	0	0	113.3	D420 R421 G426 R431	D420-N424 WeakPolarHBondContact O-CB 3.35Å; D420-N424 PolarHBondContact O-N 3.02Å; D420-N424 PolarHBondContact O-ND2 3.04Å; D420-N424 VanDerWaalsContact O-ND2 3.13Å; R421-N424 PolarHBondContact O-N 3.1Å; N424-G426 PolarHBondContact O-N 3.14Å; N424-R431 PolarHBondContact OD1-NH2 3.25Å
425	Q	79	Confident	87.2	Confident	159 Å²	159	50.4 Å²	50.4	74%	0.743	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.9	167.8	-69.4	173.7	5.8	0	0	113.1	R421 A422 A423	R421-Q425 WeakPolarHBondContact O-CG 3.42Å; R421-Q425 PolarHBondContact O-N 3.41Å; A422-Q425 PolarHBondContact O-N 2.87Å; A423-Q425 VanDerWaalsContact C-N 3.29Å; A423-Q425 PolarHBondContact O-N 2.94Å
426	G	81.8	Confident	87.9	Confident	45 Å²	45	50.3 Å²	50.3	46%	0.464	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	9.5	176.8	0	0	0	0	0	114.9	A422 A423 N424 S428 Q462	A422-G426 PolarHBondContact O-N 3.48Å; A423-G426 WeakPolarHBondContact O-CA 3.4Å; A423-G426 PolarHBondContact O-N 3.42Å; N424-G426 PolarHBondContact O-N 3.14Å; G426-S428 PolarHBondContact O-N 3.22Å; G426-Q462 PolarHBondContact O-NE2 3.4Å
427	S	86.7	Confident	88.3	Confident	45 Å²	45	51.2 Å²	51.2	32%	0.315	26%	0.264	S	S	.	.			trans	-69.8	118.1	173.3	177.3	0	0	0	0	111	A422 A430 R431 Q462	A422-S427 WeakPolarHBondContact O-CB 3.4Å; A422-S427 PolarHBondContact O-N 2.96Å; S427-A430 PolarHBondContact O-N 3.46Å; S427-A430 WeakPolarHBondContact OG-CB 3.35Å; S427-A430 PolarHBondContact OG-N 2.75Å; S427-R431 PolarHBondContact O-N 2.91Å; S427-R431 VanDerWaalsContact O-N 3.14Å; S427-Q462 PolarHBondContact O-NE2 3.5Å
428	S	87.9	Confident	89.1	Confident	41 Å²	41	49.5 Å²	49.5	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-73.8	-35.8	-177.7	73.7	0	0	0	0	113.5	G426 R431 V432 Q462 N464	G426-S428 PolarHBondContact O-N 3.22Å; S428-R431 PolarHBondContact O-N 3.37Å; S428-V432 WeakPolarHBondContact O-CG2 3.17Å; S428-V432 PolarHBondContact O-N 3.29Å; S428-V432 VanDerWaalsContact O-N 3.16Å; S428-Q462 VanDerWaalsContact CA-CD 3.41Å; S428-Q462 VanDerWaalsContact CB-CB 3.45Å; S428-N464 PolarHBondContact O-ND2 3.46Å; S428-N464 PolarHBondContact OG-ND2 3.12Å
429	F	87.3	Confident	89.8	Confident	115 Å²	115	46 Å²	46	50%	0.504	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-44.6	173.5	-178.6	-96.1	0	0	0	111.1	W419 R431 V432 K433	W419-F429 HydrophobicContact CH2-CD1 4.06Å; W419-F429 AromaticContact CH2-CE1 3.65Å; W419-F429 HydrophobicContact CH2-CE1 3.65Å; W419-F429 HydrophobicContact CZ2-CE1 4.48Å; W419-F429 AromaticContact CZ3-CD1 3.89Å; W419-F429 HydrophobicContact CZ3-CD1 3.89Å; W419-F429 AromaticContact CZ3-CE1 3.98Å; W419-F429 HydrophobicContact CZ3-CE1 3.98Å; F429-R431 VanDerWaalsContact C-N 3.33Å; F429-R431 PolarHBondContact O-N 3.49Å; F429-V432 WeakPolarHBondContact O-CB 3.39Å; F429-V432 PolarHBondContact O-N 2.72Å; F429-K433 HydrophobicContact CD1-CG 4.3Å; F429-K433 HydrophobicContact CE1-CG 3.92Å; F429-K433 HydrophobicContact CZ-CG 4.28Å; F429-K433 PolarHBondContact O-N 3.19Å
430	A	91	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-41.8	178.1	0	0	0	0	0	112.1	W419 A422 A423 S427 V432 K433 V434	W419-A430 HydrophobicContact CE3-CB 3.59Å; W419-A430 HydrophobicContact CZ3-CB 4.11Å; A422-A430 HydrophobicContact CB-CB 3.46Å; A422-A430 VanDerWaalsContact CB-CB 3.46Å; A423-A430 HydrophobicContact CB-CB 4.25Å; S427-A430 PolarHBondContact O-N 3.46Å; S427-A430 WeakPolarHBondContact OG-CB 3.35Å; S427-A430 PolarHBondContact OG-N 2.75Å; A430-V432 VanDerWaalsContact C-N 3.32Å; A430-V432 PolarHBondContact O-N 2.91Å; A430-K433 CarbonylContact O-C 3.58Å; A430-K433 WeakPolarHBondContact O-CA 3.23Å; A430-K433 WeakPolarHBondContact O-CB 3.41Å; A430-K433 PolarHBondContact O-N 3.33Å; A430-V434 WeakPolarHBondContact O-CG2 3.41Å; A430-V434 PolarHBondContact O-N 2.86Å
431	R	94.7	Very high	90.5	Very high	40 Å²	40	48 Å²	48	15%	0.151	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-34.9	178.7	-168.8	151.4	-109.8	150.2	4.2	113	A423 N424 S427 S428 F429 K433 V434 A435 N454 V457 A458	A423-R431 HydrophobicContact CB-CB 3.69Å; A423-R431 HydrophobicContact CB-CG 4.19Å; A423-R431 PolarHBondContact O-NH1 2.95Å; N424-R431 PolarHBondContact OD1-NH2 3.25Å; S427-R431 PolarHBondContact O-N 2.91Å; S427-R431 VanDerWaalsContact O-N 3.14Å; S428-R431 PolarHBondContact O-N 3.37Å; F429-R431 VanDerWaalsContact C-N 3.33Å; F429-R431 PolarHBondContact O-N 3.49Å; R431-K433 VanDerWaalsContact C-N 3.31Å; R431-V434 PolarHBondContact O-N 3.3Å; R431-A435 PolarHBondContact O-N 3.07Å; R431-A435 VanDerWaalsContact O-N 3.13Å; R431-N454 HydrophobicContact CG-CB 4.19Å; R431-N454 PolarHBondContact NE-OD1 3.44Å; R431-V457 VanDerWaalsContact CD-CG1 3.49Å; R431-A458 HydrophobicContact CB-CB 4.28Å; R431-A458 HydrophobicContact CG-CB 4.17Å
432	V	95	Very high	90.9	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-38.8	168.6	170.1	0	0	0	0	111.1	S428 F429 A430 A435 D436 Y455 A458 N464 Q466 A467	S428-V432 WeakPolarHBondContact O-CG2 3.17Å; S428-V432 PolarHBondContact O-N 3.29Å; S428-V432 VanDerWaalsContact O-N 3.16Å; F429-V432 WeakPolarHBondContact O-CB 3.39Å; F429-V432 PolarHBondContact O-N 2.72Å; A430-V432 VanDerWaalsContact C-N 3.32Å; A430-V432 PolarHBondContact O-N 2.91Å; V432-A435 WeakPolarHBondContact O-CB 3.39Å; V432-A435 PolarHBondContact O-N 3.36Å; V432-D436 PolarHBondContact O-N 3Å; V432-Y455 HydrophobicContact CG1-CE1 4.12Å; V432-A458 HydrophobicContact CG2-CB 4.02Å; V432-N464 HydrophobicContact CG2-CB 4.43Å; V432-N464 WeakPolarHBondContact CG2-ND2 3.17Å; V432-Q466 HydrophobicContact CG1-CB 4.43Å; V432-Q466 HydrophobicContact CG1-CG 3.93Å; V432-A467 HydrophobicContact CG2-CB 3.81Å
433	K	95	Very high	90.8	Very high	61 Å²	61	48.6 Å²	48.6	27%	0.265	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-39	176.1	-67.7	-54.7	176.4	-164.3	0	114	W419 F429 A430 R431 A435 D436 Y437	W419-K433 HydrophobicContact CB-CB 4.41Å; W419-K433 HydrophobicContact CD2-CB 3.62Å; W419-K433 HydrophobicContact CD2-CG 4.09Å; W419-K433 HydrophobicContact CE3-CB 4.06Å; W419-K433 HydrophobicContact CE3-CG 4.28Å; W419-K433 HydrophobicContact CG-CB 3.78Å; W419-K433 HydrophobicContact CH2-CG 4.25Å; W419-K433 HydrophobicContact CZ2-CB 4.42Å; W419-K433 HydrophobicContact CZ2-CG 4.04Å; W419-K433 HydrophobicContact CZ3-CG 4.35Å; F429-K433 HydrophobicContact CD1-CG 4.3Å; F429-K433 HydrophobicContact CE1-CG 3.92Å; F429-K433 HydrophobicContact CZ-CG 4.28Å; F429-K433 PolarHBondContact O-N 3.19Å; A430-K433 CarbonylContact O-C 3.58Å; A430-K433 WeakPolarHBondContact O-CA 3.23Å; A430-K433 WeakPolarHBondContact O-CB 3.41Å; A430-K433 PolarHBondContact O-N 3.33Å; R431-K433 VanDerWaalsContact C-N 3.31Å; K433-A435 VanDerWaalsContact C-N 3.28Å; K433-A435 PolarHBondContact O-N 3.13Å; K433-D436 WeakPolarHBondContact CD-OD2 3.44Å; K433-D436 IonicContact NZ-OD2 3.52Å; K433-D436 PolarHBondContact NZ-OD2 3.48Å; K433-D436 PolarHBondContact O-N 2.94Å; K433-Y437 WeakPolarHBondContact O-CD2 3.31Å; K433-Y437 PolarHBondContact O-N 2.81Å
434	V	94.7	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-49.2	169.9	174	0	0	0	0	109.9	L416 W419 D420 A423 A430 R431 D436 Y437 H438	L416-V434 HydrophobicContact CD1-CB 4.46Å; L416-V434 HydrophobicContact CD1-CG1 4.25Å; L416-V434 HydrophobicContact CD1-CG2 4.46Å; W419-V434 VanDerWaalsContact C-CG2 3.5Å; W419-V434 HydrophobicContact CB-CG2 3.72Å; D420-V434 HydrophobicContact CB-CG2 4.37Å; D420-V434 WeakPolarHBondContact OD1-CG1 3.43Å; D420-V434 WeakPolarHBondContact OD1-CG2 3.46Å; A423-V434 HydrophobicContact CB-CG2 4.09Å; A430-V434 WeakPolarHBondContact O-CG2 3.41Å; A430-V434 PolarHBondContact O-N 2.86Å; R431-V434 PolarHBondContact O-N 3.3Å; V434-D436 PolarHBondContact O-N 3.31Å; V434-Y437 WeakPolarHBondContact O-CB 3.36Å; V434-Y437 PolarHBondContact O-N 3.16Å; V434-Y437 VanDerWaalsContact O-N 3.13Å; V434-H438 PolarHBondContact O-CD2 3.34Å; V434-H438 VanDerWaalsContact O-CD2 3.28Å; V434-H438 PolarHBondContact O-N 2.93Å; V434-H438 VanDerWaalsContact O-N 3.09Å
435	A	95.7	Very high	91.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-42.5	178.1	0	0	0	0	0	113	R431 V432 K433 Y437 H438 Y439 A451 N454 Y455	R431-A435 PolarHBondContact O-N 3.07Å; R431-A435 VanDerWaalsContact O-N 3.13Å; V432-A435 WeakPolarHBondContact O-CB 3.39Å; V432-A435 PolarHBondContact O-N 3.36Å; K433-A435 VanDerWaalsContact C-N 3.28Å; K433-A435 PolarHBondContact O-N 3.13Å; A435-Y437 VanDerWaalsContact C-N 3.27Å; A435-Y437 PolarHBondContact O-N 3.17Å; A435-H438 PolarHBondContact O-N 2.94Å; A435-Y439 VanDerWaalsContact O-CB 3.24Å; A435-Y439 WeakPolarHBondContact O-CB 3.49Å; A435-Y439 PolarHBondContact O-N 3.27Å; A435-A451 WeakPolarHBondContact CB-O 3.26Å; A435-A451 WeakPolarHBondContact O-CB 3.32Å; A435-N454 HydrophobicContact CB-CB 3.79Å; A435-Y455 HydrophobicContact CB-CD1 3.5Å; A435-Y455 VanDerWaalsContact CB-CD1 3.5Å; A435-Y455 HydrophobicContact CB-CD2 3.82Å; A435-Y455 HydrophobicContact CB-CE1 3.38Å; A435-Y455 HydrophobicContact CB-CE2 3.72Å; A435-Y455 HydrophobicContact CB-CG 3.7Å; A435-Y455 VanDerWaalsContact CB-CZ 3.48Å
436	D	96.2	Very high	91.9	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-41.7	173.7	-73.6	-20.5	0	0	0	110.7	V432 K433 V434 Y439 Y440 Y455	V432-D436 PolarHBondContact O-N 3Å; K433-D436 WeakPolarHBondContact CD-OD2 3.44Å; K433-D436 IonicContact NZ-OD2 3.52Å; K433-D436 PolarHBondContact NZ-OD2 3.48Å; K433-D436 PolarHBondContact O-N 2.94Å; V434-D436 PolarHBondContact O-N 3.31Å; D436-Y439 PolarHBondContact O-N 2.85Å; D436-Y440 HydrophobicContact CB-CD2 4.29Å; D436-Y440 HydrophobicContact CB-CE2 4.46Å; D436-Y440 WeakPolarHBondContact O-CB 3.4Å; D436-Y440 WeakPolarHBondContact O-CD2 3.46Å; D436-Y440 PolarHBondContact O-N 2.81Å; D436-Y455 PolarHBondContact OD1-OH 3.23Å
437	Y	95.8	Very high	92.6	Very high	30 Å²	30	47.4 Å²	47.4	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-43.5	-177.7	-86.1	-128.6	0	0	0	112	N412 A415 L416 W419 K433 V434 A435 Y439 G441 K442	N412-Y437 HydrophobicContact CB-CE1 4.29Å; N412-Y437 WeakPolarHBondContact O-CE1 3.43Å; A415-Y437 HydrophobicContact CB-CE1 3.92Å; A415-Y437 VanDerWaalsContact CB-OH 3.22Å; A415-Y437 WeakPolarHBondContact CB-OH 3.05Å; L416-Y437 HydrophobicContact CB-CD1 3.72Å; L416-Y437 HydrophobicContact CB-CE1 4.19Å; L416-Y437 HydrophobicContact CD1-CD1 4.01Å; L416-Y437 HydrophobicContact CD1-CG 4.05Å; L416-Y437 HydrophobicContact CG-CD1 4.34Å; W419-Y437 AromaticContact CD1-CE2 3.91Å; W419-Y437 AromaticContact CD1-CZ 3.84Å; W419-Y437 AromaticContact NE1-CE2 3.91Å; W419-Y437 AromaticContact NE1-CZ 3.85Å; K433-Y437 WeakPolarHBondContact O-CD2 3.31Å; K433-Y437 PolarHBondContact O-N 2.81Å; V434-Y437 WeakPolarHBondContact O-CB 3.36Å; V434-Y437 PolarHBondContact O-N 3.16Å; V434-Y437 VanDerWaalsContact O-N 3.13Å; A435-Y437 VanDerWaalsContact C-N 3.27Å; A435-Y437 PolarHBondContact O-N 3.17Å; Y437-Y439 VanDerWaalsContact C-N 3.35Å; Y437-G441 CarbonylContact O-C 3.48Å; Y437-G441 WeakPolarHBondContact O-CA 3.46Å; Y437-G441 PolarHBondContact O-N 3.4Å; Y437-K442 HydrophobicContact CD1-CB 3.79Å; Y437-K442 WeakPolarHBondContact CD1-O 3.33Å; Y437-K442 HydrophobicContact CE1-CB 4.16Å; Y437-K442 HydrophobicContact CG-CB 3.98Å; Y437-K442 PolarHBondContact O-N 3.29Å
438	H	96.7	Very high	93.1	Very high	25 Å²	25	50 Å²	50	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-37.5	172.7	-76.3	-74.3	0	0	0	112.3	V434 A435 V446 D447 A451	V434-H438 PolarHBondContact O-CD2 3.34Å; V434-H438 VanDerWaalsContact O-CD2 3.28Å; V434-H438 PolarHBondContact O-N 2.93Å; V434-H438 VanDerWaalsContact O-N 3.09Å; A435-H438 PolarHBondContact O-N 2.94Å; H438-V446 WeakPolarHBondContact O-CA 3.12Å; H438-D447 WeakPolarHBondContact CB-O 3.23Å; H438-D447 PolarHBondContact O-N 2.99Å; H438-A451 HydrophobicContact CB-CB 4Å
439	Y	96.6	Very high	93.4	Very high	35 Å²	35	55 Å²	55	14%	0.137	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-44.6	177.5	-177.8	-89.8	0	0	0	112.6	A435 D436 Y437 Y448 M474 I479	A435-Y439 VanDerWaalsContact O-CB 3.24Å; A435-Y439 WeakPolarHBondContact O-CB 3.49Å; A435-Y439 PolarHBondContact O-N 3.27Å; D436-Y439 PolarHBondContact O-N 2.85Å; Y437-Y439 VanDerWaalsContact C-N 3.35Å; Y439-Y448 AromaticContact CD2-CD1 3.79Å; Y439-Y448 HydrophobicContact CD2-CD1 3.79Å; Y439-Y448 AromaticContact CD2-CE1 3.91Å; Y439-Y448 HydrophobicContact CD2-CE1 3.91Å; Y439-Y448 HydrophobicContact CE2-CD1 4.07Å; Y439-Y448 AromaticContact CE2-CE1 3.94Å; Y439-Y448 HydrophobicContact CE2-CE1 3.94Å; Y439-Y448 HydrophobicContact CG-CE1 4.44Å; Y439-M474 HydrophobicContact CD2-CE 3.88Å; Y439-M474 HydrophobicContact CD2-SD 4.31Å; Y439-M474 HydrophobicContact CE2-CE 4.1Å; Y439-M474 HydrophobicContact CE2-CG 4.39Å; Y439-I479 HydrophobicContact CE2-CD1 4.37Å; Y439-I479 HydrophobicContact CE2-CG2 4.02Å
440	Y	95.2	Very high	93.7	Very high	143 Å²	143	53.4 Å²	53.4	56%	0.561	27%	0.268	S	S	*	.	H	α-helix	trans	-91	-8.4	-178	-68.9	-63.1	0	0	0	114.2	D436	D436-Y440 HydrophobicContact CB-CD2 4.29Å; D436-Y440 HydrophobicContact CB-CE2 4.46Å; D436-Y440 WeakPolarHBondContact O-CB 3.4Å; D436-Y440 WeakPolarHBondContact O-CD2 3.46Å; D436-Y440 PolarHBondContact O-N 2.81Å
441	G	92.8	Very high	94	Very high	27 Å²	27	53.4 Å²	53.4	28%	0.278	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	38.8	-175.6	0	0	0	0	0	113.5	Y437 T444	Y437-G441 CarbonylContact O-C 3.48Å; Y437-G441 WeakPolarHBondContact O-CA 3.46Å; Y437-G441 PolarHBondContact O-N 3.4Å; G441-T444 CarbonylContact C-O 3.6Å; G441-T444 WeakPolarHBondContact CA-O 3.35Å; G441-T444 VanDerWaalsContact O-O 3.1Å
442	K	90.1	Very high	94.1	Very high	93 Å²	93	51.9 Å²	51.9	40%	0.404	26%	0.263	S	S	.	.	S	Bend	trans	-90.1	111	179.3	-67.3	-176.7	-178.8	-176.3	0	109.8	N412 Y437 T444	N412-K442 HydrophobicContact CB-CB 4.28Å; Y437-K442 HydrophobicContact CD1-CB 3.79Å; Y437-K442 WeakPolarHBondContact CD1-O 3.33Å; Y437-K442 HydrophobicContact CE1-CB 4.16Å; Y437-K442 HydrophobicContact CG-CB 3.98Å; Y437-K442 PolarHBondContact O-N 3.29Å; K442-T444 PolarHBondContact O-N 3.14Å; K442-T444 VanDerWaalsContact O-N 3.11Å
443	G	83.7	Confident	94.1	Very high	22 Å²	22	53.7 Å²	53.7	23%	0.227	28%	0.279	C	S	.	.	S	Bend	trans	73.2	-7.1	-179.1	0	0	0	0	0	114.7	Q413	Q413-G443 VanDerWaalsContact CG-O 3.3Å; Q413-G443 WeakPolarHBondContact CG-O 3.18Å
444	T	87.6	Confident	94.1	Very high	38 Å²	38	51.2 Å²	51.2	23%	0.233	27%	0.268	C	S	.	.	S	Bend	trans	-138.7	157.9	171.5	47.2	0	0	0	0	109.7	L416 G441 K442	L416-T444 HydrophobicContact CD2-CG2 3.15Å; G441-T444 CarbonylContact C-O 3.6Å; G441-T444 WeakPolarHBondContact CA-O 3.35Å; G441-T444 VanDerWaalsContact O-O 3.1Å; K442-T444 PolarHBondContact O-N 3.14Å; K442-T444 VanDerWaalsContact O-N 3.11Å
445	P	91.7	Very high	94.2	Very high	111 Å²	111	51.4 Å²	51.4	72%	0.721	27%	0.269	S	S	*	.			trans	-57.6	154.3	166.4	26.7	-34.5	0	0	0	110.8	D447	P445-D447 PolarHBondContact O-N 3.16Å
446	V	94.6	Very high	94.2	Very high	78 Å²	78	55.2 Å²	55.2	47%	0.473	29%	0.286	S	S	.	.			trans	-63.2	123.1	177.4	177	0	0	0	0	109.4	H438 Y448	H438-V446 WeakPolarHBondContact O-CA 3.12Å; V446-Y448 HydrophobicContact CG1-CD1 4.12Å; V446-Y448 HydrophobicContact CG1-CD2 4.31Å; V446-Y448 HydrophobicContact CG1-CE1 3.63Å; V446-Y448 HydrophobicContact CG1-CE2 3.82Å; V446-Y448 HydrophobicContact CG1-CG 4.45Å; V446-Y448 VanDerWaalsContact CG1-CZ 3.46Å
447	D	95.7	Very high	94.1	Very high	67 Å²	67	56.4 Å²	56.4	36%	0.358	29%	0.294	S	S	.	.			trans	-137.3	101.3	177.3	-169.7	-24.4	0	0	0	109.8	H438 P445 E449 E450 A451	H438-D447 WeakPolarHBondContact CB-O 3.23Å; H438-D447 PolarHBondContact O-N 2.99Å; P445-D447 PolarHBondContact O-N 3.16Å; D447-E449 PolarHBondContact OD1-N 2.89Å; D447-E450 HydrophobicContact CB-CB 4.16Å; D447-E450 PolarHBondContact OD1-N 3.29Å; D447-A451 WeakPolarHBondContact O-CB 3.33Å; D447-A451 PolarHBondContact O-N 3.38Å; D447-A451 VanDerWaalsContact O-N 3.17Å
448	Y	96.5	Very high	94	Very high	98 Å²	98	55 Å²	55	38%	0.384	29%	0.288	S	S	.	.	H	α-helix	trans	-75.6	-25.4	-178.6	-59.7	-57.5	0	0	0	112.9	Y439 V446 V452 M474 I479 G480	Y439-Y448 AromaticContact CD2-CD1 3.79Å; Y439-Y448 HydrophobicContact CD2-CD1 3.79Å; Y439-Y448 AromaticContact CD2-CE1 3.91Å; Y439-Y448 HydrophobicContact CD2-CE1 3.91Å; Y439-Y448 HydrophobicContact CE2-CD1 4.07Å; Y439-Y448 AromaticContact CE2-CE1 3.94Å; Y439-Y448 HydrophobicContact CE2-CE1 3.94Å; Y439-Y448 HydrophobicContact CG-CE1 4.44Å; V446-Y448 HydrophobicContact CG1-CD1 4.12Å; V446-Y448 HydrophobicContact CG1-CD2 4.31Å; V446-Y448 HydrophobicContact CG1-CE1 3.63Å; V446-Y448 HydrophobicContact CG1-CE2 3.82Å; V446-Y448 HydrophobicContact CG1-CG 4.45Å; V446-Y448 VanDerWaalsContact CG1-CZ 3.46Å; Y448-V452 WeakPolarHBondContact O-CB 2.82Å; Y448-V452 WeakPolarHBondContact O-CG2 3.44Å; Y448-V452 PolarHBondContact O-N 3.37Å; Y448-M474 HydrophobicContact CD1-CE 4.41Å; Y448-I479 HydrophobicContact CD1-CG2 3.27Å; Y448-I479 HydrophobicContact CD2-CG2 3.76Å; Y448-I479 HydrophobicContact CE1-CG2 3.51Å; Y448-I479 HydrophobicContact CE2-CG2 3.98Å; Y448-I479 HydrophobicContact CG-CG2 3.4Å; Y448-G480 VanDerWaalsContact CB-CA 3.5Å
449	E	95	Very high	93.7	Very high	148 Å²	148	54 Å²	54	69%	0.692	28%	0.284	S	S	*	.	H	α-helix	trans	-72.4	-44	-180	-64.5	-173.3	176.6	0	0	110	D447 V452 A453	D447-E449 PolarHBondContact OD1-N 2.89Å; E449-V452 WeakPolarHBondContact O-CB 3.17Å; E449-V452 PolarHBondContact O-N 3.45Å; E449-A453 PolarHBondContact O-N 3.48Å
450	E	94.3	Very high	93.4	Very high	80 Å²	80	58.8 Å²	58.8	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-67.4	-37.6	175.6	-170.2	57	-147.8	0	0	111.9	D447 V452 A453 N454	D447-E450 HydrophobicContact CB-CB 4.16Å; D447-E450 PolarHBondContact OD1-N 3.29Å; E450-V452 VanDerWaalsContact C-N 3.33Å; E450-V452 PolarHBondContact O-N 3.02Å; E450-A453 PolarHBondContact O-N 3.26Å; E450-N454 PolarHBondContact O-N 3.23Å; E450-N454 PolarHBondContact O-ND2 3.31Å; E450-N454 PolarHBondContact OE1-ND2 3.2Å
451	A	96.5	Very high	92.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-45.3	172.9	0	0	0	0	0	111.5	A435 H438 D447 N454 Y455	A435-A451 WeakPolarHBondContact CB-O 3.26Å; A435-A451 WeakPolarHBondContact O-CB 3.32Å; H438-A451 HydrophobicContact CB-CB 4Å; D447-A451 WeakPolarHBondContact O-CB 3.33Å; D447-A451 PolarHBondContact O-N 3.38Å; D447-A451 VanDerWaalsContact O-N 3.17Å; A451-N454 PolarHBondContact O-N 2.94Å; A451-Y455 HydrophobicContact CB-CE2 4.42Å; A451-Y455 WeakPolarHBondContact O-CD2 3.47Å; A451-Y455 PolarHBondContact O-N 2.83Å
452	V	96	Very high	92.4	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-45.9	176.5	165.2	0	0	0	0	111.4	Y448 E449 E450 N454 Y455 K456 L471 M474 I481	Y448-V452 WeakPolarHBondContact O-CB 2.82Å; Y448-V452 WeakPolarHBondContact O-CG2 3.44Å; Y448-V452 PolarHBondContact O-N 3.37Å; E449-V452 WeakPolarHBondContact O-CB 3.17Å; E449-V452 PolarHBondContact O-N 3.45Å; E450-V452 VanDerWaalsContact C-N 3.33Å; E450-V452 PolarHBondContact O-N 3.02Å; V452-N454 VanDerWaalsContact C-N 3.31Å; V452-N454 PolarHBondContact O-N 3.42Å; V452-Y455 PolarHBondContact O-N 3.1Å; V452-K456 HydrophobicContact CG1-CD 3.96Å; V452-K456 HydrophobicContact CG1-CG 4.26Å; V452-K456 WeakPolarHBondContact O-CB 3.43Å; V452-K456 WeakPolarHBondContact O-CG 3.47Å; V452-K456 PolarHBondContact O-N 3.02Å; V452-L471 HydrophobicContact CG1-CD2 4.44Å; V452-M474 HydrophobicContact CG2-CE 3.39Å; V452-M474 HydrophobicContact CG2-SD 3.74Å; V452-I481 HydrophobicContact CB-CD1 4.09Å; V452-I481 HydrophobicContact CB-CG1 4.12Å; V452-I481 HydrophobicContact CG1-CD1 3.3Å; V452-I481 HydrophobicContact CG1-CG1 3.65Å; V452-I481 HydrophobicContact CG2-CD1 3.6Å; V452-I481 HydrophobicContact CG2-CG1 3.39Å
453	A	95.2	Very high	92.3	Very high	42 Å²	42	64 Å²	64	35%	0.347	33%	0.327	S	S	.	.	H	α-helix	trans	-57	-48	179.8	0	0	0	0	0	110.6	E449 E450 K456 V457	E449-A453 PolarHBondContact O-N 3.48Å; E450-A453 PolarHBondContact O-N 3.26Å; A453-K456 PolarHBondContact O-N 2.67Å; A453-V457 VanDerWaalsContact O-CG2 3.31Å; A453-V457 WeakPolarHBondContact O-CG2 3.32Å; A453-V457 PolarHBondContact O-N 2.94Å
454	N	95.8	Very high	92.6	Very high	9 Å²	9	64.1 Å²	64.1	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-40.8	178.7	-78.5	-73.7	0	0	0	113	R431 A435 E450 A451 V452 K456 V457 A458	R431-N454 HydrophobicContact CG-CB 4.19Å; R431-N454 PolarHBondContact NE-OD1 3.44Å; A435-N454 HydrophobicContact CB-CB 3.79Å; E450-N454 PolarHBondContact O-N 3.23Å; E450-N454 PolarHBondContact O-ND2 3.31Å; E450-N454 PolarHBondContact OE1-ND2 3.2Å; A451-N454 PolarHBondContact O-N 2.94Å; V452-N454 VanDerWaalsContact C-N 3.31Å; V452-N454 PolarHBondContact O-N 3.42Å; N454-K456 PolarHBondContact O-N 3.01Å; N454-V457 PolarHBondContact O-N 3.4Å; N454-A458 WeakPolarHBondContact O-CB 3.49Å; N454-A458 PolarHBondContact O-N 3.46Å
455	Y	97.1	Very high	92.8	Very high	5 Å²	5	63 Å²	63	2%	0.02	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-40.1	173.4	-72.2	-50.6	0	0	0	112.7	V432 A435 D436 A451 V452 A458 S459 A467 N470 M474	V432-Y455 HydrophobicContact CG1-CE1 4.12Å; A435-Y455 HydrophobicContact CB-CD1 3.5Å; A435-Y455 VanDerWaalsContact CB-CD1 3.5Å; A435-Y455 HydrophobicContact CB-CD2 3.82Å; A435-Y455 HydrophobicContact CB-CE1 3.38Å; A435-Y455 HydrophobicContact CB-CE2 3.72Å; A435-Y455 HydrophobicContact CB-CG 3.7Å; A435-Y455 VanDerWaalsContact CB-CZ 3.48Å; D436-Y455 PolarHBondContact OD1-OH 3.23Å; A451-Y455 HydrophobicContact CB-CE2 4.42Å; A451-Y455 WeakPolarHBondContact O-CD2 3.47Å; A451-Y455 PolarHBondContact O-N 2.83Å; V452-Y455 PolarHBondContact O-N 3.1Å; Y455-A458 PolarHBondContact O-N 2.83Å; Y455-S459 WeakPolarHBondContact O-CB 3.5Å; Y455-S459 PolarHBondContact O-N 3.44Å; Y455-S459 PolarHBondContact O-OG 3.4Å; Y455-A467 HydrophobicContact CD1-CB 4.15Å; Y455-N470 HydrophobicContact CD1-CB 4.14Å; Y455-N470 HydrophobicContact CD2-CB 4.34Å; Y455-N470 HydrophobicContact CE1-CB 3.78Å; Y455-N470 WeakPolarHBondContact CE1-ND2 3.49Å; Y455-N470 HydrophobicContact CE2-CB 4.01Å; Y455-N470 HydrophobicContact CG-CB 4.42Å; Y455-N470 VanDerWaalsContact CZ-ND2 3.28Å; Y455-N470 PolarHBondContact OH-ND2 2.64Å; Y455-M474 HydrophobicContact CD2-SD 3.77Å; Y455-M474 HydrophobicContact CE2-SD 3.84Å
456	K	95.1	Very high	92.9	Very high	80 Å²	80	62.4 Å²	62.4	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-50.4	176.2	-78.9	-179.7	179.4	176	0	110.6	V452 A453 N454 A458 S459 E460 L471	V452-K456 HydrophobicContact CG1-CD 3.96Å; V452-K456 HydrophobicContact CG1-CG 4.26Å; V452-K456 WeakPolarHBondContact O-CB 3.43Å; V452-K456 WeakPolarHBondContact O-CG 3.47Å; V452-K456 PolarHBondContact O-N 3.02Å; A453-K456 PolarHBondContact O-N 2.67Å; N454-K456 PolarHBondContact O-N 3.01Å; K456-A458 VanDerWaalsContact C-N 3.3Å; K456-A458 PolarHBondContact O-N 3.06Å; K456-S459 PolarHBondContact O-N 3.21Å; K456-S459 VanDerWaalsContact O-N 3.09Å; K456-S459 PolarHBondContact O-OG 3.39Å; K456-E460 WeakPolarHBondContact O-CB 3.47Å; K456-E460 WeakPolarHBondContact O-CG 3.49Å; K456-E460 PolarHBondContact O-N 2.98Å; K456-L471 HydrophobicContact CG-CD1 4.17Å; K456-L471 HydrophobicContact CG-CD2 4.03Å
457	V	93.7	Very high	92.9	Very high	46 Å²	46	58.7 Å²	58.7	28%	0.279	28%	0.282	S	S	.	.	H	α-helix	trans	-57.8	-42.7	176.6	176.9	0	0	0	0	111.3	R431 A453 N454 L461	R431-V457 VanDerWaalsContact CD-CG1 3.49Å; A453-V457 VanDerWaalsContact O-CG2 3.31Å; A453-V457 WeakPolarHBondContact O-CG2 3.32Å; A453-V457 PolarHBondContact O-N 2.94Å; N454-V457 PolarHBondContact O-N 3.4Å; V457-L461 HydrophobicContact CG1-CD1 3.78Å; V457-L461 HydrophobicContact CG1-CG 4.35Å; V457-L461 WeakPolarHBondContact O-CB 3.48Å; V457-L461 PolarHBondContact O-N 3.44Å
458	A	93.8	Very high	92.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-33.5	177.1	0	0	0	0	0	113.7	R431 V432 N454 Y455 K456 Q462 R463 N464 A467	R431-A458 HydrophobicContact CB-CB 4.28Å; R431-A458 HydrophobicContact CG-CB 4.17Å; V432-A458 HydrophobicContact CG2-CB 4.02Å; N454-A458 WeakPolarHBondContact O-CB 3.49Å; N454-A458 PolarHBondContact O-N 3.46Å; Y455-A458 PolarHBondContact O-N 2.83Å; K456-A458 VanDerWaalsContact C-N 3.3Å; K456-A458 PolarHBondContact O-N 3.06Å; A458-Q462 VanDerWaalsContact CA-OE1 3.32Å; A458-Q462 CarbonylContact O-C 3.46Å; A458-Q462 WeakPolarHBondContact O-CB 3.49Å; A458-R463 PolarHBondContact O-N 3.38Å; A458-N464 HydrophobicContact CB-CB 4.44Å; A458-N464 WeakPolarHBondContact O-CB 3.42Å; A458-N464 PolarHBondContact O-N 3.35Å; A458-A467 HydrophobicContact CB-CB 3.71Å
459	S	91.6	Very high	92.9	Very high	5 Å²	5	53.4 Å²	53.4	4%	0.035	26%	0.258	C	S	.	.	H	α-helix	trans	-77	-44.2	178.3	73.9	0	0	0	0	112.3	Y455 K456 R463 M468 L471	Y455-S459 WeakPolarHBondContact O-CB 3.5Å; Y455-S459 PolarHBondContact O-N 3.44Å; Y455-S459 PolarHBondContact O-OG 3.4Å; K456-S459 PolarHBondContact O-N 3.21Å; K456-S459 VanDerWaalsContact O-N 3.09Å; K456-S459 PolarHBondContact O-OG 3.39Å; S459-R463 VanDerWaalsContact O-CA 3.23Å; S459-R463 WeakPolarHBondContact O-CA 3.32Å; S459-R463 PolarHBondContact O-N 3.31Å; S459-M468 VanDerWaalsContact O-CE 3.32Å; S459-M468 WeakPolarHBondContact O-CE 3.49Å; S459-L471 WeakPolarHBondContact OG-CD1 3.38Å
460	E	89.3	Confident	92.9	Very high	135 Å²	135	47.4 Å²	47.4	63%	0.631	23%	0.231	S	C	*	.	H	α-helix	trans	-82.1	-52.1	-173	-68.6	177	-179.6	0	0	112	K456	K456-E460 WeakPolarHBondContact O-CB 3.47Å; K456-E460 WeakPolarHBondContact O-CG 3.49Å; K456-E460 PolarHBondContact O-N 2.98Å
461	L	85.1	Confident	93	Very high	138 Å²	138	43.6 Å²	43.6	72%	0.723	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-39	-176	-61.1	-175.3	0	0	0	112	V457	V457-L461 HydrophobicContact CG1-CD1 3.78Å; V457-L461 HydrophobicContact CG1-CG 4.35Å; V457-L461 WeakPolarHBondContact O-CB 3.48Å; V457-L461 PolarHBondContact O-N 3.44Å
462	Q	82.6	Confident	92.9	Very high	45 Å²	45	43.6 Å²	43.6	21%	0.21	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.2	-170.4	-63.6	163.6	-33.4	0	0	113.7	G426 S427 S428 A458 N464	G426-Q462 PolarHBondContact O-NE2 3.4Å; S427-Q462 PolarHBondContact O-NE2 3.5Å; S428-Q462 VanDerWaalsContact CA-CD 3.41Å; S428-Q462 VanDerWaalsContact CB-CB 3.45Å; A458-Q462 VanDerWaalsContact CA-OE1 3.32Å; A458-Q462 CarbonylContact O-C 3.46Å; A458-Q462 WeakPolarHBondContact O-CB 3.49Å; Q462-N464 VanDerWaalsContact C-N 3.34Å; Q462-N464 PolarHBondContact O-N 3.36Å
463	R	88.4	Confident	92.9	Very high	188 Å²	188	47.2 Å²	47.2	71%	0.709	23%	0.226	S	C	*	.			trans	49.8	50.2	-178.4	-69	-176.2	165.9	-178.2	-5.2	112.9	A458 S459 M468 V498	A458-R463 PolarHBondContact O-N 3.38Å; S459-R463 VanDerWaalsContact O-CA 3.23Å; S459-R463 WeakPolarHBondContact O-CA 3.32Å; S459-R463 PolarHBondContact O-N 3.31Å; R463-M468 HydrophobicContact CB-CE 4.38Å; R463-V498 WeakPolarHBondContact O-CG1 3.48Å
464	N	89.9	Confident	92.9	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	21%	0.21	C	C	.	.			trans	-85.9	120.3	177.4	-169.1	-36.7	0	0	0	111.5	S428 V432 A458 Q462 Q466 A467 M468	S428-N464 PolarHBondContact O-ND2 3.46Å; S428-N464 PolarHBondContact OG-ND2 3.12Å; V432-N464 HydrophobicContact CG2-CB 4.43Å; V432-N464 WeakPolarHBondContact CG2-ND2 3.17Å; A458-N464 HydrophobicContact CB-CB 4.44Å; A458-N464 WeakPolarHBondContact O-CB 3.42Å; A458-N464 PolarHBondContact O-N 3.35Å; Q462-N464 VanDerWaalsContact C-N 3.34Å; Q462-N464 PolarHBondContact O-N 3.36Å; N464-Q466 VanDerWaalsContact C-N 3.34Å; N464-Q466 PolarHBondContact O-N 2.87Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.41Å; N464-Q466 PolarHBondContact OD1-N 2.9Å; N464-A467 HydrophobicContact CB-CB 4.04Å; N464-A467 WeakPolarHBondContact O-CB 3.36Å; N464-A467 PolarHBondContact O-N 3.48Å; N464-M468 WeakPolarHBondContact O-CG 3.48Å; N464-M468 PolarHBondContact O-N 3Å; N464-M468 VanDerWaalsContact O-N 3.12Å
465	A	91.7	Very high	92.8	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-34.9	-179.9	0	0	0	0	0	113.4	A467 M468 F469 V498	A465-A467 VanDerWaalsContact C-N 3.34Å; A465-M468 PolarHBondContact O-N 3.33Å; A465-F469 PolarHBondContact O-N 3.33Å; A465-V498 HydrophobicContact CB-CB 4.23Å; A465-V498 HydrophobicContact CB-CG1 3.94Å
466	Q	93.3	Very high	92.7	Very high	100 Å²	100	45.2 Å²	45.2	47%	0.467	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-40.4	176.6	-174.2	64.6	38.1	0	0	111	V432 N464 F469 N470	V432-Q466 HydrophobicContact CG1-CB 4.43Å; V432-Q466 HydrophobicContact CG1-CG 3.93Å; N464-Q466 VanDerWaalsContact C-N 3.34Å; N464-Q466 PolarHBondContact O-N 2.87Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.41Å; N464-Q466 PolarHBondContact OD1-N 2.9Å; Q466-F469 PolarHBondContact O-N 3.2Å; Q466-N470 PolarHBondContact NE2-OD1 2.94Å; Q466-N470 WeakPolarHBondContact O-CB 3.45Å; Q466-N470 VanDerWaalsContact O-CG 3.27Å; Q466-N470 PolarHBondContact O-N 3.11Å; Q466-N470 PolarHBondContact O-OD1 2.78Å
467	A	95.3	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-42.7	176.1	0	0	0	0	0	111.5	V432 Y455 A458 N464 A465 N470 L471	V432-A467 HydrophobicContact CG2-CB 3.81Å; Y455-A467 HydrophobicContact CD1-CB 4.15Å; A458-A467 HydrophobicContact CB-CB 3.71Å; N464-A467 HydrophobicContact CB-CB 4.04Å; N464-A467 WeakPolarHBondContact O-CB 3.36Å; N464-A467 PolarHBondContact O-N 3.48Å; A465-A467 VanDerWaalsContact C-N 3.34Å; A467-N470 PolarHBondContact O-N 2.57Å; A467-L471 WeakPolarHBondContact O-CB 3.31Å; A467-L471 WeakPolarHBondContact O-CG 3.42Å; A467-L471 PolarHBondContact O-N 3.25Å
468	M	95.4	Very high	92.5	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-45.2	175.5	-67	172	-177	0	0	111.3	S459 R463 N464 A465 L471 G472 F491 M494 A495 V498	S459-M468 VanDerWaalsContact O-CE 3.32Å; S459-M468 WeakPolarHBondContact O-CE 3.49Å; R463-M468 HydrophobicContact CB-CE 4.38Å; N464-M468 WeakPolarHBondContact O-CG 3.48Å; N464-M468 PolarHBondContact O-N 3Å; N464-M468 VanDerWaalsContact O-N 3.12Å; A465-M468 PolarHBondContact O-N 3.33Å; M468-L471 PolarHBondContact O-N 3.01Å; M468-G472 PolarHBondContact O-N 3.5Å; M468-F491 HydrophobicContact CB-CD1 4.45Å; M468-F491 WeakPolarHBondContact O-CB 3.31Å; M468-M494 HydrophobicContact SD-CB 3.88Å; M468-A495 HydrophobicContact CB-CB 3.92Å; M468-V498 HydrophobicContact CE-CG2 3.78Å; M468-V498 HydrophobicContact SD-CB 4.29Å; M468-V498 HydrophobicContact SD-CG2 3.67Å
469	F	96	Very high	92.3	Very high	41 Å²	41	45 Å²	45	18%	0.18	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-47.1	176	-174.9	-90.3	0	0	0	112	A465 Q466 L471 G472 Y473 Y492 A495 P505 V506 A509	A465-F469 PolarHBondContact O-N 3.33Å; Q466-F469 PolarHBondContact O-N 3.2Å; F469-L471 PolarHBondContact O-N 3.22Å; F469-G472 PolarHBondContact O-N 3.33Å; F469-G472 VanDerWaalsContact O-N 3.16Å; F469-Y473 PolarHBondContact O-N 2.94Å; F469-Y492 AromaticContact CD2-CD1 3.62Å; F469-Y492 HydrophobicContact CD2-CD1 3.62Å; F469-Y492 AromaticContact CD2-CE1 3.68Å; F469-Y492 HydrophobicContact CD2-CE1 3.68Å; F469-Y492 AromaticContact CE2-CD1 3.86Å; F469-Y492 HydrophobicContact CE2-CD1 3.86Å; F469-Y492 AromaticContact CE2-CE1 3.66Å; F469-Y492 HydrophobicContact CE2-CE1 3.66Å; F469-Y492 HydrophobicContact CG-CD1 4.33Å; F469-Y492 HydrophobicContact CG-CE1 4.17Å; F469-Y492 HydrophobicContact CZ-CE1 4.13Å; F469-Y492 WeakPolarHBondContact O-CE1 3.38Å; F469-A495 HydrophobicContact CB-CB 4.43Å; F469-P505 HydrophobicContact CE2-CB 3.86Å; F469-P505 HydrophobicContact CZ-CB 4.04Å; F469-V506 HydrophobicContact CD2-CG2 3.76Å; F469-V506 HydrophobicContact CE2-CG2 4.13Å; F469-A509 HydrophobicContact CE2-CB 4.12Å; F469-A509 HydrophobicContact CZ-CB 4.41Å
470	N	95.5	Very high	92.2	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-40.4	179.4	-69.8	2.5	0	0	0	111.5	Y455 Q466 A467 G472 Y473 M474	Y455-N470 HydrophobicContact CD1-CB 4.14Å; Y455-N470 HydrophobicContact CD2-CB 4.34Å; Y455-N470 HydrophobicContact CE1-CB 3.78Å; Y455-N470 WeakPolarHBondContact CE1-ND2 3.49Å; Y455-N470 HydrophobicContact CE2-CB 4.01Å; Y455-N470 HydrophobicContact CG-CB 4.42Å; Y455-N470 VanDerWaalsContact CZ-ND2 3.28Å; Y455-N470 PolarHBondContact OH-ND2 2.64Å; Q466-N470 PolarHBondContact NE2-OD1 2.94Å; Q466-N470 WeakPolarHBondContact O-CB 3.45Å; Q466-N470 VanDerWaalsContact O-CG 3.27Å; Q466-N470 PolarHBondContact O-N 3.11Å; Q466-N470 PolarHBondContact O-OD1 2.78Å; A467-N470 PolarHBondContact O-N 2.57Å; N470-G472 VanDerWaalsContact C-N 3.35Å; N470-G472 PolarHBondContact O-N 3.27Å; N470-Y473 WeakPolarHBondContact O-CB 3.5Å; N470-Y473 PolarHBondContact O-N 2.97Å; N470-M474 WeakPolarHBondContact O-CG 3.14Å; N470-M474 PolarHBondContact O-N 3.32Å
471	L	95.5	Very high	92.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-40.3	172.6	-76.5	168.3	0	0	0	112.4	V452 K456 S459 A467 M468 F469 Y473 M474 H475 I481 F491	V452-L471 HydrophobicContact CG1-CD2 4.44Å; K456-L471 HydrophobicContact CG-CD1 4.17Å; K456-L471 HydrophobicContact CG-CD2 4.03Å; S459-L471 WeakPolarHBondContact OG-CD1 3.38Å; A467-L471 WeakPolarHBondContact O-CB 3.31Å; A467-L471 WeakPolarHBondContact O-CG 3.42Å; A467-L471 PolarHBondContact O-N 3.25Å; M468-L471 PolarHBondContact O-N 3.01Å; F469-L471 PolarHBondContact O-N 3.22Å; L471-Y473 VanDerWaalsContact C-N 3.3Å; L471-Y473 PolarHBondContact O-N 3.33Å; L471-M474 PolarHBondContact O-N 3.11Å; L471-H475 PolarHBondContact O-CD2 2.98Å; L471-H475 VanDerWaalsContact O-CD2 3.26Å; L471-H475 PolarHBondContact O-N 3.19Å; L471-I481 HydrophobicContact CD2-CD1 4.4Å; L471-F491 HydrophobicContact CB-CD1 3.98Å; L471-F491 HydrophobicContact CB-CD2 4.29Å; L471-F491 HydrophobicContact CB-CE1 4.11Å; L471-F491 HydrophobicContact CB-CE2 4.4Å; L471-F491 HydrophobicContact CB-CG 4.1Å; L471-F491 HydrophobicContact CB-CZ 4.33Å; L471-F491 HydrophobicContact CD1-CD1 4.27Å; L471-F491 HydrophobicContact CD1-CE1 3.74Å; L471-F491 HydrophobicContact CD1-CZ 4.1Å
472	G	94.8	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.4	-47.1	173.6	0	0	0	0	0	111.4	M468 F469 N470 H475 E476 A488	M468-G472 PolarHBondContact O-N 3.5Å; F469-G472 PolarHBondContact O-N 3.33Å; F469-G472 VanDerWaalsContact O-N 3.16Å; N470-G472 VanDerWaalsContact C-N 3.35Å; N470-G472 PolarHBondContact O-N 3.27Å; G472-H475 PolarHBondContact O-N 3.07Å; G472-E476 WeakPolarHBondContact O-CB 3.42Å; G472-E476 PolarHBondContact O-N 3.42Å; G472-A488 WeakPolarHBondContact O-CB 3.47Å
473	Y	95.4	Very high	93.2	Very high	83 Å²	83	49.5 Å²	49.5	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-42.1	176.2	-179.8	-95.9	0	0	0	113	F469 N470 L471 H475 E476 Q477 I479 Y492	F469-Y473 PolarHBondContact O-N 2.94Å; N470-Y473 WeakPolarHBondContact O-CB 3.5Å; N470-Y473 PolarHBondContact O-N 2.97Å; L471-Y473 VanDerWaalsContact C-N 3.3Å; L471-Y473 PolarHBondContact O-N 3.33Å; Y473-H475 PolarHBondContact O-N 3.39Å; Y473-E476 WeakPolarHBondContact O-CB 3.46Å; Y473-E476 PolarHBondContact O-N 2.92Å; Y473-Q477 HydrophobicContact CD1-CG 4.38Å; Y473-Q477 HydrophobicContact CD2-CG 4.39Å; Y473-Q477 HydrophobicContact CE1-CG 3.89Å; Y473-Q477 HydrophobicContact CE2-CG 3.94Å; Y473-Q477 PolarHBondContact O-N 3.35Å; Y473-I479 HydrophobicContact CE1-CD1 4.21Å; Y473-Y492 VanDerWaalsContact CA-OH 3.23Å; Y473-Y492 WeakPolarHBondContact CA-OH 3.42Å; Y473-Y492 PolarHBondContact N-OH 3.2Å
474	M	95.2	Very high	93.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-39.3	177.3	-69.5	-174.6	88.6	0	0	112	Y439 Y448 V452 Y455 N470 L471 G478 I479	Y439-M474 HydrophobicContact CD2-CE 3.88Å; Y439-M474 HydrophobicContact CD2-SD 4.31Å; Y439-M474 HydrophobicContact CE2-CE 4.1Å; Y439-M474 HydrophobicContact CE2-CG 4.39Å; Y448-M474 HydrophobicContact CD1-CE 4.41Å; V452-M474 HydrophobicContact CG2-CE 3.39Å; V452-M474 HydrophobicContact CG2-SD 3.74Å; Y455-M474 HydrophobicContact CD2-SD 3.77Å; Y455-M474 HydrophobicContact CE2-SD 3.84Å; N470-M474 WeakPolarHBondContact O-CG 3.14Å; N470-M474 PolarHBondContact O-N 3.32Å; L471-M474 PolarHBondContact O-N 3.11Å; M474-G478 WeakPolarHBondContact O-CA 3.44Å; M474-G478 PolarHBondContact O-N 2.82Å; M474-I479 HydrophobicContact CE-CB 4.36Å; M474-I479 HydrophobicContact CE-CG2 4Å; M474-I479 VanDerWaalsContact CE-O 3.31Å; M474-I479 WeakPolarHBondContact CE-O 3.44Å; M474-I479 PolarHBondContact O-N 3.45Å; M474-I479 VanDerWaalsContact O-N 3.14Å
475	H	95	Very high	93.4	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-67.6	-34.3	172.1	-82.2	-63.7	0	0	0	113.2	L471 G472 Y473 R483 D484 L487 A488 F491	L471-H475 PolarHBondContact O-CD2 2.98Å; L471-H475 VanDerWaalsContact O-CD2 3.26Å; L471-H475 PolarHBondContact O-N 3.19Å; G472-H475 PolarHBondContact O-N 3.07Å; Y473-H475 PolarHBondContact O-N 3.39Å; H475-R483 CarbonylContact O-C 3.02Å; H475-R483 VanDerWaalsContact O-CA 3.27Å; H475-R483 WeakPolarHBondContact O-CA 3.47Å; H475-D484 PolarHBondContact O-N 3.29Å; H475-L487 WeakPolarHBondContact CE1-CD2 3.45Å; H475-L487 WeakPolarHBondContact NE2-CD2 3.49Å; H475-A488 HydrophobicContact CB-CB 3.91Å; H475-F491 AromaticContact CD2-CD2 3.63Å; H475-F491 AromaticContact CD2-CE2 3.51Å; H475-F491 AromaticContact NE2-CE2 3.55Å
476	E	93.8	Very high	93.4	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-43.3	176.8	-172.9	-167.6	139	0	0	111.6	G472 Y473 R483 L485 A488 Y492 R512 L513 L516	G472-E476 WeakPolarHBondContact O-CB 3.42Å; G472-E476 PolarHBondContact O-N 3.42Å; Y473-E476 WeakPolarHBondContact O-CB 3.46Å; Y473-E476 PolarHBondContact O-N 2.92Å; E476-R483 WeakPolarHBondContact O-CD 3.47Å; E476-R483 WeakPolarHBondContact O-CG 3.26Å; E476-R483 PolarHBondContact O-NE 3.2Å; E476-L485 HydrophobicContact CG-CD2 4.17Å; E476-A488 HydrophobicContact CB-CB 4.03Å; E476-Y492 PolarHBondContact OE2-OH 2.87Å; E476-R512 WeakPolarHBondContact OE1-CD 3.36Å; E476-R512 IonicContact OE1-CZ 3.08Å; E476-R512 IonicContact OE1-NE 3.27Å; E476-R512 PolarHBondContact OE1-NE 3.34Å; E476-R512 IonicContact OE1-NH1 3.39Å; E476-R512 PolarHBondContact OE1-NH1 3.34Å; E476-R512 IonicContact OE1-NH2 3.84Å; E476-L513 HydrophobicContact CG-CD1 4.08Å; E476-L516 HydrophobicContact CG-CD1 4.46Å
477	Q	91.8	Very high	93.3	Very high	57 Å²	57	46.5 Å²	46.5	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-86.4	-28.1	-178.3	-60.3	-50.7	-48	0	0	113.3	Y473 I479 R512	Y473-Q477 HydrophobicContact CD1-CG 4.38Å; Y473-Q477 HydrophobicContact CD2-CG 4.39Å; Y473-Q477 HydrophobicContact CE1-CG 3.89Å; Y473-Q477 HydrophobicContact CE2-CG 3.94Å; Y473-Q477 PolarHBondContact O-N 3.35Å; Q477-I479 HydrophobicContact CB-CD1 3.59Å; Q477-I479 HydrophobicContact CB-CG1 3.69Å; Q477-I479 HydrophobicContact CG-CD1 4.1Å; Q477-R512 VanDerWaalsContact NE2-NH1 3.19Å; Q477-R512 VanDerWaalsContact NE2-NH2 3.18Å
478	G	92.5	Very high	93.3	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	36.8	-171.8	0	0	0	0	0	113.5	M474 I481	M474-G478 WeakPolarHBondContact O-CA 3.44Å; M474-G478 PolarHBondContact O-N 2.82Å; G478-I481 CarbonylContact C-O 3.48Å; G478-I481 WeakPolarHBondContact CA-O 3.34Å
479	I	90.9	Very high	93.3	Very high	35 Å²	35	50.5 Å²	50.5	18%	0.179	24%	0.24	C	C	.	.	S	Bend	trans	-95.8	120.9	-178.6	-59.7	166.2	0	0	0	108.3	Y439 Y448 Y473 M474 Q477 I481	Y439-I479 HydrophobicContact CE2-CD1 4.37Å; Y439-I479 HydrophobicContact CE2-CG2 4.02Å; Y448-I479 HydrophobicContact CD1-CG2 3.27Å; Y448-I479 HydrophobicContact CD2-CG2 3.76Å; Y448-I479 HydrophobicContact CE1-CG2 3.51Å; Y448-I479 HydrophobicContact CE2-CG2 3.98Å; Y448-I479 HydrophobicContact CG-CG2 3.4Å; Y473-I479 HydrophobicContact CE1-CD1 4.21Å; M474-I479 HydrophobicContact CE-CB 4.36Å; M474-I479 HydrophobicContact CE-CG2 4Å; M474-I479 VanDerWaalsContact CE-O 3.31Å; M474-I479 WeakPolarHBondContact CE-O 3.44Å; M474-I479 PolarHBondContact O-N 3.45Å; M474-I479 VanDerWaalsContact O-N 3.14Å; Q477-I479 HydrophobicContact CB-CD1 3.59Å; Q477-I479 HydrophobicContact CB-CG1 3.69Å; Q477-I479 HydrophobicContact CG-CD1 4.1Å; I479-I481 PolarHBondContact O-N 3.38Å
480	G	89.3	Confident	93.1	Very high	34 Å²	34	56.4 Å²	56.4	35%	0.351	26%	0.261	S	S	.	.	S	Bend	trans	65.6	-10.9	-177.6	0	0	0	0	0	115.5	Y448	Y448-G480 VanDerWaalsContact CB-CA 3.5Å
481	I	92.8	Very high	93.1	Very high	37 Å²	37	56.3 Å²	56.3	19%	0.19	26%	0.26	C	S	.	.	S	Bend	trans	-140.9	156.5	176.9	-39.4	178.8	0	0	0	108.7	V452 L471 G478 I479 R483	V452-I481 HydrophobicContact CB-CD1 4.09Å; V452-I481 HydrophobicContact CB-CG1 4.12Å; V452-I481 HydrophobicContact CG1-CD1 3.3Å; V452-I481 HydrophobicContact CG1-CG1 3.65Å; V452-I481 HydrophobicContact CG2-CD1 3.6Å; V452-I481 HydrophobicContact CG2-CG1 3.39Å; L471-I481 HydrophobicContact CD2-CD1 4.4Å; G478-I481 CarbonylContact C-O 3.48Å; G478-I481 WeakPolarHBondContact CA-O 3.34Å; I479-I481 PolarHBondContact O-N 3.38Å; I481-R483 PolarHBondContact O-N 2.87Å
482	R	91.7	Very high	93.1	Very high	223 Å²	223	56.4 Å²	56.4	84%	0.842	26%	0.26	S	S	*	.			trans	-55.3	131.8	169.1	-169.7	176.1	-176.8	175.3	1.5	111.2	D484	R482-D484 PolarHBondContact O-N 2.93Å
483	R	92.8	Very high	93	Very high	122 Å²	122	59.3 Å²	59.3	46%	0.46	28%	0.275	S	S	.	.			trans	-61.4	124.2	174.9	-176.8	172.1	166.1	143.1	-3.3	111	H475 E476 I481	H475-R483 CarbonylContact O-C 3.02Å; H475-R483 VanDerWaalsContact O-CA 3.27Å; H475-R483 WeakPolarHBondContact O-CA 3.47Å; E476-R483 WeakPolarHBondContact O-CD 3.47Å; E476-R483 WeakPolarHBondContact O-CG 3.26Å; E476-R483 PolarHBondContact O-NE 3.2Å; I481-R483 PolarHBondContact O-N 2.87Å
484	D	92.7	Very high	92.9	Very high	68 Å²	68	58.7 Å²	58.7	36%	0.364	28%	0.276	S	S	.	.			trans	-148.1	105.5	176.8	-172.4	-25.5	0	0	0	110	H475 R482 H486 L487 A488	H475-D484 PolarHBondContact O-N 3.29Å; R482-D484 PolarHBondContact O-N 2.93Å; D484-H486 VanDerWaalsContact C-N 3.31Å; D484-H486 PolarHBondContact O-N 3.32Å; D484-H486 PolarHBondContact OD1-N 3.24Å; D484-L487 HydrophobicContact CB-CB 3.94Å; D484-L487 PolarHBondContact O-N 2.81Å; D484-L487 PolarHBondContact OD1-N 3.07Å; D484-L487 VanDerWaalsContact OD1-N 3.11Å; D484-A488 WeakPolarHBondContact O-CB 3.32Å; D484-A488 PolarHBondContact O-N 3.45Å
485	L	90.3	Very high	92.8	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-29.4	-176.8	-60.1	-179.5	0	0	0	112.5	E476 K489 L513 F517	E476-L485 HydrophobicContact CG-CD2 4.17Å; L485-K489 PolarHBondContact O-N 3.47Å; L485-K489 VanDerWaalsContact O-N 3.08Å; L485-L513 HydrophobicContact CB-CD2 3.95Å; L485-L513 VanDerWaalsContact O-CD2 3.26Å; L485-L513 WeakPolarHBondContact O-CD2 3.37Å; L485-F517 HydrophobicContact CB-CE1 3.76Å; L485-F517 HydrophobicContact CB-CE2 4.46Å; L485-F517 HydrophobicContact CB-CZ 3.58Å; L485-F517 HydrophobicContact CD1-CD1 4.31Å; L485-F517 HydrophobicContact CD1-CE1 4.02Å
486	H	91.1	Very high	92.6	Very high	125 Å²	125	60.3 Å²	60.3	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-73.5	-41	178.8	-64.5	-65.5	0	0	0	110.8	D484 K489 R490 F517	D484-H486 VanDerWaalsContact C-N 3.31Å; D484-H486 PolarHBondContact O-N 3.32Å; D484-H486 PolarHBondContact OD1-N 3.24Å; H486-K489 PolarHBondContact O-N 3.48Å; H486-R490 WeakPolarHBondContact O-CG 3.5Å; H486-R490 PolarHBondContact O-N 3.18Å; H486-R490 VanDerWaalsContact O-N 3.1Å; H486-F517 AromaticContact CE1-CE1 3.69Å; H486-F517 AromaticContact CE1-CZ 3.83Å; H486-F517 AromaticContact ND1-CZ 3.81Å
487	L	92.6	Very high	92.4	Very high	54 Å²	54	68.1 Å²	68.1	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-39.1	175.7	-164.4	60.7	0	0	0	111.2	H475 D484 K489 R490 F491	H475-L487 WeakPolarHBondContact CE1-CD2 3.45Å; H475-L487 WeakPolarHBondContact NE2-CD2 3.49Å; D484-L487 HydrophobicContact CB-CB 3.94Å; D484-L487 PolarHBondContact O-N 2.81Å; D484-L487 PolarHBondContact OD1-N 3.07Å; D484-L487 VanDerWaalsContact OD1-N 3.11Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 3.25Å; L487-R490 WeakPolarHBondContact O-CB 3.21Å; L487-R490 PolarHBondContact O-N 3.04Å; L487-R490 VanDerWaalsContact O-N 3.17Å; L487-F491 HydrophobicContact CD1-CD2 4.49Å; L487-F491 HydrophobicContact CD1-CE2 4.15Å; L487-F491 HydrophobicContact CD2-CE2 4.27Å; L487-F491 HydrophobicContact CG-CD2 4.04Å; L487-F491 HydrophobicContact CG-CE2 3.81Å; L487-F491 VanDerWaalsContact O-CD2 3.32Å; L487-F491 WeakPolarHBondContact O-CD2 3.42Å; L487-F491 PolarHBondContact O-N 3.31Å
488	A	94.6	Very high	92.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-54.3	-49.1	172	0	0	0	0	0	112	G472 H475 E476 D484 R490 F491 Y492 L513	G472-A488 WeakPolarHBondContact O-CB 3.47Å; H475-A488 HydrophobicContact CB-CB 3.91Å; E476-A488 HydrophobicContact CB-CB 4.03Å; D484-A488 WeakPolarHBondContact O-CB 3.32Å; D484-A488 PolarHBondContact O-N 3.45Å; A488-R490 PolarHBondContact O-N 2.75Å; A488-F491 PolarHBondContact O-N 2.89Å; A488-Y492 HydrophobicContact CB-CE2 4.45Å; A488-Y492 VanDerWaalsContact O-CD2 3.24Å; A488-Y492 WeakPolarHBondContact O-CD2 3.38Å; A488-Y492 PolarHBondContact O-N 3.44Å; A488-L513 HydrophobicContact CB-CD1 4.33Å
489	K	94.6	Very high	91.9	Very high	96 Å²	96	68.2 Å²	68.2	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-57.1	-47.2	175.5	-175.6	-177.4	175.4	-174.8	0	112	L485 H486 L487 F491 Y492 D493 L510 L513	L485-K489 PolarHBondContact O-N 3.47Å; L485-K489 VanDerWaalsContact O-N 3.08Å; H486-K489 PolarHBondContact O-N 3.48Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 3.25Å; K489-F491 VanDerWaalsContact C-N 3.29Å; K489-F491 PolarHBondContact O-N 3.28Å; K489-Y492 PolarHBondContact O-N 2.92Å; K489-Y492 VanDerWaalsContact O-N 3.16Å; K489-D493 VanDerWaalsContact O-CG 3.31Å; K489-D493 PolarHBondContact O-N 2.97Å; K489-L510 HydrophobicContact CG-CD2 3.79Å; K489-L513 HydrophobicContact CB-CD2 4.35Å
490	R	93.2	Very high	91.6	Very high	164 Å²	164	70.1 Å²	70.1	62%	0.619	34%	0.337	S	S	*	.	H	α-helix	trans	-58.1	-42.2	178.8	-71.7	177.6	-179.7	-172.5	1.2	111.9	H486 L487 A488 D493 M494	H486-R490 WeakPolarHBondContact O-CG 3.5Å; H486-R490 PolarHBondContact O-N 3.18Å; H486-R490 VanDerWaalsContact O-N 3.1Å; L487-R490 WeakPolarHBondContact O-CB 3.21Å; L487-R490 PolarHBondContact O-N 3.04Å; L487-R490 VanDerWaalsContact O-N 3.17Å; A488-R490 PolarHBondContact O-N 2.75Å; R490-D493 PolarHBondContact O-N 3.3Å; R490-M494 WeakPolarHBondContact O-CB 3.34Å; R490-M494 VanDerWaalsContact O-CG 3.31Å; R490-M494 WeakPolarHBondContact O-CG 3.48Å; R490-M494 PolarHBondContact O-N 3.28Å
491	F	94.5	Very high	91.3	Very high	22 Å²	22	74.8 Å²	74.8	10%	0.096	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-39.8	176.9	-86.6	-65.8	0	0	0	112.9	M468 L471 H475 L487 A488 K489 M494 A495	M468-F491 HydrophobicContact CB-CD1 4.45Å; M468-F491 WeakPolarHBondContact O-CB 3.31Å; L471-F491 HydrophobicContact CB-CD1 3.98Å; L471-F491 HydrophobicContact CB-CD2 4.29Å; L471-F491 HydrophobicContact CB-CE1 4.11Å; L471-F491 HydrophobicContact CB-CE2 4.4Å; L471-F491 HydrophobicContact CB-CG 4.1Å; L471-F491 HydrophobicContact CB-CZ 4.33Å; L471-F491 HydrophobicContact CD1-CD1 4.27Å; L471-F491 HydrophobicContact CD1-CE1 3.74Å; L471-F491 HydrophobicContact CD1-CZ 4.1Å; H475-F491 AromaticContact CD2-CD2 3.63Å; H475-F491 AromaticContact CD2-CE2 3.51Å; H475-F491 AromaticContact NE2-CE2 3.55Å; L487-F491 HydrophobicContact CD1-CD2 4.49Å; L487-F491 HydrophobicContact CD1-CE2 4.15Å; L487-F491 HydrophobicContact CD2-CE2 4.27Å; L487-F491 HydrophobicContact CG-CD2 4.04Å; L487-F491 HydrophobicContact CG-CE2 3.81Å; L487-F491 VanDerWaalsContact O-CD2 3.32Å; L487-F491 WeakPolarHBondContact O-CD2 3.42Å; L487-F491 PolarHBondContact O-N 3.31Å; A488-F491 PolarHBondContact O-N 2.89Å; K489-F491 VanDerWaalsContact C-N 3.29Å; K489-F491 PolarHBondContact O-N 3.28Å; F491-M494 HydrophobicContact CB-CE 4.37Å; F491-M494 HydrophobicContact CD1-CE 3.31Å; F491-M494 HydrophobicContact CE1-CE 3.6Å; F491-M494 HydrophobicContact CG-CE 3.86Å; F491-M494 HydrophobicContact CZ-CE 4.38Å; F491-M494 PolarHBondContact O-N 3.45Å; F491-A495 PolarHBondContact O-N 2.75Å
492	Y	96	Very high	91.1	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-44.1	173.2	-66.4	-41.6	0	0	0	112.4	F469 Y473 E476 A488 K489 M494 A495 V496 V506 A509 L510 L513	F469-Y492 AromaticContact CD2-CD1 3.62Å; F469-Y492 HydrophobicContact CD2-CD1 3.62Å; F469-Y492 AromaticContact CD2-CE1 3.68Å; F469-Y492 HydrophobicContact CD2-CE1 3.68Å; F469-Y492 AromaticContact CE2-CD1 3.86Å; F469-Y492 HydrophobicContact CE2-CD1 3.86Å; F469-Y492 AromaticContact CE2-CE1 3.66Å; F469-Y492 HydrophobicContact CE2-CE1 3.66Å; F469-Y492 HydrophobicContact CG-CD1 4.33Å; F469-Y492 HydrophobicContact CG-CE1 4.17Å; F469-Y492 HydrophobicContact CZ-CE1 4.13Å; F469-Y492 WeakPolarHBondContact O-CE1 3.38Å; Y473-Y492 VanDerWaalsContact CA-OH 3.23Å; Y473-Y492 WeakPolarHBondContact CA-OH 3.42Å; Y473-Y492 PolarHBondContact N-OH 3.2Å; E476-Y492 PolarHBondContact OE2-OH 2.87Å; A488-Y492 HydrophobicContact CB-CE2 4.45Å; A488-Y492 VanDerWaalsContact O-CD2 3.24Å; A488-Y492 WeakPolarHBondContact O-CD2 3.38Å; A488-Y492 PolarHBondContact O-N 3.44Å; K489-Y492 PolarHBondContact O-N 2.92Å; K489-Y492 VanDerWaalsContact O-N 3.16Å; Y492-M494 PolarHBondContact O-N 2.98Å; Y492-A495 WeakPolarHBondContact O-CB 3.23Å; Y492-A495 PolarHBondContact O-N 2.91Å; Y492-V496 PolarHBondContact O-N 2.95Å; Y492-V506 HydrophobicContact CD1-CG2 4.43Å; Y492-V506 WeakPolarHBondContact O-CG2 3.42Å; Y492-A509 HydrophobicContact CD1-CB 4.3Å; Y492-A509 HydrophobicContact CD2-CB 4.06Å; Y492-A509 HydrophobicContact CE1-CB 3.97Å; Y492-A509 HydrophobicContact CE2-CB 3.71Å; Y492-A509 HydrophobicContact CG-CB 4.35Å; Y492-L510 HydrophobicContact CD2-CD2 4.47Å; Y492-L513 HydrophobicContact CD2-CD1 3.96Å; Y492-L513 HydrophobicContact CE2-CD1 3.49Å; Y492-L513 VanDerWaalsContact CE2-CD1 3.49Å
493	D	93.2	Very high	91	Very high	61 Å²	61	65.7 Å²	65.7	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-45	176.8	-67	-23.5	0	0	0	110.6	K489 R490 A495 V496 E497	K489-D493 VanDerWaalsContact O-CG 3.31Å; K489-D493 PolarHBondContact O-N 2.97Å; R490-D493 PolarHBondContact O-N 3.3Å; D493-A495 VanDerWaalsContact C-N 3.32Å; D493-A495 PolarHBondContact O-N 3.08Å; D493-V496 PolarHBondContact O-N 3.44Å; D493-E497 PolarHBondContact O-N 3.35Å; D493-E497 VanDerWaalsContact O-N 3.13Å
494	M	92.9	Very high	90.8	Very high	70 Å²	70	65.7 Å²	65.7	35%	0.345	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-37.9	174.6	-74	-172.6	-63.2	0	0	112.8	M468 R490 F491 Y492 V496 E497 V498	M468-M494 HydrophobicContact SD-CB 3.88Å; R490-M494 WeakPolarHBondContact O-CB 3.34Å; R490-M494 VanDerWaalsContact O-CG 3.31Å; R490-M494 WeakPolarHBondContact O-CG 3.48Å; R490-M494 PolarHBondContact O-N 3.28Å; F491-M494 HydrophobicContact CB-CE 4.37Å; F491-M494 HydrophobicContact CD1-CE 3.31Å; F491-M494 HydrophobicContact CE1-CE 3.6Å; F491-M494 HydrophobicContact CG-CE 3.86Å; F491-M494 HydrophobicContact CZ-CE 4.38Å; F491-M494 PolarHBondContact O-N 3.45Å; Y492-M494 PolarHBondContact O-N 2.98Å; M494-V496 VanDerWaalsContact C-N 3.3Å; M494-V496 PolarHBondContact O-N 3.39Å; M494-E497 PolarHBondContact O-N 3.17Å; M494-V498 WeakPolarHBondContact O-CG2 3.46Å; M494-V498 PolarHBondContact O-N 2.91Å
495	A	93.4	Very high	90.7	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-39.3	178	0	0	0	0	0	112	M468 F469 F491 Y492 D493 V498 S499 A502 V506	M468-A495 HydrophobicContact CB-CB 3.92Å; F469-A495 HydrophobicContact CB-CB 4.43Å; F491-A495 PolarHBondContact O-N 2.75Å; Y492-A495 WeakPolarHBondContact O-CB 3.23Å; Y492-A495 PolarHBondContact O-N 2.91Å; D493-A495 VanDerWaalsContact C-N 3.32Å; D493-A495 PolarHBondContact O-N 3.08Å; A495-V498 PolarHBondContact O-N 3.13Å; A495-S499 PolarHBondContact O-N 3.44Å; A495-A502 HydrophobicContact CB-CB 4.21Å; A495-V506 HydrophobicContact CB-CG2 4.13Å
496	V	90.1	Very high	90.8	Very high	46 Å²	46	64.1 Å²	64.1	28%	0.279	33%	0.33	S	S	.	.	H	α-helix	trans	-68.4	-38.6	176	177	0	0	0	0	111.9	Y492 D493 M494 V498 S499 T503 V506	Y492-V496 PolarHBondContact O-N 2.95Å; D493-V496 PolarHBondContact O-N 3.44Å; M494-V496 VanDerWaalsContact C-N 3.3Å; M494-V496 PolarHBondContact O-N 3.39Å; V496-V498 VanDerWaalsContact C-N 3.3Å; V496-V498 PolarHBondContact O-N 2.9Å; V496-S499 CarbonylContact O-C 3.17Å; V496-T503 HydrophobicContact CG1-CG2 3.75Å; V496-V506 HydrophobicContact CG2-CB 3.5Å; V496-V506 HydrophobicContact CG2-CG1 3.4Å; V496-V506 HydrophobicContact CG2-CG2 3.71Å
497	E	89.4	Confident	90.9	Very high	165 Å²	165	62.5 Å²	62.5	77%	0.771	33%	0.325	S	S	*	.	H	α-helix	trans	-64.3	-37	176.8	-70.6	-178.1	173.7	0	0	112.2	D493 M494	D493-E497 PolarHBondContact O-N 3.35Å; D493-E497 VanDerWaalsContact O-N 3.13Å; M494-E497 PolarHBondContact O-N 3.17Å
498	V	87.3	Confident	90.9	Very high	61 Å²	61	65.3 Å²	65.3	37%	0.37	34%	0.34	S	S	.	.	H	α-helix	trans	-77.3	-45.7	180	170.6	0	0	0	0	112.1	R463 A465 M468 M494 A495 V496	R463-V498 WeakPolarHBondContact O-CG1 3.48Å; A465-V498 HydrophobicContact CB-CB 4.23Å; A465-V498 HydrophobicContact CB-CG1 3.94Å; M468-V498 HydrophobicContact CE-CG2 3.78Å; M468-V498 HydrophobicContact SD-CB 4.29Å; M468-V498 HydrophobicContact SD-CG2 3.67Å; M494-V498 WeakPolarHBondContact O-CG2 3.46Å; M494-V498 PolarHBondContact O-N 2.91Å; A495-V498 PolarHBondContact O-N 3.13Å; V496-V498 VanDerWaalsContact C-N 3.3Å; V496-V498 PolarHBondContact O-N 2.9Å
499	S	86.7	Confident	90.7	Very high	30 Å²	30	65.8 Å²	65.8	21%	0.21	34%	0.344	C	S	.	.			trans	-133	123.9	-178.3	-176.1	0	0	0	0	111.9	A495 V496 D501 A502	A495-S499 PolarHBondContact O-N 3.44Å; V496-S499 CarbonylContact O-C 3.17Å; S499-D501 PolarHBondContact O-N 3.41Å; S499-D501 PolarHBondContact OG-N 3.39Å; S499-A502 WeakPolarHBondContact O-CB 3.15Å; S499-A502 PolarHBondContact O-N 3.28Å; S499-A502 VanDerWaalsContact O-N 3.1Å
500	P	84.6	Confident	90.6	Very high	74 Å²	74	63.2 Å²	63.2	48%	0.481	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.7	174.6	28.7	-34.7	0	0	0	112.4	A502 T503	P500-A502 PolarHBondContact O-N 3.28Å; P500-T503 WeakPolarHBondContact O-CB 3.47Å; P500-T503 WeakPolarHBondContact O-CG2 3.43Å; P500-T503 PolarHBondContact O-N 3.21Å; P500-T503 PolarHBondContact O-OG1 2.86Å
501	D	82.3	Confident	90.5	Very high	132 Å²	132	60.6 Å²	60.6	71%	0.706	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.4	178.2	-58.7	-23.8	0	0	0	111.6	S499 T503	S499-D501 PolarHBondContact O-N 3.41Å; S499-D501 PolarHBondContact OG-N 3.39Å; D501-T503 VanDerWaalsContact C-N 3.28Å; D501-T503 PolarHBondContact O-N 2.79Å
502	A	88	Confident	90.2	Very high	11 Å²	11	64.9 Å²	64.9	9%	0.091	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-77.2	-9.7	175.5	0	0	0	0	0	113.6	A495 S499 P500 L504 P505 V506	A495-A502 HydrophobicContact CB-CB 4.21Å; S499-A502 WeakPolarHBondContact O-CB 3.15Å; S499-A502 PolarHBondContact O-N 3.28Å; S499-A502 VanDerWaalsContact O-N 3.1Å; P500-A502 PolarHBondContact O-N 3.28Å; A502-L504 PolarHBondContact O-N 3.35Å; A502-P505 VanDerWaalsContact O-CD 3.26Å; A502-P505 WeakPolarHBondContact O-CD 3.31Å; A502-P505 WeakPolarHBondContact O-CG 3.44Å; A502-V506 HydrophobicContact CB-CG2 4.32Å; A502-V506 VanDerWaalsContact O-CB 3.24Å; A502-V506 WeakPolarHBondContact O-CB 3.4Å; A502-V506 VanDerWaalsContact O-CG2 3.24Å; A502-V506 WeakPolarHBondContact O-CG2 3.36Å; A502-V506 PolarHBondContact O-N 2.91Å
503	T	90.6	Very high	89.8	Confident	59 Å²	59	64.9 Å²	64.9	36%	0.362	35%	0.347	S	S	.	.	H	α-helix	trans	-55.7	-46.6	-175.3	48.2	0	0	0	0	113.7	V496 P500 D501 N507	V496-T503 HydrophobicContact CG1-CG2 3.75Å; P500-T503 WeakPolarHBondContact O-CB 3.47Å; P500-T503 WeakPolarHBondContact O-CG2 3.43Å; P500-T503 PolarHBondContact O-N 3.21Å; P500-T503 PolarHBondContact O-OG1 2.86Å; D501-T503 VanDerWaalsContact C-N 3.28Å; D501-T503 PolarHBondContact O-N 2.79Å; T503-N507 VanDerWaalsContact O-CB 3.29Å; T503-N507 WeakPolarHBondContact O-CB 3.48Å; T503-N507 PolarHBondContact O-N 2.91Å; T503-N507 PolarHBondContact O-ND2 3.38Å
504	L	88.1	Confident	89.5	Confident	122 Å²	122	65.3 Å²	65.3	64%	0.639	36%	0.355	S	S	*	.	H	α-helix	trans	-64.9	-56.5	-178.8	-176.6	72.2	0	0	0	112.9	A502 V506 N507 L508	A502-L504 PolarHBondContact O-N 3.35Å; L504-V506 VanDerWaalsContact C-N 3.3Å; L504-V506 PolarHBondContact O-N 3.33Å; L504-N507 PolarHBondContact O-N 3.34Å; L504-L508 PolarHBondContact O-N 3.48Å
505	P	91.3	Very high	89.2	Confident	52 Å²	52	68 Å²	68	34%	0.338	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-36.9	179.6	23.1	-33	0	0	0	112.3	F469 A502 L508 A509	F469-P505 HydrophobicContact CE2-CB 3.86Å; F469-P505 HydrophobicContact CZ-CB 4.04Å; A502-P505 VanDerWaalsContact O-CD 3.26Å; A502-P505 WeakPolarHBondContact O-CD 3.31Å; A502-P505 WeakPolarHBondContact O-CG 3.44Å; P505-L508 PolarHBondContact O-N 3.14Å; P505-A509 PolarHBondContact O-N 3.5Å
506	V	92.9	Very high	88.7	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-44.1	175.6	166	0	0	0	0	111.6	F469 Y492 A495 V496 A502 L504 L508 A509 L510	F469-V506 HydrophobicContact CD2-CG2 3.76Å; F469-V506 HydrophobicContact CE2-CG2 4.13Å; Y492-V506 HydrophobicContact CD1-CG2 4.43Å; Y492-V506 WeakPolarHBondContact O-CG2 3.42Å; A495-V506 HydrophobicContact CB-CG2 4.13Å; V496-V506 HydrophobicContact CG2-CB 3.5Å; V496-V506 HydrophobicContact CG2-CG1 3.4Å; V496-V506 HydrophobicContact CG2-CG2 3.71Å; A502-V506 HydrophobicContact CB-CG2 4.32Å; A502-V506 VanDerWaalsContact O-CB 3.24Å; A502-V506 WeakPolarHBondContact O-CB 3.4Å; A502-V506 VanDerWaalsContact O-CG2 3.24Å; A502-V506 WeakPolarHBondContact O-CG2 3.36Å; A502-V506 PolarHBondContact O-N 2.91Å; L504-V506 VanDerWaalsContact C-N 3.3Å; L504-V506 PolarHBondContact O-N 3.33Å; V506-L508 VanDerWaalsContact C-N 3.29Å; V506-L508 PolarHBondContact O-N 3.16Å; V506-A509 CarbonylContact O-C 3.1Å; V506-A509 PolarHBondContact O-N 2.81Å; V506-A509 VanDerWaalsContact O-N 3.12Å; V506-L510 HydrophobicContact CG1-CD1 3.67Å; V506-L510 HydrophobicContact CG1-CG 3.95Å; V506-L510 WeakPolarHBondContact O-CB 3.47Å; V506-L510 VanDerWaalsContact O-CG 3.31Å; V506-L510 WeakPolarHBondContact O-CG 3.36Å; V506-L510 PolarHBondContact O-N 3.26Å
507	N	92.8	Very high	88.4	Confident	91 Å²	91	70.7 Å²	70.7	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-40.8	177.5	-77.8	-21.7	0	0	0	112.1	T503 L504 L510 I511	T503-N507 VanDerWaalsContact O-CB 3.29Å; T503-N507 WeakPolarHBondContact O-CB 3.48Å; T503-N507 PolarHBondContact O-N 2.91Å; T503-N507 PolarHBondContact O-ND2 3.38Å; L504-N507 PolarHBondContact O-N 3.34Å; N507-L510 PolarHBondContact O-N 2.95Å; N507-I511 WeakPolarHBondContact O-CD1 3.16Å; N507-I511 VanDerWaalsContact O-CG1 3.24Å; N507-I511 WeakPolarHBondContact O-CG1 3.32Å; N507-I511 PolarHBondContact O-N 3.46Å
508	L	91.5	Very high	88	Confident	113 Å²	113	68 Å²	68	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-64	-43.1	174.9	-67.8	173.9	0	0	0	111.7	L504 P505 V506 I511 R512	L504-L508 PolarHBondContact O-N 3.48Å; P505-L508 PolarHBondContact O-N 3.14Å; V506-L508 VanDerWaalsContact C-N 3.29Å; V506-L508 PolarHBondContact O-N 3.16Å; L508-I511 PolarHBondContact O-N 3.03Å; L508-R512 PolarHBondContact O-N 3.42Å; L508-R512 VanDerWaalsContact O-N 3.1Å
509	A	91.7	Very high	87.5	Confident	10 Å²	10	67.9 Å²	67.9	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-41	176.3	0	0	0	0	0	112.2	F469 Y492 P505 V506 R512 L513	F469-A509 HydrophobicContact CE2-CB 4.12Å; F469-A509 HydrophobicContact CZ-CB 4.41Å; Y492-A509 HydrophobicContact CD1-CB 4.3Å; Y492-A509 HydrophobicContact CD2-CB 4.06Å; Y492-A509 HydrophobicContact CE1-CB 3.97Å; Y492-A509 HydrophobicContact CE2-CB 3.71Å; Y492-A509 HydrophobicContact CG-CB 4.35Å; P505-A509 PolarHBondContact O-N 3.5Å; V506-A509 CarbonylContact O-C 3.1Å; V506-A509 PolarHBondContact O-N 2.81Å; V506-A509 VanDerWaalsContact O-N 3.12Å; A509-R512 WeakPolarHBondContact O-CB 3.02Å; A509-R512 PolarHBondContact O-N 3.09Å; A509-L513 PolarHBondContact O-N 3.02Å
510	L	91.7	Very high	86.8	Confident	42 Å²	42	69.5 Å²	69.5	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-37	177.1	-70.8	176.8	0	0	0	112.6	K489 Y492 V506 N507 R512 L513 S514	K489-L510 HydrophobicContact CG-CD2 3.79Å; Y492-L510 HydrophobicContact CD2-CD2 4.47Å; V506-L510 HydrophobicContact CG1-CD1 3.67Å; V506-L510 HydrophobicContact CG1-CG 3.95Å; V506-L510 WeakPolarHBondContact O-CB 3.47Å; V506-L510 VanDerWaalsContact O-CG 3.31Å; V506-L510 WeakPolarHBondContact O-CG 3.36Å; V506-L510 PolarHBondContact O-N 3.26Å; N507-L510 PolarHBondContact O-N 2.95Å; L510-R512 VanDerWaalsContact C-N 3.34Å; L510-L513 PolarHBondContact O-N 3.33Å; L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 2.93Å
511	I	91.2	Very high	86.2	Confident	109 Å²	109	72.5 Å²	72.5	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-47.8	171.9	-70.7	163.9	0	0	0	109.6	N507 L508 L513 S514 F515	N507-I511 WeakPolarHBondContact O-CD1 3.16Å; N507-I511 VanDerWaalsContact O-CG1 3.24Å; N507-I511 WeakPolarHBondContact O-CG1 3.32Å; N507-I511 PolarHBondContact O-N 3.46Å; L508-I511 PolarHBondContact O-N 3.03Å; I511-L513 VanDerWaalsContact C-N 3.34Å; I511-L513 PolarHBondContact O-N 3.21Å; I511-S514 PolarHBondContact O-N 2.97Å; I511-S514 PolarHBondContact O-OG 3.29Å; I511-F515 PolarHBondContact O-N 3.25Å; I511-F515 VanDerWaalsContact O-N 3.1Å
512	R	88.1	Confident	85.3	Confident	112 Å²	112	70.3 Å²	70.3	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-45	176.3	-176.2	-175.7	-177.7	-159.9	1.9	111.8	E476 Q477 L508 A509 L510 S514 F515 L516	E476-R512 WeakPolarHBondContact OE1-CD 3.36Å; E476-R512 IonicContact OE1-CZ 3.08Å; E476-R512 IonicContact OE1-NE 3.27Å; E476-R512 PolarHBondContact OE1-NE 3.34Å; E476-R512 IonicContact OE1-NH1 3.39Å; E476-R512 PolarHBondContact OE1-NH1 3.34Å; E476-R512 IonicContact OE1-NH2 3.84Å; Q477-R512 VanDerWaalsContact NE2-NH1 3.19Å; Q477-R512 VanDerWaalsContact NE2-NH2 3.18Å; L508-R512 PolarHBondContact O-N 3.42Å; L508-R512 VanDerWaalsContact O-N 3.1Å; A509-R512 WeakPolarHBondContact O-CB 3.02Å; A509-R512 PolarHBondContact O-N 3.09Å; L510-R512 VanDerWaalsContact C-N 3.34Å; R512-S514 VanDerWaalsContact C-N 3.33Å; R512-S514 PolarHBondContact O-N 2.72Å; R512-F515 WeakPolarHBondContact O-CB 3.48Å; R512-F515 PolarHBondContact O-N 3.12Å; R512-L516 PolarHBondContact O-N 3.41Å
513	L	88	Confident	84.2	Confident	2 Å²	2	77.7 Å²	77.7	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-39	177.2	-115.8	119.5	0	0	0	112.3	E476 L485 A488 K489 Y492 A509 L510 I511 F515 L516 F517	E476-L513 HydrophobicContact CG-CD1 4.08Å; L485-L513 HydrophobicContact CB-CD2 3.95Å; L485-L513 VanDerWaalsContact O-CD2 3.26Å; L485-L513 WeakPolarHBondContact O-CD2 3.37Å; A488-L513 HydrophobicContact CB-CD1 4.33Å; K489-L513 HydrophobicContact CB-CD2 4.35Å; Y492-L513 HydrophobicContact CD2-CD1 3.96Å; Y492-L513 HydrophobicContact CE2-CD1 3.49Å; Y492-L513 VanDerWaalsContact CE2-CD1 3.49Å; A509-L513 PolarHBondContact O-N 3.02Å; L510-L513 PolarHBondContact O-N 3.33Å; I511-L513 VanDerWaalsContact C-N 3.34Å; I511-L513 PolarHBondContact O-N 3.21Å; L513-F515 VanDerWaalsContact C-N 3.27Å; L513-F515 PolarHBondContact O-N 3.18Å; L513-L516 PolarHBondContact O-N 2.79Å; L513-F517 HydrophobicContact CD2-CD2 4.09Å; L513-F517 HydrophobicContact CD2-CE2 3.34Å; L513-F517 HydrophobicContact CD2-CZ 3.84Å; L513-F517 HydrophobicContact CG-CE2 4.47Å; L513-F517 WeakPolarHBondContact O-CD2 3.31Å; L513-F517 PolarHBondContact O-N 2.84Å
514	S	87.6	Confident	83	Confident	70 Å²	70	82.5 Å²	82.5	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-62.4	-38	177	76.7	0	0	0	0	111.8	L510 I511 R512 F518	L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 2.93Å; I511-S514 PolarHBondContact O-N 2.97Å; I511-S514 PolarHBondContact O-OG 3.29Å; R512-S514 VanDerWaalsContact C-N 3.33Å; R512-S514 PolarHBondContact O-N 2.72Å; S514-F518 WeakPolarHBondContact O-CB 3.48Å; S514-F518 PolarHBondContact O-N 3Å
515	F	85.5	Confident	81.3	Confident	125 Å²	125	78.3 Å²	78.3	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-67.5	-40.4	174.4	-176.8	-104.7	0	0	0	112	I511 R512 L513 F518 I519	I511-F515 PolarHBondContact O-N 3.25Å; I511-F515 VanDerWaalsContact O-N 3.1Å; R512-F515 WeakPolarHBondContact O-CB 3.48Å; R512-F515 PolarHBondContact O-N 3.12Å; L513-F515 VanDerWaalsContact C-N 3.27Å; L513-F515 PolarHBondContact O-N 3.18Å; F515-F518 WeakPolarHBondContact O-CB 3.44Å; F515-F518 PolarHBondContact O-N 3.37Å; F515-I519 HydrophobicContact CD1-CD1 3.82Å; F515-I519 HydrophobicContact CE1-CD1 3.29Å; F515-I519 HydrophobicContact CE1-CG1 4.24Å; F515-I519 HydrophobicContact CE2-CD1 4.46Å; F515-I519 HydrophobicContact CZ-CD1 3.66Å; F515-I519 HydrophobicContact CZ-CG1 4.3Å; F515-I519 PolarHBondContact O-N 3.17Å
516	L	83	Confident	79.4	Confident	40 Å²	40	80.4 Å²	80.4	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-63.2	-46.4	174.9	-71.1	173	0	0	0	111.9	E476 R512 L513 F518 I519 D520	E476-L516 HydrophobicContact CG-CD1 4.46Å; R512-L516 PolarHBondContact O-N 3.41Å; L513-L516 PolarHBondContact O-N 2.79Å; L516-F518 VanDerWaalsContact C-N 3.27Å; L516-F518 PolarHBondContact O-N 2.92Å; L516-I519 PolarHBondContact O-N 3.38Å; L516-D520 PolarHBondContact O-N 2.82Å
517	F	85.1	Confident	77.2	Confident	63 Å²	63	88.3 Å²	88.3	28%	0.276	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-37.3	174.7	-77.2	-54.8	0	0	0	112.2	L485 H486 L513 D520 F521	L485-F517 HydrophobicContact CB-CE1 3.76Å; L485-F517 HydrophobicContact CB-CE2 4.46Å; L485-F517 HydrophobicContact CB-CZ 3.58Å; L485-F517 HydrophobicContact CD1-CD1 4.31Å; L485-F517 HydrophobicContact CD1-CE1 4.02Å; H486-F517 AromaticContact CE1-CE1 3.69Å; H486-F517 AromaticContact CE1-CZ 3.83Å; H486-F517 AromaticContact ND1-CZ 3.81Å; L513-F517 HydrophobicContact CD2-CD2 4.09Å; L513-F517 HydrophobicContact CD2-CE2 3.34Å; L513-F517 HydrophobicContact CD2-CZ 3.84Å; L513-F517 HydrophobicContact CG-CE2 4.47Å; L513-F517 WeakPolarHBondContact O-CD2 3.31Å; L513-F517 PolarHBondContact O-N 2.84Å; F517-D520 PolarHBondContact O-N 3.17Å; F517-F521 VanDerWaalsContact O-CB 3.29Å; F517-F521 WeakPolarHBondContact O-CB 3.47Å; F517-F521 PolarHBondContact O-N 3.21Å
518	F	79.7	Confident	75.4	Confident	110 Å²	110	93.1 Å²	93.1	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-45	174.9	-179.5	-94.4	0	0	0	111.6	S514 F515 L516 F521 F522	S514-F518 WeakPolarHBondContact O-CB 3.48Å; S514-F518 PolarHBondContact O-N 3Å; F515-F518 WeakPolarHBondContact O-CB 3.44Å; F515-F518 PolarHBondContact O-N 3.37Å; L516-F518 VanDerWaalsContact C-N 3.27Å; L516-F518 PolarHBondContact O-N 2.92Å; F518-F521 PolarHBondContact O-N 3Å; F518-F522 AromaticContact CD1-CD2 3.88Å; F518-F522 HydrophobicContact CD1-CD2 3.88Å; F518-F522 HydrophobicContact CD1-CE2 4.2Å; F518-F522 HydrophobicContact CD2-CD2 4.09Å; F518-F522 AromaticContact CD2-CE2 3.95Å; F518-F522 HydrophobicContact CD2-CE2 3.95Å; F518-F522 AromaticContact CE1-CD2 3.55Å; F518-F522 HydrophobicContact CE1-CD2 3.55Å; F518-F522 AromaticContact CE1-CE2 3.51Å; F518-F522 HydrophobicContact CE1-CE2 3.51Å; F518-F522 HydrophobicContact CE1-CG 4.33Å; F518-F522 HydrophobicContact CE1-CZ 4.2Å; F518-F522 AromaticContact CE2-CD2 3.81Å; F518-F522 HydrophobicContact CE2-CD2 3.81Å; F518-F522 AromaticContact CE2-CE2 3.24Å; F518-F522 HydrophobicContact CE2-CE2 3.24Å; F518-F522 HydrophobicContact CE2-CZ 4.17Å; F518-F522 HydrophobicContact CG-CD2 4.15Å; F518-F522 HydrophobicContact CG-CE2 4.39Å; F518-F522 AromaticContact CZ-CD2 3.54Å; F518-F522 HydrophobicContact CZ-CD2 3.54Å; F518-F522 AromaticContact CZ-CE2 2.98Å; F518-F522 HydrophobicContact CZ-CE2 2.98Å; F518-F522 AromaticContact CZ-CZ 3.63Å; F518-F522 HydrophobicContact CZ-CZ 3.63Å; F518-F522 WeakPolarHBondContact O-CB 3.41Å; F518-F522 WeakPolarHBondContact O-CD2 3.01Å; F518-F522 PolarHBondContact O-N 2.88Å
519	I	76.8	Confident	73.4	Confident	58 Å²	58	94.5 Å²	94.5	30%	0.297	43%	0.434	S	S	.	.	H	α-helix	trans	-62	-44.7	175.5	-71.4	172.2	0	0	0	111.3	F515 L516 F521 F522 K523	F515-I519 HydrophobicContact CD1-CD1 3.82Å; F515-I519 HydrophobicContact CE1-CD1 3.29Å; F515-I519 HydrophobicContact CE1-CG1 4.24Å; F515-I519 HydrophobicContact CE2-CD1 4.46Å; F515-I519 HydrophobicContact CZ-CD1 3.66Å; F515-I519 HydrophobicContact CZ-CG1 4.3Å; F515-I519 PolarHBondContact O-N 3.17Å; L516-I519 PolarHBondContact O-N 3.38Å; I519-F521 VanDerWaalsContact C-N 3.34Å; I519-F522 PolarHBondContact O-N 3.24Å; I519-K523 HydrophobicContact CG2-CD 4.27Å; I519-K523 HydrophobicContact CG2-CG 4.45Å; I519-K523 WeakPolarHBondContact O-CG 3.41Å; I519-K523 PolarHBondContact O-N 3.4Å
520	D	72.2	Confident	71.4	Confident	64 Å²	64	99.2 Å²	99.2	34%	0.342	46%	0.457	S	S	.	.	H	α-helix	trans	-65.4	-39.5	179.3	-78.5	-17.3	0	0	0	111.5	L516 F517 F522 K523 Q524	L516-D520 PolarHBondContact O-N 2.82Å; F517-D520 PolarHBondContact O-N 3.17Å; D520-F522 VanDerWaalsContact C-N 3.34Å; D520-K523 PolarHBondContact O-N 3.13Å; D520-Q524 WeakPolarHBondContact O-CG 3.48Å; D520-Q524 PolarHBondContact O-N 3.27Å
521	F	73.2	Confident	69.6	Low	137 Å²	137	105 Å²	105	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-60.1	-44.8	170.6	-179.5	-97	0	0	0	111.1	F517 F518 I519 K523 Q524 S525	F517-F521 VanDerWaalsContact O-CB 3.29Å; F517-F521 WeakPolarHBondContact O-CB 3.47Å; F517-F521 PolarHBondContact O-N 3.21Å; F518-F521 PolarHBondContact O-N 3Å; I519-F521 VanDerWaalsContact C-N 3.34Å; F521-K523 PolarHBondContact O-N 3.44Å; F521-Q524 PolarHBondContact O-N 3.41Å; F521-S525 WeakPolarHBondContact O-CB 3.22Å; F521-S525 PolarHBondContact O-N 3.38Å; F521-S525 PolarHBondContact O-OG 3.33Å
522	F	63	Low	67.9	Low	86 Å²	86	106.4 Å²	106.4	38%	0.377	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-40	178.2	-99.2	-97.7	0	0	0	112.9	F518 I519 D520 Q524 S525	F518-F522 AromaticContact CD1-CD2 3.88Å; F518-F522 HydrophobicContact CD1-CD2 3.88Å; F518-F522 HydrophobicContact CD1-CE2 4.2Å; F518-F522 HydrophobicContact CD2-CD2 4.09Å; F518-F522 AromaticContact CD2-CE2 3.95Å; F518-F522 HydrophobicContact CD2-CE2 3.95Å; F518-F522 AromaticContact CE1-CD2 3.55Å; F518-F522 HydrophobicContact CE1-CD2 3.55Å; F518-F522 AromaticContact CE1-CE2 3.51Å; F518-F522 HydrophobicContact CE1-CE2 3.51Å; F518-F522 HydrophobicContact CE1-CG 4.33Å; F518-F522 HydrophobicContact CE1-CZ 4.2Å; F518-F522 AromaticContact CE2-CD2 3.81Å; F518-F522 HydrophobicContact CE2-CD2 3.81Å; F518-F522 AromaticContact CE2-CE2 3.24Å; F518-F522 HydrophobicContact CE2-CE2 3.24Å; F518-F522 HydrophobicContact CE2-CZ 4.17Å; F518-F522 HydrophobicContact CG-CD2 4.15Å; F518-F522 HydrophobicContact CG-CE2 4.39Å; F518-F522 AromaticContact CZ-CD2 3.54Å; F518-F522 HydrophobicContact CZ-CD2 3.54Å; F518-F522 AromaticContact CZ-CE2 2.98Å; F518-F522 HydrophobicContact CZ-CE2 2.98Å; F518-F522 AromaticContact CZ-CZ 3.63Å; F518-F522 HydrophobicContact CZ-CZ 3.63Å; F518-F522 WeakPolarHBondContact O-CB 3.41Å; F518-F522 WeakPolarHBondContact O-CD2 3.01Å; F518-F522 PolarHBondContact O-N 2.88Å; I519-F522 PolarHBondContact O-N 3.24Å; D520-F522 VanDerWaalsContact C-N 3.34Å; F522-Q524 VanDerWaalsContact C-N 3.32Å; F522-Q524 PolarHBondContact O-N 2.92Å; F522-S525 WeakPolarHBondContact CA-OG 3.37Å; F522-S525 PolarHBondContact O-N 3.47Å; F522-S525 VanDerWaalsContact O-O 3.07Å; F522-S525 PolarHBondContact O-OG 3.32Å
523	K	64.1	Low	66.2	Low	165 Å²	165	103.7 Å²	103.7	72%	0.717	48%	0.481	S	S	*	.	H	α-helix	trans	-64.3	-35.1	175.1	-77	179.6	178	177.6	0	112.8	I519 D520 F521	I519-K523 HydrophobicContact CG2-CD 4.27Å; I519-K523 HydrophobicContact CG2-CG 4.45Å; I519-K523 WeakPolarHBondContact O-CG 3.41Å; I519-K523 PolarHBondContact O-N 3.4Å; D520-K523 PolarHBondContact O-N 3.13Å; F521-K523 PolarHBondContact O-N 3.44Å
524	Q	66.3	Low	64.5	Low	161 Å²	161	109 Å²	109	75%	0.752	51%	0.509	S	S	*	.	H	α-helix	trans	-82.3	-31	176.8	-70.9	179.6	4.6	0	0	112.5	D520 F521 F522 L526	D520-Q524 WeakPolarHBondContact O-CG 3.48Å; D520-Q524 PolarHBondContact O-N 3.27Å; F521-Q524 PolarHBondContact O-N 3.41Å; F522-Q524 VanDerWaalsContact C-N 3.32Å; F522-Q524 PolarHBondContact O-N 2.92Å; Q524-L526 PolarHBondContact O-N 3.39Å
525	S	51.1	Low	63	Low	34 Å²	34	116 Å²	116	24%	0.238	53%	0.525	C	S	.	.	S	Bend	trans	-69.7	124.5	178.8	78.4	0	0	0	0	108.8	F521 F522 W527	F521-S525 WeakPolarHBondContact O-CB 3.22Å; F521-S525 PolarHBondContact O-N 3.38Å; F521-S525 PolarHBondContact O-OG 3.33Å; F522-S525 WeakPolarHBondContact CA-OG 3.37Å; F522-S525 PolarHBondContact O-N 3.47Å; F522-S525 VanDerWaalsContact O-O 3.07Å; F522-S525 PolarHBondContact O-OG 3.32Å; S525-W527 PolarHBondContact O-N 3.47Å
526	L	53.1	Low	61.9	Low	95 Å²	95	112.3 Å²	112.3	50%	0.497	52%	0.517	S	S	.	.			trans	-69.4	57.7	-179.6	-128.1	102.5	0	0	0	111	Q524 W528 K529	Q524-L526 PolarHBondContact O-N 3.39Å; L526-W528 HydrophobicContact CD1-CZ2 4.29Å; L526-W528 HydrophobicContact CD2-CZ2 3.72Å; L526-W528 HydrophobicContact CG-CH2 4.39Å; L526-W528 HydrophobicContact CG-CZ2 3.7Å; L526-W528 PolarHBondContact O-N 3.29Å; L526-K529 HydrophobicContact CD2-CD 4.24Å; L526-K529 HydrophobicContact CD2-CG 4.45Å; L526-K529 PolarHBondContact O-N 3.01Å
527	W	46.6	Very low	60.8	Low	167 Å²	167	115.7 Å²	115.7	63%	0.633	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-63.2	-11.6	-167.2	75.8	-48.6	0	0	0	114.8	S525 K529 L530	S525-W527 PolarHBondContact O-N 3.47Å; W527-K529 PolarHBondContact O-N 3.27Å; W527-L530 WeakPolarHBondContact O-CD1 3.48Å; W527-L530 WeakPolarHBondContact O-CG 3.29Å; W527-L530 PolarHBondContact O-N 3.44Å
528	W	53.3	Low	59.8	Low	193 Å²	193	113.6 Å²	113.6	73%	0.731	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-67.3	-8	168.1	62.4	65.5	0	0	0	113.7	L526 L530	L526-W528 HydrophobicContact CD1-CZ2 4.29Å; L526-W528 HydrophobicContact CD2-CZ2 3.72Å; L526-W528 HydrophobicContact CG-CH2 4.39Å; L526-W528 HydrophobicContact CG-CZ2 3.7Å; L526-W528 PolarHBondContact O-N 3.29Å; W528-L530 PolarHBondContact O-N 3.06Å
529	K	50.9	Low	59.4	Low	142 Å²	142	113.1 Å²	113.1	62%	0.617	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-88.4	38.1	169.8	-69.4	-170.7	175.8	-177.1	0	113	L526 W527 E531 F532	L526-K529 HydrophobicContact CD2-CD 4.24Å; L526-K529 HydrophobicContact CD2-CG 4.45Å; L526-K529 PolarHBondContact O-N 3.01Å; W527-K529 PolarHBondContact O-N 3.27Å; K529-E531 PolarHBondContact O-N 3.28Å; K529-E531 VanDerWaalsContact O-N 3.1Å; K529-F532 WeakPolarHBondContact O-CB 3.45Å; K529-F532 PolarHBondContact O-N 2.77Å
530	L	48.9	Very low	59.3	Low	109 Å²	109	117.5 Å²	117.5	57%	0.571	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.3	176.7	-98.1	154	0	0	0	114.4	W527 W528 F532	W527-L530 WeakPolarHBondContact O-CD1 3.48Å; W527-L530 WeakPolarHBondContact O-CG 3.29Å; W527-L530 PolarHBondContact O-N 3.44Å; W528-L530 PolarHBondContact O-N 3.06Å; L530-F532 PolarHBondContact O-N 3.04Å
531	E	54.3	Low	59.4	Low	162 Å²	162	120.1 Å²	120.1	76%	0.757	55%	0.554	S	S	*	*	H	α-helix	trans	-63.6	-21.6	164.8	-78.3	-172.8	159.4	0	0	113.4	K529 R535	K529-E531 PolarHBondContact O-N 3.28Å; K529-E531 VanDerWaalsContact O-N 3.1Å; E531-R535 WeakPolarHBondContact O-CB 3.31Å; E531-R535 PolarHBondContact O-N 3.19Å
532	F	55.3	Low	58.9	Low	139 Å²	139	117.2 Å²	117.2	61%	0.61	55%	0.545	S	S	*	.	H	α-helix	trans	-72.2	-32.7	-179	-178.9	-100.8	0	0	0	113	K529 L530 R535 A536	K529-F532 WeakPolarHBondContact O-CB 3.45Å; K529-F532 PolarHBondContact O-N 2.77Å; L530-F532 PolarHBondContact O-N 3.04Å; F532-R535 PolarHBondContact O-N 3.48Å; F532-A536 HydrophobicContact CD1-CB 4.28Å; F532-A536 HydrophobicContact CE1-CB 3.88Å; F532-A536 HydrophobicContact CE2-CB 4.16Å; F532-A536 HydrophobicContact CZ-CB 3.82Å; F532-A536 WeakPolarHBondContact O-CB 3.42Å; F532-A536 PolarHBondContact O-N 3.31Å
533	V	52.1	Low	59.4	Low	56 Å²	56	120 Å²	120	34%	0.339	56%	0.557	S	S	.	*	H	α-helix	trans	-72.9	-44.1	-174	-179.5	0	0	0	0	110.9	R535 A536 F537	V533-R535 VanDerWaalsContact C-N 3.28Å; V533-R535 PolarHBondContact O-N 2.64Å; V533-A536 PolarHBondContact O-N 3.02Å; V533-F537 PolarHBondContact O-N 3.04Å
534	D	52.3	Low	59.8	Low	113 Å²	113	119.4 Å²	119.4	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-64.7	-33.9	173.5	-84.7	-15.9	0	0	0	111.9	G538	D534-G538 VanDerWaalsContact O-CA 3.31Å; D534-G538 WeakPolarHBondContact O-CA 3.39Å; D534-G538 PolarHBondContact O-N 3.33Å
535	R	56.8	Low	60.1	Low	216 Å²	216	115.1 Å²	115.1	82%	0.815	53%	0.533	S	S	*	.	H	α-helix	trans	-78.6	-32.9	-179.6	-157	176.2	-154.3	147.7	4.5	113.8	E531 F532 V533	E531-R535 WeakPolarHBondContact O-CB 3.31Å; E531-R535 PolarHBondContact O-N 3.19Å; F532-R535 PolarHBondContact O-N 3.48Å; V533-R535 VanDerWaalsContact C-N 3.28Å; V533-R535 PolarHBondContact O-N 2.64Å
536	A	61	Low	61	Low	48 Å²	48	117.7 Å²	117.7	40%	0.397	55%	0.547	S	S	.	.	H	α-helix	trans	-89.2	-36.5	-176.5	0	0	0	0	0	113	F532 V533	F532-A536 HydrophobicContact CD1-CB 4.28Å; F532-A536 HydrophobicContact CE1-CB 3.88Å; F532-A536 HydrophobicContact CE2-CB 4.16Å; F532-A536 HydrophobicContact CZ-CB 3.82Å; F532-A536 WeakPolarHBondContact O-CB 3.42Å; F532-A536 PolarHBondContact O-N 3.31Å; V533-A536 PolarHBondContact O-N 3.02Å
537	F	60.8	Low	61.8	Low	111 Å²	111	116.8 Å²	116.8	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-114.3	-8.5	-173.3	-64.1	-76.4	0	0	0	113.9	V533 W541 Y544	V533-F537 PolarHBondContact O-N 3.04Å; F537-W541 HydrophobicContact CB-CB 3.8Å; F537-Y544 HydrophobicContact CD1-CD2 4.36Å
538	G	63.4	Low	62.9	Low	20 Å²	20	114.3 Å²	114.3	21%	0.206	55%	0.545	C	S	.	.			trans	66.9	179.1	-178.1	0	0	0	0	0	112.8	D534 Y540 W541	D534-G538 VanDerWaalsContact O-CA 3.31Å; D534-G538 WeakPolarHBondContact O-CA 3.39Å; D534-G538 PolarHBondContact O-N 3.33Å; G538-Y540 PolarHBondContact O-N 3.11Å; G538-W541 PolarHBondContact O-N 2.81Å
539	P	72.3	Confident	63.6	Low	99 Å²	99	109.4 Å²	109.4	64%	0.643	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.5	-174.1	24.1	-32.9	0	0	0	114.3
540	Y	73.9	Confident	64.3	Low	150 Å²	150	106.2 Å²	106.2	59%	0.588	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	35.7	-178.4	-45.8	-77.3	0	0	0	113.6	G538 D542 F543	G538-Y540 PolarHBondContact O-N 3.11Å; Y540-D542 WeakPolarHBondContact CA-OD1 3.35Å; Y540-D542 PolarHBondContact O-N 3.17Å; Y540-D542 VanDerWaalsContact O-N 3.1Å; Y540-F543 VanDerWaalsContact CB-CD2 3.43Å; Y540-F543 HydrophobicContact CD1-CD2 4.27Å; Y540-F543 AromaticContact CD1-CE2 3.84Å; Y540-F543 HydrophobicContact CD1-CE2 3.84Å; Y540-F543 HydrophobicContact CG-CD2 4.05Å; Y540-F543 HydrophobicContact CG-CE2 4.04Å; Y540-F543 PolarHBondContact O-N 2.74Å
541	W	74	Confident	65	Low	120 Å²	120	104.2 Å²	104.2	46%	0.455	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.3	176.6	70.2	-88	0	0	0	112.4	F537 G538 F543 Y544 L545	F537-W541 HydrophobicContact CB-CB 3.8Å; G538-W541 PolarHBondContact O-N 2.81Å; W541-F543 VanDerWaalsContact C-N 3.32Å; W541-F543 PolarHBondContact O-N 2.94Å; W541-Y544 PolarHBondContact O-N 2.68Å; W541-Y544 VanDerWaalsContact O-N 3.11Å; W541-L545 HydrophobicContact CE3-CB 4.17Å; W541-L545 HydrophobicContact CE3-CD1 4.23Å; W541-L545 HydrophobicContact CH2-CD2 4.27Å; W541-L545 HydrophobicContact CZ3-CB 4.09Å; W541-L545 HydrophobicContact CZ3-CD1 3.8Å; W541-L545 HydrophobicContact CZ3-CD2 3.67Å; W541-L545 HydrophobicContact CZ3-CG 4.03Å; W541-L545 PolarHBondContact O-N 3.49Å
542	D	64	Low	65.4	Low	76 Å²	76	100.8 Å²	100.8	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-59.2	-35.1	173.1	62.7	-24.9	0	0	0	113.2	Y540 Y544 L545 V546	Y540-D542 WeakPolarHBondContact CA-OD1 3.35Å; Y540-D542 PolarHBondContact O-N 3.17Å; Y540-D542 VanDerWaalsContact O-N 3.1Å; D542-Y544 PolarHBondContact O-N 3.09Å; D542-L545 PolarHBondContact O-N 3.25Å; D542-V546 WeakPolarHBondContact O-CG2 3.34Å; D542-V546 PolarHBondContact O-N 3.22Å
543	F	72.5	Confident	65.6	Low	143 Å²	143	99.3 Å²	99.3	63%	0.627	51%	0.514	S	S	*	.	H	α-helix	trans	-62.4	-24	173.9	-78.3	-54.7	0	0	0	113.4	Y540 W541 P547	Y540-F543 VanDerWaalsContact CB-CD2 3.43Å; Y540-F543 HydrophobicContact CD1-CD2 4.27Å; Y540-F543 AromaticContact CD1-CE2 3.84Å; Y540-F543 HydrophobicContact CD1-CE2 3.84Å; Y540-F543 HydrophobicContact CG-CD2 4.05Å; Y540-F543 HydrophobicContact CG-CE2 4.04Å; Y540-F543 PolarHBondContact O-N 2.74Å; W541-F543 VanDerWaalsContact C-N 3.32Å; W541-F543 PolarHBondContact O-N 2.94Å; F543-P547 WeakPolarHBondContact O-CD 3.36Å; F543-P547 WeakPolarHBondContact O-CG 3.48Å
544	Y	73.4	Confident	65.8	Low	153 Å²	153	100 Å²	100	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-91.8	-32.4	176.5	-55.4	-73.9	0	0	0	112.1	F537 W541 D542 L548	F537-Y544 HydrophobicContact CD1-CD2 4.36Å; W541-Y544 PolarHBondContact O-N 2.68Å; W541-Y544 VanDerWaalsContact O-N 3.11Å; D542-Y544 PolarHBondContact O-N 3.09Å; Y544-L548 PolarHBondContact O-N 3.5Å
545	L	71.9	Confident	66.1	Low	72 Å²	72	97.3 Å²	97.3	38%	0.377	53%	0.525	S	S	.	.	H	α-helix	trans	-72.1	-40.8	-178.4	-158.2	91.3	0	0	0	112.4	W541 D542 L548 L549	W541-L545 HydrophobicContact CE3-CB 4.17Å; W541-L545 HydrophobicContact CE3-CD1 4.23Å; W541-L545 HydrophobicContact CH2-CD2 4.27Å; W541-L545 HydrophobicContact CZ3-CB 4.09Å; W541-L545 HydrophobicContact CZ3-CD1 3.8Å; W541-L545 HydrophobicContact CZ3-CD2 3.67Å; W541-L545 HydrophobicContact CZ3-CG 4.03Å; W541-L545 PolarHBondContact O-N 3.49Å; D542-L545 PolarHBondContact O-N 3.25Å; L545-L548 PolarHBondContact O-N 3.41Å; L545-L549 HydrophobicContact CD2-CD1 3.82Å; L545-L549 HydrophobicContact CG-CD1 4.15Å; L545-L549 PolarHBondContact O-N 3.47Å
546	V	69.3	Low	66.3	Low	87 Å²	87	93.1 Å²	93.1	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-45.8	-176.5	174.7	0	0	0	0	112.1	D542 L548 L549 C550	D542-V546 WeakPolarHBondContact O-CG2 3.34Å; D542-V546 PolarHBondContact O-N 3.22Å; V546-L548 PolarHBondContact O-N 2.96Å; V546-L549 PolarHBondContact O-N 3.16Å; V546-C550 WeakPolarHBondContact O-CB 3.41Å; V546-C550 PolarHBondContact O-N 3.25Å; V546-C550 PolarHBondContact O-SG 2.8Å; V546-C550 VanDerWaalsContact O-SG 3.38Å
547	P	69.9	Low	66.4	Low	76 Å²	76	93.4 Å²	93.4	49%	0.494	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-38	173.3	-23.4	34.1	0	0	0	113.4	F543 C550 A551	F543-P547 WeakPolarHBondContact O-CD 3.36Å; F543-P547 WeakPolarHBondContact O-CG 3.48Å; P547-C550 PolarHBondContact O-N 3.48Å; P547-A551 WeakPolarHBondContact O-CB 3.42Å; P547-A551 PolarHBondContact O-N 3.5Å
548	L	71	Confident	66.5	Low	115 Å²	115	95.1 Å²	95.1	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-46.6	178.1	-169.6	94.4	0	0	0	111.1	Y544 L545 V546 C550 A551 V552	Y544-L548 PolarHBondContact O-N 3.5Å; L545-L548 PolarHBondContact O-N 3.41Å; V546-L548 PolarHBondContact O-N 2.96Å; L548-C550 VanDerWaalsContact C-N 3.34Å; L548-C550 PolarHBondContact O-N 2.9Å; L548-A551 PolarHBondContact O-N 3.3Å; L548-V552 WeakPolarHBondContact O-CG2 3.4Å; L548-V552 PolarHBondContact O-N 3.22Å
549	L	68.3	Low	66.7	Low	91 Å²	91	98.6 Å²	98.6	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-62.2	-41.8	175.6	-82.5	165.4	0	0	0	111.7	L545 V546 A551 V552 I553	L545-L549 HydrophobicContact CD2-CD1 3.82Å; L545-L549 HydrophobicContact CG-CD1 4.15Å; L545-L549 PolarHBondContact O-N 3.47Å; V546-L549 PolarHBondContact O-N 3.16Å; L549-A551 PolarHBondContact O-N 2.93Å; L549-V552 PolarHBondContact O-N 3.49Å; L549-I553 VanDerWaalsContact O-CG1 3.27Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 3.28Å
550	C	64.6	Low	66.3	Low	75 Å²	75	99.5 Å²	99.5	51%	0.507	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-40.1	174.3	-76.3	0	0	0	0	112.5	V546 P547 L548 I553 A554	V546-C550 WeakPolarHBondContact O-CB 3.41Å; V546-C550 PolarHBondContact O-N 3.25Å; V546-C550 PolarHBondContact O-SG 2.8Å; V546-C550 VanDerWaalsContact O-SG 3.38Å; P547-C550 PolarHBondContact O-N 3.48Å; L548-C550 VanDerWaalsContact C-N 3.34Å; L548-C550 PolarHBondContact O-N 2.9Å; C550-I553 PolarHBondContact O-N 2.84Å; C550-A554 WeakPolarHBondContact O-CB 3.26Å; C550-A554 PolarHBondContact O-N 2.91Å
551	A	63	Low	65.9	Low	67 Å²	67	98.8 Å²	98.8	55%	0.554	53%	0.533	S	S	*	.	H	α-helix	trans	-64.5	-40.2	176.2	0	0	0	0	0	112.2	P547 L548 L549 I553 A554 G555	P547-A551 WeakPolarHBondContact O-CB 3.42Å; P547-A551 PolarHBondContact O-N 3.5Å; L548-A551 PolarHBondContact O-N 3.3Å; L549-A551 PolarHBondContact O-N 2.93Å; A551-I553 VanDerWaalsContact C-N 3.31Å; A551-I553 PolarHBondContact O-N 3.49Å; A551-A554 PolarHBondContact O-N 2.98Å; A551-G555 PolarHBondContact O-N 3.39Å
552	V	62.8	Low	65.5	Low	90 Å²	90	98.7 Å²	98.7	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-66.3	-33	175.7	174.1	0	0	0	0	111.9	L548 L549	L548-V552 WeakPolarHBondContact O-CG2 3.4Å; L548-V552 PolarHBondContact O-N 3.22Å; L549-V552 PolarHBondContact O-N 3.49Å
553	I	60.7	Low	65.8	Low	108 Å²	108	98.9 Å²	98.9	55%	0.554	54%	0.543	S	S	*	.	H	α-helix	trans	-78.1	-38	176.4	-65	165.2	0	0	0	111.4	L549 C550 A551 G555 K556	L549-I553 VanDerWaalsContact O-CG1 3.27Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 3.28Å; C550-I553 PolarHBondContact O-N 2.84Å; A551-I553 VanDerWaalsContact C-N 3.31Å; A551-I553 PolarHBondContact O-N 3.49Å; I553-G555 VanDerWaalsContact C-N 3.29Å; I553-G555 PolarHBondContact O-N 3.43Å; I553-K556 WeakPolarHBondContact O-CB 3.25Å; I553-K556 PolarHBondContact O-N 3.01Å
554	A	55.7	Low	65.7	Low	70 Å²	70	97 Å²	97	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-60.9	-36.1	-177.4	0	0	0	0	0	112.8	C550 A551 K556 A557	C550-A554 WeakPolarHBondContact O-CB 3.26Å; C550-A554 PolarHBondContact O-N 2.91Å; A551-A554 PolarHBondContact O-N 2.98Å; A554-K556 PolarHBondContact O-N 3.09Å; A554-A557 PolarHBondContact O-N 3.42Å
555	G	59.1	Low	65.6	Low	56 Å²	56	91.5 Å²	91.5	58%	0.577	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.3	173.7	0	0	0	0	0	114.2	A551 I553	A551-G555 PolarHBondContact O-N 3.39Å; I553-G555 VanDerWaalsContact C-N 3.29Å; I553-G555 PolarHBondContact O-N 3.43Å
556	K	60.8	Low	65.8	Low	128 Å²	128	91.9 Å²	91.9	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-80.2	-13.3	-178.6	-65.6	179.6	176.3	175.5	0	114	I553 A554 E558 D559 L560	I553-K556 WeakPolarHBondContact O-CB 3.25Å; I553-K556 PolarHBondContact O-N 3.01Å; A554-K556 PolarHBondContact O-N 3.09Å; K556-E558 PolarHBondContact O-N 3.41Å; K556-D559 PolarHBondContact O-N 2.92Å; K556-L560 WeakPolarHBondContact O-CB 3.41Å; K556-L560 PolarHBondContact O-N 3.46Å
557	A	62.4	Low	65.9	Low	55 Å²	55	89.8 Å²	89.8	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-40.2	-174.9	0	0	0	0	0	112.9	A554 L560 W561	A554-A557 PolarHBondContact O-N 3.42Å; A557-L560 PolarHBondContact O-N 2.7Å; A557-W561 VanDerWaalsContact O-CD1 3.3Å; A557-W561 PolarHBondContact O-N 3.41Å
558	E	64.5	Low	65.9	Low	147 Å²	147	89 Å²	89	69%	0.687	52%	0.518	S	S	*	.	H	α-helix	trans	-64.8	-40.9	175.5	-81.1	-166.9	162.3	0	0	112.1	K556 L560 W561 K562	K556-E558 PolarHBondContact O-N 3.41Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-W561 PolarHBondContact O-N 3.14Å; E558-K562 WeakPolarHBondContact O-CG 3.49Å; E558-K562 PolarHBondContact O-N 3.17Å
559	D	66.4	Low	65.9	Low	92 Å²	92	89.7 Å²	89.7	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-71.2	-31.8	179.7	-68.1	-25.4	0	0	0	112.1	K556 K562 S563	K556-D559 PolarHBondContact O-N 2.92Å; D559-K562 WeakPolarHBondContact O-CB 3.48Å; D559-K562 PolarHBondContact O-N 3.34Å; D559-K562 IonicContact OD1-NZ 3.06Å; D559-K562 PolarHBondContact OD1-NZ 3.27Å; D559-S563 PolarHBondContact O-N 3.22Å
560	L	64.2	Low	66.1	Low	118 Å²	118	88.9 Å²	88.9	62%	0.618	52%	0.521	S	S	*	.	H	α-helix	trans	-69.2	-36.9	172.3	-146.4	137.3	0	0	0	111.6	K556 A557 E558 S563 V564	K556-L560 WeakPolarHBondContact O-CB 3.41Å; K556-L560 PolarHBondContact O-N 3.46Å; A557-L560 PolarHBondContact O-N 2.7Å; E558-L560 VanDerWaalsContact C-N 3.34Å; L560-S563 PolarHBondContact O-N 3.06Å; L560-S563 PolarHBondContact O-OG 3.3Å; L560-V564 WeakPolarHBondContact O-CG2 3.3Å; L560-V564 PolarHBondContact O-N 2.86Å
561	W	65.7	Low	66.3	Low	135 Å²	135	85.4 Å²	85.4	51%	0.511	50%	0.498	S	S	.	.	H	α-helix	trans	-70.1	-34.3	170.9	-85.6	107.6	0	0	0	112.7	A557 E558 S563 V564 T565 P583	A557-W561 VanDerWaalsContact O-CD1 3.3Å; A557-W561 PolarHBondContact O-N 3.41Å; E558-W561 PolarHBondContact O-N 3.14Å; W561-S563 VanDerWaalsContact C-N 3.34Å; W561-V564 PolarHBondContact O-N 3.5Å; W561-T565 HydrophobicContact CE3-CG2 4.01Å; W561-T565 HydrophobicContact CZ3-CG2 4.48Å; W561-T565 WeakPolarHBondContact O-CB 3.03Å; W561-T565 WeakPolarHBondContact O-CG2 3.46Å; W561-T565 PolarHBondContact O-N 3.45Å; W561-T565 PolarHBondContact O-OG1 3.02Å; W561-P583 HydrophobicContact CD2-CB 3.95Å; W561-P583 HydrophobicContact CE3-CB 3.89Å; W561-P583 HydrophobicContact CG-CB 4.45Å; W561-P583 HydrophobicContact CZ3-CB 4.2Å
562	K	66.4	Low	66.5	Low	119 Å²	119	90.6 Å²	90.6	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-41.7	172.5	-77.1	175.1	-165.9	152.5	0	111	E558 D559 V564 T565 S566	E558-K562 WeakPolarHBondContact O-CG 3.49Å; E558-K562 PolarHBondContact O-N 3.17Å; D559-K562 WeakPolarHBondContact O-CB 3.48Å; D559-K562 PolarHBondContact O-N 3.34Å; D559-K562 IonicContact OD1-NZ 3.06Å; D559-K562 PolarHBondContact OD1-NZ 3.27Å; K562-V564 VanDerWaalsContact C-N 3.33Å; K562-V564 PolarHBondContact O-N 3.27Å; K562-T565 PolarHBondContact O-N 2.99Å; K562-S566 WeakPolarHBondContact O-CA 3.35Å; K562-S566 WeakPolarHBondContact O-CB 3.47Å; K562-S566 PolarHBondContact O-N 3.46Å; K562-S566 PolarHBondContact O-OG 3.46Å
563	S	69.6	Low	66.6	Low	79 Å²	79	95.6 Å²	95.6	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-40.3	178.2	71.8	0	0	0	0	112.1	D559 L560 W561	D559-S563 PolarHBondContact O-N 3.22Å; L560-S563 PolarHBondContact O-N 3.06Å; L560-S563 PolarHBondContact O-OG 3.3Å; W561-S563 VanDerWaalsContact C-N 3.34Å
564	V	70	Confident	67.1	Low	103 Å²	103	95.7 Å²	95.7	62%	0.624	51%	0.514	S	S	*	.	H	α-helix	trans	-75.1	-30.8	179.8	179.7	0	0	0	0	113.2	L560 W561 K562	L560-V564 WeakPolarHBondContact O-CG2 3.3Å; L560-V564 PolarHBondContact O-N 2.86Å; W561-V564 PolarHBondContact O-N 3.5Å; K562-V564 VanDerWaalsContact C-N 3.33Å; K562-V564 PolarHBondContact O-N 3.27Å
565	T	71.4	Confident	67.4	Low	39 Å²	39	93.7 Å²	93.7	24%	0.239	50%	0.501	C	S	.	.	H	α-helix	trans	-106.3	-7.2	-174.4	62.4	0	0	0	0	114.6	W561 K562 V580	W561-T565 HydrophobicContact CE3-CG2 4.01Å; W561-T565 HydrophobicContact CZ3-CG2 4.48Å; W561-T565 WeakPolarHBondContact O-CB 3.03Å; W561-T565 WeakPolarHBondContact O-CG2 3.46Å; W561-T565 PolarHBondContact O-N 3.45Å; W561-T565 PolarHBondContact O-OG1 3.02Å; K562-T565 PolarHBondContact O-N 2.99Å; T565-V580 HydrophobicContact CG2-CG1 4.29Å
566	S	76.2	Confident	67.8	Low	80 Å²	80	98.3 Å²	98.3	56%	0.559	50%	0.5	S	S	*	.			trans	-67.7	145.7	177.5	68.4	0	0	0	0	111.2	K562	K562-S566 WeakPolarHBondContact O-CA 3.35Å; K562-S566 WeakPolarHBondContact O-CB 3.47Å; K562-S566 PolarHBondContact O-N 3.46Å; K562-S566 PolarHBondContact O-OG 3.46Å
567	V	71.1	Confident	68.1	Low	43 Å²	43	94.2 Å²	94.2	26%	0.261	49%	0.49	S	S	.	.			trans	-127.2	136.7	173.9	-170.3	0	0	0	0	106.5	R576 A577 V580	V567-R576 HydrophobicContact CG1-CB 4.14Å; V567-A577 HydrophobicContact CG2-CB 4.44Å; V567-V580 HydrophobicContact CG2-CG2 3.38Å
568	S	70.6	Confident	68.3	Low	60 Å²	60	102.8 Å²	102.8	42%	0.42	51%	0.511	S	S	.	.			trans	-53.2	152.8	172.2	69.6	0	0	0	0	111.2	V570 G571 R572	S568-V570 PolarHBondContact O-N 3.33Å; S568-V570 VanDerWaalsContact O-N 3.14Å; S568-G571 PolarHBondContact O-N 3.36Å; S568-G571 PolarHBondContact OG-N 3.13Å; S568-G571 VanDerWaalsContact OG-N 3.16Å; S568-R572 PolarHBondContact O-N 2.94Å
569	N	71.5	Confident	68.3	Low	128 Å²	128	100.5 Å²	100.5	68%	0.684	51%	0.511	S	S	*	.	H	α-helix	trans	-55.3	-34.6	178.1	-77.5	-32.4	0	0	0	112	R572 K573	N569-R572 PolarHBondContact O-N 2.79Å; N569-K573 PolarHBondContact O-N 2.95Å
570	V	70.8	Confident	68.4	Low	74 Å²	74	98.6 Å²	98.6	45%	0.448	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-48.5	174.1	-178.7	0	0	0	0	111.2	S568 R572 K573 K574	S568-V570 PolarHBondContact O-N 3.33Å; S568-V570 VanDerWaalsContact O-N 3.14Å; V570-R572 VanDerWaalsContact C-N 3.27Å; V570-R572 PolarHBondContact O-N 3.19Å; V570-K573 WeakPolarHBondContact O-CB 3.36Å; V570-K573 PolarHBondContact O-N 3.21Å; V570-K573 VanDerWaalsContact O-N 3.16Å; V570-K574 HydrophobicContact CG1-CD 4.17Å; V570-K574 PolarHBondContact O-N 3.01Å
571	G	69	Low	68.3	Low	2 Å²	2	103.2 Å²	103.2	2%	0.021	51%	0.512	C	S	.	.	H	α-helix	trans	-62.4	-34.6	175.9	0	0	0	0	0	112.7	S568 K574 G575 R576	S568-G571 PolarHBondContact O-N 3.36Å; S568-G571 PolarHBondContact OG-N 3.13Å; S568-G571 VanDerWaalsContact OG-N 3.16Å; G571-K574 CarbonylContact O-C 3.6Å; G571-K574 PolarHBondContact O-N 3.22Å; G571-G575 PolarHBondContact O-N 2.74Å; G571-G575 VanDerWaalsContact O-N 3.08Å; G571-R576 WeakPolarHBondContact O-CB 3.47Å; G571-R576 PolarHBondContact O-N 3.34Å
572	R	67.1	Low	68.3	Low	176 Å²	176	107.5 Å²	107.5	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-41.3	174.1	-159.7	173.5	-165.6	169.4	3.7	111.7	S568 N569 V570 G575 A577	S568-R572 PolarHBondContact O-N 2.94Å; N569-R572 PolarHBondContact O-N 2.79Å; V570-R572 VanDerWaalsContact C-N 3.27Å; V570-R572 PolarHBondContact O-N 3.19Å; R572-G575 PolarHBondContact O-N 2.89Å; R572-A577 HydrophobicContact CB-CB 4.34Å; R572-A577 HydrophobicContact CG-CB 3.81Å
573	K	64.4	Low	68.2	Low	195 Å²	195	105.3 Å²	105.3	85%	0.848	53%	0.526	S	S	*	.	H	α-helix	trans	-65.7	-43.4	172.3	-78.4	-177.9	178.3	177.3	0	112.6	N569 V570 G575	N569-K573 PolarHBondContact O-N 2.95Å; V570-K573 WeakPolarHBondContact O-CB 3.36Å; V570-K573 PolarHBondContact O-N 3.21Å; V570-K573 VanDerWaalsContact O-N 3.16Å; K573-G575 PolarHBondContact O-N 3.19Å; K573-G575 VanDerWaalsContact O-N 3.12Å
574	K	72.2	Confident	67.9	Low	110 Å²	110	109.3 Å²	109.3	48%	0.478	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	0.5	174.1	-68.5	-179.2	-178.6	171.3	0	112.8	D182 V570 G571 R576	D182-K574 IonicContact OD1-NZ 2.93Å; D182-K574 PolarHBondContact OD1-NZ 2.89Å; D182-K574 IonicContact OD2-NZ 2.67Å; D182-K574 PolarHBondContact OD2-NZ 2.97Å; V570-K574 HydrophobicContact CG1-CD 4.17Å; V570-K574 PolarHBondContact O-N 3.01Å; G571-K574 CarbonylContact O-C 3.6Å; G571-K574 PolarHBondContact O-N 3.22Å; K574-R576 PolarHBondContact O-N 2.93Å
575	G	61.1	Low	67.6	Low	29 Å²	29	109.4 Å²	109.4	30%	0.299	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	3	174	0	0	0	0	0	115.6	G571 R572 K573 A577 R578	G571-G575 PolarHBondContact O-N 2.74Å; G571-G575 VanDerWaalsContact O-N 3.08Å; R572-G575 PolarHBondContact O-N 2.89Å; K573-G575 PolarHBondContact O-N 3.19Å; K573-G575 VanDerWaalsContact O-N 3.12Å; G575-A577 PolarHBondContact O-N 3.32Å; G575-A577 VanDerWaalsContact O-N 3.17Å; G575-R578 WeakPolarHBondContact O-CB 3.34Å; G575-R578 PolarHBondContact O-N 3.22Å
576	R	67.4	Low	67.5	Low	152 Å²	152	113.8 Å²	113.8	57%	0.574	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-58.9	-27.5	177.4	-66.9	-175.1	178.6	174.1	0.5	112.5	V567 G571 K574 R578 S579	V567-R576 HydrophobicContact CG1-CB 4.14Å; G571-R576 WeakPolarHBondContact O-CB 3.47Å; G571-R576 PolarHBondContact O-N 3.34Å; K574-R576 PolarHBondContact O-N 2.93Å; R576-R578 PolarHBondContact O-N 2.86Å; R576-S579 PolarHBondContact O-N 3.27Å; R576-S579 PolarHBondContact O-OG 2.87Å
577	A	67.9	Low	67.3	Low	42 Å²	42	115 Å²	115	35%	0.347	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-60.1	-18.1	173.4	0	0	0	0	0	114.2	V567 R572 G575	V567-A577 HydrophobicContact CG2-CB 4.44Å; R572-A577 HydrophobicContact CB-CB 4.34Å; R572-A577 HydrophobicContact CG-CB 3.81Å; G575-A577 PolarHBondContact O-N 3.32Å; G575-A577 VanDerWaalsContact O-N 3.17Å
578	R	66.9	Low	67.3	Low	236 Å²	236	120.1 Å²	120.1	89%	0.891	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-77.8	-25.1	176	-66.6	-174.9	176.6	173.9	3.9	113.3	G575 R576	G575-R578 WeakPolarHBondContact O-CB 3.34Å; G575-R578 PolarHBondContact O-N 3.22Å; R576-R578 PolarHBondContact O-N 2.86Å
579	S	64.7	Low	67.3	Low	98 Å²	98	119.2 Å²	119.2	69%	0.685	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-11.4	-179.6	54.5	0	0	0	0	113.4	R576 R581	R576-S579 PolarHBondContact O-N 3.27Å; R576-S579 PolarHBondContact O-OG 2.87Å; S579-R581 PolarHBondContact O-N 2.86Å
580	V	67.7	Low	67.5	Low	53 Å²	53	118 Å²	118	32%	0.321	56%	0.557	S	S	.	*	S	Bend	trans	-64.1	124.8	178	-179.7	0	0	0	0	110.1	T565 V567 R582	T565-V580 HydrophobicContact CG2-CG1 4.29Å; V567-V580 HydrophobicContact CG2-CG2 3.38Å; V580-R582 PolarHBondContact O-N 2.96Å
581	R	62.3	Low	67.8	Low	215 Å²	215	119.9 Å²	119.9	81%	0.811	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-68.1	124.3	175.1	-74.1	-176.8	167.2	-173.8	-0.9	108.9	S579	S579-R581 PolarHBondContact O-N 2.86Å
582	R	65.2	Low	68.1	Low	224 Å²	224	126.6 Å²	126.6	85%	0.845	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-67.5	141.9	172.8	-64.6	-176.6	-178.4	-170.7	-2.2	109.5	V580 K584	V580-R582 PolarHBondContact O-N 2.96Å; R582-K584 PolarHBondContact O-N 2.87Å
583	P	66	Low	68.6	Low	73 Å²	73	119 Å²	119	47%	0.474	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-56.2	127	174.2	22.9	-30.8	0	0	0	108.7	W561	W561-P583 HydrophobicContact CD2-CB 3.95Å; W561-P583 HydrophobicContact CE3-CB 3.89Å; W561-P583 HydrophobicContact CG-CB 4.45Å; W561-P583 HydrophobicContact CZ3-CB 4.2Å
584	K	61.6	Low	69.3	Low	163 Å²	163	114.2 Å²	114.2	71%	0.709	55%	0.551	S	S	*	*			trans	-93.5	115.6	177.6	-69.8	-179.8	-178.1	176.5	0	107.2	R582 L586	R582-K584 PolarHBondContact O-N 2.87Å; K584-L586 HydrophobicContact CB-CD2 4.47Å; K584-L586 PolarHBondContact O-N 3.27Å
585	D	64.7	Low	69.6	Low	106 Å²	106	110.5 Å²	110.5	57%	0.567	54%	0.544	S	S	*	.			trans	-69.9	102.3	168.6	-176.4	2.2	0	0	0	108.9	N587 R588	D585-N587 PolarHBondContact OD1-N 2.89Å; D585-R588 HydrophobicContact CB-CB 4.24Å; D585-R588 PolarHBondContact OD1-N 3.43Å
586	L	68.3	Low	70.3	Confident	131 Å²	131	114.7 Å²	114.7	69%	0.686	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-19	178.9	-62.7	177.5	0	0	0	112	K584	K584-L586 HydrophobicContact CB-CD2 4.47Å; K584-L586 PolarHBondContact O-N 3.27Å
587	N	72.5	Confident	70.9	Confident	105 Å²	105	112.6 Å²	112.6	56%	0.561	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-3.1	-176.3	-60.4	-11	0	0	0	111.7	D585 G589 Q590	D585-N587 PolarHBondContact OD1-N 2.89Å; N587-G589 PolarHBondContact O-N 3.31Å; N587-G589 VanDerWaalsContact O-N 3.1Å; N587-Q590 WeakPolarHBondContact O-CA 3.47Å; N587-Q590 WeakPolarHBondContact O-CB 3.38Å; N587-Q590 PolarHBondContact O-N 2.75Å
588	R	70.6	Confident	71.7	Confident	151 Å²	151	112.6 Å²	112.6	57%	0.57	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	115.9	-179.2	-157	172.9	-172.3	-167.8	1.8	111.4	D585	D585-R588 HydrophobicContact CB-CB 4.24Å; D585-R588 PolarHBondContact OD1-N 3.43Å
589	G	71.1	Confident	72.7	Confident	41 Å²	41	102 Å²	102	42%	0.423	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-1.5	-174	0	0	0	0	0	114.6	N587	N587-G589 PolarHBondContact O-N 3.31Å; N587-G589 VanDerWaalsContact O-N 3.1Å
590	Q	76.5	Confident	73.7	Confident	102 Å²	102	100.3 Å²	100.3	48%	0.477	51%	0.506	S	S	.	.			trans	-93.9	115.8	167	-66	-178.6	-28.7	0	0	108.7	N587	N587-Q590 WeakPolarHBondContact O-CA 3.47Å; N587-Q590 WeakPolarHBondContact O-CB 3.38Å; N587-Q590 PolarHBondContact O-N 2.75Å
591	E	75.9	Confident	74.7	Confident	113 Å²	113	103.2 Å²	103.2	53%	0.528	51%	0.511	S	S	.	.			trans	-99.2	139.8	171.2	-69.6	170.7	-171.4	0	0	108.8	G593 K594	E591-G593 PolarHBondContact O-N 3.37Å; E591-K594 HydrophobicContact CB-CD 4.14Å; E591-K594 HydrophobicContact CB-CG 4.37Å; E591-K594 PolarHBondContact O-N 2.91Å; E591-K594 WeakPolarHBondContact OE2-CD 3.37Å; E591-K594 WeakPolarHBondContact OE2-CE 3.3Å; E591-K594 IonicContact OE2-NZ 3.31Å; E591-K594 PolarHBondContact OE2-NZ 3.2Å
592	I	76.2	Confident	75.7	Confident	143 Å²	143	94.6 Å²	94.6	73%	0.733	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	128.5	-180	-63.6	171.4	0	0	0	108.5	L604	I592-L604 HydrophobicContact CG2-CD2 3.54Å; I592-L604 HydrophobicContact CG2-CG 3.93Å
593	G	77.9	Confident	76.6	Confident	18 Å²	18	86.4 Å²	86.4	19%	0.186	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-9	-175.4	0	0	0	0	0	115.3	E591 N605	E591-G593 PolarHBondContact O-N 3.37Å; G593-N605 PolarHBondContact O-ND2 3.11Å
594	K	78.4	Confident	77.4	Confident	94 Å²	94	88 Å²	88	41%	0.409	47%	0.472	S	S	.	.			trans	-95.3	96.1	172.4	-67.7	-171.9	179.2	167.1	0	110.5	E591 N605 R626	E591-K594 HydrophobicContact CB-CD 4.14Å; E591-K594 HydrophobicContact CB-CG 4.37Å; E591-K594 PolarHBondContact O-N 2.91Å; E591-K594 WeakPolarHBondContact OE2-CD 3.37Å; E591-K594 WeakPolarHBondContact OE2-CE 3.3Å; E591-K594 IonicContact OE2-NZ 3.31Å; E591-K594 PolarHBondContact OE2-NZ 3.2Å; K594-N605 HydrophobicContact CG-CB 4.45Å; K594-R626 PolarHBondContact O-NH2 3.28Å
595	G	79.3	Confident	78.5	Confident	32 Å²	32	82.2 Å²	82.2	33%	0.33	45%	0.449	S	S	.	.			trans	-95.3	176.3	178.3	0	0	0	0	0	113.9	I597 R626	G595-I597 CarbonylContact C-O 3.17Å; G595-I597 CarbonylContact O-C 3.56Å; G595-I597 PolarHBondContact O-N 2.98Å; G595-R626 VanDerWaalsContact C-NH1 3.32Å; G595-R626 VanDerWaalsContact O-CZ 3.3Å; G595-R626 PolarHBondContact O-NH1 2.92Å; G595-R626 PolarHBondContact O-NH2 3.36Å
596	S	76.2	Confident	79.3	Confident	117 Å²	117	77.7 Å²	77.7	82%	0.818	43%	0.425	S	S	*	.	S	Bend	trans	-54.5	-36.9	171.3	49.8	0	0	0	0	111.7
597	I	79.1	Confident	80.1	Confident	108 Å²	108	75.8 Å²	75.8	55%	0.554	42%	0.421	S	S	*	.	S	Bend	trans	-84	116	167.8	-54.5	162.5	0	0	0	107.5	G595 T599 Y619	G595-I597 CarbonylContact C-O 3.17Å; G595-I597 CarbonylContact O-C 3.56Å; G595-I597 PolarHBondContact O-N 2.98Å; I597-T599 HydrophobicContact CG2-CG2 3.96Å; I597-T599 PolarHBondContact O-N 3.29Å; I597-T599 PolarHBondContact O-OG1 2.83Å; I597-T599 VanDerWaalsContact O-OG1 3.11Å; I597-Y619 HydrophobicContact CG2-CD1 3.75Å; I597-Y619 HydrophobicContact CG2-CE1 4.01Å
598	N	84	Confident	80.6	Confident	41 Å²	41	75.9 Å²	75.9	22%	0.219	42%	0.421	C	S	.	.			trans	-67.7	106.1	178.6	-159.8	14.6	0	0	0	108.5	L620 P621	N598-L620 HydrophobicContact CB-CB 4Å; N598-L620 WeakPolarHBondContact ND2-CB 3.02Å; N598-L620 PolarHBondContact O-N 3.1Å; N598-P621 PolarHBondContact ND2-O 3.43Å
599	T	88.1	Confident	81.1	Confident	15 Å²	15	74.1 Å²	74.1	9%	0.092	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.2	-173.3	34	0	0	0	0	108.6	I597 W601 N605 Y619	I597-T599 HydrophobicContact CG2-CG2 3.96Å; I597-T599 PolarHBondContact O-N 3.29Å; I597-T599 PolarHBondContact O-OG1 2.83Å; I597-T599 VanDerWaalsContact O-OG1 3.11Å; T599-W601 VanDerWaalsContact CB-NE1 3.34Å; T599-W601 PolarHBondContact OG1-NE1 3.02Å; T599-N605 PolarHBondContact O-ND2 2.88Å; T599-Y619 HydrophobicContact CG2-CD1 3.3Å; T599-Y619 HydrophobicContact CG2-CE1 3.4Å; T599-Y619 HydrophobicContact CG2-CG 4.26Å
600	M	85.5	Confident	81.5	Confident	62 Å²	62	74.9 Å²	74.9	31%	0.305	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.7	169.1	-74.8	-83.8	-77.1	0	0	108.6	H617 K618 L620	M600-H617 VanDerWaalsContact O-CA 3.22Å; M600-H617 WeakPolarHBondContact O-CA 3.48Å; M600-K618 PolarHBondContact N-O 3.25Å; M600-K618 PolarHBondContact O-N 3.06Å; M600-L620 HydrophobicContact CG-CD1 3.41Å; M600-L620 VanDerWaalsContact CG-CD1 3.41Å; M600-L620 HydrophobicContact CG-CD2 3.95Å; M600-L620 HydrophobicContact CG-CG 3.56Å; M600-L620 HydrophobicContact SD-CD1 3.95Å
601	W	88.6	Confident	81.6	Confident	113 Å²	113	73.4 Å²	73.4	43%	0.428	44%	0.435	S	S	.	.			trans	-117.5	101.8	178	-68	96.7	0	0	0	108.7	T599 G603 L604 N605 S606 H617	T599-W601 VanDerWaalsContact CB-NE1 3.34Å; T599-W601 PolarHBondContact OG1-NE1 3.02Å; W601-G603 PolarHBondContact O-N 3.27Å; W601-L604 HydrophobicContact CB-CB 3.67Å; W601-L604 PolarHBondContact O-N 3.36Å; W601-N605 PolarHBondContact N-OD1 2.98Å; W601-N605 PolarHBondContact O-N 2.82Å; W601-N605 VanDerWaalsContact O-N 3.09Å; W601-N605 PolarHBondContact O-OD1 3.43Å; W601-S606 PolarHBondContact O-N 3.5Å; W601-S606 PolarHBondContact O-OG 3.36Å; W601-H617 HydrophobicContact CE3-CB 4.34Å; W601-H617 HydrophobicContact CZ3-CB 4.46Å
602	P	84.3	Confident	81.9	Confident	35 Å²	35	78.1 Å²	78.1	23%	0.227	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-54.9	122.5	174.6	-21.1	30	0	0	0	110.9	S606 L608 L615	P602-S606 WeakPolarHBondContact CA-OG 3.03Å; P602-L608 HydrophobicContact CB-CD2 4.4Å; P602-L615 HydrophobicContact CB-CB 4.22Å; P602-L615 WeakPolarHBondContact CB-O 3.25Å; P602-L615 HydrophobicContact CG-CB 3.96Å; P602-L615 WeakPolarHBondContact CG-O 3.45Å
603	G	84.3	Confident	82	Confident	51 Å²	51	78.3 Å²	78.3	53%	0.526	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-14.8	-175.6	0	0	0	0	0	115.4	W601 S606	W601-G603 PolarHBondContact O-N 3.27Å; G603-S606 PolarHBondContact N-O 3.04Å
604	L	83.1	Confident	82.2	Confident	106 Å²	106	83.8 Å²	83.8	56%	0.555	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-59.4	178.3	-118.8	86.7	0	0	0	112.3	I592 W601	I592-L604 HydrophobicContact CG2-CD2 3.54Å; I592-L604 HydrophobicContact CG2-CG 3.93Å; W601-L604 HydrophobicContact CB-CB 3.67Å; W601-L604 PolarHBondContact O-N 3.36Å
605	N	84.3	Confident	82.3	Confident	43 Å²	43	81.6 Å²	81.6	23%	0.23	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-10.3	-177.6	68	5.8	0	0	0	113.5	G593 K594 T599 W601	G593-N605 PolarHBondContact O-ND2 3.11Å; K594-N605 HydrophobicContact CG-CB 4.45Å; T599-N605 PolarHBondContact O-ND2 2.88Å; W601-N605 PolarHBondContact N-OD1 2.98Å; W601-N605 PolarHBondContact O-N 2.82Å; W601-N605 VanDerWaalsContact O-N 3.09Å; W601-N605 PolarHBondContact O-OD1 3.43Å
606	S	82	Confident	82.5	Confident	11 Å²	11	87 Å²	87	8%	0.077	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-129	153.7	171.8	71.1	0	0	0	0	109.7	W601 P602 G603	W601-S606 PolarHBondContact O-N 3.5Å; W601-S606 PolarHBondContact O-OG 3.36Å; P602-S606 WeakPolarHBondContact CA-OG 3.03Å; G603-S606 PolarHBondContact N-O 3.04Å
607	P	84.4	Confident	82.9	Confident	91 Å²	91	86.6 Å²	86.6	59%	0.591	47%	0.47	S	S	*	.			trans	-58.5	155.6	170.2	25.4	-33.1	0	0	0	111.2	M609 L615	P607-M609 VanDerWaalsContact C-N 3.29Å; P607-M609 PolarHBondContact O-N 3.27Å; P607-L615 WeakPolarHBondContact O-CD1 3.19Å
608	L	83	Confident	83.2	Confident	106 Å²	106	88 Å²	88	56%	0.555	47%	0.472	S	S	*	.	S	Bend	trans	-66.2	-30.1	178.8	-83.4	153.3	0	0	0	112.8	P602 L615	P602-L608 HydrophobicContact CB-CD2 4.4Å; L608-L615 PolarHBondContact O-N 2.86Å
609	M	82	Confident	83.3	Confident	114 Å²	114	94 Å²	94	56%	0.562	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.2	-179.2	-62.8	-165.5	-66.8	0	0	110.7	P607 E613	P607-M609 VanDerWaalsContact C-N 3.29Å; P607-M609 PolarHBondContact O-N 3.27Å; M609-E613 WeakPolarHBondContact CA-O 3.29Å
610	A	78	Confident	83.1	Confident	57 Å²	57	96.8 Å²	96.8	47%	0.471	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	100.3	165.3	0	0	0	0	0	108.3	K612 E613 L615	A610-K612 PolarHBondContact O-N 3.48Å; A610-E613 PolarHBondContact N-O 3.13Å; A610-E613 PolarHBondContact O-N 3.42Å; A610-L615 HydrophobicContact CB-CD1 3.78Å; A610-L615 HydrophobicContact CB-CD2 3.94Å; A610-L615 HydrophobicContact CB-CG 3.91Å
611	G	79.6	Confident	83.1	Confident	72 Å²	72	98.6 Å²	98.6	74%	0.742	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	-120	-172.2	0	0	0	0	0	111.3
612	K	81.1	Confident	82.8	Confident	211 Å²	211	98.7 Å²	98.7	92%	0.917	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.7	179.6	-69.8	-175.7	177.9	-179.5	0	113.9	A610	A610-K612 PolarHBondContact O-N 3.48Å
613	E	78.7	Confident	82.6	Confident	148 Å²	148	99.8 Å²	99.8	69%	0.692	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.5	-174.6	-68.9	179.3	-177.8	0	0	111	M609 A610 L615	M609-E613 WeakPolarHBondContact CA-O 3.29Å; A610-E613 PolarHBondContact N-O 3.13Å; A610-E613 PolarHBondContact O-N 3.42Å; E613-L615 PolarHBondContact O-N 2.97Å
614	L	82.1	Confident	82.4	Confident	133 Å²	133	102.4 Å²	102.4	70%	0.696	55%	0.55	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.6	120.2	172.1	-147.1	128.8	0	0	0	107.6
615	L	80.5	Confident	82.3	Confident	47 Å²	47	101.4 Å²	101.4	25%	0.246	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-73.8	135.2	-175.8	-75.1	169.7	0	0	0	109.7	P602 P607 L608 A610 E613	P602-L615 HydrophobicContact CB-CB 4.22Å; P602-L615 WeakPolarHBondContact CB-O 3.25Å; P602-L615 HydrophobicContact CG-CB 3.96Å; P602-L615 WeakPolarHBondContact CG-O 3.45Å; P607-L615 WeakPolarHBondContact O-CD1 3.19Å; L608-L615 PolarHBondContact O-N 2.86Å; A610-L615 HydrophobicContact CB-CD1 3.78Å; A610-L615 HydrophobicContact CB-CD2 3.94Å; A610-L615 HydrophobicContact CB-CG 3.91Å; E613-L615 PolarHBondContact O-N 2.97Å
616	E	83.4	Confident	82.1	Confident	147 Å²	147	102.4 Å²	102.4	69%	0.687	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-94.8	159.5	168.8	-66.9	-176.4	166.2	0	0	110.7	K618	E616-K618 PolarHBondContact O-N 3.43Å
617	H	84.8	Confident	81.9	Confident	108 Å²	108	105 Å²	105	50%	0.5	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-65.4	131	175.5	73	-78.5	0	0	0	110.3	M600 W601	M600-H617 VanDerWaalsContact O-CA 3.22Å; M600-H617 WeakPolarHBondContact O-CA 3.48Å; W601-H617 HydrophobicContact CE3-CB 4.34Å; W601-H617 HydrophobicContact CZ3-CB 4.46Å
618	K	86.1	Confident	81.8	Confident	136 Å²	136	106 Å²	106	59%	0.591	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.7	139.2	-177.7	-70.8	-176.1	-179.3	178.7	0	111	M600 E616 L620	M600-K618 PolarHBondContact N-O 3.25Å; M600-K618 PolarHBondContact O-N 3.06Å; E616-K618 PolarHBondContact O-N 3.43Å; K618-L620 PolarHBondContact O-N 3.06Å
619	Y	86	Confident	81.6	Confident	167 Å²	167	107.3 Å²	107.3	66%	0.655	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.9	121.7	172	-64.5	-82.3	0	0	0	109.2	I597 T599	I597-Y619 HydrophobicContact CG2-CD1 3.75Å; I597-Y619 HydrophobicContact CG2-CE1 4.01Å; T599-Y619 HydrophobicContact CG2-CD1 3.3Å; T599-Y619 HydrophobicContact CG2-CE1 3.4Å; T599-Y619 HydrophobicContact CG2-CG 4.26Å
620	L	82.7	Confident	81.5	Confident	74 Å²	74	103.3 Å²	103.3	39%	0.387	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-88.2	156.1	174.4	-70.9	179.5	0	0	0	110.1	N598 M600 K618	N598-L620 HydrophobicContact CB-CB 4Å; N598-L620 WeakPolarHBondContact ND2-CB 3.02Å; N598-L620 PolarHBondContact O-N 3.1Å; M600-L620 HydrophobicContact CG-CD1 3.41Å; M600-L620 VanDerWaalsContact CG-CD1 3.41Å; M600-L620 HydrophobicContact CG-CD2 3.95Å; M600-L620 HydrophobicContact CG-CG 3.56Å; M600-L620 HydrophobicContact SD-CD1 3.95Å; K618-L620 PolarHBondContact O-N 3.06Å
621	P	85.4	Confident	81.4	Confident	100 Å²	100	105.3 Å²	105.3	65%	0.649	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-56.5	144.6	172.2	22	-31.7	0	0	0	111.2	N598 D623	N598-P621 PolarHBondContact ND2-O 3.43Å; P621-D623 PolarHBondContact O-N 3.32Å
622	P	82.9	Confident	81.3	Confident	116 Å²	116	108.3 Å²	108.3	75%	0.753	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-62.4	130.6	178.7	24.1	-31.5	0	0	0	110.5	P624	P622-P624 VanDerWaalsContact O-CD 3.23Å; P622-P624 WeakPolarHBondContact O-CD 3.48Å
623	D	79.6	Confident	80.9	Confident	57 Å²	57	102.1 Å²	102.1	31%	0.305	52%	0.515	S	S	.	.			trans	-92.9	98.8	175.9	-176.8	2.8	0	0	0	109	P621 D625 R626 R629	P621-D623 PolarHBondContact O-N 3.32Å; D623-D625 VanDerWaalsContact C-N 3.26Å; D623-D625 PolarHBondContact O-N 3.31Å; D623-D625 PolarHBondContact OD1-N 2.96Å; D623-R626 HydrophobicContact CB-CB 4.14Å; D623-R626 VanDerWaalsContact O-CB 3.31Å; D623-R626 WeakPolarHBondContact O-CB 3.45Å; D623-R626 PolarHBondContact O-N 3.49Å; D623-R629 VanDerWaalsContact CG-NH2 3.32Å; D623-R629 IonicContact OD1-CZ 4Å; D623-R629 IonicContact OD1-NH2 2.94Å; D623-R629 PolarHBondContact OD1-NH2 2.85Å; D623-R629 IonicContact OD2-CZ 2.89Å; D623-R629 IonicContact OD2-NH1 2.69Å; D623-R629 PolarHBondContact OD2-NH1 2.95Å; D623-R629 VanDerWaalsContact OD2-NH1 3.16Å; D623-R629 IonicContact OD2-NH2 2.68Å; D623-R629 PolarHBondContact OD2-NH2 3.41Å
624	P	80.1	Confident	80.6	Confident	107 Å²	107	101.1 Å²	101.1	70%	0.695	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.3	-175.1	25.7	-33.8	0	0	0	112.2	P622 R626	P622-P624 VanDerWaalsContact O-CD 3.23Å; P622-P624 WeakPolarHBondContact O-CD 3.48Å; P624-R626 PolarHBondContact O-N 3.36Å
625	D	82.4	Confident	79.9	Confident	84 Å²	84	100.1 Å²	100.1	45%	0.449	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.6	-176.1	-62.4	-17.5	0	0	0	112.8	D623 A627 E628 R629	D623-D625 VanDerWaalsContact C-N 3.26Å; D623-D625 PolarHBondContact O-N 3.31Å; D623-D625 PolarHBondContact OD1-N 2.96Å; D625-A627 VanDerWaalsContact C-N 3.32Å; D625-A627 PolarHBondContact O-N 3.32Å; D625-E628 PolarHBondContact O-N 3.35Å; D625-R629 WeakPolarHBondContact O-CG 3.43Å; D625-R629 PolarHBondContact O-N 3.1Å
626	R	79.8	Confident	79.2	Confident	65 Å²	65	102.1 Å²	102.1	25%	0.245	51%	0.514	C	S	.	.	H	α-helix	trans	-60	-43.1	-177.7	178.7	172.5	173.1	-121.1	8.1	111.9	K594 G595 D623 P624 E628 R629 L630	K594-R626 PolarHBondContact O-NH2 3.28Å; G595-R626 VanDerWaalsContact C-NH1 3.32Å; G595-R626 VanDerWaalsContact O-CZ 3.3Å; G595-R626 PolarHBondContact O-NH1 2.92Å; G595-R626 PolarHBondContact O-NH2 3.36Å; D623-R626 HydrophobicContact CB-CB 4.14Å; D623-R626 VanDerWaalsContact O-CB 3.31Å; D623-R626 WeakPolarHBondContact O-CB 3.45Å; D623-R626 PolarHBondContact O-N 3.49Å; P624-R626 PolarHBondContact O-N 3.36Å; R626-E628 VanDerWaalsContact C-N 3.33Å; R626-R629 PolarHBondContact O-N 3.44Å; R626-L630 HydrophobicContact CG-CD1 4.16Å; R626-L630 WeakPolarHBondContact O-CB 3.28Å; R626-L630 PolarHBondContact O-N 2.93Å
627	A	77.8	Confident	78.2	Confident	66 Å²	66	99 Å²	99	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41	179.1	0	0	0	0	0	111.1	D625 L630 L631	D625-A627 VanDerWaalsContact C-N 3.32Å; D625-A627 PolarHBondContact O-N 3.32Å; A627-L630 PolarHBondContact O-N 2.95Å; A627-L631 WeakPolarHBondContact O-CB 3.44Å; A627-L631 PolarHBondContact O-N 2.89Å
628	E	80.8	Confident	76.7	Confident	112 Å²	112	102.9 Å²	102.9	52%	0.523	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-42.1	175.6	-68.2	-163.1	171.9	0	0	112.7	D625 R626 L630 L631 K632	D625-E628 PolarHBondContact O-N 3.35Å; R626-E628 VanDerWaalsContact C-N 3.33Å; E628-L630 VanDerWaalsContact C-N 3.35Å; E628-L631 PolarHBondContact O-N 3.35Å; E628-K632 WeakPolarHBondContact O-CB 3.41Å; E628-K632 WeakPolarHBondContact O-CG 3.25Å; E628-K632 PolarHBondContact O-N 3.01Å
629	R	80.2	Confident	75.2	Confident	133 Å²	133	104.9 Å²	104.9	50%	0.502	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-43.9	175.5	-72.7	-173.9	-125	137.1	9.1	110.9	D623 D625 R626 K632 L633	D623-R629 VanDerWaalsContact CG-NH2 3.32Å; D623-R629 IonicContact OD1-CZ 4Å; D623-R629 IonicContact OD1-NH2 2.94Å; D623-R629 PolarHBondContact OD1-NH2 2.85Å; D623-R629 IonicContact OD2-CZ 2.89Å; D623-R629 IonicContact OD2-NH1 2.69Å; D623-R629 PolarHBondContact OD2-NH1 2.95Å; D623-R629 VanDerWaalsContact OD2-NH1 3.16Å; D623-R629 IonicContact OD2-NH2 2.68Å; D623-R629 PolarHBondContact OD2-NH2 3.41Å; D625-R629 WeakPolarHBondContact O-CG 3.43Å; D625-R629 PolarHBondContact O-N 3.1Å; R626-R629 PolarHBondContact O-N 3.44Å; R629-K632 PolarHBondContact O-N 3.34Å; R629-L633 WeakPolarHBondContact O-CB 3.4Å; R629-L633 PolarHBondContact O-N 3.19Å
630	L	78.5	Confident	73.6	Confident	29 Å²	29	101.3 Å²	101.3	15%	0.152	53%	0.528	C	S	.	.	H	α-helix	trans	-62.6	-40.9	174.6	-106.6	141.3	0	0	0	112.2	R626 A627 E628 L633 R634	R626-L630 HydrophobicContact CG-CD1 4.16Å; R626-L630 WeakPolarHBondContact O-CB 3.28Å; R626-L630 PolarHBondContact O-N 2.93Å; A627-L630 PolarHBondContact O-N 2.95Å; E628-L630 VanDerWaalsContact C-N 3.35Å; L630-L633 PolarHBondContact O-N 2.93Å; L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CG 3.43Å; L630-R634 PolarHBondContact O-N 3.26Å
631	L	75.9	Confident	72.4	Confident	99 Å²	99	108.3 Å²	108.3	52%	0.518	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-49.2	173.7	-90.6	162.4	0	0	0	111.5	A627 E628 L633 R634 E635	A627-L631 WeakPolarHBondContact O-CB 3.44Å; A627-L631 PolarHBondContact O-N 2.89Å; E628-L631 PolarHBondContact O-N 3.35Å; L631-L633 VanDerWaalsContact C-N 3.31Å; L631-L633 PolarHBondContact O-N 2.84Å; L631-R634 CarbonylContact O-C 3.56Å; L631-R634 PolarHBondContact O-N 3.01Å; L631-R634 VanDerWaalsContact O-N 3.14Å; L631-E635 WeakPolarHBondContact O-CB 3.21Å; L631-E635 WeakPolarHBondContact O-CG 3.39Å; L631-E635 PolarHBondContact O-N 3.36Å
632	K	78.3	Confident	71.2	Confident	135 Å²	135	109.7 Å²	109.7	59%	0.587	56%	0.556	S	S	*	*	H	α-helix	trans	-58	-42.1	176	-78.3	175.9	179.6	165.1	0	111.9	E628 R629 E635 S636	E628-K632 WeakPolarHBondContact O-CB 3.41Å; E628-K632 WeakPolarHBondContact O-CG 3.25Å; E628-K632 PolarHBondContact O-N 3.01Å; R629-K632 PolarHBondContact O-N 3.34Å; K632-E635 PolarHBondContact O-N 3.24Å; K632-S636 WeakPolarHBondContact O-CB 3.46Å; K632-S636 PolarHBondContact O-N 2.88Å
633	L	73	Confident	70.5	Confident	82 Å²	82	113.2 Å²	113.2	43%	0.429	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-43.6	176.2	-125.5	147	0	0	0	111.3	R629 L630 L631 S636	R629-L633 WeakPolarHBondContact O-CB 3.4Å; R629-L633 PolarHBondContact O-N 3.19Å; L630-L633 PolarHBondContact O-N 2.93Å; L631-L633 VanDerWaalsContact C-N 3.31Å; L631-L633 PolarHBondContact O-N 2.84Å; L633-S636 PolarHBondContact O-OG 3.05Å
634	R	71.8	Confident	70.4	Confident	126 Å²	126	113.1 Å²	113.1	48%	0.475	56%	0.559	S	S	.	*	H	α-helix	trans	-69.5	-35.9	176.6	-72.5	170.7	175.2	-177.9	-2.8	112.9	L630 L631 V637 R638	L630-R634 WeakPolarHBondContact O-CB 3.39Å; L630-R634 WeakPolarHBondContact O-CG 3.43Å; L630-R634 PolarHBondContact O-N 3.26Å; L631-R634 CarbonylContact O-C 3.56Å; L631-R634 PolarHBondContact O-N 3.01Å; L631-R634 VanDerWaalsContact O-N 3.14Å; R634-V637 PolarHBondContact O-N 3.16Å; R634-R638 PolarHBondContact O-N 2.9Å
635	E	67.2	Low	70.4	Confident	112 Å²	112	113.3 Å²	113.3	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-72.4	-35.3	177.7	-77.9	-170.1	158.7	0	0	112.6	L631 K632 V637 R638	L631-E635 WeakPolarHBondContact O-CB 3.21Å; L631-E635 WeakPolarHBondContact O-CG 3.39Å; L631-E635 PolarHBondContact O-N 3.36Å; K632-E635 PolarHBondContact O-N 3.24Å; E635-V637 PolarHBondContact O-N 3.43Å; E635-V637 VanDerWaalsContact O-N 3.08Å; E635-R638 WeakPolarHBondContact O-CA 3.2Å; E635-R638 VanDerWaalsContact O-CB 3.26Å; E635-R638 WeakPolarHBondContact O-CB 3.13Å; E635-R638 PolarHBondContact O-N 3.44Å
636	S	67.2	Low	70.6	Confident	90 Å²	90	113.5 Å²	113.5	63%	0.629	56%	0.556	S	S	*	*	H	α-helix	trans	-57.5	-25.1	173.9	76.6	0	0	0	0	112.7	K632 L633	K632-S636 WeakPolarHBondContact O-CB 3.46Å; K632-S636 PolarHBondContact O-N 2.88Å; L633-S636 PolarHBondContact O-OG 3.05Å
637	V	62.2	Low	70.7	Confident	81 Å²	81	117.8 Å²	117.8	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-85.1	-21.9	174.3	-179.3	0	0	0	0	112.3	R634 E635 M639	R634-V637 PolarHBondContact O-N 3.16Å; E635-V637 PolarHBondContact O-N 3.43Å; E635-V637 VanDerWaalsContact O-N 3.08Å; V637-M639 PolarHBondContact O-N 2.96Å
638	R	53.3	Low	70.9	Confident	190 Å²	190	120.3 Å²	120.3	72%	0.717	58%	0.583	S	S	*	*			trans	-70.8	82.8	177.3	-146.8	-179.7	-162.1	-176	5.6	107.9	R634 E635 S640	R634-R638 PolarHBondContact O-N 2.9Å; E635-R638 WeakPolarHBondContact O-CA 3.2Å; E635-R638 VanDerWaalsContact O-CB 3.26Å; E635-R638 WeakPolarHBondContact O-CB 3.13Å; E635-R638 PolarHBondContact O-N 3.44Å; R638-S640 PolarHBondContact O-N 3.17Å
639	M	53.3	Low	71.3	Confident	177 Å²	177	119.5 Å²	119.5	87%	0.872	58%	0.576	S	S	*	*			trans	-62.7	24	175.6	-73.1	-76.8	-69.1	0	0	113.9	V637 R641	V637-M639 PolarHBondContact O-N 2.96Å; M639-R641 PolarHBondContact O-N 3.42Å
640	S	53.3	Low	71.6	Confident	92 Å²	92	113.7 Å²	113.7	64%	0.643	56%	0.558	S	S	*	*	S	Bend	trans	-63.3	116.7	160	-179	0	0	0	0	106.7	R638 T642	R638-S640 PolarHBondContact O-N 3.17Å; S640-T642 PolarHBondContact O-N 3.44Å
641	R	57.4	Low	72.2	Confident	222 Å²	222	116.2 Å²	116.2	84%	0.838	57%	0.565	S	S	*	*			trans	-45.9	111.3	177.4	-68	175.7	172.4	171.3	-1.5	108.5	M639 K643	M639-R641 PolarHBondContact O-N 3.42Å; R641-K643 PolarHBondContact O-N 3.1Å
642	T	60.4	Low	72.7	Confident	128 Å²	128	113.3 Å²	113.3	79%	0.785	55%	0.553	S	S	*	*			trans	-51.4	117.9	173.1	41.5	0	0	0	0	107.6	S640 L644	S640-T642 PolarHBondContact O-N 3.44Å; T642-L644 PolarHBondContact O-N 3.11Å
643	K	68.8	Low	73.1	Confident	191 Å²	191	108.2 Å²	108.2	83%	0.83	54%	0.539	S	S	*	.			trans	-69.6	107.1	179.9	-77.1	-179	-179.8	175.5	0	106.7	R641	R641-K643 PolarHBondContact O-N 3.1Å
644	L	77.1	Confident	73.5	Confident	55 Å²	55	108.5 Å²	108.5	29%	0.288	54%	0.544	S	S	.	.			trans	-59.9	148.3	176.6	-73.4	155.9	0	0	0	111.2	T642 E648 R649	T642-L644 PolarHBondContact O-N 3.11Å; L644-E648 WeakPolarHBondContact CD2-OE2 3.4Å; L644-R649 VanDerWaalsContact O-CZ 3.22Å; L644-R649 PolarHBondContact O-NE 3.4Å; L644-R649 PolarHBondContact O-NH2 2.83Å
645	H	80.9	Confident	74.3	Confident	111 Å²	111	104.6 Å²	104.6	51%	0.514	54%	0.536	S	S	.	.			trans	-62.6	143.8	-179.7	-167.8	-97.2	0	0	0	110.6	L647 E648 R649	H645-L647 PolarHBondContact ND1-N 3.31Å; H645-L647 PolarHBondContact O-N 3.4Å; H645-L647 VanDerWaalsContact O-N 3.14Å; H645-E648 HydrophobicContact CB-CG 4.35Å; H645-E648 PolarHBondContact O-N 3.45Å; H645-R649 WeakPolarHBondContact O-CG 3.45Å
646	P	84.6	Confident	75.3	Confident	87 Å²	87	101.2 Å²	101.2	57%	0.565	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-52.8	-34.4	-178.6	-30	36.9	0	0	0	115.1	E648 R649	P646-E648 VanDerWaalsContact C-N 3.33Å; P646-E648 PolarHBondContact O-N 3.08Å; P646-R649 WeakPolarHBondContact O-CB 3.4Å; P646-R649 PolarHBondContact O-N 2.97Å
647	L	83.4	Confident	76.5	Confident	156 Å²	156	100.2 Å²	100.2	82%	0.817	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-69.5	-25.4	179.1	-62.9	174.7	0	0	0	114	H645 R649	H645-L647 PolarHBondContact ND1-N 3.31Å; H645-L647 PolarHBondContact O-N 3.4Å; H645-L647 VanDerWaalsContact O-N 3.14Å; L647-R649 VanDerWaalsContact C-N 3.32Å
648	E	81.9	Confident	77.8	Confident	118 Å²	118	97 Å²	97	55%	0.551	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-88.4	-4.1	179.1	-61.1	177.5	162	0	0	112.5	L644 H645 P646	L644-E648 WeakPolarHBondContact CD2-OE2 3.4Å; H645-E648 HydrophobicContact CB-CG 4.35Å; H645-E648 PolarHBondContact O-N 3.45Å; P646-E648 VanDerWaalsContact C-N 3.33Å; P646-E648 PolarHBondContact O-N 3.08Å
649	R	88.2	Confident	79.6	Confident	95 Å²	95	89.2 Å²	89.2	36%	0.358	46%	0.459	S	S	.	.			trans	-84.9	137.3	-177.7	-66.1	178.4	-169.9	-179.6	3.6	110.1	L644 H645 P646 L647 G653	L644-R649 VanDerWaalsContact O-CZ 3.22Å; L644-R649 PolarHBondContact O-NE 3.4Å; L644-R649 PolarHBondContact O-NH2 2.83Å; H645-R649 WeakPolarHBondContact O-CG 3.45Å; P646-R649 WeakPolarHBondContact O-CB 3.4Å; P646-R649 PolarHBondContact O-N 2.97Å; L647-R649 VanDerWaalsContact C-N 3.32Å; R649-G653 WeakPolarHBondContact CB-O 3.34Å; R649-G653 WeakPolarHBondContact CG-O 3.45Å
650	G	87.6	Confident	81.4	Confident	12 Å²	12	85 Å²	85	12%	0.124	44%	0.439	C	S	.	.	B	Isolated β-bridge	trans	-81.8	-176.8	168.6	0	0	0	0	0	111.9	S652 G653 K657 G658	G650-S652 PolarHBondContact O-N 3.28Å; G650-G653 PolarHBondContact O-N 3.46Å; G650-K657 WeakPolarHBondContact CA-O 3.39Å; G650-G658 VanDerWaalsContact CA-C 3.41Å; G650-G658 VanDerWaalsContact CA-O 3.27Å; G650-G658 WeakPolarHBondContact CA-O 3.43Å
651	W	90.1	Very high	83.2	Confident	82 Å²	82	82.9 Å²	82.9	31%	0.311	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.8	176.9	61.4	77.9	0	0	0	114.3	K657 L681 A780 Y801	W651-K657 HydrophobicContact CZ2-CB 4.39Å; W651-K657 PolarHBondContact N-O 3.18Å; W651-L681 HydrophobicContact CH2-CD2 3.94Å; W651-A780 HydrophobicContact CH2-CB 4.16Å; W651-A780 HydrophobicContact CZ3-CB 4.01Å; W651-Y801 HydrophobicContact CZ2-CE1 4.43Å
652	S	87.4	Confident	84.7	Confident	37 Å²	37	74.4 Å²	74.4	26%	0.259	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	15.6	172.2	65	0	0	0	0	113.6	G650 T654 S655 K657	G650-S652 PolarHBondContact O-N 3.28Å; S652-T654 PolarHBondContact O-N 3.23Å; S652-S655 PolarHBondContact O-N 2.98Å; S652-S655 WeakPolarHBondContact OG-CB 3.49Å; S652-S655 PolarHBondContact OG-O 2.78Å; S652-K657 PolarHBondContact N-O 3.01Å; S652-K657 WeakPolarHBondContact OG-CA 3.36Å; S652-K657 WeakPolarHBondContact OG-CB 3.43Å; S652-K657 PolarHBondContact OG-N 2.95Å; S652-K657 VanDerWaalsContact OG-N 3.12Å; S652-K657 PolarHBondContact OG-O 3.31Å
653	G	85.2	Confident	86.2	Confident	28 Å²	28	70.3 Å²	70.3	29%	0.289	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	67.6	-111.7	178.6	0	0	0	0	0	112.2	R649 G650 S655 R659	R649-G653 WeakPolarHBondContact CB-O 3.34Å; R649-G653 WeakPolarHBondContact CG-O 3.45Å; G650-G653 PolarHBondContact O-N 3.46Å; G653-S655 VanDerWaalsContact C-N 3.29Å; G653-S655 PolarHBondContact O-N 2.96Å; G653-R659 PolarHBondContact O-NH2 3.04Å
654	T	82.7	Confident	87.4	Confident	89 Å²	89	61.4 Å²	61.4	55%	0.546	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.2	-178	54.7	0	0	0	0	113.9	S652 R659	S652-T654 PolarHBondContact O-N 3.23Å; T654-R659 VanDerWaalsContact O-CZ 3.31Å; T654-R659 PolarHBondContact O-NH2 2.89Å
655	S	87.5	Confident	87.9	Confident	44 Å²	44	63.6 Å²	63.6	31%	0.308	35%	0.348	S	S	.	.	S	Bend	trans	-84.5	162.4	175.8	-172.8	0	0	0	0	111.8	S652 G653 K657 R659	S652-S655 PolarHBondContact O-N 2.98Å; S652-S655 WeakPolarHBondContact OG-CB 3.49Å; S652-S655 PolarHBondContact OG-O 2.78Å; G653-S655 VanDerWaalsContact C-N 3.29Å; G653-S655 PolarHBondContact O-N 2.96Å; S655-K657 PolarHBondContact O-N 3Å; S655-R659 PolarHBondContact O-NE 3.29Å
656	L	88.4	Confident	88.1	Confident	41 Å²	41	61 Å²	61	22%	0.215	34%	0.342	C	S	.	.	S	Bend	trans	-64.4	-20.5	-176.4	-72.7	170.6	0	0	0	113.8	G658 R659 V680 T683 L701	L656-G658 PolarHBondContact O-N 3.05Å; L656-R659 PolarHBondContact O-N 3.15Å; L656-R659 VanDerWaalsContact O-N 3.16Å; L656-V680 HydrophobicContact CB-CB 4.42Å; L656-V680 HydrophobicContact CB-CG1 4.36Å; L656-V680 HydrophobicContact CB-CG2 4.49Å; L656-T683 HydrophobicContact CB-CG2 4.15Å; L656-L701 HydrophobicContact CD1-CD1 4.29Å
657	K	92.1	Very high	88.2	Confident	69 Å²	69	57.7 Å²	57.7	30%	0.3	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-68.9	122.9	-172	-36	174.1	-160.7	175.2	0	110.2	G650 W651 S652 S655 R659 V680 T683	G650-K657 WeakPolarHBondContact CA-O 3.39Å; W651-K657 HydrophobicContact CZ2-CB 4.39Å; W651-K657 PolarHBondContact N-O 3.18Å; S652-K657 PolarHBondContact N-O 3.01Å; S652-K657 WeakPolarHBondContact OG-CA 3.36Å; S652-K657 WeakPolarHBondContact OG-CB 3.43Å; S652-K657 PolarHBondContact OG-N 2.95Å; S652-K657 VanDerWaalsContact OG-N 3.12Å; S652-K657 PolarHBondContact OG-O 3.31Å; S655-K657 PolarHBondContact O-N 3Å; K657-R659 VanDerWaalsContact C-N 3.33Å; K657-V680 CarbonylContact C-O 3.27Å; K657-V680 WeakPolarHBondContact CA-O 3.24Å; K657-T683 WeakPolarHBondContact CE-O 3.47Å; K657-T683 WeakPolarHBondContact CE-OG1 3.44Å; K657-T683 HydrophobicContact CG-CG2 4.44Å; K657-T683 WeakPolarHBondContact CG-OG1 3.36Å
658	G	91.2	Very high	87.9	Confident	12 Å²	12	52.1 Å²	52.1	12%	0.124	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	8.2	-179	0	0	0	0	0	115.9	G650 L656 V680	G650-G658 VanDerWaalsContact CA-C 3.41Å; G650-G658 VanDerWaalsContact CA-O 3.27Å; G650-G658 WeakPolarHBondContact CA-O 3.43Å; L656-G658 PolarHBondContact O-N 3.05Å; G658-V680 PolarHBondContact N-O 2.69Å
659	R	90.8	Very high	87.8	Confident	28 Å²	28	54.3 Å²	54.3	11%	0.106	31%	0.311	C	S	.	.			trans	-78.3	139	173.4	-67.8	-172.3	-177.9	-164	-21.1	110.4	G653 T654 S655 L656 K657 L661 I679	G653-R659 PolarHBondContact O-NH2 3.04Å; T654-R659 VanDerWaalsContact O-CZ 3.31Å; T654-R659 PolarHBondContact O-NH2 2.89Å; S655-R659 PolarHBondContact O-NE 3.29Å; L656-R659 PolarHBondContact O-N 3.15Å; L656-R659 VanDerWaalsContact O-N 3.16Å; K657-R659 VanDerWaalsContact C-N 3.33Å; R659-L661 HydrophobicContact CB-CD2 4.18Å; R659-L661 HydrophobicContact CB-CG 4.45Å; R659-I679 WeakPolarHBondContact O-CA 3.32Å
660	I	90.8	Very high	87.4	Confident	89 Å²	89	55.2 Å²	55.2	46%	0.456	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.4	166.9	-54	174.4	0	0	0	106.3	K677 I679	I660-K677 HydrophobicContact CG2-CB 4.21Å; I660-K677 HydrophobicContact CG2-CD 4.04Å; I660-K677 HydrophobicContact CG2-CG 4.35Å; I660-I679 HydrophobicContact CG1-CD1 4.03Å; I660-I679 HydrophobicContact CG1-CG1 4.09Å
661	L	90.5	Very high	86.8	Confident	47 Å²	47	64.5 Å²	64.5	25%	0.246	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	163	175.6	-53.9	173.2	0	0	0	108.5	R659 T678 V680 L726	R659-L661 HydrophobicContact CB-CD2 4.18Å; R659-L661 HydrophobicContact CB-CG 4.45Å; L661-T678 WeakPolarHBondContact CA-O 3.42Å; L661-T678 WeakPolarHBondContact CB-O 3.28Å; L661-T678 PolarHBondContact N-O 3.25Å; L661-T678 PolarHBondContact O-N 3.28Å; L661-V680 HydrophobicContact CD1-CG2 3.99Å; L661-L726 HydrophobicContact CD1-CD1 3.89Å; L661-L726 HydrophobicContact CD1-CD2 3.79Å; L661-L726 HydrophobicContact CD1-CG 4.45Å
662	G	89.1	Confident	86.2	Confident	44 Å²	44	64.4 Å²	64.4	45%	0.454	37%	0.372	S	S	.	.			trans	-66.3	-168.9	176.8	0	0	0	0	0	114.2	T678	G662-T678 PolarHBondContact O-N 2.83Å; G662-T678 PolarHBondContact O-OG1 3.25Å
663	P	92.5	Very high	85.8	Confident	42 Å²	42	62.7 Å²	62.7	27%	0.273	36%	0.359	S	S	.	.			trans	-62.4	147.9	-178.7	25.1	-33.5	0	0	0	111.4	A668 G673 F676	P663-A668 HydrophobicContact CG-CB 4.36Å; P663-G673 WeakPolarHBondContact CB-O 3.26Å; P663-F676 WeakPolarHBondContact CA-O 3.43Å; P663-F676 HydrophobicContact CB-CB 4.4Å
664	P	92.7	Very high	85.7	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.019	38%	0.381	C	S	.	.			trans	-60.8	143.4	170.8	29.5	-35	0	0	0	108.9	C666 L667 A668 V705 A734	P664-C666 PolarHBondContact O-N 3.42Å; P664-L667 HydrophobicContact CG-CB 3.99Å; P664-L667 HydrophobicContact CG-CD1 3.66Å; P664-L667 HydrophobicContact CG-CG 3.84Å; P664-L667 PolarHBondContact O-N 2.89Å; P664-A668 PolarHBondContact O-N 3.49Å; P664-A668 VanDerWaalsContact O-N 3.16Å; P664-V705 HydrophobicContact CG-CG1 4.02Å; P664-V705 HydrophobicContact CG-CG2 4.4Å; P664-A734 HydrophobicContact CB-CB 4.42Å; P664-A734 HydrophobicContact CG-CB 3.98Å
665	E	87.5	Confident	86	Confident	102 Å²	102	67 Å²	67	48%	0.477	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.4	-174.7	-165.8	179.5	163.2	0	0	113.2	R727	E665-R727 IonicContact OE1-CZ 2.75Å; E665-R727 IonicContact OE1-NE 2.77Å; E665-R727 IonicContact OE1-NH1 3.12Å; E665-R727 PolarHBondContact OE1-NH1 3.23Å; E665-R727 IonicContact OE1-NH2 3.63Å; E665-R727 PolarHBondContact OE1-NH2 2.84Å; E665-R727 WeakPolarHBondContact OE2-CD 3.45Å; E665-R727 IonicContact OE2-CZ 2.91Å; E665-R727 IonicContact OE2-NE 3.38Å; E665-R727 PolarHBondContact OE2-NE 3.45Å; E665-R727 IonicContact OE2-NH1 3.39Å; E665-R727 PolarHBondContact OE2-NH1 3.07Å; E665-R727 IonicContact OE2-NH2 2.61Å; E665-R727 PolarHBondContact OE2-NH2 3.48Å
666	C	86.9	Confident	86.3	Confident	56 Å²	56	65.6 Å²	65.6	38%	0.378	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-21.8	176.2	59.4	0	0	0	0	114.8	P664 A734	P664-C666 PolarHBondContact O-N 3.42Å; C666-A734 VanDerWaalsContact SG-CB 3.57Å
667	L	85.4	Confident	86.6	Confident	17 Å²	17	68.8 Å²	68.8	9%	0.089	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-9.5	177.8	-60.5	177.8	0	0	0	112.3	P664 N669 E670 G673 F676 A734 L737	P664-L667 HydrophobicContact CG-CB 3.99Å; P664-L667 HydrophobicContact CG-CD1 3.66Å; P664-L667 HydrophobicContact CG-CG 3.84Å; P664-L667 PolarHBondContact O-N 2.89Å; L667-N669 PolarHBondContact O-N 2.89Å; L667-N669 VanDerWaalsContact O-N 3.1Å; L667-E670 VanDerWaalsContact CD2-OE2 3.31Å; L667-E670 WeakPolarHBondContact CD2-OE2 3.24Å; L667-E670 PolarHBondContact O-N 3.27Å; L667-G673 WeakPolarHBondContact O-CA 3.44Å; L667-F676 HydrophobicContact CD1-CB 4.37Å; L667-F676 HydrophobicContact CD1-CD1 4.06Å; L667-F676 HydrophobicContact CD1-CD2 3.93Å; L667-F676 HydrophobicContact CD1-CE1 4.31Å; L667-F676 HydrophobicContact CD1-CE2 4.19Å; L667-F676 HydrophobicContact CD1-CG 3.85Å; L667-F676 HydrophobicContact CD1-CZ 4.37Å; L667-A734 HydrophobicContact CD1-CB 3.96Å; L667-A734 HydrophobicContact CG-CB 4.21Å; L667-L737 HydrophobicContact CD1-CD1 4.25Å
668	A	77.8	Confident	86.8	Confident	40 Å²	40	65.7 Å²	65.7	33%	0.331	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.3	-171.9	0	0	0	0	0	114.4	P663 P664	P663-A668 HydrophobicContact CG-CB 4.36Å; P664-A668 PolarHBondContact O-N 3.49Å; P664-A668 VanDerWaalsContact O-N 3.16Å
669	N	79.2	Confident	87	Confident	164 Å²	164	65.2 Å²	65.2	88%	0.877	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.5	-179.7	-62.9	-5.6	0	0	0	113.3	L667	L667-N669 PolarHBondContact O-N 2.89Å; L667-N669 VanDerWaalsContact O-N 3.1Å
670	E	79.9	Confident	87.2	Confident	114 Å²	114	63.9 Å²	63.9	53%	0.533	35%	0.352	S	S	.	.	S	Bend	trans	-84.2	150.1	178.7	-63.9	-175.8	176.9	0	0	110.5	L667 S672 G673	L667-E670 VanDerWaalsContact CD2-OE2 3.31Å; L667-E670 WeakPolarHBondContact CD2-OE2 3.24Å; L667-E670 PolarHBondContact O-N 3.27Å; E670-S672 PolarHBondContact O-N 3.49Å; E670-S672 VanDerWaalsContact O-N 3.08Å; E670-G673 WeakPolarHBondContact O-CA 3.24Å; E670-G673 PolarHBondContact O-N 3.49Å
671	E	75.9	Confident	87.4	Confident	207 Å²	207	59.7 Å²	59.7	97%	0.967	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.7	-175.2	-65.2	-178.6	169.7	0	0	113.7
672	S	76.5	Confident	87.6	Confident	80 Å²	80	58.1 Å²	58.1	56%	0.559	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	8.8	176.8	-62.1	0	0	0	0	113.6	E670 D674 T675	E670-S672 PolarHBondContact O-N 3.49Å; E670-S672 VanDerWaalsContact O-N 3.08Å; S672-D674 PolarHBondContact O-N 2.87Å; S672-T675 PolarHBondContact O-N 3.39Å; S672-T675 PolarHBondContact O-OG1 2.91Å
673	G	79	Confident	87.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59	-43	-172.6	0	0	0	0	0	114	P663 L667 E670 T675 F676	P663-G673 WeakPolarHBondContact CB-O 3.26Å; L667-G673 WeakPolarHBondContact O-CA 3.44Å; E670-G673 WeakPolarHBondContact O-CA 3.24Å; E670-G673 PolarHBondContact O-N 3.49Å; G673-T675 PolarHBondContact O-N 3.21Å; G673-T675 VanDerWaalsContact O-N 3.11Å; G673-F676 WeakPolarHBondContact O-CB 3.29Å; G673-F676 PolarHBondContact O-N 3.02Å
674	D	82.9	Confident	87.8	Confident	138 Å²	138	59.7 Å²	59.7	74%	0.738	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.4	-174.7	-74	-17.6	0	0	0	114.3	S672 F676	S672-D674 PolarHBondContact O-N 2.87Å; D674-F676 VanDerWaalsContact C-N 3.27Å; D674-F676 PolarHBondContact O-N 3.49Å
675	T	89.3	Confident	87.8	Confident	69 Å²	69	62.6 Å²	62.6	42%	0.423	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-71.3	-26	176.1	65.6	0	0	0	0	112.1	S672 G673	S672-T675 PolarHBondContact O-N 3.39Å; S672-T675 PolarHBondContact O-OG1 2.91Å; G673-T675 PolarHBondContact O-N 3.21Å; G673-T675 VanDerWaalsContact O-N 3.11Å
676	F	94.3	Very high	87.9	Confident	15 Å²	15	60.2 Å²	60.2	7%	0.066	33%	0.327	C	S	.	.			trans	-77.5	130.8	-177.4	-73.4	-86.6	0	0	0	111.6	P663 L667 G673 D674 V705 G706 N707 L711 L737	P663-F676 WeakPolarHBondContact CA-O 3.43Å; P663-F676 HydrophobicContact CB-CB 4.4Å; L667-F676 HydrophobicContact CD1-CB 4.37Å; L667-F676 HydrophobicContact CD1-CD1 4.06Å; L667-F676 HydrophobicContact CD1-CD2 3.93Å; L667-F676 HydrophobicContact CD1-CE1 4.31Å; L667-F676 HydrophobicContact CD1-CE2 4.19Å; L667-F676 HydrophobicContact CD1-CG 3.85Å; L667-F676 HydrophobicContact CD1-CZ 4.37Å; G673-F676 WeakPolarHBondContact O-CB 3.29Å; G673-F676 PolarHBondContact O-N 3.02Å; D674-F676 VanDerWaalsContact C-N 3.27Å; D674-F676 PolarHBondContact O-N 3.49Å; F676-V705 HydrophobicContact CB-CG1 4.38Å; F676-V705 HydrophobicContact CD1-CG1 3.88Å; F676-G706 WeakPolarHBondContact CA-O 3.42Å; F676-N707 HydrophobicContact CD1-CB 3.95Å; F676-N707 HydrophobicContact CD2-CB 4.5Å; F676-N707 HydrophobicContact CE1-CB 3.83Å; F676-N707 HydrophobicContact CE2-CB 4.39Å; F676-N707 HydrophobicContact CG-CB 4.3Å; F676-N707 HydrophobicContact CZ-CB 4.07Å; F676-L711 HydrophobicContact CE1-CB 4.46Å; F676-L711 HydrophobicContact CZ-CD1 4.41Å; F676-L737 HydrophobicContact CD1-CD1 4.39Å; F676-L737 HydrophobicContact CE1-CD1 3.57Å; F676-L737 HydrophobicContact CE1-CD2 4.05Å; F676-L737 HydrophobicContact CE1-CG 4.48Å; F676-L737 HydrophobicContact CZ-CD1 3.97Å
677	K	94.1	Very high	88.1	Confident	108 Å²	108	65.5 Å²	65.5	47%	0.47	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.7	174.6	-66.7	172.5	-174.8	171	0	109.6	I660 V705 G706 L784	I660-K677 HydrophobicContact CG2-CB 4.21Å; I660-K677 HydrophobicContact CG2-CD 4.04Å; I660-K677 HydrophobicContact CG2-CG 4.35Å; K677-V705 WeakPolarHBondContact O-CA 3.38Å; K677-G706 PolarHBondContact N-O 2.83Å; K677-G706 PolarHBondContact O-N 3.11Å; K677-G706 VanDerWaalsContact O-N 3.11Å; K677-L784 HydrophobicContact CB-CD2 3.68Å; K677-L784 WeakPolarHBondContact O-CD2 3.27Å
678	T	95.9	Very high	88	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.025	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.8	177.4	-51.2	0	0	0	0	109.8	L661 G662 A703 V704 V705	L661-T678 WeakPolarHBondContact CA-O 3.42Å; L661-T678 WeakPolarHBondContact CB-O 3.28Å; L661-T678 PolarHBondContact N-O 3.25Å; L661-T678 PolarHBondContact O-N 3.28Å; G662-T678 PolarHBondContact O-N 2.83Å; G662-T678 PolarHBondContact O-OG1 3.25Å; T678-A703 HydrophobicContact CG2-CB 4.25Å; T678-V704 CarbonylContact C-O 3.59Å; T678-V704 WeakPolarHBondContact CA-O 3.18Å; T678-V705 HydrophobicContact CG2-CG2 3.94Å
679	I	95.7	Very high	88.5	Confident	3 Å²	3	73 Å²	73	2%	0.015	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.2	171.5	-59.7	174.9	0	0	0	110	R659 I660 L681 A703 V704 A780 L784	R659-I679 WeakPolarHBondContact O-CA 3.32Å; I660-I679 HydrophobicContact CG1-CD1 4.03Å; I660-I679 HydrophobicContact CG1-CG1 4.09Å; I679-L681 HydrophobicContact CG2-CD2 4.45Å; I679-A703 WeakPolarHBondContact O-CA 3.43Å; I679-V704 PolarHBondContact N-O 2.81Å; I679-V704 PolarHBondContact O-N 3.42Å; I679-A780 HydrophobicContact CD1-CB 4.17Å; I679-A780 HydrophobicContact CG2-CB 4.12Å; I679-L784 HydrophobicContact CB-CD1 3.92Å; I679-L784 HydrophobicContact CD1-CD1 3.93Å; I679-L784 HydrophobicContact CD1-CD2 4.01Å; I679-L784 HydrophobicContact CD1-CG 3.76Å; I679-L784 HydrophobicContact CG1-CD1 3.88Å; I679-L784 HydrophobicContact CG1-CD2 4.15Å; I679-L784 HydrophobicContact CG1-CG 4.15Å
680	V	95.8	Very high	88.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.3	174.4	-178.3	0	0	0	0	109.5	L656 K657 G658 L661 T683 L701 L726	L656-V680 HydrophobicContact CB-CB 4.42Å; L656-V680 HydrophobicContact CB-CG1 4.36Å; L656-V680 HydrophobicContact CB-CG2 4.49Å; K657-V680 CarbonylContact C-O 3.27Å; K657-V680 WeakPolarHBondContact CA-O 3.24Å; G658-V680 PolarHBondContact N-O 2.69Å; L661-V680 HydrophobicContact CD1-CG2 3.99Å; V680-T683 HydrophobicContact CG1-CG2 3.67Å; V680-L701 HydrophobicContact CB-CD2 4.48Å; V680-L701 HydrophobicContact CG1-CD1 4.17Å; V680-L701 HydrophobicContact CG1-CD2 3.73Å; V680-L701 HydrophobicContact CG1-CG 3.76Å; V680-L701 HydrophobicContact CG2-CD2 4.07Å; V680-L726 HydrophobicContact CG2-CD1 3.53Å
681	L	95.2	Very high	88.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-41.6	179	-63.9	-176.6	0	0	0	112.1	W651 I679 L702 V704 A780 I781 Y801 A805	W651-L681 HydrophobicContact CH2-CD2 3.94Å; I679-L681 HydrophobicContact CG2-CD2 4.45Å; L681-L702 HydrophobicContact CB-CD2 3.99Å; L681-L702 HydrophobicContact CB-CG 4.23Å; L681-L702 HydrophobicContact CD1-CD2 4.03Å; L681-L702 HydrophobicContact CD1-CG 4.41Å; L681-L702 PolarHBondContact N-O 3.35Å; L681-V704 HydrophobicContact CD1-CG2 3.49Å; L681-V704 VanDerWaalsContact CD1-CG2 3.49Å; L681-V704 HydrophobicContact CD2-CG2 4.43Å; L681-V704 HydrophobicContact CG-CG2 3.74Å; L681-A780 HydrophobicContact CD2-CB 3.98Å; L681-I781 HydrophobicContact CD1-CD1 4.03Å; L681-I781 HydrophobicContact CD1-CG1 4.17Å; L681-Y801 HydrophobicContact CB-CD1 4.21Å; L681-A805 HydrophobicContact CD1-CB 4.15Å
682	E	93.9	Very high	88.4	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.065	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.6	-174	179.4	163.9	-122.2	0	0	112.9	K684 L701 L702 Y801	E682-K684 HydrophobicContact CG-CD 4.17Å; E682-K684 HydrophobicContact CG-CG 4.04Å; E682-K684 WeakPolarHBondContact OE1-CD 3.33Å; E682-K684 WeakPolarHBondContact OE1-CE 3.48Å; E682-K684 IonicContact OE1-NZ 3.25Å; E682-K684 PolarHBondContact OE1-NZ 2.99Å; E682-K684 IonicContact OE2-NZ 3.58Å; E682-K684 PolarHBondContact OE2-NZ 3.23Å; E682-L701 WeakPolarHBondContact O-CA 3.31Å; E682-L702 HydrophobicContact CB-CB 4.14Å; E682-L702 PolarHBondContact N-O 3.17Å; E682-L702 PolarHBondContact O-N 2.92Å; E682-Y801 HydrophobicContact CB-CD2 4.35Å; E682-Y801 HydrophobicContact CB-CG 4.31Å
683	T	93.3	Very high	88.3	Confident	26 Å²	26	71.3 Å²	71.3	16%	0.16	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125	167.5	57.2	0	0	0	0	110	L656 K657 V680 S700 L701	L656-T683 HydrophobicContact CB-CG2 4.15Å; K657-T683 WeakPolarHBondContact CE-O 3.47Å; K657-T683 WeakPolarHBondContact CE-OG1 3.44Å; K657-T683 HydrophobicContact CG-CG2 4.44Å; K657-T683 WeakPolarHBondContact CG-OG1 3.36Å; V680-T683 HydrophobicContact CG1-CG2 3.67Å; T683-S700 WeakPolarHBondContact CA-O 3.4Å; T683-L701 HydrophobicContact CG2-CD1 3.85Å; T683-L701 HydrophobicContact CG2-CG 3.94Å
684	K	92.4	Very high	88.6	Confident	94 Å²	94	72.4 Å²	72.4	41%	0.409	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.9	179.4	-78.5	171.8	165.1	147.3	0	110.4	E682 I699 S700	E682-K684 HydrophobicContact CG-CD 4.17Å; E682-K684 HydrophobicContact CG-CG 4.04Å; E682-K684 WeakPolarHBondContact OE1-CD 3.33Å; E682-K684 WeakPolarHBondContact OE1-CE 3.48Å; E682-K684 IonicContact OE1-NZ 3.25Å; E682-K684 PolarHBondContact OE1-NZ 2.99Å; E682-K684 IonicContact OE2-NZ 3.58Å; E682-K684 PolarHBondContact OE2-NZ 3.23Å; K684-I699 WeakPolarHBondContact O-CA 3.35Å; K684-S700 PolarHBondContact N-O 2.84Å; K684-S700 WeakPolarHBondContact O-CB 3.49Å; K684-S700 PolarHBondContact O-N 3.29Å
685	S	92.2	Very high	88.7	Confident	64 Å²	64	71.1 Å²	71.1	45%	0.448	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.3	167.9	170.2	0	0	0	0	108.5	K697	S685-K697 WeakPolarHBondContact OG-CE 3.29Å
686	V	90.6	Very high	88.4	Confident	51 Å²	51	69 Å²	69	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.8	177.9	-176.7	0	0	0	0	108.3	R698	V686-R698 PolarHBondContact N-O 3.01Å; V686-R698 PolarHBondContact O-N 2.9Å
687	R	91	Very high	88.1	Confident	168 Å²	168	73.9 Å²	73.9	63%	0.634	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	139.7	174.9	-59.2	178.5	-174.4	149	-0.8	108	L695 V696 K697	R687-L695 HydrophobicContact CB-CD1 3.92Å; R687-L695 HydrophobicContact CB-CG 4.23Å; R687-V696 WeakPolarHBondContact CA-O 3.38Å; R687-K697 HydrophobicContact CG-CB 4.36Å; R687-K697 HydrophobicContact CG-CG 4.34Å
688	H	83.5	Confident	88.1	Confident	72 Å²	72	73.9 Å²	73.9	33%	0.333	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.1	174.8	72	-50.2	0	0	0	109.4	T690 V696	H688-T690 WeakPolarHBondContact NE2-CG2 3.3Å; H688-V696 PolarHBondContact N-O 3.45Å; H688-V696 VanDerWaalsContact N-O 3.1Å; H688-V696 PolarHBondContact ND1-O 3.28Å; H688-V696 PolarHBondContact O-N 2.74Å
689	M	87.3	Confident	88	Confident	143 Å²	143	75.4 Å²	75.4	70%	0.704	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.4	179.1	-152.2	59.3	164.6	0	0	109.9	G694 L695	M689-G694 VanDerWaalsContact SD-C 3.52Å; M689-L695 HydrophobicContact SD-CB 3.89Å; M689-L695 HydrophobicContact SD-CD1 4.24Å; M689-L695 PolarHBondContact SD-N 3.41Å; M689-L695 VanDerWaalsContact SD-N 3.38Å
690	T	79.2	Confident	88	Confident	37 Å²	37	75.5 Å²	75.5	23%	0.227	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.7	173.7	60.4	0	0	0	0	109.1	H688 R692 L693 G694 V696	H688-T690 WeakPolarHBondContact NE2-CG2 3.3Å; T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.2Å; T690-L693 WeakPolarHBondContact OG1-CB 3.39Å; T690-L693 PolarHBondContact OG1-N 2.7Å; T690-G694 PolarHBondContact N-O 2.87Å; T690-G694 VanDerWaalsContact O-CA 3.3Å; T690-G694 WeakPolarHBondContact O-CA 3.44Å; T690-G694 PolarHBondContact O-N 3.08Å; T690-G694 PolarHBondContact OG1-N 2.97Å; T690-G694 PolarHBondContact OG1-O 3.4Å; T690-V696 HydrophobicContact CG2-CB 4.18Å; T690-V696 HydrophobicContact CG2-CG2 3.82Å; T690-V696 VanDerWaalsContact OG1-CG2 3.32Å; T690-V696 WeakPolarHBondContact OG1-CG2 3.24Å
691	A	75.2	Confident	88	Confident	119 Å²	119	75.5 Å²	75.5	98%	0.983	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-38.5	-175.7	0	0	0	0	0	113.2
692	R	80.2	Confident	88	Confident	237 Å²	237	75.6 Å²	75.6	89%	0.894	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-38.8	-174.8	-172.1	177.3	178.5	-177.8	1.1	114.7	T690	T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.2Å
693	L	74.3	Confident	88.2	Confident	136 Å²	136	75 Å²	75	71%	0.712	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-2.7	-173	-59	173.2	0	0	0	112.7	T690 V696	T690-L693 WeakPolarHBondContact OG1-CB 3.39Å; T690-L693 PolarHBondContact OG1-N 2.7Å; L693-V696 HydrophobicContact CB-CG2 3.72Å; L693-V696 HydrophobicContact CD1-CG2 4.17Å
694	G	84.5	Confident	88.3	Confident	22 Å²	22	73.8 Å²	73.8	23%	0.227	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.3	-138.3	-171.5	0	0	0	0	0	111.7	M689 T690 V696	M689-G694 VanDerWaalsContact SD-C 3.52Å; T690-G694 PolarHBondContact N-O 2.87Å; T690-G694 VanDerWaalsContact O-CA 3.3Å; T690-G694 WeakPolarHBondContact O-CA 3.44Å; T690-G694 PolarHBondContact O-N 3.08Å; T690-G694 PolarHBondContact OG1-N 2.97Å; T690-G694 PolarHBondContact OG1-O 3.4Å; G694-V696 PolarHBondContact O-N 2.91Å
695	L	84.4	Confident	88.6	Confident	112 Å²	112	69.3 Å²	69.3	59%	0.586	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	105	-174.3	-171.9	70.5	0	0	0	111.5	R687 M689	R687-L695 HydrophobicContact CB-CD1 3.92Å; R687-L695 HydrophobicContact CB-CG 4.23Å; M689-L695 HydrophobicContact SD-CB 3.89Å; M689-L695 HydrophobicContact SD-CD1 4.24Å; M689-L695 PolarHBondContact SD-N 3.41Å; M689-L695 VanDerWaalsContact SD-N 3.38Å
696	V	84.3	Confident	88.7	Confident	25 Å²	25	66.3 Å²	66.3	15%	0.152	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.3	-179.1	177.1	0	0	0	0	111	R687 H688 T690 L693 G694 R698	R687-V696 WeakPolarHBondContact CA-O 3.38Å; H688-V696 PolarHBondContact N-O 3.45Å; H688-V696 VanDerWaalsContact N-O 3.1Å; H688-V696 PolarHBondContact ND1-O 3.28Å; H688-V696 PolarHBondContact O-N 2.74Å; T690-V696 HydrophobicContact CG2-CB 4.18Å; T690-V696 HydrophobicContact CG2-CG2 3.82Å; T690-V696 VanDerWaalsContact OG1-CG2 3.32Å; T690-V696 WeakPolarHBondContact OG1-CG2 3.24Å; L693-V696 HydrophobicContact CB-CG2 3.72Å; L693-V696 HydrophobicContact CD1-CG2 4.17Å; G694-V696 PolarHBondContact O-N 2.91Å; V696-R698 HydrophobicContact CG1-CG 4.44Å
697	K	88.1	Confident	88.9	Confident	117 Å²	117	65.3 Å²	65.3	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.5	174.6	-173.6	-171.2	178.4	-169.1	0	111.1	S685 R687	S685-K697 WeakPolarHBondContact OG-CE 3.29Å; R687-K697 HydrophobicContact CG-CB 4.36Å; R687-K697 HydrophobicContact CG-CG 4.34Å
698	R	93.1	Very high	88.9	Confident	107 Å²	107	58.3 Å²	58.3	40%	0.404	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.2	170.3	-65.8	-175.5	176.9	-176.7	0.5	110.4	V686 V696 H719	V686-R698 PolarHBondContact N-O 3.01Å; V686-R698 PolarHBondContact O-N 2.9Å; V696-R698 HydrophobicContact CG1-CG 4.44Å; R698-H719 CarbonylContact C-O 3.56Å; R698-H719 WeakPolarHBondContact CA-O 3.42Å
699	I	94.1	Very high	89.4	Confident	36 Å²	36	59.9 Å²	59.9	19%	0.185	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	172.8	-61.2	177.1	0	0	0	107.8	K684 K718 H719 A725	K684-I699 WeakPolarHBondContact O-CA 3.35Å; I699-K718 CarbonylContact O-C 3.51Å; I699-K718 VanDerWaalsContact O-CA 3.24Å; I699-K718 WeakPolarHBondContact O-CA 3.46Å; I699-H719 PolarHBondContact N-O 3.44Å; I699-H719 PolarHBondContact O-N 3Å; I699-A725 HydrophobicContact CG2-CB 4.45Å
700	S	95	Very high	89.6	Confident	6 Å²	6	53 Å²	53	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.7	-175	162	0	0	0	0	107.1	T683 K684 F716	T683-S700 WeakPolarHBondContact CA-O 3.4Å; K684-S700 PolarHBondContact N-O 2.84Å; K684-S700 WeakPolarHBondContact O-CB 3.49Å; K684-S700 PolarHBondContact O-N 3.29Å; S700-F716 WeakPolarHBondContact OG-CE2 3.3Å; S700-F716 WeakPolarHBondContact OG-CZ 3.37Å
701	L	95.4	Very high	90.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.3	-169.5	-163.4	150.5	0	0	0	110.9	L656 V680 E682 T683 A703 F716 A717 A725 L726 A729	L656-L701 HydrophobicContact CD1-CD1 4.29Å; V680-L701 HydrophobicContact CB-CD2 4.48Å; V680-L701 HydrophobicContact CG1-CD1 4.17Å; V680-L701 HydrophobicContact CG1-CD2 3.73Å; V680-L701 HydrophobicContact CG1-CG 3.76Å; V680-L701 HydrophobicContact CG2-CD2 4.07Å; E682-L701 WeakPolarHBondContact O-CA 3.31Å; T683-L701 HydrophobicContact CG2-CD1 3.85Å; T683-L701 HydrophobicContact CG2-CG 3.94Å; L701-A703 HydrophobicContact CD2-CB 3.91Å; L701-F716 WeakPolarHBondContact O-CA 3.43Å; L701-F716 VanDerWaalsContact O-CD2 3.28Å; L701-F716 WeakPolarHBondContact O-CD2 3.12Å; L701-A717 PolarHBondContact N-O 3.46Å; L701-A717 PolarHBondContact O-N 2.78Å; L701-A725 HydrophobicContact CB-CB 4.3Å; L701-L726 HydrophobicContact CD1-CB 3.99Å; L701-L726 HydrophobicContact CD1-CD1 4.28Å; L701-L726 HydrophobicContact CD2-CD1 4.12Å; L701-A729 HydrophobicContact CD2-CB 3.65Å
702	L	96.9	Very high	91.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.3	174	178.4	67.2	0	0	0	108.9	L681 E682 F714 F716 Q802	L681-L702 HydrophobicContact CB-CD2 3.99Å; L681-L702 HydrophobicContact CB-CG 4.23Å; L681-L702 HydrophobicContact CD1-CD2 4.03Å; L681-L702 HydrophobicContact CD1-CG 4.41Å; L681-L702 PolarHBondContact N-O 3.35Å; E682-L702 HydrophobicContact CB-CB 4.14Å; E682-L702 PolarHBondContact N-O 3.17Å; E682-L702 PolarHBondContact O-N 2.92Å; L702-F714 HydrophobicContact CD1-CD2 4.05Å; L702-F716 HydrophobicContact CB-CD2 4.45Å; L702-F716 HydrophobicContact CD1-CB 4.14Å; L702-Q802 HydrophobicContact CD1-CG 4.48Å; L702-Q802 HydrophobicContact CD2-CG 4.01Å
703	A	96.8	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.1	179.5	0	0	0	0	0	110.9	T678 I679 L701 F714 A715 A729	T678-A703 HydrophobicContact CG2-CB 4.25Å; I679-A703 WeakPolarHBondContact O-CA 3.43Å; L701-A703 HydrophobicContact CD2-CB 3.91Å; A703-F714 VanDerWaalsContact O-CA 3.31Å; A703-F714 WeakPolarHBondContact O-CA 3.47Å; A703-A715 PolarHBondContact N-O 3.48Å; A703-A715 PolarHBondContact O-N 3.16Å; A703-A729 HydrophobicContact CB-CB 3.82Å
704	V	97.1	Very high	93.2	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.2	172.2	-172.2	0	0	0	0	107.1	T678 I679 L681 G713 F714 I781 L784 F809	T678-V704 CarbonylContact C-O 3.59Å; T678-V704 WeakPolarHBondContact CA-O 3.18Å; I679-V704 PolarHBondContact N-O 2.81Å; I679-V704 PolarHBondContact O-N 3.42Å; L681-V704 HydrophobicContact CD1-CG2 3.49Å; L681-V704 VanDerWaalsContact CD1-CG2 3.49Å; L681-V704 HydrophobicContact CD2-CG2 4.43Å; L681-V704 HydrophobicContact CG-CG2 3.74Å; V704-G713 CarbonylContact C-O 3.55Å; V704-G713 WeakPolarHBondContact CA-O 3.45Å; V704-F714 HydrophobicContact CB-CB 4.37Å; V704-F714 HydrophobicContact CG1-CB 4.36Å; V704-F714 HydrophobicContact CG2-CB 3.82Å; V704-I781 HydrophobicContact CG1-CG1 4.41Å; V704-I781 HydrophobicContact CG2-CG1 4.12Å; V704-L784 HydrophobicContact CB-CD1 3.7Å; V704-L784 HydrophobicContact CG1-CD1 3.56Å; V704-L784 WeakPolarHBondContact O-CD1 3.5Å; V704-F809 HydrophobicContact CG1-CE2 4.31Å; V704-F809 HydrophobicContact CG1-CZ 4.15Å
705	V	96.7	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.3	177	175	0	0	0	0	107.5	P664 F676 K677 T678 A712 G713 A733 L737	P664-V705 HydrophobicContact CG-CG1 4.02Å; P664-V705 HydrophobicContact CG-CG2 4.4Å; F676-V705 HydrophobicContact CB-CG1 4.38Å; F676-V705 HydrophobicContact CD1-CG1 3.88Å; K677-V705 WeakPolarHBondContact O-CA 3.38Å; T678-V705 HydrophobicContact CG2-CG2 3.94Å; V705-A712 CarbonylContact O-C 3.53Å; V705-A712 VanDerWaalsContact O-CA 3.25Å; V705-A712 WeakPolarHBondContact O-CA 3.16Å; V705-G713 PolarHBondContact N-O 2.91Å; V705-G713 PolarHBondContact O-N 3.02Å; V705-A733 HydrophobicContact CB-CB 4.17Å; V705-A733 HydrophobicContact CG2-CB 3.74Å; V705-L737 HydrophobicContact CG1-CD2 4.35Å
706	G	96	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	164.7	171.7	0	0	0	0	0	112.7	F676 K677 L711 L784	F676-G706 WeakPolarHBondContact CA-O 3.42Å; K677-G706 PolarHBondContact N-O 2.83Å; K677-G706 PolarHBondContact O-N 3.11Å; K677-G706 VanDerWaalsContact O-N 3.11Å; G706-L711 WeakPolarHBondContact CA-O 3.48Å; G706-L784 CarbonylContact C-O 3.52Å
707	N	93.9	Very high	94.9	Very high	30 Å²	30	28.9 Å²	28.9	16%	0.16	14%	0.142	C	C	.	.			trans	-103.5	-4.3	-175.2	67.9	-9.4	0	0	0	114	F676 N709 L711 L784	F676-N707 HydrophobicContact CD1-CB 3.95Å; F676-N707 HydrophobicContact CD2-CB 4.5Å; F676-N707 HydrophobicContact CE1-CB 3.83Å; F676-N707 HydrophobicContact CE2-CB 4.39Å; F676-N707 HydrophobicContact CG-CB 4.3Å; F676-N707 HydrophobicContact CZ-CB 4.07Å; N707-N709 VanDerWaalsContact C-N 3.26Å; N707-N709 PolarHBondContact O-N 3.36Å; N707-N709 PolarHBondContact OD1-N 3.43Å; N707-L711 PolarHBondContact N-O 3.45Å; N707-L711 VanDerWaalsContact N-O 3.13Å; N707-L711 PolarHBondContact OD1-N 3Å; N707-L711 PolarHBondContact OD1-O 3.2Å; N707-L784 PolarHBondContact N-O 3.13Å
708	G	92.2	Very high	95.2	Very high	21 Å²	21	28 Å²	28	22%	0.216	14%	0.138	C	C	.	.	S	Bend	trans	78.4	3.2	-175.2	0	0	0	0	0	115	L784 G786	G708-L784 WeakPolarHBondContact CA-O 3.26Å; G708-L784 PolarHBondContact N-O 3.31Å; G708-G786 WeakPolarHBondContact O-CA 3.21Å
709	N	92.6	Very high	95.3	Very high	105 Å²	105	25.8 Å²	25.8	56%	0.561	13%	0.132	S	C	*	.	S	Bend	trans	-120.9	35	-178.6	-68.4	-10.6	0	0	0	111.7	N707 L711	N707-N709 VanDerWaalsContact C-N 3.26Å; N707-N709 PolarHBondContact O-N 3.36Å; N707-N709 PolarHBondContact OD1-N 3.43Å; N709-L711 PolarHBondContact O-N 2.98Å
710	G	92.3	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	91.3	-18.1	177.8	0	0	0	0	0	115.3	A712 V740 V785	G710-A712 PolarHBondContact O-N 3.35Å; G710-V740 PolarHBondContact O-N 3.28Å; G710-V785 WeakPolarHBondContact CA-O 3.19Å; G710-V785 PolarHBondContact N-O 2.91Å
711	L	94.5	Very high	94.8	Very high	59 Å²	59	31.2 Å²	31.2	31%	0.309	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	115.4	175	-68.7	172.2	0	0	0	110.3	F676 G706 N707 N709 Y739	F676-L711 HydrophobicContact CE1-CB 4.46Å; F676-L711 HydrophobicContact CZ-CD1 4.41Å; G706-L711 WeakPolarHBondContact CA-O 3.48Å; N707-L711 PolarHBondContact N-O 3.45Å; N707-L711 VanDerWaalsContact N-O 3.13Å; N707-L711 PolarHBondContact OD1-N 3Å; N707-L711 PolarHBondContact OD1-O 3.2Å; N709-L711 PolarHBondContact O-N 2.98Å; L711-Y739 HydrophobicContact CD2-CD2 3.97Å; L711-Y739 HydrophobicContact CD2-CG 4.4Å; L711-Y739 HydrophobicContact CG-CD2 4.19Å
712	A	96.4	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.6	174.3	0	0	0	0	0	112.3	V705 G710 K738 V785 F809	V705-A712 CarbonylContact O-C 3.53Å; V705-A712 VanDerWaalsContact O-CA 3.25Å; V705-A712 WeakPolarHBondContact O-CA 3.16Å; G710-A712 PolarHBondContact O-N 3.35Å; A712-K738 PolarHBondContact N-O 2.98Å; A712-K738 VanDerWaalsContact N-O 3.08Å; A712-K738 PolarHBondContact O-N 2.88Å; A712-V785 HydrophobicContact CB-CB 4.46Å; A712-V785 HydrophobicContact CB-CG2 3.58Å; A712-F809 HydrophobicContact CB-CE1 3.94Å; A712-F809 HydrophobicContact CB-CZ 3.97Å
713	G	96.4	Very high	94.2	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	149.4	-178.9	0	0	0	0	0	110.1	V704 V705 R736	V704-G713 CarbonylContact C-O 3.55Å; V704-G713 WeakPolarHBondContact CA-O 3.45Å; V705-G713 PolarHBondContact N-O 2.91Å; V705-G713 PolarHBondContact O-N 3.02Å; G713-R736 WeakPolarHBondContact CA-O 3.28Å
714	F	97	Very high	94	Very high	47 Å²	47	44.7 Å²	44.7	21%	0.206	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.7	178	76.6	-79.2	0	0	0	111.3	L702 A703 V704 A805 K806 F809	L702-F714 HydrophobicContact CD1-CD2 4.05Å; A703-F714 VanDerWaalsContact O-CA 3.31Å; A703-F714 WeakPolarHBondContact O-CA 3.47Å; V704-F714 HydrophobicContact CB-CB 4.37Å; V704-F714 HydrophobicContact CG1-CB 4.36Å; V704-F714 HydrophobicContact CG2-CB 3.82Å; F714-A805 HydrophobicContact CD2-CB 4.09Å; F714-A805 HydrophobicContact CE2-CB 4.22Å; F714-A805 HydrophobicContact CG-CB 4.45Å; F714-K806 HydrophobicContact CE2-CB 4.36Å; F714-K806 HydrophobicContact CZ-CB 3.95Å; F714-K806 HydrophobicContact CZ-CG 4.31Å; F714-F809 HydrophobicContact CB-CE2 4.02Å; F714-F809 HydrophobicContact CB-CZ 4.49Å; F714-F809 HydrophobicContact CD1-CB 4.17Å; F714-F809 HydrophobicContact CD1-CD1 4.17Å; F714-F809 AromaticContact CD1-CD2 3.16Å; F714-F809 HydrophobicContact CD1-CD2 3.16Å; F714-F809 HydrophobicContact CD1-CE1 4.37Å; F714-F809 AromaticContact CD1-CE2 3.42Å; F714-F809 HydrophobicContact CD1-CE2 3.42Å; F714-F809 VanDerWaalsContact CD1-CE2 3.42Å; F714-F809 AromaticContact CD1-CG 3.58Å; F714-F809 HydrophobicContact CD1-CG 3.58Å; F714-F809 HydrophobicContact CD1-CZ 4.03Å; F714-F809 HydrophobicContact CE1-CB 3.64Å; F714-F809 HydrophobicContact CE1-CD1 4.42Å; F714-F809 AromaticContact CE1-CD2 3.49Å; F714-F809 HydrophobicContact CE1-CD2 3.49Å; F714-F809 VanDerWaalsContact CE1-CD2 3.49Å; F714-F809 HydrophobicContact CE1-CE2 4.22Å; F714-F809 AromaticContact CE1-CG 3.6Å; F714-F809 HydrophobicContact CE1-CG 3.6Å; F714-F809 HydrophobicContact CG-CD2 4.04Å; F714-F809 AromaticContact CG-CE2 4Å; F714-F809 HydrophobicContact CG-CE2 4Å
715	A	97.5	Very high	93.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	156.5	176.7	0	0	0	0	0	112.2	A703 M732 A733	A703-A715 PolarHBondContact N-O 3.48Å; A703-A715 PolarHBondContact O-N 3.16Å; A715-M732 HydrophobicContact CB-CB 3.56Å; A715-A733 HydrophobicContact CB-CB 3.9Å; A715-A733 VanDerWaalsContact CB-N 3.33Å
716	F	94.5	Very high	93.8	Very high	66 Å²	66	46.4 Å²	46.4	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.5	179.8	171.1	-105.6	0	0	0	109.9	S700 L701 L702 K718	S700-F716 WeakPolarHBondContact OG-CE2 3.3Å; S700-F716 WeakPolarHBondContact OG-CZ 3.37Å; L701-F716 WeakPolarHBondContact O-CA 3.43Å; L701-F716 VanDerWaalsContact O-CD2 3.28Å; L701-F716 WeakPolarHBondContact O-CD2 3.12Å; L702-F716 HydrophobicContact CB-CD2 4.45Å; L702-F716 HydrophobicContact CD1-CB 4.14Å; F716-K718 HydrophobicContact CE1-CD 4.22Å; F716-K718 HydrophobicContact CE1-CG 3.91Å; F716-K718 HydrophobicContact CZ-CD 4.13Å; F716-K718 VanDerWaalsContact CZ-CE 3.4Å; F716-K718 HydrophobicContact CZ-CG 3.65Å
717	A	96.2	Very high	93.8	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.3	177.7	0	0	0	0	0	112.5	L701 K728 A729 M732	L701-A717 PolarHBondContact N-O 3.46Å; L701-A717 PolarHBondContact O-N 2.78Å; A717-K728 HydrophobicContact CB-CB 4.02Å; A717-K728 HydrophobicContact CB-CD 4.11Å; A717-K728 HydrophobicContact CB-CG 3.8Å; A717-A729 HydrophobicContact CB-CB 3.88Å; A717-M732 HydrophobicContact CB-SD 4.41Å
718	K	95.2	Very high	93.9	Very high	98 Å²	98	55.6 Å²	55.6	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.1	174.2	-62.8	177.8	179.9	171.2	0	110	I699 F716	I699-K718 CarbonylContact O-C 3.51Å; I699-K718 VanDerWaalsContact O-CA 3.24Å; I699-K718 WeakPolarHBondContact O-CA 3.46Å; F716-K718 HydrophobicContact CE1-CD 4.22Å; F716-K718 HydrophobicContact CE1-CG 3.91Å; F716-K718 HydrophobicContact CZ-CD 4.13Å; F716-K718 VanDerWaalsContact CZ-CE 3.4Å; F716-K718 HydrophobicContact CZ-CG 3.65Å
719	H	94.8	Very high	94.1	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.287	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167.3	172	-152.7	-82.2	0	0	0	111.2	R698 I699 L724 A725	R698-H719 CarbonylContact C-O 3.56Å; R698-H719 WeakPolarHBondContact CA-O 3.42Å; I699-H719 PolarHBondContact N-O 3.44Å; I699-H719 PolarHBondContact O-N 3Å; H719-L724 HydrophobicContact CB-CB 4.3Å; H719-L724 WeakPolarHBondContact CE1-CD1 3.33Å; H719-L724 WeakPolarHBondContact ND1-CB 3.46Å; H719-A725 HydrophobicContact CB-CB 3.76Å
720	T	89.5	Confident	94.2	Very high	89 Å²	89	50 Å²	50	55%	0.546	24%	0.241	S	C	.	.	S	Bend	trans	-68.2	-34.8	174.6	48.3	0	0	0	0	113.1
721	D	89.9	Confident	94.4	Very high	67 Å²	67	51.5 Å²	51.5	36%	0.358	25%	0.25	S	C	.	.	S	Bend	trans	-111.3	145	-179.6	-178	22	0	0	0	111	L724 A725	D721-L724 HydrophobicContact CB-CB 4.39Å; D721-L724 HydrophobicContact CB-CD1 4.25Å; D721-L724 HydrophobicContact CB-CG 4.33Å; D721-A725 VanDerWaalsContact O-CB 3.27Å; D721-A725 WeakPolarHBondContact O-CB 3.27Å; D721-A725 PolarHBondContact O-N 3.15Å
722	S	88.3	Confident	94.5	Very high	43 Å²	43	51.6 Å²	51.6	30%	0.301	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-39.9	179.3	54	0	0	0	0	113.1	A725 L726	S722-A725 PolarHBondContact O-N 3.38Å; S722-L726 WeakPolarHBondContact O-CB 3.3Å; S722-L726 PolarHBondContact O-N 3.33Å
723	K	90.8	Very high	94.5	Very high	161 Å²	161	51.6 Å²	51.6	70%	0.7	25%	0.249	S	C	*	.	H	α-helix	trans	-67.3	-45.8	-179.7	-68.3	-175.5	178.1	-176.1	0	110.6	L726 R727	K723-L726 WeakPolarHBondContact O-CB 3.45Å; K723-L726 PolarHBondContact O-N 3.12Å; K723-R727 PolarHBondContact O-N 2.91Å
724	L	92.9	Very high	94.3	Very high	80 Å²	80	52 Å²	52	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-37.5	175.9	-62.8	177.9	0	0	0	112.4	H719 D721 L726 K728	H719-L724 HydrophobicContact CB-CB 4.3Å; H719-L724 WeakPolarHBondContact CE1-CD1 3.33Å; H719-L724 WeakPolarHBondContact ND1-CB 3.46Å; D721-L724 HydrophobicContact CB-CB 4.39Å; D721-L724 HydrophobicContact CB-CD1 4.25Å; D721-L724 HydrophobicContact CB-CG 4.33Å; L724-L726 VanDerWaalsContact C-N 3.35Å; L724-K728 VanDerWaalsContact O-CB 3.28Å; L724-K728 WeakPolarHBondContact O-CB 3.42Å; L724-K728 PolarHBondContact O-N 2.91Å
725	A	94.8	Very high	94.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-41.2	173.6	0	0	0	0	0	111.9	I699 L701 H719 D721 S722 A729	I699-A725 HydrophobicContact CG2-CB 4.45Å; L701-A725 HydrophobicContact CB-CB 4.3Å; H719-A725 HydrophobicContact CB-CB 3.76Å; D721-A725 VanDerWaalsContact O-CB 3.27Å; D721-A725 WeakPolarHBondContact O-CB 3.27Å; D721-A725 PolarHBondContact O-N 3.15Å; S722-A725 PolarHBondContact O-N 3.38Å; A725-A729 VanDerWaalsContact O-CB 3.29Å; A725-A729 WeakPolarHBondContact O-CB 3.27Å; A725-A729 PolarHBondContact O-N 3.27Å
726	L	94.9	Very high	94.1	Very high	38 Å²	38	65.5 Å²	65.5	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-54.1	175.6	175.7	63.1	0	0	0	111	L661 V680 L701 S722 K723 L724 K728 A729 S730	L661-L726 HydrophobicContact CD1-CD1 3.89Å; L661-L726 HydrophobicContact CD1-CD2 3.79Å; L661-L726 HydrophobicContact CD1-CG 4.45Å; V680-L726 HydrophobicContact CG2-CD1 3.53Å; L701-L726 HydrophobicContact CD1-CB 3.99Å; L701-L726 HydrophobicContact CD1-CD1 4.28Å; L701-L726 HydrophobicContact CD2-CD1 4.12Å; S722-L726 WeakPolarHBondContact O-CB 3.3Å; S722-L726 PolarHBondContact O-N 3.33Å; K723-L726 WeakPolarHBondContact O-CB 3.45Å; K723-L726 PolarHBondContact O-N 3.12Å; L724-L726 VanDerWaalsContact C-N 3.35Å; L726-K728 VanDerWaalsContact C-N 3.27Å; L726-K728 PolarHBondContact O-N 3.26Å; L726-A729 PolarHBondContact O-N 3.42Å; L726-A729 VanDerWaalsContact O-N 3.12Å; L726-S730 WeakPolarHBondContact O-CB 3.46Å; L726-S730 PolarHBondContact O-N 2.92Å; L726-S730 PolarHBondContact O-OG 3.33Å; L726-S730 VanDerWaalsContact O-OG 3.11Å
727	R	94.3	Very high	94.1	Very high	121 Å²	121	64.6 Å²	64.6	46%	0.457	31%	0.305	S	S	.	.	H	α-helix	trans	-54.4	-44.7	177.8	-177	-178.6	177.5	154.4	12.4	111.6	E665 K723 S730 N731	E665-R727 IonicContact OE1-CZ 2.75Å; E665-R727 IonicContact OE1-NE 2.77Å; E665-R727 IonicContact OE1-NH1 3.12Å; E665-R727 PolarHBondContact OE1-NH1 3.23Å; E665-R727 IonicContact OE1-NH2 3.63Å; E665-R727 PolarHBondContact OE1-NH2 2.84Å; E665-R727 WeakPolarHBondContact OE2-CD 3.45Å; E665-R727 IonicContact OE2-CZ 2.91Å; E665-R727 IonicContact OE2-NE 3.38Å; E665-R727 PolarHBondContact OE2-NE 3.45Å; E665-R727 IonicContact OE2-NH1 3.39Å; E665-R727 PolarHBondContact OE2-NH1 3.07Å; E665-R727 IonicContact OE2-NH2 2.61Å; E665-R727 PolarHBondContact OE2-NH2 3.48Å; K723-R727 PolarHBondContact O-N 2.91Å; R727-S730 PolarHBondContact O-OG 2.89Å; R727-N731 VanDerWaalsContact O-CB 3.28Å; R727-N731 WeakPolarHBondContact O-CB 3.46Å; R727-N731 PolarHBondContact O-N 3.28Å; R727-N731 PolarHBondContact O-ND2 3.09Å; R727-N731 PolarHBondContact O-OD1 3.13Å
728	K	96.4	Very high	94	Very high	103 Å²	103	69.9 Å²	69.9	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-45.1	178	-171.3	172.7	-179.4	172.7	0	111.8	A717 L724 L726 M732	A717-K728 HydrophobicContact CB-CB 4.02Å; A717-K728 HydrophobicContact CB-CD 4.11Å; A717-K728 HydrophobicContact CB-CG 3.8Å; L724-K728 VanDerWaalsContact O-CB 3.28Å; L724-K728 WeakPolarHBondContact O-CB 3.42Å; L724-K728 PolarHBondContact O-N 2.91Å; L726-K728 VanDerWaalsContact C-N 3.27Å; L726-K728 PolarHBondContact O-N 3.26Å; K728-M732 HydrophobicContact CG-SD 4.12Å; K728-M732 WeakPolarHBondContact O-CB 3.37Å; K728-M732 WeakPolarHBondContact O-CG 3.39Å; K728-M732 PolarHBondContact O-N 3.46Å
729	A	96.8	Very high	94	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-44.9	180	0	0	0	0	0	112.2	L701 A703 A717 A725 L726 M732 A733	L701-A729 HydrophobicContact CD2-CB 3.65Å; A703-A729 HydrophobicContact CB-CB 3.82Å; A717-A729 HydrophobicContact CB-CB 3.88Å; A725-A729 VanDerWaalsContact O-CB 3.29Å; A725-A729 WeakPolarHBondContact O-CB 3.27Å; A725-A729 PolarHBondContact O-N 3.27Å; L726-A729 PolarHBondContact O-N 3.42Å; L726-A729 VanDerWaalsContact O-N 3.12Å; A729-M732 PolarHBondContact O-N 2.96Å; A729-A733 WeakPolarHBondContact O-CB 3.39Å; A729-A733 PolarHBondContact O-N 3.28Å
730	S	95.1	Very high	94	Very high	8 Å²	8	68.6 Å²	68.6	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-45.2	179.5	63.4	0	0	0	0	111.4	L726 R727 M732 A733 A734	L726-S730 WeakPolarHBondContact O-CB 3.46Å; L726-S730 PolarHBondContact O-N 2.92Å; L726-S730 PolarHBondContact O-OG 3.33Å; L726-S730 VanDerWaalsContact O-OG 3.11Å; R727-S730 PolarHBondContact O-OG 2.89Å; S730-M732 PolarHBondContact O-N 3.37Å; S730-A733 WeakPolarHBondContact O-CB 2.98Å; S730-A733 PolarHBondContact O-N 2.86Å; S730-A734 PolarHBondContact O-N 3.44Å
731	N	95.5	Very high	94.1	Very high	32 Å²	32	67.8 Å²	67.8	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-69.4	-36.4	180	-65.2	1.9	0	0	0	111.7	R727 A733 A734 K735	R727-N731 VanDerWaalsContact O-CB 3.28Å; R727-N731 WeakPolarHBondContact O-CB 3.46Å; R727-N731 PolarHBondContact O-N 3.28Å; R727-N731 PolarHBondContact O-ND2 3.09Å; R727-N731 PolarHBondContact O-OD1 3.13Å; N731-A733 VanDerWaalsContact C-N 3.32Å; N731-A734 PolarHBondContact O-N 3.31Å; N731-K735 WeakPolarHBondContact O-CG 3.31Å; N731-K735 PolarHBondContact O-N 2.87Å; N731-K735 VanDerWaalsContact O-N 3.09Å
732	M	96.8	Very high	94.2	Very high	60 Å²	60	65.9 Å²	65.9	30%	0.296	30%	0.296	S	S	.	.	H	α-helix	trans	-67.3	-33.4	172.7	-74.6	-177.8	70.9	0	0	112.5	A715 A717 K728 A729 S730 R736	A715-M732 HydrophobicContact CB-CB 3.56Å; A717-M732 HydrophobicContact CB-SD 4.41Å; K728-M732 HydrophobicContact CG-SD 4.12Å; K728-M732 WeakPolarHBondContact O-CB 3.37Å; K728-M732 WeakPolarHBondContact O-CG 3.39Å; K728-M732 PolarHBondContact O-N 3.46Å; A729-M732 PolarHBondContact O-N 2.96Å; S730-M732 PolarHBondContact O-N 3.37Å; M732-R736 WeakPolarHBondContact O-CG 3.42Å; M732-R736 PolarHBondContact O-N 3.07Å
733	A	96.6	Very high	94.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-41.1	176	0	0	0	0	0	111.1	V705 A715 A729 S730 N731 K735 R736 L737	V705-A733 HydrophobicContact CB-CB 4.17Å; V705-A733 HydrophobicContact CG2-CB 3.74Å; A715-A733 HydrophobicContact CB-CB 3.9Å; A715-A733 VanDerWaalsContact CB-N 3.33Å; A729-A733 WeakPolarHBondContact O-CB 3.39Å; A729-A733 PolarHBondContact O-N 3.28Å; S730-A733 WeakPolarHBondContact O-CB 2.98Å; S730-A733 PolarHBondContact O-N 2.86Å; N731-A733 VanDerWaalsContact C-N 3.32Å; A733-K735 VanDerWaalsContact C-N 3.33Å; A733-K735 PolarHBondContact O-N 2.79Å; A733-R736 CarbonylContact O-C 3.56Å; A733-R736 WeakPolarHBondContact O-CA 3.41Å; A733-R736 PolarHBondContact O-N 3.17Å; A733-L737 PolarHBondContact O-N 2.97Å
734	A	93.6	Very high	94.3	Very high	12 Å²	12	61.4 Å²	61.4	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-40.5	173.3	0	0	0	0	0	112.5	P664 C666 L667 S730 N731 R736 L737	P664-A734 HydrophobicContact CB-CB 4.42Å; P664-A734 HydrophobicContact CG-CB 3.98Å; C666-A734 VanDerWaalsContact SG-CB 3.57Å; L667-A734 HydrophobicContact CD1-CB 3.96Å; L667-A734 HydrophobicContact CG-CB 4.21Å; S730-A734 PolarHBondContact O-N 3.44Å; N731-A734 PolarHBondContact O-N 3.31Å; A734-R736 PolarHBondContact O-N 3.46Å; A734-L737 WeakPolarHBondContact O-CD1 3.47Å; A734-L737 VanDerWaalsContact O-CG 3.23Å; A734-L737 WeakPolarHBondContact O-CG 3.25Å; A734-L737 PolarHBondContact O-N 2.88Å
735	K	93.9	Very high	94.1	Very high	181 Å²	181	62.2 Å²	62.2	79%	0.787	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13	173.8	-71.8	-175.3	179.3	-165.7	0	114.3	N731 A733	N731-K735 WeakPolarHBondContact O-CG 3.31Å; N731-K735 PolarHBondContact O-N 2.87Å; N731-K735 VanDerWaalsContact O-N 3.09Å; A733-K735 VanDerWaalsContact C-N 3.33Å; A733-K735 PolarHBondContact O-N 2.79Å
736	R	95.1	Very high	94	Very high	149 Å²	149	62.8 Å²	62.8	56%	0.562	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	24	-176.8	-66.5	178.7	175.9	-165.4	-3.5	111.8	G713 M732 A733 A734 K738	G713-R736 WeakPolarHBondContact CA-O 3.28Å; M732-R736 WeakPolarHBondContact O-CG 3.42Å; M732-R736 PolarHBondContact O-N 3.07Å; A733-R736 CarbonylContact O-C 3.56Å; A733-R736 WeakPolarHBondContact O-CA 3.41Å; A733-R736 PolarHBondContact O-N 3.17Å; A734-R736 PolarHBondContact O-N 3.46Å; R736-K738 PolarHBondContact O-N 3.32Å
737	L	94.3	Very high	94	Very high	48 Å²	48	61.2 Å²	61.2	25%	0.251	27%	0.272	S	S	.	.			trans	-61	132.6	172.6	-71.8	169.9	0	0	0	109.3	L667 F676 V705 A733 A734	L667-L737 HydrophobicContact CD1-CD1 4.25Å; F676-L737 HydrophobicContact CD1-CD1 4.39Å; F676-L737 HydrophobicContact CE1-CD1 3.57Å; F676-L737 HydrophobicContact CE1-CD2 4.05Å; F676-L737 HydrophobicContact CE1-CG 4.48Å; F676-L737 HydrophobicContact CZ-CD1 3.97Å; V705-L737 HydrophobicContact CG1-CD2 4.35Å; A733-L737 PolarHBondContact O-N 2.97Å; A734-L737 WeakPolarHBondContact O-CD1 3.47Å; A734-L737 VanDerWaalsContact O-CG 3.23Å; A734-L737 WeakPolarHBondContact O-CG 3.25Å; A734-L737 PolarHBondContact O-N 2.88Å
738	K	94.4	Very high	93.9	Very high	116 Å²	116	55.5 Å²	55.5	50%	0.504	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.4	171.2	-68.4	-176.5	171.3	-169.2	0	108.2	A712 R736 L813	A712-K738 PolarHBondContact N-O 2.98Å; A712-K738 VanDerWaalsContact N-O 3.08Å; A712-K738 PolarHBondContact O-N 2.88Å; R736-K738 PolarHBondContact O-N 3.32Å; K738-L813 HydrophobicContact CB-CD2 3.84Å; K738-L813 HydrophobicContact CD-CD1 3.35Å; K738-L813 HydrophobicContact CD-CD2 3.83Å; K738-L813 HydrophobicContact CD-CG 4.25Å; K738-L813 HydrophobicContact CG-CD2 4.48Å
739	Y	95.5	Very high	93.6	Very high	131 Å²	131	52.7 Å²	52.7	51%	0.514	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.5	172.8	-174.7	-111.1	0	0	0	109.4	L711 E741	L711-Y739 HydrophobicContact CD2-CD2 3.97Å; L711-Y739 HydrophobicContact CD2-CG 4.4Å; L711-Y739 HydrophobicContact CG-CD2 4.19Å; Y739-E741 HydrophobicContact CD1-CG 4Å; Y739-E741 HydrophobicContact CE1-CG 3.59Å
740	V	93.9	Very high	93.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	24%	0.241	C	C	.	.			trans	-111	116.4	174.8	178.5	0	0	0	0	107.4	G710 V785 L812 L813	G710-V740 PolarHBondContact O-N 3.28Å; V740-V785 HydrophobicContact CB-CG1 3.97Å; V740-V785 HydrophobicContact CG1-CG1 4.05Å; V740-V785 HydrophobicContact CG2-CG1 4.43Å; V740-L812 HydrophobicContact CG1-CB 3.95Å; V740-L812 HydrophobicContact CG1-CD1 4.21Å; V740-L812 HydrophobicContact CG1-CD2 4.09Å; V740-L812 HydrophobicContact CG1-CG 4.32Å; V740-L812 HydrophobicContact CG2-CB 4.39Å; V740-L813 HydrophobicContact CG2-CD2 4.38Å
741	E	91.7	Very high	93.1	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	24%	0.241	S	C	.	.			trans	-69	137.7	174.9	-70.3	174	162.2	0	0	110.1	Y739 Y749 Q815 T817	Y739-E741 HydrophobicContact CD1-CG 4Å; Y739-E741 HydrophobicContact CE1-CG 3.59Å; E741-Y749 HydrophobicContact CB-CD2 4.4Å; E741-Y749 HydrophobicContact CB-CE2 3.95Å; E741-Q815 PolarHBondContact O-NE2 3.25Å; E741-T817 WeakPolarHBondContact OE2-CG2 3.12Å
742	R	93.6	Very high	92.9	Very high	26 Å²	26	52.5 Å²	52.5	10%	0.098	24%	0.235	C	C	.	.			trans	-125.5	128.5	-176.3	-64.8	171.7	-66.7	139.5	10.8	108.6	Q744 D745 T747 G786 I787	R742-Q744 PolarHBondContact O-N 3.26Å; R742-D745 IonicContact CZ-OD1 3.31Å; R742-D745 PolarHBondContact NH1-O 3.39Å; R742-D745 IonicContact NH1-OD1 3.54Å; R742-D745 IonicContact NH2-OD1 3.17Å; R742-D745 PolarHBondContact NH2-OD1 3.47Å; R742-D745 PolarHBondContact O-N 3.04Å; R742-T747 CarbonylContact C-O 3.22Å; R742-T747 WeakPolarHBondContact CA-O 3.36Å; R742-G786 WeakPolarHBondContact CD-O 3.27Å; R742-G786 PolarHBondContact NH1-O 3.48Å; R742-I787 HydrophobicContact CG-CG1 4.16Å
743	L	90.7	Very high	92.6	Very high	23 Å²	23	51.4 Å²	51.4	12%	0.12	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-68.2	120.5	174.9	178.4	64.2	0	0	0	108.5	D745 H746 T747 Y749	L743-D745 PolarHBondContact O-N 3.16Å; L743-H746 PolarHBondContact O-N 3Å; L743-T747 HydrophobicContact CB-CG2 4Å; L743-T747 HydrophobicContact CD2-CG2 4.02Å; L743-T747 HydrophobicContact CG-CG2 4.28Å; L743-T747 PolarHBondContact N-O 2.9Å; L743-T747 PolarHBondContact O-N 3.27Å; L743-Y749 HydrophobicContact CB-CD1 4.17Å; L743-Y749 HydrophobicContact CB-CD2 4.22Å; L743-Y749 HydrophobicContact CB-CE1 4.2Å; L743-Y749 HydrophobicContact CB-CE2 4.23Å; L743-Y749 HydrophobicContact CB-CG 4.19Å; L743-Y749 HydrophobicContact CD1-CD1 3.93Å; L743-Y749 HydrophobicContact CD1-CE1 3.6Å; L743-Y749 HydrophobicContact CG-CE1 4.49Å
744	Q	89	Confident	92.4	Very high	88 Å²	88	51.8 Å²	51.8	41%	0.411	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	29.7	179.4	-64	169.1	-13.6	0	0	112.8	R742 H746 R833	R742-Q744 PolarHBondContact O-N 3.26Å; Q744-H746 VanDerWaalsContact CB-CD2 3.44Å; Q744-H746 WeakPolarHBondContact CB-CD2 3.22Å; Q744-H746 PolarHBondContact O-CD2 3.5Å; Q744-H746 VanDerWaalsContact O-CD2 3.32Å; Q744-H746 PolarHBondContact O-N 3.37Å; Q744-H746 PolarHBondContact OE1-NE2 2.98Å; Q744-R833 VanDerWaalsContact NE2-NH2 3.16Å
745	D	90.3	Very high	92.2	Very high	97 Å²	97	55.8 Å²	55.8	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	9.8	-177.7	-70.2	-55	0	0	0	116.6	R742 L743	R742-D745 IonicContact CZ-OD1 3.31Å; R742-D745 PolarHBondContact NH1-O 3.39Å; R742-D745 IonicContact NH1-OD1 3.54Å; R742-D745 IonicContact NH2-OD1 3.17Å; R742-D745 PolarHBondContact NH2-OD1 3.47Å; R742-D745 PolarHBondContact O-N 3.04Å; L743-D745 PolarHBondContact O-N 3.16Å
746	H	92.2	Very high	92.1	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-30.6	-177.4	74.9	85.2	0	0	0	114.7	L743 Q744 E768 I787 R788 D789	L743-H746 PolarHBondContact O-N 3Å; Q744-H746 VanDerWaalsContact CB-CD2 3.44Å; Q744-H746 WeakPolarHBondContact CB-CD2 3.22Å; Q744-H746 PolarHBondContact O-CD2 3.5Å; Q744-H746 VanDerWaalsContact O-CD2 3.32Å; Q744-H746 PolarHBondContact O-N 3.37Å; Q744-H746 PolarHBondContact OE1-NE2 2.98Å; H746-E768 WeakPolarHBondContact CD2-CG 3.34Å; H746-E768 IonicContact CD2-OE1 3.93Å; H746-E768 PolarHBondContact CD2-OE1 3.43Å; H746-E768 VanDerWaalsContact CE1-CG 3.44Å; H746-E768 WeakPolarHBondContact CE1-CG 3.25Å; H746-E768 WeakPolarHBondContact NE2-CG 3.5Å; H746-E768 IonicContact NE2-OE1 3.65Å; H746-E768 PolarHBondContact NE2-OE1 3.18Å; H746-I787 WeakPolarHBondContact O-CG2 3.38Å; H746-R788 HydrophobicContact CB-CB 4.35Å; H746-R788 PolarHBondContact O-N 3.28Å; H746-D789 IonicContact CG-OD2 3.71Å; H746-D789 IonicContact ND1-OD2 3.2Å; H746-D789 PolarHBondContact O-N 3.43Å; H746-D789 VanDerWaalsContact O-N 3.14Å
747	T	94.1	Very high	92	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.025	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-135.4	-174.2	-175.3	-158.2	0	0	0	0	113.1	R742 L743 R765 M766 D789	R742-T747 CarbonylContact C-O 3.22Å; R742-T747 WeakPolarHBondContact CA-O 3.36Å; L743-T747 HydrophobicContact CB-CG2 4Å; L743-T747 HydrophobicContact CD2-CG2 4.02Å; L743-T747 HydrophobicContact CG-CG2 4.28Å; L743-T747 PolarHBondContact N-O 2.9Å; L743-T747 PolarHBondContact O-N 3.27Å; T747-R765 HydrophobicContact CG2-CB 4.33Å; T747-M766 PolarHBondContact OG1-N 2.91Å; T747-D789 WeakPolarHBondContact CB-O 3.07Å; T747-D789 PolarHBondContact OG1-O 2.88Å
748	I	93.1	Very high	91.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.234	C	C	.	.			trans	-94.5	158.5	179.1	61.4	178	0	0	0	111.4	Q750 F752 V763 R765 I787 L790 L812	I748-Q750 VanDerWaalsContact CD1-O 3.31Å; I748-Q750 WeakPolarHBondContact CD1-O 3.48Å; I748-F752 HydrophobicContact CD1-CD1 4.07Å; I748-F752 HydrophobicContact CD1-CE1 3.87Å; I748-V763 HydrophobicContact CD1-CB 4.4Å; I748-V763 HydrophobicContact CD1-CG1 3.54Å; I748-R765 HydrophobicContact CG1-CB 3.82Å; I748-I787 HydrophobicContact CG2-CD1 4.04Å; I748-L790 HydrophobicContact CD1-CD1 4.11Å; I748-L790 HydrophobicContact CG1-CD1 4.38Å; I748-L790 HydrophobicContact CG2-CD1 3.8Å; I748-L812 HydrophobicContact CG2-CD2 3.57Å
749	Y	90.1	Very high	91.6	Very high	44 Å²	44	45.1 Å²	45.1	17%	0.173	21%	0.21	C	C	.	.	S	Bend	trans	-76.1	-41.6	-178.7	-81.4	-87.7	0	0	0	114	E741 L743 R765 Q815 E816 T817 H818	E741-Y749 HydrophobicContact CB-CD2 4.4Å; E741-Y749 HydrophobicContact CB-CE2 3.95Å; L743-Y749 HydrophobicContact CB-CD1 4.17Å; L743-Y749 HydrophobicContact CB-CD2 4.22Å; L743-Y749 HydrophobicContact CB-CE1 4.2Å; L743-Y749 HydrophobicContact CB-CE2 4.23Å; L743-Y749 HydrophobicContact CB-CG 4.19Å; L743-Y749 HydrophobicContact CD1-CD1 3.93Å; L743-Y749 HydrophobicContact CD1-CE1 3.6Å; L743-Y749 HydrophobicContact CG-CE1 4.49Å; Y749-R765 PolarHBondContact O-NH1 3.37Å; Y749-Q815 VanDerWaalsContact N-OE1 3.1Å; Y749-E816 WeakPolarHBondContact CB-O 3.34Å; Y749-T817 HydrophobicContact CD2-CG2 4.47Å; Y749-T817 HydrophobicContact CE1-CG2 4.43Å; Y749-T817 HydrophobicContact CE2-CG2 4.21Å; Y749-H818 AromaticContact CD1-CD2 3.71Å; Y749-H818 AromaticContact CD1-CE1 3.9Å; Y749-H818 AromaticContact CD1-CG 3.91Å; Y749-H818 AromaticContact CD1-NE2 3.71Å; Y749-H818 AromaticContact CE1-CD2 3.89Å; Y749-H818 PolarHBondContact O-CE1 3.11Å
750	Q	88.6	Confident	91.5	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.061	20%	0.198	C	C	.	.	S	Bend	trans	-130.8	143.6	-174.2	-71.7	177.6	-23.4	0	0	110.6	I748 E816 V865	I748-Q750 VanDerWaalsContact CD1-O 3.31Å; I748-Q750 WeakPolarHBondContact CD1-O 3.48Å; Q750-E816 VanDerWaalsContact OE1-N 3.15Å; Q750-V865 HydrophobicContact CG-CG1 4.34Å
751	D	91.2	Very high	91.4	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.064	20%	0.198	C	C	.	.			trans	-71.2	129.4	170	-76.2	12.8	0	0	0	108.7	V763 Q764 R765 L868 Y869	D751-V763 WeakPolarHBondContact CA-O 3.49Å; D751-Q764 WeakPolarHBondContact OD1-CA 3.46Å; D751-Q764 WeakPolarHBondContact OD2-CB 3.46Å; D751-Q764 WeakPolarHBondContact OD2-CG 3.31Å; D751-R765 VanDerWaalsContact OD1-CG 3.27Å; D751-R765 WeakPolarHBondContact OD1-CG 3.48Å; D751-R765 PolarHBondContact OD1-N 2.97Å; D751-L868 HydrophobicContact CB-CD2 4.01Å; D751-L868 WeakPolarHBondContact O-CA 3.45Å; D751-Y869 PolarHBondContact O-N 3.34Å
752	F	92.4	Very high	91.5	Very high	11 Å²	11	39 Å²	39	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	152.8	-175.9	68.4	-100.1	0	0	0	112.8	I748 A754 V763 F808 G811 L812 L868 Y869	I748-F752 HydrophobicContact CD1-CD1 4.07Å; I748-F752 HydrophobicContact CD1-CE1 3.87Å; F752-A754 HydrophobicContact CD2-CB 4.27Å; F752-A754 HydrophobicContact CE2-CB 4.4Å; F752-V763 HydrophobicContact CD1-CB 4.4Å; F752-V763 HydrophobicContact CD2-CB 4.25Å; F752-V763 HydrophobicContact CD2-CG2 4.2Å; F752-V763 HydrophobicContact CE1-CB 4.1Å; F752-V763 HydrophobicContact CE1-CG1 4.1Å; F752-V763 HydrophobicContact CE1-CG2 4.49Å; F752-V763 HydrophobicContact CE2-CB 3.92Å; F752-V763 HydrophobicContact CE2-CG2 3.56Å; F752-V763 HydrophobicContact CG-CB 4.47Å; F752-V763 HydrophobicContact CZ-CB 3.86Å; F752-V763 HydrophobicContact CZ-CG1 4.05Å; F752-V763 HydrophobicContact CZ-CG2 3.74Å; F752-V763 PolarHBondContact N-O 3.27Å; F752-V763 VanDerWaalsContact N-O 3.12Å; F752-V763 PolarHBondContact O-N 3.47Å; F752-F808 HydrophobicContact CZ-CD2 4.26Å; F752-F808 HydrophobicContact CZ-CE2 4.32Å; F752-G811 VanDerWaalsContact CE2-CA 3.46Å; F752-L812 HydrophobicContact CE1-CD2 4.13Å; F752-L812 HydrophobicContact CZ-CD2 4.29Å; F752-L812 HydrophobicContact CZ-CG 4.27Å; F752-L868 WeakPolarHBondContact O-CD2 3.35Å; F752-Y869 WeakPolarHBondContact CA-O 3.42Å; F752-Y869 WeakPolarHBondContact CB-O 3.14Å
753	W	91.2	Very high	91.5	Very high	38 Å²	38	37.7 Å²	37.7	14%	0.144	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.2	166.3	166	82.5	0	0	0	109.7	E755 Q760 L761 F762 L868 Y869 Y876	W753-E755 HydrophobicContact CH2-CB 4.07Å; W753-E755 HydrophobicContact CH2-CG 3.6Å; W753-E755 HydrophobicContact CZ2-CB 3.67Å; W753-E755 VanDerWaalsContact CZ2-CD 3.5Å; W753-E755 HydrophobicContact CZ2-CG 3.72Å; W753-E755 VanDerWaalsContact CZ2-OE2 3.26Å; W753-E755 WeakPolarHBondContact CZ2-OE2 3.39Å; W753-E755 HydrophobicContact CZ3-CG 4.46Å; W753-Q760 HydrophobicContact CZ2-CG 4.25Å; W753-L761 CarbonylContact C-O 3.56Å; W753-L761 VanDerWaalsContact CA-O 3.24Å; W753-L761 WeakPolarHBondContact CA-O 3.12Å; W753-F762 HydrophobicContact CB-CD1 4.13Å; W753-F762 HydrophobicContact CB-CE1 4.34Å; W753-F762 AromaticContact CD1-CD1 3.37Å; W753-F762 AromaticContact CD1-CE1 3.05Å; W753-F762 AromaticContact CD1-CG 3.98Å; W753-F762 AromaticContact CD1-CZ 3.42Å; W753-F762 VanDerWaalsContact CD1-CZ 3.42Å; W753-F762 HydrophobicContact CG-CD1 4.04Å; W753-F762 AromaticContact CG-CE1 3.84Å; W753-F762 HydrophobicContact CG-CE1 3.84Å; W753-F762 AromaticContact NE1-CE1 3.59Å; W753-F762 AromaticContact NE1-CZ 3.53Å; W753-L868 HydrophobicContact CB-CB 4.45Å; W753-Y869 PolarHBondContact N-O 3.01Å; W753-Y876 HydrophobicContact CD2-CD2 4.01Å; W753-Y876 HydrophobicContact CD2-CE2 4.46Å; W753-Y876 HydrophobicContact CE3-CD2 4.37Å; W753-Y876 HydrophobicContact CG-CD2 4.12Å; W753-Y876 HydrophobicContact CG-CG 4.48Å
754	A	91.7	Very high	91.6	Very high	8 Å²	8	39.9 Å²	39.9	7%	0.066	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.1	177.3	0	0	0	0	0	110.6	F752 L761 A807	F752-A754 HydrophobicContact CD2-CB 4.27Å; F752-A754 HydrophobicContact CE2-CB 4.4Å; A754-L761 PolarHBondContact N-O 3.38Å; A754-L761 PolarHBondContact O-N 3.42Å; A754-A807 HydrophobicContact CB-CB 4.14Å; A754-A807 WeakPolarHBondContact CB-O 3.41Å
755	E	90	Very high	91.7	Very high	95 Å²	95	39 Å²	39	44%	0.444	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	176.2	69.9	176.5	-175.6	0	0	112.3	W753 T759 Q760	W753-E755 HydrophobicContact CH2-CB 4.07Å; W753-E755 HydrophobicContact CH2-CG 3.6Å; W753-E755 HydrophobicContact CZ2-CB 3.67Å; W753-E755 VanDerWaalsContact CZ2-CD 3.5Å; W753-E755 HydrophobicContact CZ2-CG 3.72Å; W753-E755 VanDerWaalsContact CZ2-OE2 3.26Å; W753-E755 WeakPolarHBondContact CZ2-OE2 3.39Å; W753-E755 HydrophobicContact CZ3-CG 4.46Å; E755-T759 WeakPolarHBondContact CA-O 3.23Å; E755-Q760 HydrophobicContact CB-CG 3.87Å; E755-Q760 PolarHBondContact OE2-NE2 2.92Å
756	C	91.2	Very high	91.8	Very high	16 Å²	16	36.2 Å²	36.2	11%	0.108	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	117	170	173.3	0	0	0	0	108.4	T759 A803 A807	C756-T759 PolarHBondContact N-O 3.44Å; C756-T759 PolarHBondContact O-N 3.26Å; C756-A803 HydrophobicContact CB-CB 4.2Å; C756-A803 WeakPolarHBondContact O-CB 3.43Å; C756-A807 HydrophobicContact CB-CB 3.83Å
757	R	91.9	Very high	91.7	Very high	175 Å²	175	39.8 Å²	39.8	66%	0.66	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	-135.8	-171.8	-52.1	176.4	178.9	164.8	3	109.5	T759	R757-T759 PolarHBondContact O-N 2.93Å
758	S	89.6	Confident	91.5	Very high	79 Å²	79	46 Å²	46	55%	0.552	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	21.5	179.4	71.5	0	0	0	0	114.1	G796 N797	S758-G796 WeakPolarHBondContact O-CA 3.29Å; S758-N797 PolarHBondContact O-N 3.18Å
759	T	92.6	Very high	91.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.6	-177.5	-54.5	0	0	0	0	109.1	E755 C756 R757 V794 N797 I804	E755-T759 WeakPolarHBondContact CA-O 3.23Å; C756-T759 PolarHBondContact N-O 3.44Å; C756-T759 PolarHBondContact O-N 3.26Å; R757-T759 PolarHBondContact O-N 2.93Å; T759-V794 HydrophobicContact CG2-CG1 3.67Å; T759-N797 PolarHBondContact OG1-O 3.26Å; T759-I804 HydrophobicContact CG2-CG1 3.81Å
760	Q	91.8	Very high	91.5	Very high	55 Å²	55	50.8 Å²	50.8	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.5	179.8	-66.5	-173.7	-16.2	0	0	109.9	W753 E755 F762 V794 E795	W753-Q760 HydrophobicContact CZ2-CG 4.25Å; E755-Q760 HydrophobicContact CB-CG 3.87Å; E755-Q760 PolarHBondContact OE2-NE2 2.92Å; Q760-F762 HydrophobicContact CB-CE2 4.11Å; Q760-F762 HydrophobicContact CB-CZ 4.44Å; Q760-V794 WeakPolarHBondContact O-CA 3.24Å; Q760-E795 HydrophobicContact CB-CB 4.43Å; Q760-E795 PolarHBondContact N-O 2.73Å; Q760-E795 PolarHBondContact O-N 2.79Å
761	L	93.1	Very high	91.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.1	179.8	-65.5	-179	0	0	0	109.4	W753 A754 V763 L778 R793 V794 I804 A807 F808	W753-L761 CarbonylContact C-O 3.56Å; W753-L761 VanDerWaalsContact CA-O 3.24Å; W753-L761 WeakPolarHBondContact CA-O 3.12Å; A754-L761 PolarHBondContact N-O 3.38Å; A754-L761 PolarHBondContact O-N 3.42Å; L761-V763 HydrophobicContact CB-CG2 4.47Å; L761-L778 HydrophobicContact CD2-CD1 4.2Å; L761-R793 WeakPolarHBondContact CA-O 3.49Å; L761-V794 HydrophobicContact CD2-CB 3.94Å; L761-V794 HydrophobicContact CD2-CG1 3.79Å; L761-V794 HydrophobicContact CD2-CG2 3.46Å; L761-V794 VanDerWaalsContact CD2-CG2 3.46Å; L761-I804 WeakPolarHBondContact CD1-O 3.33Å; L761-I804 HydrophobicContact CD2-CG2 4.41Å; L761-A807 HydrophobicContact CD1-CB 3.56Å; L761-A807 HydrophobicContact CG-CB 4.08Å; L761-F808 HydrophobicContact CD1-CB 3.76Å
762	F	92.8	Very high	92.1	Very high	21 Å²	21	52.9 Å²	52.9	9%	0.092	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	172.7	-57.1	-88	0	0	0	107.2	W753 Q760 A792 R793 E795 L868 Y876	W753-F762 HydrophobicContact CB-CD1 4.13Å; W753-F762 HydrophobicContact CB-CE1 4.34Å; W753-F762 AromaticContact CD1-CD1 3.37Å; W753-F762 AromaticContact CD1-CE1 3.05Å; W753-F762 AromaticContact CD1-CG 3.98Å; W753-F762 AromaticContact CD1-CZ 3.42Å; W753-F762 VanDerWaalsContact CD1-CZ 3.42Å; W753-F762 HydrophobicContact CG-CD1 4.04Å; W753-F762 AromaticContact CG-CE1 3.84Å; W753-F762 HydrophobicContact CG-CE1 3.84Å; W753-F762 AromaticContact NE1-CE1 3.59Å; W753-F762 AromaticContact NE1-CZ 3.53Å; Q760-F762 HydrophobicContact CB-CE2 4.11Å; Q760-F762 HydrophobicContact CB-CZ 4.44Å; F762-A792 CarbonylContact O-C 3.58Å; F762-A792 VanDerWaalsContact O-CA 3.26Å; F762-A792 WeakPolarHBondContact O-CA 3.11Å; F762-R793 HydrophobicContact CB-CB 4.41Å; F762-R793 PolarHBondContact N-O 2.87Å; F762-R793 PolarHBondContact O-N 3.41Å; F762-E795 HydrophobicContact CD2-CG 4.17Å; F762-E795 HydrophobicContact CE2-CB 4.14Å; F762-E795 HydrophobicContact CE2-CG 3.77Å; F762-L868 HydrophobicContact CD1-CD1 4.17Å; F762-Y876 HydrophobicContact CD1-CE1 4.38Å; F762-Y876 AromaticContact CE1-CD1 3.89Å; F762-Y876 HydrophobicContact CE1-CD1 3.89Å; F762-Y876 HydrophobicContact CE1-CD2 4.32Å; F762-Y876 AromaticContact CE1-CE1 3.47Å; F762-Y876 HydrophobicContact CE1-CE1 3.47Å; F762-Y876 VanDerWaalsContact CE1-CE1 3.47Å; F762-Y876 AromaticContact CE1-CE2 3.97Å; F762-Y876 HydrophobicContact CE1-CE2 3.97Å; F762-Y876 HydrophobicContact CE1-CG 4.28Å; F762-Y876 AromaticContact CE1-CZ 3.52Å; F762-Y876 HydrophobicContact CZ-CE1 4.18Å; F762-Y876 HydrophobicContact CZ-CE2 4.36Å; F762-Y876 AromaticContact CZ-CZ 3.86Å
763	V	94.7	Very high	92.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130	-171.7	-172.6	0	0	0	0	109.2	I748 D751 F752 L761 L790 A792 F808 L868	I748-V763 HydrophobicContact CD1-CB 4.4Å; I748-V763 HydrophobicContact CD1-CG1 3.54Å; D751-V763 WeakPolarHBondContact CA-O 3.49Å; F752-V763 HydrophobicContact CD1-CB 4.4Å; F752-V763 HydrophobicContact CD2-CB 4.25Å; F752-V763 HydrophobicContact CD2-CG2 4.2Å; F752-V763 HydrophobicContact CE1-CB 4.1Å; F752-V763 HydrophobicContact CE1-CG1 4.1Å; F752-V763 HydrophobicContact CE1-CG2 4.49Å; F752-V763 HydrophobicContact CE2-CB 3.92Å; F752-V763 HydrophobicContact CE2-CG2 3.56Å; F752-V763 HydrophobicContact CG-CB 4.47Å; F752-V763 HydrophobicContact CZ-CB 3.86Å; F752-V763 HydrophobicContact CZ-CG1 4.05Å; F752-V763 HydrophobicContact CZ-CG2 3.74Å; F752-V763 PolarHBondContact N-O 3.27Å; F752-V763 VanDerWaalsContact N-O 3.12Å; F752-V763 PolarHBondContact O-N 3.47Å; L761-V763 HydrophobicContact CB-CG2 4.47Å; V763-L790 HydrophobicContact CG1-CD1 3.63Å; V763-L790 HydrophobicContact CG1-CD2 3.88Å; V763-L790 HydrophobicContact CG1-CG 3.86Å; V763-A792 HydrophobicContact CG1-CB 4.36Å; V763-A792 HydrophobicContact CG2-CB 4.03Å; V763-F808 HydrophobicContact CG1-CE2 4.27Å; V763-F808 HydrophobicContact CG2-CD2 4.14Å; V763-F808 HydrophobicContact CG2-CE2 4.13Å; V763-L868 WeakPolarHBondContact O-CD2 3.45Å
764	Q	92.5	Very high	92.4	Very high	69 Å²	69	59.5 Å²	59.5	32%	0.322	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136	-178.7	-62.1	-177.3	-42.7	0	0	110.4	D751 M766 F791 L868	D751-Q764 WeakPolarHBondContact OD1-CA 3.46Å; D751-Q764 WeakPolarHBondContact OD2-CB 3.46Å; D751-Q764 WeakPolarHBondContact OD2-CG 3.31Å; Q764-M766 HydrophobicContact CB-CE 4.18Å; Q764-F791 HydrophobicContact CB-CB 4.44Å; Q764-F791 HydrophobicContact CB-CD1 4.33Å; Q764-F791 HydrophobicContact CG-CD1 4.43Å; Q764-F791 PolarHBondContact N-O 3.12Å; Q764-F791 PolarHBondContact O-N 3.33Å; Q764-F791 VanDerWaalsContact O-N 3.08Å; Q764-L868 HydrophobicContact CG-CD2 4.49Å
765	R	91.5	Very high	92.7	Very high	68 Å²	68	61 Å²	61	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	148.3	171.6	70.8	-164	176.6	161.3	3.3	110.4	T747 I748 Y749 D751 D866	T747-R765 HydrophobicContact CG2-CB 4.33Å; I748-R765 HydrophobicContact CG1-CB 3.82Å; Y749-R765 PolarHBondContact O-NH1 3.37Å; D751-R765 VanDerWaalsContact OD1-CG 3.27Å; D751-R765 WeakPolarHBondContact OD1-CG 3.48Å; D751-R765 PolarHBondContact OD1-N 2.97Å; R765-D866 IonicContact CZ-OD1 2.58Å; R765-D866 IonicContact NE-OD1 3.89Å; R765-D866 IonicContact NH2-OD1 3.16Å; R765-D866 PolarHBondContact NH2-OD1 3.47Å
766	M	91.8	Very high	92.8	Very high	39 Å²	39	62.7 Å²	62.7	19%	0.192	32%	0.317	C	S	.	.			trans	-136.5	150.7	-176.9	-72.4	-70.3	159.2	0	0	109.8	T747 Q764 Y770 D789 F791	T747-M766 PolarHBondContact OG1-N 2.91Å; Q764-M766 HydrophobicContact CB-CE 4.18Å; M766-Y770 HydrophobicContact CB-CD1 3.58Å; M766-Y770 HydrophobicContact CB-CD2 4.48Å; M766-Y770 HydrophobicContact CB-CE1 4.26Å; M766-Y770 HydrophobicContact CB-CG 3.72Å; M766-Y770 HydrophobicContact CG-CD1 3.47Å; M766-Y770 VanDerWaalsContact CG-CD1 3.47Å; M766-Y770 HydrophobicContact CG-CD2 4.42Å; M766-Y770 HydrophobicContact CG-CE1 3.61Å; M766-Y770 HydrophobicContact CG-CG 3.92Å; M766-Y770 HydrophobicContact SD-CD1 4.05Å; M766-Y770 HydrophobicContact SD-CD2 4Å; M766-Y770 HydrophobicContact SD-CE1 3.9Å; M766-Y770 HydrophobicContact SD-CE2 3.81Å; M766-Y770 HydrophobicContact SD-CG 4.11Å; M766-D789 HydrophobicContact CB-CB 4.42Å; M766-F791 HydrophobicContact CE-CB 3.44Å; M766-F791 VanDerWaalsContact CE-CB 3.44Å; M766-F791 HydrophobicContact CE-CD1 4.46Å; M766-F791 HydrophobicContact CE-CG 4.11Å; M766-F791 HydrophobicContact CG-CB 3.92Å; M766-F791 HydrophobicContact SD-CB 4.38Å
767	P	90.2	Very high	93	Very high	87 Å²	87	62 Å²	62	57%	0.565	31%	0.312	S	S	*	.			trans	-66.4	160.2	178.9	28.9	-35.5	0	0	0	111.6	G769 Y770 D789	P767-G769 PolarHBondContact O-N 2.84Å; P767-Y770 WeakPolarHBondContact O-CB 3.39Å; P767-Y770 PolarHBondContact O-N 3.34Å; P767-D789 WeakPolarHBondContact O-CB 3.13Å
768	E	89.3	Confident	93.2	Very high	134 Å²	134	53.6 Å²	53.6	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.8	178.6	-69	-173	-179.1	0	0	111.4	H746	H746-E768 WeakPolarHBondContact CD2-CG 3.34Å; H746-E768 IonicContact CD2-OE1 3.93Å; H746-E768 PolarHBondContact CD2-OE1 3.43Å; H746-E768 VanDerWaalsContact CE1-CG 3.44Å; H746-E768 WeakPolarHBondContact CE1-CG 3.25Å; H746-E768 WeakPolarHBondContact NE2-CG 3.5Å; H746-E768 IonicContact NE2-OE1 3.65Å; H746-E768 PolarHBondContact NE2-OE1 3.18Å
769	G	90.1	Very high	93.5	Very high	75 Å²	75	57.6 Å²	57.6	77%	0.773	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	-1.6	178.1	0	0	0	0	0	115.4	P767 G771 D789	P767-G769 PolarHBondContact O-N 2.84Å; G769-G771 VanDerWaalsContact C-N 3.33Å; G769-D789 PolarHBondContact N-OD1 3.48Å; G769-D789 VanDerWaalsContact N-OD1 3.12Å; G769-D789 PolarHBondContact N-OD2 2.99Å
770	Y	94	Very high	93.6	Very high	72 Å²	72	57.9 Å²	57.9	28%	0.282	29%	0.286	S	S	.	.			trans	-65.7	-34.6	174.2	-177.9	-97.3	0	0	0	113.3	M766 P767 R773 D789 F791	M766-Y770 HydrophobicContact CB-CD1 3.58Å; M766-Y770 HydrophobicContact CB-CD2 4.48Å; M766-Y770 HydrophobicContact CB-CE1 4.26Å; M766-Y770 HydrophobicContact CB-CG 3.72Å; M766-Y770 HydrophobicContact CG-CD1 3.47Å; M766-Y770 VanDerWaalsContact CG-CD1 3.47Å; M766-Y770 HydrophobicContact CG-CD2 4.42Å; M766-Y770 HydrophobicContact CG-CE1 3.61Å; M766-Y770 HydrophobicContact CG-CG 3.92Å; M766-Y770 HydrophobicContact SD-CD1 4.05Å; M766-Y770 HydrophobicContact SD-CD2 4Å; M766-Y770 HydrophobicContact SD-CE1 3.9Å; M766-Y770 HydrophobicContact SD-CE2 3.81Å; M766-Y770 HydrophobicContact SD-CG 4.11Å; P767-Y770 WeakPolarHBondContact O-CB 3.39Å; P767-Y770 PolarHBondContact O-N 3.34Å; Y770-R773 HydrophobicContact CD1-CG 4.5Å; Y770-R773 HydrophobicContact CE1-CB 3.95Å; Y770-R773 HydrophobicContact CE1-CG 3.7Å; Y770-R773 WeakPolarHBondContact OH-CD 3.23Å; Y770-D789 PolarHBondContact N-OD1 2.96Å; Y770-F791 HydrophobicContact CE1-CB 4.19Å
771	G	95.1	Very high	93.8	Very high	27 Å²	27	55.2 Å²	55.2	28%	0.278	27%	0.273	S	S	.	.			trans	80.6	-173.9	-175.6	0	0	0	0	0	114.5	G769 R788 D789 L790	G769-G771 VanDerWaalsContact C-N 3.33Å; G771-R788 CarbonylContact C-O 3.47Å; G771-R788 VanDerWaalsContact C-O 3.27Å; G771-R788 WeakPolarHBondContact CA-O 3.46Å; G771-D789 WeakPolarHBondContact CA-OD1 3.3Å; G771-D789 PolarHBondContact N-OD1 3.14Å; G771-L790 PolarHBondContact O-N 3.47Å
772	L	95.8	Very high	94	Very high	42 Å²	42	55.2 Å²	55.2	22%	0.22	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	103.1	-179.1	-63.1	175.6	0	0	0	111.3	R779 C782 I787 R788 L790	L772-R779 HydrophobicContact CB-CG 4.23Å; L772-R779 HydrophobicContact CD1-CG 3.91Å; L772-C782 HydrophobicContact CD1-CB 3.65Å; L772-C782 HydrophobicContact CD2-CB 3.85Å; L772-C782 HydrophobicContact CG-CB 4.42Å; L772-I787 HydrophobicContact CD2-CG2 4.38Å; L772-R788 WeakPolarHBondContact CD2-O 3.46Å; L772-R788 WeakPolarHBondContact CG-O 2.94Å; L772-R788 PolarHBondContact N-O 3.13Å; L772-L790 HydrophobicContact CD2-CB 3.87Å
773	R	96.3	Very high	94	Very high	157 Å²	157	59.2 Å²	59.2	59%	0.592	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	80.2	172.4	-63.9	-161.4	-167.5	-173.8	-2.3	110.6	Y770 L790 F791 A792	Y770-R773 HydrophobicContact CD1-CG 4.5Å; Y770-R773 HydrophobicContact CE1-CB 3.95Å; Y770-R773 HydrophobicContact CE1-CG 3.7Å; Y770-R773 WeakPolarHBondContact OH-CD 3.23Å; R773-L790 PolarHBondContact N-O 3.33Å; R773-F791 HydrophobicContact CB-CD2 3.99Å; R773-A792 PolarHBondContact O-N 3.45Å; R773-A792 VanDerWaalsContact O-N 3.11Å
774	C	95.1	Very high	94	Very high	30 Å²	30	59.4 Å²	59.4	20%	0.203	29%	0.293	C	S	.	.	S	Bend	trans	-151.9	175.1	-176.5	59.2	0	0	0	0	112.7	L778 R779 A792	C774-L778 HydrophobicContact CB-CB 4.06Å; C774-L778 HydrophobicContact CB-CD1 4.21Å; C774-R779 PolarHBondContact SG-N 3.23Å; C774-A792 WeakPolarHBondContact CA-O 3.42Å; C774-A792 HydrophobicContact CB-CB 3.75Å
775	H	96.2	Very high	94.2	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.181	28%	0.278	C	S	.	.			trans	-57.9	142.5	173.5	-175.9	-102	0	0	0	111.4	A777 L778 R779 V794 Y801	H775-A777 WeakPolarHBondContact ND1-CB 3.18Å; H775-A777 PolarHBondContact ND1-N 3.48Å; H775-A777 PolarHBondContact O-N 3.44Å; H775-L778 HydrophobicContact CB-CD1 4.44Å; H775-L778 HydrophobicContact CB-CG 4.49Å; H775-L778 WeakPolarHBondContact O-CA 3.44Å; H775-L778 WeakPolarHBondContact O-CB 3.24Å; H775-L778 PolarHBondContact O-N 3.3Å; H775-R779 PolarHBondContact O-N 3.38Å; H775-V794 HydrophobicContact CB-CG2 3.71Å; H775-Y801 AromaticContact CE1-CE1 3.87Å
776	R	93.8	Very high	94.3	Very high	132 Å²	132	53.4 Å²	53.4	50%	0.498	27%	0.271	S	S	.	.	H	α-helix	trans	-51.7	-31	-176.6	59.9	179.7	148.5	-156.7	-11.5	115.5	A780 Y801	R776-A780 PolarHBondContact O-N 3.36Å; R776-A780 VanDerWaalsContact O-N 3.13Å; R776-Y801 PolarHBondContact NE-OH 2.99Å
777	A	94.9	Very high	94.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-44.5	175.4	0	0	0	0	0	111.7	H775 A780 I781 Y801 I804	H775-A777 WeakPolarHBondContact ND1-CB 3.18Å; H775-A777 PolarHBondContact ND1-N 3.48Å; H775-A777 PolarHBondContact O-N 3.44Å; A777-A780 PolarHBondContact O-N 2.95Å; A777-I781 WeakPolarHBondContact O-CG1 3.42Å; A777-I781 PolarHBondContact O-N 3.46Å; A777-Y801 HydrophobicContact CB-CD1 3.52Å; A777-Y801 HydrophobicContact CB-CE1 3.69Å; A777-I804 HydrophobicContact CB-CG2 4.27Å
778	L	96.2	Very high	94.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-42	177.4	-61.2	178.7	0	0	0	110	L761 C774 H775 A780 I781 C782 A792 V794 I804 F808	L761-L778 HydrophobicContact CD2-CD1 4.2Å; C774-L778 HydrophobicContact CB-CB 4.06Å; C774-L778 HydrophobicContact CB-CD1 4.21Å; H775-L778 HydrophobicContact CB-CD1 4.44Å; H775-L778 HydrophobicContact CB-CG 4.49Å; H775-L778 WeakPolarHBondContact O-CA 3.44Å; H775-L778 WeakPolarHBondContact O-CB 3.24Å; H775-L778 PolarHBondContact O-N 3.3Å; L778-A780 VanDerWaalsContact C-N 3.26Å; L778-A780 PolarHBondContact O-N 3.47Å; L778-I781 HydrophobicContact CD2-CD1 4.48Å; L778-I781 CarbonylContact O-C 3.57Å; L778-I781 PolarHBondContact O-N 3.38Å; L778-C782 WeakPolarHBondContact O-CB 3.5Å; L778-C782 PolarHBondContact O-N 3.1Å; L778-C782 PolarHBondContact O-SG 3.3Å; L778-A792 HydrophobicContact CD1-CB 3.74Å; L778-V794 HydrophobicContact CD1-CG2 4.02Å; L778-I804 HydrophobicContact CD2-CG2 3.59Å; L778-I804 HydrophobicContact CG-CG2 3.92Å; L778-F808 HydrophobicContact CD2-CB 3.61Å; L778-F808 HydrophobicContact CD2-CD1 3.8Å; L778-F808 HydrophobicContact CD2-CD2 3.67Å; L778-F808 HydrophobicContact CD2-CE1 4.35Å; L778-F808 HydrophobicContact CD2-CE2 4.26Å; L778-F808 HydrophobicContact CD2-CG 3.42Å; L778-F808 VanDerWaalsContact CD2-CG 3.42Å
779	R	95	Very high	95.2	Very high	162 Å²	162	50.3 Å²	50.3	61%	0.611	24%	0.241	S	C	*	.	H	α-helix	trans	-54.6	-43.1	174.3	-170.4	177	179.1	-178.9	0.6	112.4	L772 C774 H775 Q783	L772-R779 HydrophobicContact CB-CG 4.23Å; L772-R779 HydrophobicContact CD1-CG 3.91Å; C774-R779 PolarHBondContact SG-N 3.23Å; H775-R779 PolarHBondContact O-N 3.38Å; R779-Q783 PolarHBondContact O-N 3.32Å; R779-Q783 VanDerWaalsContact O-N 3.09Å
780	A	94.9	Very high	95.4	Very high	6 Å²	6	46.8 Å²	46.8	5%	0.05	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-39.2	176.2	0	0	0	0	0	113	W651 I679 L681 R776 A777 L778 L784	W651-A780 HydrophobicContact CH2-CB 4.16Å; W651-A780 HydrophobicContact CZ3-CB 4.01Å; I679-A780 HydrophobicContact CD1-CB 4.17Å; I679-A780 HydrophobicContact CG2-CB 4.12Å; L681-A780 HydrophobicContact CD2-CB 3.98Å; R776-A780 PolarHBondContact O-N 3.36Å; R776-A780 VanDerWaalsContact O-N 3.13Å; A777-A780 PolarHBondContact O-N 2.95Å; L778-A780 VanDerWaalsContact C-N 3.26Å; L778-A780 PolarHBondContact O-N 3.47Å; A780-L784 PolarHBondContact O-N 2.88Å
781	I	96.6	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-47.8	175.6	-64.2	163.6	0	0	0	110.2	L681 V704 A777 L778 Q783 L784 V785 A805 F808 F809	L681-I781 HydrophobicContact CD1-CD1 4.03Å; L681-I781 HydrophobicContact CD1-CG1 4.17Å; V704-I781 HydrophobicContact CG1-CG1 4.41Å; V704-I781 HydrophobicContact CG2-CG1 4.12Å; A777-I781 WeakPolarHBondContact O-CG1 3.42Å; A777-I781 PolarHBondContact O-N 3.46Å; L778-I781 HydrophobicContact CD2-CD1 4.48Å; L778-I781 CarbonylContact O-C 3.57Å; L778-I781 PolarHBondContact O-N 3.38Å; I781-Q783 VanDerWaalsContact C-N 3.26Å; I781-Q783 PolarHBondContact O-N 3.47Å; I781-L784 CarbonylContact O-C 3.59Å; I781-L784 WeakPolarHBondContact O-CA 3.41Å; I781-L784 PolarHBondContact O-N 3.18Å; I781-V785 HydrophobicContact CG2-CG2 3.89Å; I781-V785 WeakPolarHBondContact O-CG2 3.42Å; I781-V785 PolarHBondContact O-N 2.84Å; I781-A805 HydrophobicContact CD1-CB 4.02Å; I781-F808 HydrophobicContact CB-CD1 4.34Å; I781-F808 HydrophobicContact CB-CE1 4.33Å; I781-F808 HydrophobicContact CD1-CD1 4.37Å; I781-F808 HydrophobicContact CG2-CD1 3.81Å; I781-F808 HydrophobicContact CG2-CE1 3.83Å; I781-F809 HydrophobicContact CD1-CE2 4.37Å; I781-F809 HydrophobicContact CG1-CE2 4.45Å; I781-F809 HydrophobicContact CG2-CD2 4.44Å; I781-F809 HydrophobicContact CG2-CE2 3.66Å; I781-F809 HydrophobicContact CG2-CZ 3.94Å
782	C	96.3	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-39.5	177.1	-67.8	0	0	0	0	112	L772 L778 L784 V785 G786 I787	L772-C782 HydrophobicContact CD1-CB 3.65Å; L772-C782 HydrophobicContact CD2-CB 3.85Å; L772-C782 HydrophobicContact CG-CB 4.42Å; L778-C782 WeakPolarHBondContact O-CB 3.5Å; L778-C782 PolarHBondContact O-N 3.1Å; L778-C782 PolarHBondContact O-SG 3.3Å; C782-L784 VanDerWaalsContact C-N 3.29Å; C782-L784 PolarHBondContact O-N 3.46Å; C782-V785 PolarHBondContact O-N 3.25Å; C782-G786 PolarHBondContact O-N 2.91Å; C782-I787 HydrophobicContact CB-CB 4.05Å; C782-I787 PolarHBondContact O-N 3.45Å
783	Q	93.7	Very high	95.5	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	21%	0.206	S	C	.	.	H	α-helix	trans	-61.2	-36	174.8	-173.1	179	6.3	0	0	112.9	R779 I781	R779-Q783 PolarHBondContact O-N 3.32Å; R779-Q783 VanDerWaalsContact O-N 3.09Å; I781-Q783 VanDerWaalsContact C-N 3.26Å; I781-Q783 PolarHBondContact O-N 3.47Å
784	L	95.2	Very high	95.5	Very high	5 Å²	5	43 Å²	43	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-81.6	-29.8	177.7	-68.8	178.4	0	0	0	113.3	K677 I679 V704 G706 N707 G708 A780 I781 C782	K677-L784 HydrophobicContact CB-CD2 3.68Å; K677-L784 WeakPolarHBondContact O-CD2 3.27Å; I679-L784 HydrophobicContact CB-CD1 3.92Å; I679-L784 HydrophobicContact CD1-CD1 3.93Å; I679-L784 HydrophobicContact CD1-CD2 4.01Å; I679-L784 HydrophobicContact CD1-CG 3.76Å; I679-L784 HydrophobicContact CG1-CD1 3.88Å; I679-L784 HydrophobicContact CG1-CD2 4.15Å; I679-L784 HydrophobicContact CG1-CG 4.15Å; V704-L784 HydrophobicContact CB-CD1 3.7Å; V704-L784 HydrophobicContact CG1-CD1 3.56Å; V704-L784 WeakPolarHBondContact O-CD1 3.5Å; G706-L784 CarbonylContact C-O 3.52Å; N707-L784 PolarHBondContact N-O 3.13Å; G708-L784 WeakPolarHBondContact CA-O 3.26Å; G708-L784 PolarHBondContact N-O 3.31Å; A780-L784 PolarHBondContact O-N 2.88Å; I781-L784 CarbonylContact O-C 3.59Å; I781-L784 WeakPolarHBondContact O-CA 3.41Å; I781-L784 PolarHBondContact O-N 3.18Å; C782-L784 VanDerWaalsContact C-N 3.29Å; C782-L784 PolarHBondContact O-N 3.46Å
785	V	95.7	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-77	-30.5	174.6	179.4	0	0	0	0	110.8	G710 A712 V740 I781 C782 I787	G710-V785 WeakPolarHBondContact CA-O 3.19Å; G710-V785 PolarHBondContact N-O 2.91Å; A712-V785 HydrophobicContact CB-CB 4.46Å; A712-V785 HydrophobicContact CB-CG2 3.58Å; V740-V785 HydrophobicContact CB-CG1 3.97Å; V740-V785 HydrophobicContact CG1-CG1 4.05Å; V740-V785 HydrophobicContact CG2-CG1 4.43Å; I781-V785 HydrophobicContact CG2-CG2 3.89Å; I781-V785 WeakPolarHBondContact O-CG2 3.42Å; I781-V785 PolarHBondContact O-N 2.84Å; C782-V785 PolarHBondContact O-N 3.25Å; V785-I787 HydrophobicContact CB-CD1 4.34Å; V785-I787 HydrophobicContact CB-CG1 4.37Å; V785-I787 HydrophobicContact CG1-CD1 3.8Å; V785-I787 HydrophobicContact CG1-CG1 3.88Å
786	G	95.2	Very high	95.1	Very high	10 Å²	10	44.6 Å²	44.6	10%	0.103	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	27	-173.3	0	0	0	0	0	114.2	G708 R742 C782	G708-G786 WeakPolarHBondContact O-CA 3.21Å; R742-G786 WeakPolarHBondContact CD-O 3.27Å; R742-G786 PolarHBondContact NH1-O 3.48Å; C782-G786 PolarHBondContact O-N 2.91Å
787	I	96.3	Very high	95	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	20%	0.2	C	C	.	.			trans	-93	126.3	173.2	-63.1	168.5	0	0	0	108	R742 H746 I748 L772 C782 V785 L790 L812	R742-I787 HydrophobicContact CG-CG1 4.16Å; H746-I787 WeakPolarHBondContact O-CG2 3.38Å; I748-I787 HydrophobicContact CG2-CD1 4.04Å; L772-I787 HydrophobicContact CD2-CG2 4.38Å; C782-I787 HydrophobicContact CB-CB 4.05Å; C782-I787 PolarHBondContact O-N 3.45Å; V785-I787 HydrophobicContact CB-CD1 4.34Å; V785-I787 HydrophobicContact CB-CG1 4.37Å; V785-I787 HydrophobicContact CG1-CD1 3.8Å; V785-I787 HydrophobicContact CG1-CG1 3.88Å; I787-L790 HydrophobicContact CG2-CB 3.97Å; I787-L790 HydrophobicContact CG2-CD1 3.95Å; I787-L812 HydrophobicContact CD1-CD1 4.35Å; I787-L812 HydrophobicContact CD1-CD2 3.89Å
788	R	95.9	Very high	94.8	Very high	182 Å²	182	44.9 Å²	44.9	69%	0.687	22%	0.218	S	C	*	.			trans	-103.1	-35.9	-175.5	-62.1	-177.5	-177.8	179.5	2.6	112.6	H746 G771 L772	H746-R788 HydrophobicContact CB-CB 4.35Å; H746-R788 PolarHBondContact O-N 3.28Å; G771-R788 CarbonylContact C-O 3.47Å; G771-R788 VanDerWaalsContact C-O 3.27Å; G771-R788 WeakPolarHBondContact CA-O 3.46Å; L772-R788 WeakPolarHBondContact CD2-O 3.46Å; L772-R788 WeakPolarHBondContact CG-O 2.94Å; L772-R788 PolarHBondContact N-O 3.13Å
789	D	96.4	Very high	94.5	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.053	25%	0.252	C	S	.	.	S	Bend	trans	-126.6	108.4	-169.6	-61.1	-62.4	0	0	0	110.3	H746 T747 M766 P767 G769 Y770 G771	H746-D789 IonicContact CG-OD2 3.71Å; H746-D789 IonicContact ND1-OD2 3.2Å; H746-D789 PolarHBondContact O-N 3.43Å; H746-D789 VanDerWaalsContact O-N 3.14Å; T747-D789 WeakPolarHBondContact CB-O 3.07Å; T747-D789 PolarHBondContact OG1-O 2.88Å; M766-D789 HydrophobicContact CB-CB 4.42Å; P767-D789 WeakPolarHBondContact O-CB 3.13Å; G769-D789 PolarHBondContact N-OD1 3.48Å; G769-D789 VanDerWaalsContact N-OD1 3.12Å; G769-D789 PolarHBondContact N-OD2 2.99Å; Y770-D789 PolarHBondContact N-OD1 2.96Å; G771-D789 WeakPolarHBondContact CA-OD1 3.3Å; G771-D789 PolarHBondContact N-OD1 3.14Å
790	L	95.5	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	135.1	-173.8	-171.3	129.5	0	0	0	111.7	I748 V763 G771 L772 R773 I787 A792 F808	I748-L790 HydrophobicContact CD1-CD1 4.11Å; I748-L790 HydrophobicContact CG1-CD1 4.38Å; I748-L790 HydrophobicContact CG2-CD1 3.8Å; V763-L790 HydrophobicContact CG1-CD1 3.63Å; V763-L790 HydrophobicContact CG1-CD2 3.88Å; V763-L790 HydrophobicContact CG1-CG 3.86Å; G771-L790 PolarHBondContact O-N 3.47Å; L772-L790 HydrophobicContact CD2-CB 3.87Å; R773-L790 PolarHBondContact N-O 3.33Å; I787-L790 HydrophobicContact CG2-CB 3.97Å; I787-L790 HydrophobicContact CG2-CD1 3.95Å; L790-A792 HydrophobicContact CD2-CB 3.68Å; L790-F808 HydrophobicContact CD2-CE2 4.35Å; L790-F808 HydrophobicContact CD2-CZ 4.48Å
791	F	96.8	Very high	94.4	Very high	68 Å²	68	46.9 Å²	46.9	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.5	166.6	177	-102	0	0	0	109.5	Q764 M766 Y770 R773 R793	Q764-F791 HydrophobicContact CB-CB 4.44Å; Q764-F791 HydrophobicContact CB-CD1 4.33Å; Q764-F791 HydrophobicContact CG-CD1 4.43Å; Q764-F791 PolarHBondContact N-O 3.12Å; Q764-F791 PolarHBondContact O-N 3.33Å; Q764-F791 VanDerWaalsContact O-N 3.08Å; M766-F791 HydrophobicContact CE-CB 3.44Å; M766-F791 VanDerWaalsContact CE-CB 3.44Å; M766-F791 HydrophobicContact CE-CD1 4.46Å; M766-F791 HydrophobicContact CE-CG 4.11Å; M766-F791 HydrophobicContact CG-CB 3.92Å; M766-F791 HydrophobicContact SD-CB 4.38Å; Y770-F791 HydrophobicContact CE1-CB 4.19Å; R773-F791 HydrophobicContact CB-CD2 3.99Å; F791-R793 HydrophobicContact CE1-CB 4.43Å
792	A	95.9	Very high	94.3	Very high	6 Å²	6	49.1 Å²	49.1	5%	0.05	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127	174.3	0	0	0	0	0	112.7	F762 V763 R773 C774 L778 L790	F762-A792 CarbonylContact O-C 3.58Å; F762-A792 VanDerWaalsContact O-CA 3.26Å; F762-A792 WeakPolarHBondContact O-CA 3.11Å; V763-A792 HydrophobicContact CG1-CB 4.36Å; V763-A792 HydrophobicContact CG2-CB 4.03Å; R773-A792 PolarHBondContact O-N 3.45Å; R773-A792 VanDerWaalsContact O-N 3.11Å; C774-A792 WeakPolarHBondContact CA-O 3.42Å; C774-A792 HydrophobicContact CB-CB 3.75Å; L778-A792 HydrophobicContact CD1-CB 3.74Å; L790-A792 HydrophobicContact CD2-CB 3.68Å
793	R	94.8	Very high	94.3	Very high	122 Å²	122	49.1 Å²	49.1	46%	0.46	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.2	176.2	179.4	178.1	172.7	148.1	1.5	109.9	L761 F762 F791 E795	L761-R793 WeakPolarHBondContact CA-O 3.49Å; F762-R793 HydrophobicContact CB-CB 4.41Å; F762-R793 PolarHBondContact N-O 2.87Å; F762-R793 PolarHBondContact O-N 3.41Å; F791-R793 HydrophobicContact CE1-CB 4.43Å; R793-E795 HydrophobicContact CG-CG 4.32Å; R793-E795 IonicContact CZ-OE1 3.7Å; R793-E795 IonicContact NE-OE1 3.87Å; R793-E795 PolarHBondContact NE-OE1 3.44Å; R793-E795 IonicContact NH2-OE1 3.69Å; R793-E795 PolarHBondContact NH2-OE1 3.37Å
794	V	95.2	Very high	94.4	Very high	24 Å²	24	44.2 Å²	44.2	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.8	176	-171.7	0	0	0	0	108.6	T759 Q760 L761 H775 L778 T798 I804	T759-V794 HydrophobicContact CG2-CG1 3.67Å; Q760-V794 WeakPolarHBondContact O-CA 3.24Å; L761-V794 HydrophobicContact CD2-CB 3.94Å; L761-V794 HydrophobicContact CD2-CG1 3.79Å; L761-V794 HydrophobicContact CD2-CG2 3.46Å; L761-V794 VanDerWaalsContact CD2-CG2 3.46Å; H775-V794 HydrophobicContact CB-CG2 3.71Å; L778-V794 HydrophobicContact CD1-CG2 4.02Å; V794-T798 HydrophobicContact CB-CG2 4.44Å; V794-T798 HydrophobicContact CG1-CG2 4.23Å; V794-I804 HydrophobicContact CG1-CD1 4.26Å; V794-I804 HydrophobicContact CG1-CG1 4.2Å
795	E	91.8	Very high	94.4	Very high	42 Å²	42	44 Å²	44	20%	0.196	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149	171.9	-60.7	-160.8	150.1	0	0	110.6	Q760 F762 R793 R878	Q760-E795 HydrophobicContact CB-CB 4.43Å; Q760-E795 PolarHBondContact N-O 2.73Å; Q760-E795 PolarHBondContact O-N 2.79Å; F762-E795 HydrophobicContact CD2-CG 4.17Å; F762-E795 HydrophobicContact CE2-CB 4.14Å; F762-E795 HydrophobicContact CE2-CG 3.77Å; R793-E795 HydrophobicContact CG-CG 4.32Å; R793-E795 IonicContact CZ-OE1 3.7Å; R793-E795 IonicContact NE-OE1 3.87Å; R793-E795 PolarHBondContact NE-OE1 3.44Å; R793-E795 IonicContact NH2-OE1 3.69Å; R793-E795 PolarHBondContact NH2-OE1 3.37Å; E795-R878 IonicContact OE1-NH2 3.49Å
796	G	90.4	Very high	94.4	Very high	59 Å²	59	48.8 Å²	48.8	61%	0.608	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	87	-140.8	-174.6	0	0	0	0	0	113.6	S758 T798	S758-G796 WeakPolarHBondContact O-CA 3.29Å; G796-T798 PolarHBondContact O-N 3.03Å
797	N	91.8	Very high	94.4	Very high	76 Å²	76	48.3 Å²	48.3	41%	0.406	23%	0.233	S	C	.	.			trans	-79.5	93.5	-171.9	-170.1	-14.4	0	0	0	112.6	S758 T759 K799 N800	S758-N797 PolarHBondContact O-N 3.18Å; T759-N797 PolarHBondContact OG1-O 3.26Å; N797-K799 PolarHBondContact O-N 3.26Å; N797-K799 WeakPolarHBondContact OD1-CB 3.42Å; N797-K799 PolarHBondContact OD1-N 2.88Å; N797-K799 VanDerWaalsContact OD1-N 3.07Å; N797-N800 HydrophobicContact CB-CB 4.31Å; N797-N800 PolarHBondContact O-N 3.34Å
798	T	90.9	Very high	94.3	Very high	62 Å²	62	48.1 Å²	48.1	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15	179.4	59.5	0	0	0	0	114.4	V794 G796 I804	V794-T798 HydrophobicContact CB-CG2 4.44Å; V794-T798 HydrophobicContact CG1-CG2 4.23Å; G796-T798 PolarHBondContact O-N 3.03Å; T798-I804 WeakPolarHBondContact O-CD1 3.5Å
799	K	90.4	Very high	94.3	Very high	162 Å²	162	39.7 Å²	39.7	70%	0.704	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.2	177.4	-63.2	178.8	-177.8	172.3	0	112.6	N797 Y801	N797-K799 PolarHBondContact O-N 3.26Å; N797-K799 WeakPolarHBondContact OD1-CB 3.42Å; N797-K799 PolarHBondContact OD1-N 2.88Å; N797-K799 VanDerWaalsContact OD1-N 3.07Å; K799-Y801 VanDerWaalsContact O-CD2 3.26Å; K799-Y801 WeakPolarHBondContact O-CD2 3.43Å; K799-Y801 PolarHBondContact O-N 2.92Å
800	N	93	Very high	94.1	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.123	21%	0.209	C	C	.	.			trans	-88.8	75.9	-179.1	-169.8	1.5	0	0	0	111.9	N797 Q802 A803 I804	N797-N800 HydrophobicContact CB-CB 4.31Å; N797-N800 PolarHBondContact O-N 3.34Å; N800-Q802 PolarHBondContact O-N 3.35Å; N800-Q802 VanDerWaalsContact O-N 3.16Å; N800-A803 HydrophobicContact CB-CB 4.2Å; N800-A803 VanDerWaalsContact ND2-CB 3.3Å; N800-A803 WeakPolarHBondContact ND2-CB 3.49Å; N800-A803 PolarHBondContact O-N 3.43Å; N800-A803 VanDerWaalsContact O-N 3.1Å; N800-A803 PolarHBondContact OD1-N 2.65Å; N800-I804 WeakPolarHBondContact O-CG1 3.31Å; N800-I804 PolarHBondContact O-N 3.03Å
801	Y	94.5	Very high	93.9	Very high	26 Å²	26	41.6 Å²	41.6	10%	0.102	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-31.4	-178.2	-69.7	-95	0	0	0	113.9	W651 L681 E682 H775 R776 A777 K799 A805	W651-Y801 HydrophobicContact CZ2-CE1 4.43Å; L681-Y801 HydrophobicContact CB-CD1 4.21Å; E682-Y801 HydrophobicContact CB-CD2 4.35Å; E682-Y801 HydrophobicContact CB-CG 4.31Å; H775-Y801 AromaticContact CE1-CE1 3.87Å; R776-Y801 PolarHBondContact NE-OH 2.99Å; A777-Y801 HydrophobicContact CB-CD1 3.52Å; A777-Y801 HydrophobicContact CB-CE1 3.69Å; K799-Y801 VanDerWaalsContact O-CD2 3.26Å; K799-Y801 WeakPolarHBondContact O-CD2 3.43Å; K799-Y801 PolarHBondContact O-N 2.92Å; Y801-A805 VanDerWaalsContact O-CB 3.3Å; Y801-A805 WeakPolarHBondContact O-CB 3.46Å; Y801-A805 PolarHBondContact O-N 3.12Å
802	Q	94.7	Very high	93.7	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.22	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-45	176.8	-68.9	-177.3	-13.9	0	0	111.9	L702 N800 K806	L702-Q802 HydrophobicContact CD1-CG 4.48Å; L702-Q802 HydrophobicContact CD2-CG 4.01Å; N800-Q802 PolarHBondContact O-N 3.35Å; N800-Q802 VanDerWaalsContact O-N 3.16Å; Q802-K806 WeakPolarHBondContact O-CB 3.28Å; Q802-K806 PolarHBondContact O-N 3.34Å
803	A	95.2	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-41.9	177.5	0	0	0	0	0	111.5	C756 N800 K806 A807	C756-A803 HydrophobicContact CB-CB 4.2Å; C756-A803 WeakPolarHBondContact O-CB 3.43Å; N800-A803 HydrophobicContact CB-CB 4.2Å; N800-A803 VanDerWaalsContact ND2-CB 3.3Å; N800-A803 WeakPolarHBondContact ND2-CB 3.49Å; N800-A803 PolarHBondContact O-N 3.43Å; N800-A803 VanDerWaalsContact O-N 3.1Å; N800-A803 PolarHBondContact OD1-N 2.65Å; A803-K806 PolarHBondContact O-N 2.88Å; A803-A807 VanDerWaalsContact O-CB 3.32Å; A803-A807 WeakPolarHBondContact O-CB 3.31Å; A803-A807 PolarHBondContact O-N 3.28Å
804	I	96.5	Very high	93.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-49.8	176.2	-64.6	169.4	0	0	0	110.7	T759 L761 A777 L778 V794 T798 N800 F808	T759-I804 HydrophobicContact CG2-CG1 3.81Å; L761-I804 WeakPolarHBondContact CD1-O 3.33Å; L761-I804 HydrophobicContact CD2-CG2 4.41Å; A777-I804 HydrophobicContact CB-CG2 4.27Å; L778-I804 HydrophobicContact CD2-CG2 3.59Å; L778-I804 HydrophobicContact CG-CG2 3.92Å; V794-I804 HydrophobicContact CG1-CD1 4.26Å; V794-I804 HydrophobicContact CG1-CG1 4.2Å; T798-I804 WeakPolarHBondContact O-CD1 3.5Å; N800-I804 WeakPolarHBondContact O-CG1 3.31Å; N800-I804 PolarHBondContact O-N 3.03Å; I804-F808 VanDerWaalsContact O-CB 3.26Å; I804-F808 WeakPolarHBondContact O-CB 3.43Å; I804-F808 PolarHBondContact O-N 2.99Å
805	A	96	Very high	92.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-47.1	179.1	0	0	0	0	0	111.1	L681 F714 I781 Y801 F808 F809	L681-A805 HydrophobicContact CD1-CB 4.15Å; F714-A805 HydrophobicContact CD2-CB 4.09Å; F714-A805 HydrophobicContact CE2-CB 4.22Å; F714-A805 HydrophobicContact CG-CB 4.45Å; I781-A805 HydrophobicContact CD1-CB 4.02Å; Y801-A805 VanDerWaalsContact O-CB 3.3Å; Y801-A805 WeakPolarHBondContact O-CB 3.46Å; Y801-A805 PolarHBondContact O-N 3.12Å; A805-F808 PolarHBondContact O-N 3.26Å; A805-F809 WeakPolarHBondContact O-CD2 3.13Å; A805-F809 PolarHBondContact O-N 2.73Å
806	K	95.2	Very high	92.5	Very high	102 Å²	102	38 Å²	38	44%	0.443	20%	0.199	S	C	.	.	H	α-helix	trans	-62	-52.3	-179.4	-174.4	-180	174.6	-160	0	112.3	F714 Q802 A803 F808 F809 D810	F714-K806 HydrophobicContact CE2-CB 4.36Å; F714-K806 HydrophobicContact CZ-CB 3.95Å; F714-K806 HydrophobicContact CZ-CG 4.31Å; Q802-K806 WeakPolarHBondContact O-CB 3.28Å; Q802-K806 PolarHBondContact O-N 3.34Å; A803-K806 PolarHBondContact O-N 2.88Å; K806-F808 VanDerWaalsContact C-N 3.25Å; K806-F808 PolarHBondContact O-N 3.4Å; K806-F809 PolarHBondContact O-N 3.49Å; K806-D810 VanDerWaalsContact CE-OD2 3.3Å; K806-D810 WeakPolarHBondContact CE-OD2 3.4Å; K806-D810 WeakPolarHBondContact CG-OD2 3.39Å; K806-D810 WeakPolarHBondContact O-CB 3.39Å; K806-D810 VanDerWaalsContact O-CG 3.26Å; K806-D810 PolarHBondContact O-N 3.23Å
807	A	94.2	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-39.2	179.1	0	0	0	0	0	111.7	A754 C756 L761 A803 G811	A754-A807 HydrophobicContact CB-CB 4.14Å; A754-A807 WeakPolarHBondContact CB-O 3.41Å; C756-A807 HydrophobicContact CB-CB 3.83Å; L761-A807 HydrophobicContact CD1-CB 3.56Å; L761-A807 HydrophobicContact CG-CB 4.08Å; A803-A807 VanDerWaalsContact O-CB 3.32Å; A803-A807 WeakPolarHBondContact O-CB 3.31Å; A803-A807 PolarHBondContact O-N 3.28Å; A807-G811 PolarHBondContact O-N 3.36Å
808	F	95.6	Very high	92.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-46.4	179.3	-170.5	-117.5	0	0	0	112.6	F752 L761 V763 L778 I781 L790 I804 A805 K806 G811 L812	F752-F808 HydrophobicContact CZ-CD2 4.26Å; F752-F808 HydrophobicContact CZ-CE2 4.32Å; L761-F808 HydrophobicContact CD1-CB 3.76Å; V763-F808 HydrophobicContact CG1-CE2 4.27Å; V763-F808 HydrophobicContact CG2-CD2 4.14Å; V763-F808 HydrophobicContact CG2-CE2 4.13Å; L778-F808 HydrophobicContact CD2-CB 3.61Å; L778-F808 HydrophobicContact CD2-CD1 3.8Å; L778-F808 HydrophobicContact CD2-CD2 3.67Å; L778-F808 HydrophobicContact CD2-CE1 4.35Å; L778-F808 HydrophobicContact CD2-CE2 4.26Å; L778-F808 HydrophobicContact CD2-CG 3.42Å; L778-F808 VanDerWaalsContact CD2-CG 3.42Å; I781-F808 HydrophobicContact CB-CD1 4.34Å; I781-F808 HydrophobicContact CB-CE1 4.33Å; I781-F808 HydrophobicContact CD1-CD1 4.37Å; I781-F808 HydrophobicContact CG2-CD1 3.81Å; I781-F808 HydrophobicContact CG2-CE1 3.83Å; L790-F808 HydrophobicContact CD2-CE2 4.35Å; L790-F808 HydrophobicContact CD2-CZ 4.48Å; I804-F808 VanDerWaalsContact O-CB 3.26Å; I804-F808 WeakPolarHBondContact O-CB 3.43Å; I804-F808 PolarHBondContact O-N 2.99Å; A805-F808 PolarHBondContact O-N 3.26Å; K806-F808 VanDerWaalsContact C-N 3.25Å; K806-F808 PolarHBondContact O-N 3.4Å; F808-G811 PolarHBondContact O-N 3.44Å; F808-L812 HydrophobicContact CD1-CD1 3.78Å; F808-L812 HydrophobicContact CD1-CG 4.46Å; F808-L812 HydrophobicContact CE1-CD1 3.47Å; F808-L812 VanDerWaalsContact CE1-CD1 3.47Å; F808-L812 HydrophobicContact CE1-CG 4.24Å; F808-L812 HydrophobicContact CG-CD1 4.47Å; F808-L812 HydrophobicContact CZ-CD1 3.9Å; F808-L812 HydrophobicContact CZ-CD2 4.38Å; F808-L812 HydrophobicContact CZ-CG 4.26Å; F808-L812 WeakPolarHBondContact O-CG 3.26Å; F808-L812 PolarHBondContact O-N 3.46Å
809	F	95.2	Very high	92.4	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-39.5	175.7	-89	-85.2	0	0	0	112.2	V704 A712 F714 I781 A805 K806 G811 L812 L813	V704-F809 HydrophobicContact CG1-CE2 4.31Å; V704-F809 HydrophobicContact CG1-CZ 4.15Å; A712-F809 HydrophobicContact CB-CE1 3.94Å; A712-F809 HydrophobicContact CB-CZ 3.97Å; F714-F809 HydrophobicContact CB-CE2 4.02Å; F714-F809 HydrophobicContact CB-CZ 4.49Å; F714-F809 HydrophobicContact CD1-CB 4.17Å; F714-F809 HydrophobicContact CD1-CD1 4.17Å; F714-F809 AromaticContact CD1-CD2 3.16Å; F714-F809 HydrophobicContact CD1-CD2 3.16Å; F714-F809 HydrophobicContact CD1-CE1 4.37Å; F714-F809 AromaticContact CD1-CE2 3.42Å; F714-F809 HydrophobicContact CD1-CE2 3.42Å; F714-F809 VanDerWaalsContact CD1-CE2 3.42Å; F714-F809 AromaticContact CD1-CG 3.58Å; F714-F809 HydrophobicContact CD1-CG 3.58Å; F714-F809 HydrophobicContact CD1-CZ 4.03Å; F714-F809 HydrophobicContact CE1-CB 3.64Å; F714-F809 HydrophobicContact CE1-CD1 4.42Å; F714-F809 AromaticContact CE1-CD2 3.49Å; F714-F809 HydrophobicContact CE1-CD2 3.49Å; F714-F809 VanDerWaalsContact CE1-CD2 3.49Å; F714-F809 HydrophobicContact CE1-CE2 4.22Å; F714-F809 AromaticContact CE1-CG 3.6Å; F714-F809 HydrophobicContact CE1-CG 3.6Å; F714-F809 HydrophobicContact CG-CD2 4.04Å; F714-F809 AromaticContact CG-CE2 4Å; F714-F809 HydrophobicContact CG-CE2 4Å; I781-F809 HydrophobicContact CD1-CE2 4.37Å; I781-F809 HydrophobicContact CG1-CE2 4.45Å; I781-F809 HydrophobicContact CG2-CD2 4.44Å; I781-F809 HydrophobicContact CG2-CE2 3.66Å; I781-F809 HydrophobicContact CG2-CZ 3.94Å; A805-F809 WeakPolarHBondContact O-CD2 3.13Å; A805-F809 PolarHBondContact O-N 2.73Å; K806-F809 PolarHBondContact O-N 3.49Å; F809-G811 VanDerWaalsContact C-N 3.3Å; F809-G811 PolarHBondContact O-N 3.14Å; F809-L812 PolarHBondContact O-N 3.1Å; F809-L813 WeakPolarHBondContact O-CB 3.47Å; F809-L813 WeakPolarHBondContact O-CD1 3.4Å; F809-L813 WeakPolarHBondContact O-CG 3.3Å; F809-L813 PolarHBondContact O-N 3.47Å
810	D	92.3	Very high	92.4	Very high	44 Å²	44	29.3 Å²	29.3	24%	0.235	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-39.2	176.9	-72.9	-18.2	0	0	0	111	K806 K814	K806-D810 VanDerWaalsContact CE-OD2 3.3Å; K806-D810 WeakPolarHBondContact CE-OD2 3.4Å; K806-D810 WeakPolarHBondContact CG-OD2 3.39Å; K806-D810 WeakPolarHBondContact O-CB 3.39Å; K806-D810 VanDerWaalsContact O-CG 3.26Å; K806-D810 PolarHBondContact O-N 3.23Å; D810-K814 WeakPolarHBondContact O-CB 3.5Å; D810-K814 VanDerWaalsContact O-CD 3.3Å; D810-K814 WeakPolarHBondContact O-CD 3.48Å; D810-K814 WeakPolarHBondContact O-CG 3.33Å; D810-K814 PolarHBondContact O-N 3.12Å
811	G	91.4	Very high	92.2	Very high	5 Å²	5	28.5 Å²	28.5	5%	0.052	14%	0.135	C	C	.	.	H	α-helix	trans	-68.3	-46.3	174.4	0	0	0	0	0	113.5	F752 A807 F808 F809 L813 K814 Q815	F752-G811 VanDerWaalsContact CE2-CA 3.46Å; A807-G811 PolarHBondContact O-N 3.36Å; F808-G811 PolarHBondContact O-N 3.44Å; F809-G811 VanDerWaalsContact C-N 3.3Å; F809-G811 PolarHBondContact O-N 3.14Å; G811-L813 PolarHBondContact O-N 3.33Å; G811-K814 PolarHBondContact O-N 3.44Å; G811-K814 VanDerWaalsContact O-N 3.14Å; G811-Q815 PolarHBondContact O-N 2.95Å
812	L	93.5	Very high	92	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-32.4	176.6	-75.7	176.9	0	0	0	113.5	V740 I748 F752 I787 F808 F809 Q815	V740-L812 HydrophobicContact CG1-CB 3.95Å; V740-L812 HydrophobicContact CG1-CD1 4.21Å; V740-L812 HydrophobicContact CG1-CD2 4.09Å; V740-L812 HydrophobicContact CG1-CG 4.32Å; V740-L812 HydrophobicContact CG2-CB 4.39Å; I748-L812 HydrophobicContact CG2-CD2 3.57Å; F752-L812 HydrophobicContact CE1-CD2 4.13Å; F752-L812 HydrophobicContact CZ-CD2 4.29Å; F752-L812 HydrophobicContact CZ-CG 4.27Å; I787-L812 HydrophobicContact CD1-CD1 4.35Å; I787-L812 HydrophobicContact CD1-CD2 3.89Å; F808-L812 HydrophobicContact CD1-CD1 3.78Å; F808-L812 HydrophobicContact CD1-CG 4.46Å; F808-L812 HydrophobicContact CE1-CD1 3.47Å; F808-L812 VanDerWaalsContact CE1-CD1 3.47Å; F808-L812 HydrophobicContact CE1-CG 4.24Å; F808-L812 HydrophobicContact CG-CD1 4.47Å; F808-L812 HydrophobicContact CZ-CD1 3.9Å; F808-L812 HydrophobicContact CZ-CD2 4.38Å; F808-L812 HydrophobicContact CZ-CG 4.26Å; F808-L812 WeakPolarHBondContact O-CG 3.26Å; F808-L812 PolarHBondContact O-N 3.46Å; F809-L812 PolarHBondContact O-N 3.1Å; L812-Q815 VanDerWaalsContact O-CG 3.26Å; L812-Q815 WeakPolarHBondContact O-CG 3.1Å; L812-Q815 PolarHBondContact O-NE2 2.94Å
813	L	91.4	Very high	91.9	Very high	63 Å²	63	28.6 Å²	28.6	33%	0.33	14%	0.136	S	C	.	.	H	α-helix	trans	-85.3	-15.6	-179.6	-67.5	167	0	0	0	113.5	K738 V740 F809 G811	K738-L813 HydrophobicContact CB-CD2 3.84Å; K738-L813 HydrophobicContact CD-CD1 3.35Å; K738-L813 HydrophobicContact CD-CD2 3.83Å; K738-L813 HydrophobicContact CD-CG 4.25Å; K738-L813 HydrophobicContact CG-CD2 4.48Å; V740-L813 HydrophobicContact CG2-CD2 4.38Å; F809-L813 WeakPolarHBondContact O-CB 3.47Å; F809-L813 WeakPolarHBondContact O-CD1 3.4Å; F809-L813 WeakPolarHBondContact O-CG 3.3Å; F809-L813 PolarHBondContact O-N 3.47Å; G811-L813 PolarHBondContact O-N 3.33Å
814	K	88.5	Confident	91.5	Very high	97 Å²	97	33.7 Å²	33.7	42%	0.422	16%	0.155	S	C	.	.	H	α-helix	trans	-94	-7	179.5	-76	170.5	-177.1	154.9	0	113.1	D810 G811 E871	D810-K814 WeakPolarHBondContact O-CB 3.5Å; D810-K814 VanDerWaalsContact O-CD 3.3Å; D810-K814 WeakPolarHBondContact O-CD 3.48Å; D810-K814 WeakPolarHBondContact O-CG 3.33Å; D810-K814 PolarHBondContact O-N 3.12Å; G811-K814 PolarHBondContact O-N 3.44Å; G811-K814 VanDerWaalsContact O-N 3.14Å; K814-E871 VanDerWaalsContact NZ-CG 3.28Å; K814-E871 IonicContact NZ-OE1 2.93Å; K814-E871 PolarHBondContact NZ-OE1 3.35Å
815	Q	87.2	Confident	91.1	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-60.2	143.1	177.1	73.8	-175.2	-43.7	0	0	110.9	E741 Y749 G811 L812	E741-Q815 PolarHBondContact O-NE2 3.25Å; Y749-Q815 VanDerWaalsContact N-OE1 3.1Å; G811-Q815 PolarHBondContact O-N 2.95Å; L812-Q815 VanDerWaalsContact O-CG 3.26Å; L812-Q815 WeakPolarHBondContact O-CG 3.1Å; L812-Q815 PolarHBondContact O-NE2 2.94Å
816	E	85.6	Confident	90.9	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-98.2	140	167.5	-59.5	179.3	153.4	0	0	109.6	Y749 Q750 Q820 L821 R824 R873	Y749-E816 WeakPolarHBondContact CB-O 3.34Å; Q750-E816 VanDerWaalsContact OE1-N 3.15Å; E816-Q820 HydrophobicContact CB-CB 4.24Å; E816-L821 WeakPolarHBondContact OE2-CD1 3.37Å; E816-R824 WeakPolarHBondContact OE1-CD 3.45Å; E816-R824 IonicContact OE1-CZ 2.88Å; E816-R824 IonicContact OE1-NE 3.67Å; E816-R824 PolarHBondContact OE1-NE 3.27Å; E816-R824 IonicContact OE1-NH2 3.29Å; E816-R824 IonicContact OE2-CZ 2.79Å; E816-R824 VanDerWaalsContact OE2-CZ 3.31Å; E816-R824 IonicContact OE2-NE 2.71Å; E816-R824 PolarHBondContact OE2-NE 3.1Å; E816-R824 IonicContact OE2-NH2 2.92Å; E816-R824 PolarHBondContact OE2-NH2 3.41Å; E816-R873 IonicContact OE1-CZ 3.31Å; E816-R873 IonicContact OE1-NE 3.05Å; E816-R873 PolarHBondContact OE1-NE 3.36Å; E816-R873 IonicContact OE1-NH1 2.75Å; E816-R873 PolarHBondContact OE1-NH1 3.1Å; E816-R873 IonicContact OE1-NH2 2.97Å; E816-R873 PolarHBondContact OE1-NH2 3.41Å
817	T	90.2	Very high	90.7	Very high	15 Å²	15	38.1 Å²	38.1	9%	0.092	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-67.8	159.1	167.7	61.7	0	0	0	0	110.5	E741 Y749 Q819 Q820 L821	E741-T817 WeakPolarHBondContact OE2-CG2 3.12Å; Y749-T817 HydrophobicContact CD2-CG2 4.47Å; Y749-T817 HydrophobicContact CE1-CG2 4.43Å; Y749-T817 HydrophobicContact CE2-CG2 4.21Å; T817-Q819 PolarHBondContact O-N 3.3Å; T817-Q819 VanDerWaalsContact O-N 3.14Å; T817-Q820 PolarHBondContact O-N 3.41Å; T817-Q820 VanDerWaalsContact O-N 3.16Å; T817-Q820 VanDerWaalsContact OG1-CG 3.32Å; T817-Q820 WeakPolarHBondContact OG1-CG 3.42Å; T817-Q820 PolarHBondContact OG1-N 2.84Å; T817-Q820 VanDerWaalsContact OG1-N 3.15Å; T817-L821 WeakPolarHBondContact O-CB 3.19Å; T817-L821 PolarHBondContact O-N 2.88Å
818	H	90.6	Very high	90.6	Very high	16 Å²	16	41.6 Å²	41.6	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-31.2	173.2	-62.5	-33.8	0	0	0	112.4	Y749 A822 V829 V843 A844	Y749-H818 AromaticContact CD1-CD2 3.71Å; Y749-H818 AromaticContact CD1-CE1 3.9Å; Y749-H818 AromaticContact CD1-CG 3.91Å; Y749-H818 AromaticContact CD1-NE2 3.71Å; Y749-H818 AromaticContact CE1-CD2 3.89Å; Y749-H818 PolarHBondContact O-CE1 3.11Å; H818-A822 WeakPolarHBondContact O-CB 3.43Å; H818-A822 PolarHBondContact O-N 2.94Å; H818-V829 HydrophobicContact CB-CG1 4.22Å; H818-V843 HydrophobicContact CB-CG1 4.17Å; H818-A844 VanDerWaalsContact C-CB 3.49Å; H818-A844 HydrophobicContact CB-CB 3.88Å; H818-A844 VanDerWaalsContact O-CB 3.26Å; H818-A844 WeakPolarHBondContact O-CB 3.42Å
819	Q	90	Very high	90.4	Very high	58 Å²	58	42.4 Å²	42.4	27%	0.271	20%	0.195	S	C	.	.	H	α-helix	trans	-70.1	-49.1	176.3	-170.4	57.8	33.4	0	0	112.2	T817 L821 A822 E823 K845	T817-Q819 PolarHBondContact O-N 3.3Å; T817-Q819 VanDerWaalsContact O-N 3.14Å; Q819-L821 VanDerWaalsContact C-N 3.26Å; Q819-L821 PolarHBondContact O-N 3.36Å; Q819-A822 PolarHBondContact O-N 3.38Å; Q819-E823 PolarHBondContact NE2-OE1 2.94Å; Q819-E823 WeakPolarHBondContact O-CG 3.36Å; Q819-E823 PolarHBondContact O-N 3.14Å; Q819-K845 PolarHBondContact NE2-O 3.41Å; Q819-K845 PolarHBondContact OE1-O 3.07Å
820	Q	89.9	Confident	90.1	Very high	87 Å²	87	44.8 Å²	44.8	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-37.9	176	-72.1	167.1	1.2	0	0	111.7	E816 T817 E823 R824	E816-Q820 HydrophobicContact CB-CB 4.24Å; T817-Q820 PolarHBondContact O-N 3.41Å; T817-Q820 VanDerWaalsContact O-N 3.16Å; T817-Q820 VanDerWaalsContact OG1-CG 3.32Å; T817-Q820 WeakPolarHBondContact OG1-CG 3.42Å; T817-Q820 PolarHBondContact OG1-N 2.84Å; T817-Q820 VanDerWaalsContact OG1-N 3.15Å; Q820-E823 PolarHBondContact O-N 2.81Å; Q820-R824 VanDerWaalsContact O-CB 3.3Å; Q820-R824 WeakPolarHBondContact O-CB 3.47Å; Q820-R824 PolarHBondContact O-N 2.99Å
821	L	88.7	Confident	89.9	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-45.9	175.9	-175.8	66.4	0	0	0	111.5	E816 T817 Q819 E823 R824 K825 V829 V865	E816-L821 WeakPolarHBondContact OE2-CD1 3.37Å; T817-L821 WeakPolarHBondContact O-CB 3.19Å; T817-L821 PolarHBondContact O-N 2.88Å; Q819-L821 VanDerWaalsContact C-N 3.26Å; Q819-L821 PolarHBondContact O-N 3.36Å; L821-E823 VanDerWaalsContact C-N 3.34Å; L821-E823 PolarHBondContact O-N 3Å; L821-R824 PolarHBondContact O-N 2.84Å; L821-K825 HydrophobicContact CD1-CD 4.3Å; L821-K825 HydrophobicContact CD1-CG 4.43Å; L821-K825 WeakPolarHBondContact O-CB 3.47Å; L821-K825 PolarHBondContact O-N 3.32Å; L821-V829 HydrophobicContact CB-CG2 4.3Å; L821-V829 HydrophobicContact CD2-CG2 3.94Å; L821-V829 HydrophobicContact CG-CG2 4.15Å; L821-V865 HydrophobicContact CD2-CG1 4Å; L821-V865 HydrophobicContact CD2-CG2 3.83Å
822	A	90.8	Very high	89.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-41.3	177.5	0	0	0	0	0	112	H818 Q819 R826 L827 V829 A844	H818-A822 WeakPolarHBondContact O-CB 3.43Å; H818-A822 PolarHBondContact O-N 2.94Å; Q819-A822 PolarHBondContact O-N 3.38Å; A822-R826 WeakPolarHBondContact O-CA 3.44Å; A822-R826 PolarHBondContact O-N 3.45Å; A822-L827 WeakPolarHBondContact CA-O 3.42Å; A822-L827 WeakPolarHBondContact CB-O 3.29Å; A822-L827 PolarHBondContact O-N 3.44Å; A822-V829 HydrophobicContact CB-CG2 4.01Å; A822-A844 HydrophobicContact CB-CB 3.99Å
823	E	91	Very high	89.1	Confident	74 Å²	74	53.9 Å²	53.9	35%	0.346	25%	0.246	S	C	.	.	H	α-helix	trans	-69	-44.8	177.7	-74.3	172	-169.5	0	0	112.5	Q819 Q820 L821 R826	Q819-E823 PolarHBondContact NE2-OE1 2.94Å; Q819-E823 WeakPolarHBondContact O-CG 3.36Å; Q819-E823 PolarHBondContact O-N 3.14Å; Q820-E823 PolarHBondContact O-N 2.81Å; L821-E823 VanDerWaalsContact C-N 3.34Å; L821-E823 PolarHBondContact O-N 3Å; E823-R826 PolarHBondContact O-N 3.21Å
824	R	88.2	Confident	88.6	Confident	106 Å²	106	58.7 Å²	58.7	40%	0.4	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-49.2	179.1	178	173.6	67.6	110.3	-4.4	111.6	E816 Q820 L821 R826 R873	E816-R824 WeakPolarHBondContact OE1-CD 3.45Å; E816-R824 IonicContact OE1-CZ 2.88Å; E816-R824 IonicContact OE1-NE 3.67Å; E816-R824 PolarHBondContact OE1-NE 3.27Å; E816-R824 IonicContact OE1-NH2 3.29Å; E816-R824 IonicContact OE2-CZ 2.79Å; E816-R824 VanDerWaalsContact OE2-CZ 3.31Å; E816-R824 IonicContact OE2-NE 2.71Å; E816-R824 PolarHBondContact OE2-NE 3.1Å; E816-R824 IonicContact OE2-NH2 2.92Å; E816-R824 PolarHBondContact OE2-NH2 3.41Å; Q820-R824 VanDerWaalsContact O-CB 3.3Å; Q820-R824 WeakPolarHBondContact O-CB 3.47Å; Q820-R824 PolarHBondContact O-N 2.99Å; L821-R824 PolarHBondContact O-N 2.84Å; R824-R826 VanDerWaalsContact C-N 3.33Å; R824-R873 VanDerWaalsContact CD-NH1 3.25Å
825	K	88.2	Confident	88.2	Confident	26 Å²	26	61.7 Å²	61.7	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-82.2	-11.8	-179.1	-71	-163.3	169.3	-168.1	0	113.1	L821 L827 R852 E862	L821-K825 HydrophobicContact CD1-CD 4.3Å; L821-K825 HydrophobicContact CD1-CG 4.43Å; L821-K825 WeakPolarHBondContact O-CB 3.47Å; L821-K825 PolarHBondContact O-N 3.32Å; K825-L827 HydrophobicContact CB-CB 4.26Å; K825-L827 HydrophobicContact CB-CD1 4.4Å; K825-L827 HydrophobicContact CB-CG 4.45Å; K825-L827 WeakPolarHBondContact O-CG 3.32Å; K825-L827 PolarHBondContact O-N 2.66Å; K825-R852 VanDerWaalsContact O-CZ 3.23Å; K825-R852 PolarHBondContact O-NE 3.21Å; K825-R852 PolarHBondContact O-NH2 3.11Å; K825-E862 PolarHBondContact NZ-O 2.85Å
826	R	91.6	Very high	87.9	Confident	141 Å²	141	64.8 Å²	64.8	53%	0.532	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	38.4	-172.3	-57.9	-178.6	-173.1	172.5	1.3	112.3	A822 E823 R824 A849 R852	A822-R826 WeakPolarHBondContact O-CA 3.44Å; A822-R826 PolarHBondContact O-N 3.45Å; E823-R826 PolarHBondContact O-N 3.21Å; R824-R826 VanDerWaalsContact C-N 3.33Å; R826-A849 HydrophobicContact CG-CB 3.89Å; R826-R852 HydrophobicContact CB-CG 3.93Å; R826-R852 PolarHBondContact O-N 3.17Å
827	L	91.4	Very high	87.9	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.147	32%	0.323	C	S	.	.	S	Bend	trans	-131.5	161	-177.7	-71.5	175.1	0	0	0	110.2	A822 K825 R852 I857 L863	A822-L827 WeakPolarHBondContact CA-O 3.42Å; A822-L827 WeakPolarHBondContact CB-O 3.29Å; A822-L827 PolarHBondContact O-N 3.44Å; K825-L827 HydrophobicContact CB-CB 4.26Å; K825-L827 HydrophobicContact CB-CD1 4.4Å; K825-L827 HydrophobicContact CB-CG 4.45Å; K825-L827 WeakPolarHBondContact O-CG 3.32Å; K825-L827 PolarHBondContact O-N 2.66Å; L827-R852 HydrophobicContact CD2-CB 3.94Å; L827-I857 HydrophobicContact CD1-CD1 4.05Å; L827-I857 HydrophobicContact CD1-CG1 4.37Å; L827-I857 HydrophobicContact CD2-CD1 4Å; L827-I857 HydrophobicContact CD2-CG1 4.41Å; L827-L863 HydrophobicContact CD1-CD2 3.77Å
828	L	91.1	Very high	87.7	Confident	74 Å²	74	73.1 Å²	73.1	39%	0.387	35%	0.345	S	S	.	.			trans	-77.6	133.7	174.7	-61.5	179.7	0	0	0	109.6	V830 V842 K845 L851	L828-V830 HydrophobicContact CB-CG2 4.19Å; L828-V842 HydrophobicContact CB-CG1 4.39Å; L828-V842 HydrophobicContact CD1-CG2 4.14Å; L828-V842 HydrophobicContact CD2-CG1 4.09Å; L828-K845 HydrophobicContact CD2-CB 3.57Å; L828-L851 HydrophobicContact CD1-CD2 4.19Å; L828-L851 HydrophobicContact CD2-CD1 3.79Å; L828-L851 HydrophobicContact CD2-CD2 4.5Å; L828-L851 HydrophobicContact CG-CD1 3.73Å; L828-L851 HydrophobicContact CG-CD2 3.96Å
829	V	90.9	Very high	87.6	Confident	16 Å²	16	78.2 Å²	78.2	10%	0.097	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.7	169.1	179	0	0	0	0	107.8	H818 L821 A822 V843 A844	H818-V829 HydrophobicContact CB-CG1 4.22Å; L821-V829 HydrophobicContact CB-CG2 4.3Å; L821-V829 HydrophobicContact CD2-CG2 3.94Å; L821-V829 HydrophobicContact CG-CG2 4.15Å; A822-V829 HydrophobicContact CB-CG2 4.01Å; V829-V843 PolarHBondContact O-N 3.03Å; V829-A844 HydrophobicContact CB-CB 4.24Å; V829-A844 HydrophobicContact CG2-CB 4.49Å; V829-A844 PolarHBondContact N-O 3.49Å; V829-A844 PolarHBondContact O-N 3.25Å
830	V	90.7	Very high	87.6	Confident	56 Å²	56	79.6 Å²	79.6	34%	0.339	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.5	-175.2	-175.6	0	0	0	0	109.6	L828 F832 P840 R841	L828-V830 HydrophobicContact CB-CG2 4.19Å; V830-F832 HydrophobicContact CB-CE2 4.46Å; V830-F832 HydrophobicContact CG1-CE2 3.97Å; V830-F832 HydrophobicContact CG1-CZ 3.98Å; V830-P840 HydrophobicContact CG1-CB 3.43Å; V830-P840 VanDerWaalsContact CG1-CB 3.43Å; V830-R841 CarbonylContact C-O 3.28Å; V830-R841 WeakPolarHBondContact CA-O 3.35Å
831	E	86.7	Confident	87.6	Confident	59 Å²	59	81.8 Å²	81.8	28%	0.276	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.4	175.6	-174.9	-174.4	-172.1	0	0	110.1	R833 R841 V843	E831-R833 HydrophobicContact CG-CG 4.05Å; E831-R833 IonicContact OE1-CZ 3.77Å; E831-R833 VanDerWaalsContact OE1-CZ 3.25Å; E831-R833 IonicContact OE1-NE 3.26Å; E831-R833 PolarHBondContact OE1-NE 3.39Å; E831-R833 IonicContact OE1-NH2 2.79Å; E831-R833 PolarHBondContact OE1-NH2 2.93Å; E831-R833 IonicContact OE2-CZ 3.14Å; E831-R833 IonicContact OE2-NE 2.62Å; E831-R833 PolarHBondContact OE2-NE 3.1Å; E831-R833 IonicContact OE2-NH2 3.27Å; E831-R833 PolarHBondContact OE2-NH2 2.88Å; E831-R841 PolarHBondContact N-O 3.25Å; E831-R841 PolarHBondContact O-N 3.38Å; E831-V843 HydrophobicContact CB-CG2 3.49Å; E831-V843 VanDerWaalsContact CB-CG2 3.49Å
832	F	86.8	Confident	87.7	Confident	126 Å²	126	85.2 Å²	85.2	55%	0.553	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.7	176.1	-64.7	-85.7	0	0	0	109.6	V830 Y838 P840	V830-F832 HydrophobicContact CB-CE2 4.46Å; V830-F832 HydrophobicContact CG1-CE2 3.97Å; V830-F832 HydrophobicContact CG1-CZ 3.98Å; F832-Y838 HydrophobicContact CB-CD1 4.4Å; F832-Y838 WeakPolarHBondContact CD1-O 3.21Å; F832-P840 HydrophobicContact CD1-CB 4.38Å; F832-P840 HydrophobicContact CE1-CB 3.68Å; F832-P840 HydrophobicContact CE1-CG 4.41Å; F832-P840 HydrophobicContact CZ-CB 4.05Å
833	R	81.5	Confident	87.6	Confident	55 Å²	55	87.8 Å²	87.8	21%	0.208	43%	0.427	C	S	.	.			trans	-99.5	135.5	178.1	-65.7	-172.2	179.8	-152.5	-10.6	111.4	Q744 E831 E835 L836 Y838	Q744-R833 VanDerWaalsContact NE2-NH2 3.16Å; E831-R833 HydrophobicContact CG-CG 4.05Å; E831-R833 IonicContact OE1-CZ 3.77Å; E831-R833 VanDerWaalsContact OE1-CZ 3.25Å; E831-R833 IonicContact OE1-NE 3.26Å; E831-R833 PolarHBondContact OE1-NE 3.39Å; E831-R833 IonicContact OE1-NH2 2.79Å; E831-R833 PolarHBondContact OE1-NH2 2.93Å; E831-R833 IonicContact OE2-CZ 3.14Å; E831-R833 IonicContact OE2-NE 2.62Å; E831-R833 PolarHBondContact OE2-NE 3.1Å; E831-R833 IonicContact OE2-NH2 3.27Å; E831-R833 PolarHBondContact OE2-NH2 2.88Å; R833-E835 PolarHBondContact O-N 2.95Å; R833-L836 HydrophobicContact CB-CB 4.44Å; R833-L836 HydrophobicContact CB-CD1 4.3Å; R833-L836 HydrophobicContact CB-CG 4.29Å; R833-L836 PolarHBondContact O-N 3.21Å; R833-L836 VanDerWaalsContact O-N 3.14Å; R833-Y838 WeakPolarHBondContact O-CA 3.17Å; R833-Y838 PolarHBondContact O-N 3.41Å
834	K	81	Confident	87.7	Confident	165 Å²	165	84.6 Å²	84.6	72%	0.717	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.3	172.1	-172.4	178.9	-175.5	-175.8	0	112.2	L836 G837 Y838	K834-L836 PolarHBondContact O-N 3.29Å; K834-G837 PolarHBondContact O-N 3.2Å; K834-G837 VanDerWaalsContact O-N 3.14Å; K834-Y838 HydrophobicContact CB-CE1 4.16Å; K834-Y838 HydrophobicContact CB-CE2 4.43Å; K834-Y838 HydrophobicContact CG-CE2 4.15Å
835	E	80.8	Confident	87.9	Confident	159 Å²	159	85.8 Å²	85.8	74%	0.743	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-61.1	-30	178.6	-65.5	151.3	-169	0	0	113.2	R833	R833-E835 PolarHBondContact O-N 2.95Å
836	L	80.9	Confident	88.1	Confident	83 Å²	83	85.3 Å²	85.3	44%	0.435	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-99	17	-179.4	-60.7	175.1	0	0	0	111.9	R833 K834 Y838 L839	R833-L836 HydrophobicContact CB-CB 4.44Å; R833-L836 HydrophobicContact CB-CD1 4.3Å; R833-L836 HydrophobicContact CB-CG 4.29Å; R833-L836 PolarHBondContact O-N 3.21Å; R833-L836 VanDerWaalsContact O-N 3.14Å; K834-L836 PolarHBondContact O-N 3.29Å; L836-Y838 VanDerWaalsContact C-N 3.25Å; L836-Y838 PolarHBondContact O-N 2.86Å; L836-L839 WeakPolarHBondContact O-CB 3.35Å; L836-L839 WeakPolarHBondContact O-CG 3.27Å; L836-L839 PolarHBondContact O-N 3.37Å
837	G	84.9	Confident	88	Confident	58 Å²	58	84.2 Å²	84.2	60%	0.598	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.2	-176.5	0	0	0	0	0	113.7	K834 L839	K834-G837 PolarHBondContact O-N 3.2Å; K834-G837 VanDerWaalsContact O-N 3.14Å; G837-L839 PolarHBondContact O-N 3.05Å
838	Y	86.5	Confident	87.7	Confident	141 Å²	141	90.5 Å²	90.5	55%	0.553	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	28.3	-173.6	-54.7	-83	0	0	0	114.1	F832 R833 K834 L836	F832-Y838 HydrophobicContact CB-CD1 4.4Å; F832-Y838 WeakPolarHBondContact CD1-O 3.21Å; R833-Y838 WeakPolarHBondContact O-CA 3.17Å; R833-Y838 PolarHBondContact O-N 3.41Å; K834-Y838 HydrophobicContact CB-CE1 4.16Å; K834-Y838 HydrophobicContact CB-CE2 4.43Å; K834-Y838 HydrophobicContact CG-CE2 4.15Å; L836-Y838 VanDerWaalsContact C-N 3.25Å; L836-Y838 PolarHBondContact O-N 2.86Å
839	L	88.3	Confident	87.3	Confident	123 Å²	123	88.5 Å²	88.5	64%	0.644	45%	0.453	S	S	*	.			trans	-69.5	134.6	168.5	-70	170.5	0	0	0	110.3	L836 G837 R841	L836-L839 WeakPolarHBondContact O-CB 3.35Å; L836-L839 WeakPolarHBondContact O-CG 3.27Å; L836-L839 PolarHBondContact O-N 3.37Å; G837-L839 PolarHBondContact O-N 3.05Å; L839-R841 PolarHBondContact O-N 3.43Å
840	P	90.9	Very high	87.1	Confident	86 Å²	86	96.3 Å²	96.3	56%	0.558	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.2	-178.7	25.4	-32.1	0	0	0	110.8	V830 F832	V830-P840 HydrophobicContact CG1-CB 3.43Å; V830-P840 VanDerWaalsContact CG1-CB 3.43Å; F832-P840 HydrophobicContact CD1-CB 4.38Å; F832-P840 HydrophobicContact CE1-CB 3.68Å; F832-P840 HydrophobicContact CE1-CG 4.41Å; F832-P840 HydrophobicContact CZ-CB 4.05Å
841	R	88.8	Confident	87.1	Confident	134 Å²	134	97.9 Å²	97.9	51%	0.506	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.2	171.1	-178.3	-176.8	177.2	-177	1.1	110	V830 E831 L839 V843	V830-R841 CarbonylContact C-O 3.28Å; V830-R841 WeakPolarHBondContact CA-O 3.35Å; E831-R841 PolarHBondContact N-O 3.25Å; E831-R841 PolarHBondContact O-N 3.38Å; L839-R841 PolarHBondContact O-N 3.43Å; R841-V843 PolarHBondContact O-N 2.74Å
842	V	90.9	Very high	87.3	Confident	78 Å²	78	97.1 Å²	97.1	47%	0.473	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.1	171.5	-177.3	0	0	0	0	109	L828	L828-V842 HydrophobicContact CB-CG1 4.39Å; L828-V842 HydrophobicContact CD1-CG2 4.14Å; L828-V842 HydrophobicContact CD2-CG1 4.09Å
843	V	89.7	Confident	87.3	Confident	56 Å²	56	93.4 Å²	93.4	34%	0.339	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-39.9	179.1	179.8	0	0	0	0	111.1	H818 V829 E831 R841	H818-V843 HydrophobicContact CB-CG1 4.17Å; V829-V843 PolarHBondContact O-N 3.03Å; E831-V843 HydrophobicContact CB-CG2 3.49Å; E831-V843 VanDerWaalsContact CB-CG2 3.49Å; R841-V843 PolarHBondContact O-N 2.74Å
844	A	91.8	Very high	87.5	Confident	7 Å²	7	97.7 Å²	97.7	6%	0.058	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	147.1	178.1	0	0	0	0	0	111	H818 A822 V829	H818-A844 VanDerWaalsContact C-CB 3.49Å; H818-A844 HydrophobicContact CB-CB 3.88Å; H818-A844 VanDerWaalsContact O-CB 3.26Å; H818-A844 WeakPolarHBondContact O-CB 3.42Å; A822-A844 HydrophobicContact CB-CB 3.99Å; V829-A844 HydrophobicContact CB-CB 4.24Å; V829-A844 HydrophobicContact CG2-CB 4.49Å; V829-A844 PolarHBondContact N-O 3.49Å; V829-A844 PolarHBondContact O-N 3.25Å
845	K	91.9	Very high	87.7	Confident	131 Å²	131	95 Å²	95	57%	0.57	51%	0.508	S	S	*	.			trans	-130.1	146	174.7	64.6	177.1	-176.9	173.9	0	109.4	Q819 L828 L847	Q819-K845 PolarHBondContact NE2-O 3.41Å; Q819-K845 PolarHBondContact OE1-O 3.07Å; L828-K845 HydrophobicContact CD2-CB 3.57Å; K845-L847 PolarHBondContact O-N 3.25Å
846	P	93	Very high	88.1	Confident	16 Å²	16	92.4 Å²	92.4	10%	0.104	50%	0.496	C	S	.	.			trans	-61.5	130.4	173.8	26.2	-32.8	0	0	0	109.4	A849 L851	P846-A849 HydrophobicContact CB-CB 4.27Å; P846-L851 HydrophobicContact CG-CD1 3.9Å
847	L	89.1	Confident	88.4	Confident	117 Å²	117	90.1 Å²	90.1	61%	0.613	48%	0.483	S	S	*	.	S	Bend	trans	-83.9	-39.6	-178.6	-71.5	167.2	0	0	0	112.2	K845	K845-L847 PolarHBondContact O-N 3.25Å
848	N	86.7	Confident	88.4	Confident	160 Å²	160	93.3 Å²	93.3	86%	0.856	48%	0.483	S	S	*	.	S	Bend	trans	-112.2	-7.8	-170.7	-62.1	-21.7	0	0	0	113.9
849	A	82	Confident	88.2	Confident	33 Å²	33	93.3 Å²	93.3	27%	0.273	50%	0.5	S	S	.	.	S	Bend	trans	-117.3	140.4	-176.8	0	0	0	0	0	110.1	R826 P846	R826-A849 HydrophobicContact CG-CB 3.89Å; P846-A849 HydrophobicContact CB-CB 4.27Å
850	E	87.1	Confident	88	Confident	179 Å²	179	93.4 Å²	93.4	84%	0.836	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-64.7	146.6	171.6	-66	-178.7	175.7	0	0	110.4
851	L	89.8	Confident	87.6	Confident	89 Å²	89	91.7 Å²	91.7	47%	0.466	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-73.7	128.3	-178.8	-161.3	77.6	0	0	0	109.4	L828 P846	L828-L851 HydrophobicContact CD1-CD2 4.19Å; L828-L851 HydrophobicContact CD2-CD1 3.79Å; L828-L851 HydrophobicContact CD2-CD2 4.5Å; L828-L851 HydrophobicContact CG-CD1 3.73Å; L828-L851 HydrophobicContact CG-CD2 3.96Å; P846-L851 HydrophobicContact CG-CD1 3.9Å
852	R	90.3	Very high	87.1	Confident	44 Å²	44	88.6 Å²	88.6	17%	0.166	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-60.5	138.9	173.9	-74.7	-164.5	-73.2	161.6	-3.6	110.6	K825 R826 L827 E856 E861	K825-R852 VanDerWaalsContact O-CZ 3.23Å; K825-R852 PolarHBondContact O-NE 3.21Å; K825-R852 PolarHBondContact O-NH2 3.11Å; R826-R852 HydrophobicContact CB-CG 3.93Å; R826-R852 PolarHBondContact O-N 3.17Å; L827-R852 HydrophobicContact CD2-CB 3.94Å; R852-E856 HydrophobicContact CB-CB 4.13Å; R852-E856 HydrophobicContact CG-CB 4.25Å; R852-E856 VanDerWaalsContact CG-OE2 3.3Å; R852-E856 WeakPolarHBondContact CG-OE2 3.38Å; R852-E856 PolarHBondContact NH1-O 2.85Å; R852-E861 IonicContact CZ-OE1 3.94Å; R852-E861 IonicContact CZ-OE2 2.87Å; R852-E861 VanDerWaalsContact CZ-OE2 3.29Å; R852-E861 IonicContact NH1-OE2 3.8Å; R852-E861 PolarHBondContact NH1-OE2 2.85Å; R852-E861 VanDerWaalsContact NH2-CD 3.31Å; R852-E861 IonicContact NH2-OE1 3.21Å; R852-E861 PolarHBondContact NH2-OE1 2.96Å; R852-E861 IonicContact NH2-OE2 3.3Å; R852-E861 PolarHBondContact NH2-OE2 3.18Å
853	S	87.7	Confident	86.7	Confident	48 Å²	48	89.3 Å²	89.3	34%	0.336	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-72.6	158.6	166.6	63.2	0	0	0	0	110.9	S855 E856	S853-S855 PolarHBondContact O-N 3.43Å; S853-S855 VanDerWaalsContact O-N 3.15Å; S853-S855 PolarHBondContact OG-OG 3.02Å; S853-E856 PolarHBondContact N-OE1 2.78Å; S853-E856 PolarHBondContact O-N 3.02Å; S853-E856 WeakPolarHBondContact OG-CG 3.49Å; S853-E856 PolarHBondContact OG-OE1 2.97Å
854	D	85.3	Confident	86.3	Confident	144 Å²	144	91 Å²	91	77%	0.77	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.4	177.8	-164.4	51.1	0	0	0	112.1	E856 I857	D854-E856 VanDerWaalsContact C-N 3.29Å; D854-E856 PolarHBondContact O-N 3.49Å; D854-I857 PolarHBondContact O-N 2.86Å
855	S	86.1	Confident	85.7	Confident	110 Å²	110	92 Å²	92	77%	0.769	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.2	174.8	38.9	0	0	0	0	115.4	S853	S853-S855 PolarHBondContact O-N 3.43Å; S853-S855 VanDerWaalsContact O-N 3.15Å; S853-S855 PolarHBondContact OG-OG 3.02Å
856	E	88.6	Confident	84.9	Confident	104 Å²	104	90 Å²	90	49%	0.486	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-94.8	-1.8	178.9	-69	162.6	-125.1	0	0	113	R852 S853 D854	R852-E856 HydrophobicContact CB-CB 4.13Å; R852-E856 HydrophobicContact CG-CB 4.25Å; R852-E856 VanDerWaalsContact CG-OE2 3.3Å; R852-E856 WeakPolarHBondContact CG-OE2 3.38Å; R852-E856 PolarHBondContact NH1-O 2.85Å; S853-E856 PolarHBondContact N-OE1 2.78Å; S853-E856 PolarHBondContact O-N 3.02Å; S853-E856 WeakPolarHBondContact OG-CG 3.49Å; S853-E856 PolarHBondContact OG-OE1 2.97Å; D854-E856 VanDerWaalsContact C-N 3.29Å; D854-E856 PolarHBondContact O-N 3.49Å
857	I	87.5	Confident	84.2	Confident	34 Å²	34	90.8 Å²	90.8	17%	0.174	49%	0.491	C	S	.	.	S	Bend	trans	-85.9	119.5	178	-56.6	177.1	0	0	0	107.8	L827 D854 E861 L863	L827-I857 HydrophobicContact CD1-CD1 4.05Å; L827-I857 HydrophobicContact CD1-CG1 4.37Å; L827-I857 HydrophobicContact CD2-CD1 4Å; L827-I857 HydrophobicContact CD2-CG1 4.41Å; D854-I857 PolarHBondContact O-N 2.86Å; I857-E861 HydrophobicContact CG2-CB 4.38Å; I857-L863 HydrophobicContact CD1-CD1 4.47Å; I857-L863 HydrophobicContact CG2-CD1 4.33Å; I857-L863 HydrophobicContact CG2-CD2 4.1Å
858	E	84.4	Confident	83.5	Confident	126 Å²	126	86.8 Å²	86.8	59%	0.589	47%	0.471	S	S	*	.			trans	-66.9	137.2	175.9	-63.7	-176.4	156.2	0	0	109.4	D860 E861	E858-D860 WeakPolarHBondContact CB-OD1 3.48Å; E858-D860 PolarHBondContact O-N 3.5Å; E858-D860 VanDerWaalsContact O-N 3.1Å; E858-E861 HydrophobicContact CB-CB 4.42Å; E858-E861 VanDerWaalsContact O-CB 3.32Å; E858-E861 WeakPolarHBondContact O-CB 3.33Å; E858-E861 PolarHBondContact O-N 3.38Å
859	P	83.3	Confident	82.9	Confident	140 Å²	140	80.5 Å²	80.5	91%	0.909	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.9	-174.3	23.2	-32.1	0	0	0	114
860	D	82.6	Confident	82.5	Confident	125 Å²	125	79.7 Å²	79.7	67%	0.668	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.6	174.1	60.4	-47.4	0	0	0	113.9	E858 E862	E858-D860 WeakPolarHBondContact CB-OD1 3.48Å; E858-D860 PolarHBondContact O-N 3.5Å; E858-D860 VanDerWaalsContact O-N 3.1Å; D860-E862 PolarHBondContact O-N 3.46Å
861	E	82.7	Confident	81.4	Confident	50 Å²	50	77.4 Å²	77.4	23%	0.234	42%	0.419	C	S	.	.			trans	-73	113.4	177.4	-167	-179.6	166.1	0	0	111	R852 I857 E858 L863	R852-E861 IonicContact CZ-OE1 3.94Å; R852-E861 IonicContact CZ-OE2 2.87Å; R852-E861 VanDerWaalsContact CZ-OE2 3.29Å; R852-E861 IonicContact NH1-OE2 3.8Å; R852-E861 PolarHBondContact NH1-OE2 2.85Å; R852-E861 VanDerWaalsContact NH2-CD 3.31Å; R852-E861 IonicContact NH2-OE1 3.21Å; R852-E861 PolarHBondContact NH2-OE1 2.96Å; R852-E861 IonicContact NH2-OE2 3.3Å; R852-E861 PolarHBondContact NH2-OE2 3.18Å; I857-E861 HydrophobicContact CG2-CB 4.38Å; E858-E861 HydrophobicContact CB-CB 4.42Å; E858-E861 VanDerWaalsContact O-CB 3.32Å; E858-E861 WeakPolarHBondContact O-CB 3.33Å; E858-E861 PolarHBondContact O-N 3.38Å; E861-L863 PolarHBondContact O-N 3.26Å
862	E	78.7	Confident	80.1	Confident	69 Å²	69	76 Å²	76	32%	0.322	43%	0.426	S	S	.	.			trans	-72.1	112.2	177.4	-71.3	-174.3	-175.1	0	0	111.3	K825 D860 P875 R877	K825-E862 PolarHBondContact NZ-O 2.85Å; D860-E862 PolarHBondContact O-N 3.46Å; E862-P875 WeakPolarHBondContact OE1-CG 3.5Å; E862-P875 WeakPolarHBondContact OE2-CB 3.31Å; E862-P875 WeakPolarHBondContact OE2-CG 3.33Å; E862-R877 IonicContact OE1-NH2 3.51Å
863	L	81.7	Confident	79.1	Confident	93 Å²	93	80 Å²	80	49%	0.487	44%	0.441	S	S	.	.			trans	-85.3	-17	-179.2	-60.7	179.7	0	0	0	113.9	L827 I857 E861 V865	L827-L863 HydrophobicContact CD1-CD2 3.77Å; I857-L863 HydrophobicContact CD1-CD1 4.47Å; I857-L863 HydrophobicContact CG2-CD1 4.33Å; I857-L863 HydrophobicContact CG2-CD2 4.1Å; E861-L863 PolarHBondContact O-N 3.26Å; L863-V865 PolarHBondContact O-N 2.72Å
864	D	82.2	Confident	78.2	Confident	92 Å²	92	86 Å²	86	49%	0.492	46%	0.458	S	S	.	.			trans	-74.1	124	-177.1	-165.8	-4	0	0	0	112	D866 Y869	D864-D866 WeakPolarHBondContact OD1-CB 3.44Å; D864-D866 PolarHBondContact OD1-N 3.39Å; D864-Y869 PolarHBondContact O-OH 2.99Å
865	V	79.1	Confident	77.7	Confident	28 Å²	28	80.8 Å²	80.8	17%	0.17	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.2	179.8	-171.7	0	0	0	0	111.3	Q750 L821 L863 S867	Q750-V865 HydrophobicContact CG-CG1 4.34Å; L821-V865 HydrophobicContact CD2-CG1 4Å; L821-V865 HydrophobicContact CD2-CG2 3.83Å; L863-V865 PolarHBondContact O-N 2.72Å; V865-S867 PolarHBondContact O-N 3.03Å
866	D	76	Confident	77.4	Confident	88 Å²	88	78.9 Å²	78.9	47%	0.471	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.6	-177.2	-67.3	-22.9	0	0	0	113.1	R765 D864	R765-D866 IonicContact CZ-OD1 2.58Å; R765-D866 IonicContact NE-OD1 3.89Å; R765-D866 IonicContact NH2-OD1 3.16Å; R765-D866 PolarHBondContact NH2-OD1 3.47Å; D864-D866 WeakPolarHBondContact OD1-CB 3.44Å; D864-D866 PolarHBondContact OD1-N 3.39Å
867	S	77.4	Confident	76.7	Confident	33 Å²	33	83.4 Å²	83.4	23%	0.231	42%	0.42	C	S	.	.	S	Bend	trans	-63.5	139.9	171.2	-73.1	0	0	0	0	111.4	V865 Y869	V865-S867 PolarHBondContact O-N 3.03Å; S867-Y869 WeakPolarHBondContact O-CD2 3.48Å; S867-Y869 WeakPolarHBondContact O-CE2 3.07Å; S867-Y869 PolarHBondContact O-N 3.1Å
868	L	74.7	Confident	75.9	Confident	34 Å²	34	87.6 Å²	87.6	18%	0.178	43%	0.434	C	S	.	.			trans	-74.3	109.5	177.7	-75.7	158.5	0	0	0	110.1	D751 F752 W753 F762 V763 Q764 P875 Y876	D751-L868 HydrophobicContact CB-CD2 4.01Å; D751-L868 WeakPolarHBondContact O-CA 3.45Å; F752-L868 WeakPolarHBondContact O-CD2 3.35Å; W753-L868 HydrophobicContact CB-CB 4.45Å; F762-L868 HydrophobicContact CD1-CD1 4.17Å; V763-L868 WeakPolarHBondContact O-CD2 3.45Å; Q764-L868 HydrophobicContact CG-CD2 4.49Å; L868-P875 CarbonylContact O-C 3.56Å; L868-Y876 WeakPolarHBondContact O-CB 3.35Å; L868-Y876 PolarHBondContact O-N 3.18Å
869	Y	73.7	Confident	75.4	Confident	28 Å²	28	92.2 Å²	92.2	11%	0.11	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-88.5	136.9	-179.7	-69	-85.7	0	0	0	112.7	D751 F752 W753 D864 S867 R873	D751-Y869 PolarHBondContact O-N 3.34Å; F752-Y869 WeakPolarHBondContact CA-O 3.42Å; F752-Y869 WeakPolarHBondContact CB-O 3.14Å; W753-Y869 PolarHBondContact N-O 3.01Å; D864-Y869 PolarHBondContact O-OH 2.99Å; S867-Y869 WeakPolarHBondContact O-CD2 3.48Å; S867-Y869 WeakPolarHBondContact O-CE2 3.07Å; S867-Y869 PolarHBondContact O-N 3.1Å; Y869-R873 WeakPolarHBondContact CD1-O 3.43Å
870	G	73.4	Confident	75	Confident	16 Å²	16	91.2 Å²	91.2	17%	0.165	44%	0.44	C	S	.	.			trans	-106.1	-167.2	177.9	0	0	0	0	0	115.1	G872 R873 Y874	G870-G872 PolarHBondContact O-N 2.97Å; G870-R873 PolarHBondContact O-N 3.32Å; G870-Y874 PolarHBondContact N-O 3.38Å
871	E	63.9	Low	74.6	Confident	130 Å²	130	94.6 Å²	94.6	61%	0.607	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	127.1	168.8	-72.3	-162.8	156.3	0	0	110.6	K814	K814-E871 VanDerWaalsContact NZ-CG 3.28Å; K814-E871 IonicContact NZ-OE1 2.93Å; K814-E871 PolarHBondContact NZ-OE1 3.35Å
872	G	62.6	Low	74.3	Confident	59 Å²	59	98.8 Å²	98.8	61%	0.608	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	3.4	-174.5	0	0	0	0	0	115.1	G870 Y874	G870-G872 PolarHBondContact O-N 2.97Å; G872-Y874 VanDerWaalsContact C-N 3.3Å; G872-Y874 WeakPolarHBondContact O-CE2 3.34Å; G872-Y874 PolarHBondContact O-N 3Å
873	R	68.6	Low	74.3	Confident	130 Å²	130	97.9 Å²	97.9	49%	0.491	46%	0.463	S	S	.	.	S	Bend	trans	64.3	30.6	176.7	-51.2	179	-177.4	166.1	3.7	114.1	E816 R824 Y869 G870	E816-R873 IonicContact OE1-CZ 3.31Å; E816-R873 IonicContact OE1-NE 3.05Å; E816-R873 PolarHBondContact OE1-NE 3.36Å; E816-R873 IonicContact OE1-NH1 2.75Å; E816-R873 PolarHBondContact OE1-NH1 3.1Å; E816-R873 IonicContact OE1-NH2 2.97Å; E816-R873 PolarHBondContact OE1-NH2 3.41Å; R824-R873 VanDerWaalsContact CD-NH1 3.25Å; Y869-R873 WeakPolarHBondContact CD1-O 3.43Å; G870-R873 PolarHBondContact O-N 3.32Å
874	Y	70.3	Confident	74.2	Confident	174 Å²	174	102.5 Å²	102.5	68%	0.682	48%	0.479	S	S	*	.			trans	-89.1	141.2	169	-60.7	-76.1	0	0	0	110.4	G870 G872	G870-Y874 PolarHBondContact N-O 3.38Å; G872-Y874 VanDerWaalsContact C-N 3.3Å; G872-Y874 WeakPolarHBondContact O-CE2 3.34Å; G872-Y874 PolarHBondContact O-N 3Å
875	P	73.7	Confident	74.1	Confident	34 Å²	34	106.2 Å²	106.2	22%	0.221	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-62.4	138.2	171.9	31.5	-41.1	0	0	0	110.2	E862 L868 R877	E862-P875 WeakPolarHBondContact OE1-CG 3.5Å; E862-P875 WeakPolarHBondContact OE2-CB 3.31Å; E862-P875 WeakPolarHBondContact OE2-CG 3.33Å; L868-P875 CarbonylContact O-C 3.56Å; P875-R877 PolarHBondContact O-N 3.04Å; P875-R877 VanDerWaalsContact O-N 3.14Å
876	Y	79.6	Confident	73.9	Confident	69 Å²	69	108.8 Å²	108.8	27%	0.271	50%	0.499	S	S	.	.			trans	-70	111.8	177.5	174.5	-103.4	0	0	0	110.5	W753 F762 L868 R878	W753-Y876 HydrophobicContact CD2-CD2 4.01Å; W753-Y876 HydrophobicContact CD2-CE2 4.46Å; W753-Y876 HydrophobicContact CE3-CD2 4.37Å; W753-Y876 HydrophobicContact CG-CD2 4.12Å; W753-Y876 HydrophobicContact CG-CG 4.48Å; F762-Y876 HydrophobicContact CD1-CE1 4.38Å; F762-Y876 AromaticContact CE1-CD1 3.89Å; F762-Y876 HydrophobicContact CE1-CD1 3.89Å; F762-Y876 HydrophobicContact CE1-CD2 4.32Å; F762-Y876 AromaticContact CE1-CE1 3.47Å; F762-Y876 HydrophobicContact CE1-CE1 3.47Å; F762-Y876 VanDerWaalsContact CE1-CE1 3.47Å; F762-Y876 AromaticContact CE1-CE2 3.97Å; F762-Y876 HydrophobicContact CE1-CE2 3.97Å; F762-Y876 HydrophobicContact CE1-CG 4.28Å; F762-Y876 AromaticContact CE1-CZ 3.52Å; F762-Y876 HydrophobicContact CZ-CE1 4.18Å; F762-Y876 HydrophobicContact CZ-CE2 4.36Å; F762-Y876 AromaticContact CZ-CZ 3.86Å; L868-Y876 WeakPolarHBondContact O-CB 3.35Å; L868-Y876 PolarHBondContact O-N 3.18Å; Y876-R878 HydrophobicContact CE1-CB 3.64Å; Y876-R878 HydrophobicContact CE1-CG 4.13Å
877	R	74.3	Confident	73.5	Confident	199 Å²	199	111.8 Å²	111.8	75%	0.751	51%	0.514	S	S	*	.			trans	-96.4	105.4	169.4	-68	-173.2	179.8	-178.5	1.6	110	E862 P875 R879	E862-R877 IonicContact OE1-NH2 3.51Å; P875-R877 PolarHBondContact O-N 3.04Å; P875-R877 VanDerWaalsContact O-N 3.14Å; R877-R879 PolarHBondContact O-N 2.86Å
878	R	71.5	Confident	72.7	Confident	122 Å²	122	114.8 Å²	114.8	46%	0.46	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63.2	121.2	174.1	-165.9	177.7	-167.7	171.6	11.4	108.9	E795 Y876	E795-R878 IonicContact OE1-NH2 3.49Å; Y876-R878 HydrophobicContact CE1-CB 3.64Å; Y876-R878 HydrophobicContact CE1-CG 4.13Å
879	R	74.6	Confident	71.2	Confident	224 Å²	224	125.8 Å²	125.8	85%	0.845	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-56	132.3	170.6	-67.9	-174.8	-178.8	-172.4	-0.1	108.8	R877 R881	R877-R879 PolarHBondContact O-N 2.86Å; R879-R881 PolarHBondContact O-N 3.39Å
880	P	74.6	Confident	71	Confident	119 Å²	119	130.7 Å²	130.7	77%	0.773	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-56.6	133.3	175.7	22.7	-31.2	0	0	0	108.4	Q882	P880-Q882 PolarHBondContact O-N 3.18Å; P880-Q882 VanDerWaalsContact O-N 3.13Å
881	R	73.4	Confident	70.9	Confident	196 Å²	196	136.7 Å²	136.7	74%	0.74	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62.8	119	175.1	-77.7	-177	165.8	179.3	-7.1	107.3	R879	R879-R881 PolarHBondContact O-N 3.39Å
882	Q	77	Confident	71.3	Confident	138 Å²	138	137.1 Å²	137.1	65%	0.645	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.4	172.1	-72.4	-176.1	-12.6	0	0	108.2	P880 I886	P880-Q882 PolarHBondContact O-N 3.18Å; P880-Q882 VanDerWaalsContact O-N 3.13Å; Q882-I886 HydrophobicContact CB-CD1 4.39Å
883	P	77.9	Confident	71.8	Confident	50 Å²	50	141.7 Å²	141.7	33%	0.325	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-54.6	147.6	174	-23.7	31.2	0	0	0	111.5	W885 I886	P883-W885 HydrophobicContact CB-CD2 3.51Å; P883-W885 HydrophobicContact CB-CE3 3.64Å; P883-W885 HydrophobicContact CB-CG 4.32Å; P883-W885 HydrophobicContact CB-CH2 3.45Å; P883-W885 VanDerWaalsContact CB-CH2 3.45Å; P883-W885 HydrophobicContact CB-CZ2 3.28Å; P883-W885 HydrophobicContact CB-CZ3 3.62Å; P883-W885 HydrophobicContact CG-CH2 4Å; P883-W885 HydrophobicContact CG-CZ2 3.61Å; P883-W885 PolarHBondContact O-N 3.31Å; P883-I886 HydrophobicContact CG-CD1 4.39Å; P883-I886 PolarHBondContact O-N 2.94Å; P883-I886 VanDerWaalsContact O-N 3.12Å
884	F	80	Confident	72	Confident	189 Å²	189	142.4 Å²	142.4	83%	0.829	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-14.7	-173	72.2	-90.7	0	0	0	114.6
885	W	80.6	Confident	72.1	Confident	171 Å²	171	140.3 Å²	140.3	65%	0.648	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-6.2	-179.2	60.9	80.6	0	0	0	114.5	P883 N887	P883-W885 HydrophobicContact CB-CD2 3.51Å; P883-W885 HydrophobicContact CB-CE3 3.64Å; P883-W885 HydrophobicContact CB-CG 4.32Å; P883-W885 HydrophobicContact CB-CH2 3.45Å; P883-W885 VanDerWaalsContact CB-CH2 3.45Å; P883-W885 HydrophobicContact CB-CZ2 3.28Å; P883-W885 HydrophobicContact CB-CZ3 3.62Å; P883-W885 HydrophobicContact CG-CH2 4Å; P883-W885 HydrophobicContact CG-CZ2 3.61Å; P883-W885 PolarHBondContact O-N 3.31Å; W885-N887 PolarHBondContact O-N 2.94Å
886	I	73.4	Confident	72	Confident	82 Å²	82	147.9 Å²	147.9	42%	0.421	67%	0.673	S	S	.	*			trans	-77	97.3	173.1	-59	-175.3	0	0	0	107	Q882 P883 S888	Q882-I886 HydrophobicContact CB-CD1 4.39Å; P883-I886 HydrophobicContact CG-CD1 4.39Å; P883-I886 PolarHBondContact O-N 2.94Å; P883-I886 VanDerWaalsContact O-N 3.12Å; I886-S888 PolarHBondContact O-N 3.37Å
887	N	69.4	Low	71.4	Confident	150 Å²	150	154 Å²	154	80%	0.802	70%	0.704	S	S	*	*			trans	-65.2	98.7	165.9	-73.8	-16.7	0	0	0	107.1	W885 E889	W885-N887 PolarHBondContact O-N 2.94Å; N887-E889 PolarHBondContact O-N 2.94Å
888	S	58.6	Low	71.2	Confident	97 Å²	97	150.3 Å²	150.3	68%	0.678	70%	0.7	S	S	*	*			trans	-68.2	111	167.6	55.2	0	0	0	0	108	I886	I886-S888 PolarHBondContact O-N 3.37Å
889	E	43.3	Very low	71.2	Confident	265 Å²	265	152.8 Å²	152.8	100%	1.238	72%	0.722	S	S	*	*			trans	-56.4	0	164.9	-70.7	-178.1	164.2	0	0	112.1	N887	N887-E889 PolarHBondContact O-N 2.94Å

Retrieved 889 of 889 residues in 616.4 ms (Link to these results)

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