A0A077ZIE0_TRITR Loading...

TraG N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIE0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 925 aa.

						>A0A077ZIE0_TRITR|A0A077ZIE0
MGTRTWDSIEKIALTLSVLAVAVMWVQRHNVMDLLGWVAVFVLISLLVNVRTSVQIIDNSDLVQVHRVDNVPVGLAMPLSLTTRIGHAMVVSYEMIFTQPDSVTYSKTGMLFGANLIVKSTDFLSRNPEIINLFQDYVQNCVLGDIYLNHKYTLEDLMASSDPYTIIFSQPSPLRQVPNNNYSFLHSSEPFVSCKDASVGLKDKLNFDTNTGGKTWHYYVQQIFGGRPDPDLLFRELLSDSYSYFYGASQSASQIMRKNVTINALKEGITSNAARNGDTASLVSLATTSSMEKQRLAHVSIGHVTMRNLPMVQTILTGIAIGIFPLLILAAVFNKLTLSVLKGYVFALMWLQTWPLLYAILNSAMTFYAKQNGAPVVLSELSQIQLKYSDLASTAGYLSAMIPPLSWMMVKGLGAGFSSVYSHFASSSISPTASAAGSVVDGNYSYGNMQTENVNGFSWSTNSTTSFGQMTYQTGSGATTTQTRDGNMVMDASGAMSRLPVGINATRQIAAAQQEMAREASNRAESALHGFSSSIASAWNTLSQFGSNRGSSDSVTGGADSTMSAQDSMMASRMRSAVESYAKAHNISNEQATRELASRSATASAGLYGDAHAGLDAKPSLFGVRVDVGAKVGGRASIDGSDLDSHEASSGSRASHDARHDIDAKASKDFKEASDYFTSRKVSESGSHTDNNADSRVDQLSAALNSAKQSYDQYTTNMTCSHEYAEMASRTESMSGQMSEDLSQQFAQYVMKRAPQDAEAILTNTSSPEIAEHRRAMAWTFVQEQVQPGVDNAWRESRGDIGKGMESVPSGGGSQDIIADHQGHQAIIEQRTQDSNIRNDVKHQVDNMVTEYRGNIGDTQSSIRGEENIVRGQYSELQNHHKTEALSQNNKYNEERESQKIIPEPSEEAVKKMVDDKKDRLKGPL
					

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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	57.8	Low	73.8	Confident	74 Å²	74	89.5 Å²	89.5	37%	0.365	48%	0.483	S	S	.	.				0	-27.6	0	-69.4	-178.6	173.8	0	0	113.6	W6 V48 P72 F324 P325 I328	M1-W6 HydrophobicContact CB-CG 4.46Å; M1-W6 HydrophobicContact CE-CZ2 4.24Å; M1-W6 HydrophobicContact CG-CD2 4.26Å; M1-W6 HydrophobicContact CG-CZ2 4.29Å; M1-V48 HydrophobicContact SD-CG1 4.33Å; M1-P72 HydrophobicContact SD-CG 3.85Å; M1-F324 HydrophobicContact CE-CD1 3.98Å; M1-F324 HydrophobicContact CE-CE1 3.96Å; M1-P325 HydrophobicContact CE-CB 4.08Å; M1-P325 HydrophobicContact CE-CG 4.08Å; M1-I328 HydrophobicContact CE-CD1 3.46Å; M1-I328 VanDerWaalsContact CE-CD1 3.46Å
2	G	63.1	Low	74.5	Confident	84 Å²	84	90.3 Å²	90.3	87%	0.866	49%	0.485	S	S	*	.			trans	-86.3	6.7	178.2	0	0	0	0	0	116.5
3	T	71.6	Confident	74.7	Confident	80 Å²	80	84.4 Å²	84.4	49%	0.491	46%	0.456	S	S	.	.	S	Bend	trans	-90.2	147.3	-175.9	56.7	0	0	0	0	111	T5 W6 D7	T3-T5 WeakPolarHBondContact CB-OG1 3.5Å; T3-T5 PolarHBondContact O-N 3.39Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact OG1-OG1 3.11Å; T3-W6 WeakPolarHBondContact O-CB 3.4Å; T3-W6 PolarHBondContact O-N 3.26Å; T3-W6 PolarHBondContact OG1-N 3.38Å; T3-D7 PolarHBondContact O-N 3.24Å
4	R	75	Confident	74.9	Confident	228 Å²	228	81.6 Å²	81.6	86%	0.86	44%	0.44	S	S	*	.	H	α-helix	trans	-54	-31.3	173.8	-79.3	-178.1	162.2	153.1	-3.8	113.3	S8	R4-S8 PolarHBondContact O-N 2.94Å; R4-S8 VanDerWaalsContact O-N 3.14Å; R4-S8 PolarHBondContact O-OG 3.34Å; R4-S8 VanDerWaalsContact O-OG 3.08Å
5	T	77.6	Confident	75.4	Confident	95 Å²	95	81.5 Å²	81.5	58%	0.583	44%	0.444	S	S	*	.	H	α-helix	trans	-63.9	-40.9	174.4	47.2	0	0	0	0	112.6	T3 S8 I9	T3-T5 WeakPolarHBondContact CB-OG1 3.5Å; T3-T5 PolarHBondContact O-N 3.39Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact OG1-OG1 3.11Å; T5-S8 PolarHBondContact O-N 3.3Å; T5-I9 WeakPolarHBondContact O-CG1 3.37Å; T5-I9 PolarHBondContact O-N 3.41Å
6	W	75.5	Confident	75.8	Confident	30 Å²	30	81.8 Å²	81.8	11%	0.114	44%	0.444	C	S	.	.	H	α-helix	trans	-64.4	-46.2	177.3	178.4	-96.2	0	0	0	111.1	M1 T3 S8 I9 E10 P325 L329	M1-W6 HydrophobicContact CB-CG 4.46Å; M1-W6 HydrophobicContact CE-CZ2 4.24Å; M1-W6 HydrophobicContact CG-CD2 4.26Å; M1-W6 HydrophobicContact CG-CZ2 4.29Å; T3-W6 WeakPolarHBondContact O-CB 3.4Å; T3-W6 PolarHBondContact O-N 3.26Å; T3-W6 PolarHBondContact OG1-N 3.38Å; W6-S8 PolarHBondContact O-N 3.25Å; W6-I9 PolarHBondContact O-N 3.38Å; W6-I9 VanDerWaalsContact O-N 3.13Å; W6-E10 PolarHBondContact NE1-OE2 3.41Å; W6-E10 WeakPolarHBondContact O-CB 3.49Å; W6-E10 PolarHBondContact O-N 3.05Å; W6-P325 HydrophobicContact CH2-CB 3.71Å; W6-P325 WeakPolarHBondContact CH2-O 3.44Å; W6-P325 HydrophobicContact CZ3-CB 3.72Å; W6-L329 HydrophobicContact CH2-CD1 4.25Å; W6-L329 HydrophobicContact CH2-CD2 4.21Å; W6-L329 HydrophobicContact CH2-CG 4.01Å; W6-L329 HydrophobicContact CZ3-CD1 4.08Å; W6-L329 HydrophobicContact CZ3-CG 4.34Å
7	D	75.7	Confident	76.1	Confident	72 Å²	72	77.1 Å²	77.1	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-58.5	-37	177.3	-178.6	41.6	0	0	0	111.8	T3 K11	T3-D7 PolarHBondContact O-N 3.24Å; D7-K11 VanDerWaalsContact CG-NZ 3.35Å; D7-K11 WeakPolarHBondContact O-CB 3.32Å; D7-K11 WeakPolarHBondContact O-CD 3.4Å; D7-K11 WeakPolarHBondContact O-CG 3.47Å; D7-K11 PolarHBondContact O-N 3.48Å; D7-K11 VanDerWaalsContact OD1-CE 3.25Å; D7-K11 WeakPolarHBondContact OD1-CE 3.23Å; D7-K11 IonicContact OD1-NZ 3.33Å; D7-K11 PolarHBondContact OD1-NZ 3.46Å; D7-K11 IonicContact OD2-NZ 2.71Å; D7-K11 PolarHBondContact OD2-NZ 3.44Å
8	S	80.6	Confident	76.4	Confident	63 Å²	63	77.1 Å²	77.1	44%	0.441	42%	0.421	S	S	.	.	H	α-helix	trans	-68.3	-44.6	174.7	-60.5	0	0	0	0	112.7	R4 T5 W6 K11 I12	R4-S8 PolarHBondContact O-N 2.94Å; R4-S8 VanDerWaalsContact O-N 3.14Å; R4-S8 PolarHBondContact O-OG 3.34Å; R4-S8 VanDerWaalsContact O-OG 3.08Å; T5-S8 PolarHBondContact O-N 3.3Å; W6-S8 PolarHBondContact O-N 3.25Å; S8-K11 PolarHBondContact O-N 3.47Å; S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.13Å
9	I	79.8	Confident	76.7	Confident	78 Å²	78	78.6 Å²	78.6	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-65	-42.1	178.3	-67.3	166.6	0	0	0	110.7	T5 W6 I12 A13 L329	T5-I9 WeakPolarHBondContact O-CG1 3.37Å; T5-I9 PolarHBondContact O-N 3.41Å; W6-I9 PolarHBondContact O-N 3.38Å; W6-I9 VanDerWaalsContact O-N 3.13Å; I9-I12 PolarHBondContact O-N 3.23Å; I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.46Å; I9-L329 HydrophobicContact CG2-CD1 3.67Å; I9-L329 HydrophobicContact CG2-CD2 3.71Å; I9-L329 HydrophobicContact CG2-CG 4.36Å
10	E	75.4	Confident	76.9	Confident	68 Å²	68	76.3 Å²	76.3	32%	0.318	42%	0.42	S	S	.	.	H	α-helix	trans	-58.9	-48.7	175.6	-175.1	175.6	157.8	0	0	110.6	W6 I12 A13 L14	W6-E10 PolarHBondContact NE1-OE2 3.41Å; W6-E10 WeakPolarHBondContact O-CB 3.49Å; W6-E10 PolarHBondContact O-N 3.05Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 3.11Å; E10-A13 PolarHBondContact O-N 3.02Å; E10-L14 HydrophobicContact CG-CD1 4.13Å; E10-L14 WeakPolarHBondContact O-CB 3.37Å; E10-L14 VanDerWaalsContact O-CG 3.22Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.46Å
11	K	79.3	Confident	77	Confident	113 Å²	113	73.1 Å²	73.1	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-57.6	-44.7	174.9	-75.6	166.4	-179.5	163.3	0	112.4	D7 S8 L14 T15	D7-K11 VanDerWaalsContact CG-NZ 3.35Å; D7-K11 WeakPolarHBondContact O-CB 3.32Å; D7-K11 WeakPolarHBondContact O-CD 3.4Å; D7-K11 WeakPolarHBondContact O-CG 3.47Å; D7-K11 PolarHBondContact O-N 3.48Å; D7-K11 VanDerWaalsContact OD1-CE 3.25Å; D7-K11 WeakPolarHBondContact OD1-CE 3.23Å; D7-K11 IonicContact OD1-NZ 3.33Å; D7-K11 PolarHBondContact OD1-NZ 3.46Å; D7-K11 IonicContact OD2-NZ 2.71Å; D7-K11 PolarHBondContact OD2-NZ 3.44Å; S8-K11 PolarHBondContact O-N 3.47Å; K11-L14 PolarHBondContact O-N 3.42Å; K11-T15 VanDerWaalsContact O-CG2 3.31Å; K11-T15 WeakPolarHBondContact O-CG2 3.44Å; K11-T15 PolarHBondContact O-N 3.33Å; K11-T15 PolarHBondContact O-OG1 3.36Å
12	I	82.2	Confident	78.1	Confident	99 Å²	99	71.9 Å²	71.9	51%	0.508	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-50.1	177.4	-68	163.6	0	0	0	110.6	S8 I9 E10 L14 T15 L16	S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.48Å; S8-I12 PolarHBondContact O-N 3.13Å; I9-I12 PolarHBondContact O-N 3.23Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 3.11Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 2.65Å; I12-T15 PolarHBondContact O-N 3.29Å; I12-T15 VanDerWaalsContact O-N 3.17Å; I12-T15 PolarHBondContact O-OG1 3.26Å; I12-L16 HydrophobicContact CG2-CD1 4.07Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.36Å
13	A	78.1	Confident	79	Confident	13 Å²	13	71.6 Å²	71.6	11%	0.107	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-41.6	179	0	0	0	0	0	111.5	I9 E10 L16 S17 L329	I9-A13 WeakPolarHBondContact O-CB 3.34Å; I9-A13 PolarHBondContact O-N 3.46Å; E10-A13 PolarHBondContact O-N 3.02Å; A13-L16 PolarHBondContact O-N 3.4Å; A13-S17 WeakPolarHBondContact O-CB 3.3Å; A13-S17 PolarHBondContact O-N 3.04Å; A13-L329 HydrophobicContact CB-CD2 3.83Å
14	L	77.4	Confident	79.2	Confident	45 Å²	45	69 Å²	69	24%	0.236	37%	0.369	C	S	.	.	H	α-helix	trans	-62.4	-46.3	175.5	-70.8	175.3	0	0	0	111.9	E10 K11 I12 L16 S17 V18 F41 V332	E10-L14 HydrophobicContact CG-CD1 4.13Å; E10-L14 WeakPolarHBondContact O-CB 3.37Å; E10-L14 VanDerWaalsContact O-CG 3.22Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.46Å; K11-L14 PolarHBondContact O-N 3.42Å; I12-L14 VanDerWaalsContact C-N 3.28Å; I12-L14 PolarHBondContact O-N 2.65Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.45Å; L14-S17 WeakPolarHBondContact O-CB 3.42Å; L14-S17 PolarHBondContact O-N 3.27Å; L14-S17 VanDerWaalsContact O-N 3.15Å; L14-S17 PolarHBondContact O-OG 3Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.63Å; L14-F41 HydrophobicContact CD1-CE2 4.34Å; L14-F41 HydrophobicContact CD2-CD2 3.79Å; L14-F41 HydrophobicContact CD2-CE2 3.5Å; L14-V332 HydrophobicContact CD2-CG1 4.45Å
15	T	81.6	Confident	79.5	Confident	81 Å²	81	63 Å²	63	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-41.4	177.1	59	0	0	0	0	112.4	K11 I12 S17 V18 L19	K11-T15 VanDerWaalsContact O-CG2 3.31Å; K11-T15 WeakPolarHBondContact O-CG2 3.44Å; K11-T15 PolarHBondContact O-N 3.33Å; K11-T15 PolarHBondContact O-OG1 3.36Å; I12-T15 PolarHBondContact O-N 3.29Å; I12-T15 VanDerWaalsContact O-N 3.17Å; I12-T15 PolarHBondContact O-OG1 3.26Å; T15-S17 VanDerWaalsContact C-N 3.32Å; T15-S17 PolarHBondContact O-N 3.2Å; T15-V18 PolarHBondContact O-N 3.07Å; T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 3.26Å
16	L	82.8	Confident	79.7	Confident	86 Å²	86	63.3 Å²	63.3	45%	0.45	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-36.5	175.3	-71.3	174.3	0	0	0	112	I12 A13 L14 L19 A20 F333	I12-L16 HydrophobicContact CG2-CD1 4.07Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.36Å; A13-L16 PolarHBondContact O-N 3.4Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-L16 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 2.65Å; L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.44Å; L16-F333 HydrophobicContact CB-CZ 4.46Å
17	S	79.5	Confident	80.1	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.014	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-42.9	176.6	88.7	0	0	0	0	112.2	A13 L14 T15 A20 V21 W37	A13-S17 WeakPolarHBondContact O-CB 3.3Å; A13-S17 PolarHBondContact O-N 3.04Å; L14-S17 WeakPolarHBondContact O-CB 3.42Å; L14-S17 PolarHBondContact O-N 3.27Å; L14-S17 VanDerWaalsContact O-N 3.15Å; L14-S17 PolarHBondContact O-OG 3Å; T15-S17 VanDerWaalsContact C-N 3.32Å; T15-S17 PolarHBondContact O-N 3.2Å; S17-A20 PolarHBondContact O-N 3.14Å; S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.46Å; S17-V21 PolarHBondContact O-N 3.34Å; S17-W37 PolarHBondContact OG-NE1 3.26Å
18	V	81.8	Confident	80.3	Confident	76 Å²	76	72 Å²	72	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-44.2	177.1	173.2	0	0	0	0	109.6	L14 T15 V21 A22 W37	L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.63Å; T15-V18 PolarHBondContact O-N 3.07Å; V18-V21 PolarHBondContact O-N 3.16Å; V18-A22 WeakPolarHBondContact O-CB 3.19Å; V18-A22 PolarHBondContact O-N 2.82Å; V18-W37 HydrophobicContact CG2-CH2 3.78Å; V18-W37 HydrophobicContact CG2-CZ2 3.6Å
19	L	83.4	Confident	80.2	Confident	107 Å²	107	75.4 Å²	75.4	56%	0.56	39%	0.39	S	S	*	.	H	α-helix	trans	-60	-46.4	174.1	-79.8	167.4	0	0	0	112.1	T15 L16 V21 A22 V23	T15-L19 WeakPolarHBondContact O-CG 3.42Å; T15-L19 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 2.65Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.19Å; L19-A22 PolarHBondContact O-N 3.38Å; L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.11Å
20	A	79.3	Confident	80.2	Confident	31 Å²	31	75 Å²	75	26%	0.256	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-40.2	179.3	0	0	0	0	0	112	L16 S17 V23 M24 F333	L16-A20 WeakPolarHBondContact O-CB 3.45Å; L16-A20 PolarHBondContact O-N 3.44Å; S17-A20 PolarHBondContact O-N 3.14Å; A20-V23 PolarHBondContact O-N 3.28Å; A20-M24 WeakPolarHBondContact O-CG 3.49Å; A20-M24 PolarHBondContact O-N 3.18Å; A20-F333 HydrophobicContact CB-CD1 4.31Å; A20-F333 HydrophobicContact CB-CE1 4.33Å
21	V	79.6	Confident	80.4	Confident	11 Å²	11	75.6 Å²	75.6	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-70.2	-39.9	176.1	174.6	0	0	0	0	111.3	S17 V18 L19 V23 M24 W25 L34 W37	S17-V21 VanDerWaalsContact O-CG2 3.25Å; S17-V21 WeakPolarHBondContact O-CG2 3.46Å; S17-V21 PolarHBondContact O-N 3.34Å; V18-V21 PolarHBondContact O-N 3.16Å; L19-V21 VanDerWaalsContact C-N 3.31Å; L19-V21 PolarHBondContact O-N 3.19Å; V21-V23 VanDerWaalsContact C-N 3.32Å; V21-V23 PolarHBondContact O-N 3.11Å; V21-M24 HydrophobicContact CG2-CE 4.09Å; V21-M24 PolarHBondContact O-N 3.04Å; V21-W25 VanDerWaalsContact O-CB 3.25Å; V21-W25 WeakPolarHBondContact O-CB 3.36Å; V21-W25 PolarHBondContact O-N 3.16Å; V21-L34 HydrophobicContact CG1-CD1 4.27Å; V21-W37 HydrophobicContact CB-CG 4.37Å; V21-W37 HydrophobicContact CG1-CB 4.3Å; V21-W37 HydrophobicContact CG1-CG 4.37Å; V21-W37 HydrophobicContact CG2-CB 3.72Å; V21-W37 HydrophobicContact CG2-CD2 3.93Å; V21-W37 HydrophobicContact CG2-CG 3.34Å
22	A	81.4	Confident	80.3	Confident	48 Å²	48	76.6 Å²	76.6	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-43	174.2	0	0	0	0	0	111.2	V18 L19 W25 V26	V18-A22 WeakPolarHBondContact O-CB 3.19Å; V18-A22 PolarHBondContact O-N 2.82Å; L19-A22 PolarHBondContact O-N 3.38Å; A22-W25 WeakPolarHBondContact O-CB 3.46Å; A22-W25 PolarHBondContact O-N 3.12Å; A22-V26 VanDerWaalsContact O-CG2 3.27Å; A22-V26 WeakPolarHBondContact O-CG2 3.37Å; A22-V26 PolarHBondContact O-N 3.5Å
23	V	82.3	Confident	80	Confident	78 Å²	78	73.5 Å²	73.5	47%	0.473	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-45.2	174.3	172.6	0	0	0	0	111.4	L19 A20 V21 W25 V26 Q27	L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.11Å; A20-V23 PolarHBondContact O-N 3.28Å; V21-V23 VanDerWaalsContact C-N 3.32Å; V21-V23 PolarHBondContact O-N 3.11Å; V23-W25 VanDerWaalsContact C-N 3.31Å; V23-W25 PolarHBondContact O-N 3.09Å; V23-V26 PolarHBondContact O-N 3.5Å; V23-Q27 WeakPolarHBondContact O-CG 3.48Å; V23-Q27 PolarHBondContact O-N 3.42Å
24	M	75.7	Confident	80	Confident	25 Å²	25	76.4 Å²	76.4	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-38.2	176.9	-76.2	-172.5	-70.3	0	0	112.3	A20 V21 Q27 R28 K335	A20-M24 WeakPolarHBondContact O-CG 3.49Å; A20-M24 PolarHBondContact O-N 3.18Å; V21-M24 HydrophobicContact CG2-CE 4.09Å; V21-M24 PolarHBondContact O-N 3.04Å; M24-Q27 PolarHBondContact O-N 3.33Å; M24-R28 WeakPolarHBondContact O-CB 3.49Å; M24-R28 PolarHBondContact O-N 3.28Å; M24-K335 HydrophobicContact SD-CD 4.21Å; M24-K335 HydrophobicContact SD-CG 4.4Å
25	W	80.2	Confident	80.2	Confident	101 Å²	101	79 Å²	79	38%	0.383	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-48.2	174.6	178.2	-104.5	0	0	0	111	V21 A22 V23 Q27 R28 H29 N30 V31	V21-W25 VanDerWaalsContact O-CB 3.25Å; V21-W25 WeakPolarHBondContact O-CB 3.36Å; V21-W25 PolarHBondContact O-N 3.16Å; A22-W25 WeakPolarHBondContact O-CB 3.46Å; A22-W25 PolarHBondContact O-N 3.12Å; V23-W25 VanDerWaalsContact C-N 3.31Å; V23-W25 PolarHBondContact O-N 3.09Å; W25-Q27 VanDerWaalsContact C-N 3.29Å; W25-Q27 PolarHBondContact O-N 3.35Å; W25-R28 PolarHBondContact O-N 3.05Å; W25-H29 VanDerWaalsContact O-CA 3.31Å; W25-H29 WeakPolarHBondContact O-CA 3.3Å; W25-H29 PolarHBondContact O-N 2.97Å; W25-H29 PolarHBondContact O-ND1 3.05Å; W25-N30 VanDerWaalsContact CZ3-C 3.49Å; W25-V31 HydrophobicContact CH2-CG2 3.82Å; W25-V31 HydrophobicContact CZ3-CB 4.43Å; W25-V31 HydrophobicContact CZ3-CG2 3.98Å
26	V	83	Confident	80.2	Confident	102 Å²	102	76.2 Å²	76.2	62%	0.618	40%	0.404	S	S	*	.	H	α-helix	trans	-60.1	-39.2	175.8	171.6	0	0	0	0	111.4	A22 V23 H29	A22-V26 VanDerWaalsContact O-CG2 3.27Å; A22-V26 WeakPolarHBondContact O-CG2 3.37Å; A22-V26 PolarHBondContact O-N 3.5Å; V23-V26 PolarHBondContact O-N 3.5Å; V26-H29 PolarHBondContact O-CE1 3.08Å; V26-H29 PolarHBondContact O-ND1 3.1Å; V26-H29 VanDerWaalsContact O-ND1 3.16Å
27	Q	83.6	Confident	80.1	Confident	144 Å²	144	74.3 Å²	74.3	67%	0.673	39%	0.391	S	S	*	.	H	α-helix	trans	-75.7	-38.2	-179.4	-73.9	-178.7	-7.4	0	0	114.1	V23 M24 W25	V23-Q27 WeakPolarHBondContact O-CG 3.48Å; V23-Q27 PolarHBondContact O-N 3.42Å; M24-Q27 PolarHBondContact O-N 3.33Å; W25-Q27 VanDerWaalsContact C-N 3.29Å; W25-Q27 PolarHBondContact O-N 3.35Å
28	R	80.1	Confident	80.2	Confident	140 Å²	140	77.4 Å²	77.4	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-115	-19.3	-167.3	-66.3	-177.9	168.4	-160.7	-9.9	114.8	M24 W25 N30 D33	M24-R28 WeakPolarHBondContact O-CB 3.49Å; M24-R28 PolarHBondContact O-N 3.28Å; W25-R28 PolarHBondContact O-N 3.05Å; R28-N30 HydrophobicContact CB-CB 4.25Å; R28-N30 PolarHBondContact O-N 3.16Å; R28-D33 WeakPolarHBondContact CD-OD2 3.41Å; R28-D33 IonicContact NH1-OD2 3.92Å
29	H	78.3	Confident	80.3	Confident	135 Å²	135	76.6 Å²	76.6	63%	0.625	41%	0.411	S	S	*	.			trans	48.4	28.5	-174.9	-68.3	54.2	0	0	0	113.3	W25 V26	W25-H29 VanDerWaalsContact O-CA 3.31Å; W25-H29 WeakPolarHBondContact O-CA 3.3Å; W25-H29 PolarHBondContact O-N 2.97Å; W25-H29 PolarHBondContact O-ND1 3.05Å; V26-H29 PolarHBondContact O-CE1 3.08Å; V26-H29 PolarHBondContact O-ND1 3.1Å; V26-H29 VanDerWaalsContact O-ND1 3.16Å
30	N	78.3	Confident	80.2	Confident	70 Å²	70	72.1 Å²	72.1	37%	0.374	39%	0.388	S	S	.	.			trans	-98.6	113.6	-173.6	-171.6	-6.8	0	0	0	110.8	W25 R28 M32 D33	W25-N30 VanDerWaalsContact CZ3-C 3.49Å; R28-N30 HydrophobicContact CB-CB 4.25Å; R28-N30 PolarHBondContact O-N 3.16Å; N30-M32 PolarHBondContact O-N 3.11Å; N30-M32 WeakPolarHBondContact OD1-CB 3.26Å; N30-M32 PolarHBondContact OD1-N 3.21Å; N30-D33 PolarHBondContact O-N 3.25Å; N30-D33 VanDerWaalsContact O-N 3.1Å
31	V	80.1	Confident	80.3	Confident	80 Å²	80	74.6 Å²	74.6	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-61.2	-27.4	-179.1	-177.5	0	0	0	0	111.7	W25 D33 L34 L35	W25-V31 HydrophobicContact CH2-CG2 3.82Å; W25-V31 HydrophobicContact CZ3-CB 4.43Å; W25-V31 HydrophobicContact CZ3-CG2 3.98Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.38Å; V31-L34 PolarHBondContact O-N 3.09Å; V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.17Å; V31-L35 WeakPolarHBondContact O-CG 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å
32	M	77.7	Confident	80.5	Confident	134 Å²	134	78.1 Å²	78.1	66%	0.66	41%	0.414	S	S	*	.	H	α-helix	trans	-65.7	-32.1	177.5	-66.7	-59.3	-164.6	0	0	113	N30 L34 L35 G36	N30-M32 PolarHBondContact O-N 3.11Å; N30-M32 WeakPolarHBondContact OD1-CB 3.26Å; N30-M32 PolarHBondContact OD1-N 3.21Å; M32-L34 VanDerWaalsContact C-N 3.33Å; M32-L35 HydrophobicContact SD-CD1 4.29Å; M32-G36 PolarHBondContact O-N 3.21Å
33	D	76	Confident	80.7	Confident	34 Å²	34	79.1 Å²	79.1	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-70.3	-33.4	177.7	-76	-19	0	0	0	111.1	R28 N30 V31 W37 N334	R28-D33 WeakPolarHBondContact CD-OD2 3.41Å; R28-D33 IonicContact NH1-OD2 3.92Å; N30-D33 PolarHBondContact O-N 3.25Å; N30-D33 VanDerWaalsContact O-N 3.1Å; V31-D33 VanDerWaalsContact C-N 3.31Å; V31-D33 PolarHBondContact O-N 3.38Å; D33-W37 PolarHBondContact O-N 3.37Å; D33-W37 VanDerWaalsContact O-N 3.12Å; D33-N334 PolarHBondContact O-ND2 3.17Å
34	L	78	Confident	80.6	Confident	74 Å²	74	76.2 Å²	76.2	39%	0.387	39%	0.394	S	S	.	.	H	α-helix	trans	-72.9	-48.9	175.5	-171.1	106.4	0	0	0	111.6	V21 V31 M32 G36 W37 V38	V21-L34 HydrophobicContact CG1-CD1 4.27Å; V31-L34 PolarHBondContact O-N 3.09Å; M32-L34 VanDerWaalsContact C-N 3.33Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.19Å; L34-W37 PolarHBondContact O-N 3.42Å; L34-W37 VanDerWaalsContact O-N 3.16Å; L34-V38 WeakPolarHBondContact O-CG2 3.1Å; L34-V38 PolarHBondContact O-N 3.18Å
35	L	82.6	Confident	80.9	Confident	100 Å²	100	76.7 Å²	76.7	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-59.4	-41.8	175.6	-73.6	173.4	0	0	0	111.4	V31 M32 W37 V38 A39	V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 HydrophobicContact CG1-CG 4.17Å; V31-L35 WeakPolarHBondContact O-CG 3.24Å; V31-L35 PolarHBondContact O-N 3.4Å; M32-L35 HydrophobicContact SD-CD1 4.29Å; L35-W37 PolarHBondContact O-N 3.42Å; L35-V38 PolarHBondContact O-N 2.85Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 2.96Å
36	G	80.5	Confident	81.1	Confident	23 Å²	23	76.5 Å²	76.5	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-60.1	-43	174.6	0	0	0	0	0	112.3	M32 L34 A39 V40	M32-G36 PolarHBondContact O-N 3.21Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.19Å; G36-A39 PolarHBondContact O-N 3.29Å; G36-V40 WeakPolarHBondContact O-CB 3.21Å; G36-V40 VanDerWaalsContact O-CG2 3.29Å; G36-V40 WeakPolarHBondContact O-CG2 3.35Å; G36-V40 PolarHBondContact O-N 3.49Å
37	W	80	Confident	81.2	Confident	46 Å²	46	73.3 Å²	73.3	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-42.8	176.6	177	79.6	0	0	0	112.9	S17 V18 V21 D33 L34 L35 A39 V40 F41 N334	S17-W37 PolarHBondContact OG-NE1 3.26Å; V18-W37 HydrophobicContact CG2-CH2 3.78Å; V18-W37 HydrophobicContact CG2-CZ2 3.6Å; V21-W37 HydrophobicContact CB-CG 4.37Å; V21-W37 HydrophobicContact CG1-CB 4.3Å; V21-W37 HydrophobicContact CG1-CG 4.37Å; V21-W37 HydrophobicContact CG2-CB 3.72Å; V21-W37 HydrophobicContact CG2-CD2 3.93Å; V21-W37 HydrophobicContact CG2-CG 3.34Å; D33-W37 PolarHBondContact O-N 3.37Å; D33-W37 VanDerWaalsContact O-N 3.12Å; L34-W37 PolarHBondContact O-N 3.42Å; L34-W37 VanDerWaalsContact O-N 3.16Å; L35-W37 PolarHBondContact O-N 3.42Å; W37-A39 VanDerWaalsContact C-N 3.3Å; W37-A39 PolarHBondContact O-N 3.1Å; W37-V40 PolarHBondContact O-N 3.33Å; W37-F41 WeakPolarHBondContact O-CB 3.25Å; W37-F41 PolarHBondContact O-N 3.14Å; W37-N334 HydrophobicContact CB-CB 4.27Å; W37-N334 PolarHBondContact N-ND2 3.07Å
38	V	83.2	Confident	81.1	Confident	66 Å²	66	67 Å²	67	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-43.6	175.2	175.1	0	0	0	0	110.4	L34 L35 V40 F41 V42	L34-V38 WeakPolarHBondContact O-CG2 3.1Å; L34-V38 PolarHBondContact O-N 3.18Å; L35-V38 PolarHBondContact O-N 2.85Å; V38-V40 PolarHBondContact O-N 3.38Å; V38-F41 PolarHBondContact O-N 3.29Å; V38-V42 HydrophobicContact CG1-CG2 4.49Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 3.4Å
39	A	84	Confident	81.1	Confident	60 Å²	60	65.5 Å²	65.5	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-43.7	176.4	0	0	0	0	0	112.1	L35 G36 W37 V42 L43	L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 2.96Å; G36-A39 PolarHBondContact O-N 3.29Å; W37-A39 VanDerWaalsContact C-N 3.3Å; W37-A39 PolarHBondContact O-N 3.1Å; A39-V42 PolarHBondContact O-N 3.42Å; A39-L43 VanDerWaalsContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CB 3.48Å; A39-L43 PolarHBondContact O-N 2.77Å
40	V	80.3	Confident	81.4	Confident	13 Å²	13	62.4 Å²	62.4	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-43.8	174.8	161.9	0	0	0	0	111.4	G36 W37 V38 L43 I44 T337	G36-V40 WeakPolarHBondContact O-CB 3.21Å; G36-V40 VanDerWaalsContact O-CG2 3.29Å; G36-V40 WeakPolarHBondContact O-CG2 3.35Å; G36-V40 PolarHBondContact O-N 3.49Å; W37-V40 PolarHBondContact O-N 3.33Å; V38-V40 PolarHBondContact O-N 3.38Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 PolarHBondContact O-N 3.45Å; V40-I44 HydrophobicContact CG1-CD1 3.61Å; V40-I44 HydrophobicContact CG1-CG1 4.4Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.1Å; V40-I44 PolarHBondContact O-N 3.41Å; V40-T337 HydrophobicContact CB-CG2 4.4Å; V40-T337 HydrophobicContact CG1-CG2 3.69Å; V40-T337 WeakPolarHBondContact CG1-OG1 3.19Å; V40-T337 HydrophobicContact CG2-CG2 3.97Å
41	F	80.7	Confident	81.7	Confident	82 Å²	82	65.4 Å²	65.4	36%	0.36	36%	0.355	S	S	.	.	H	α-helix	trans	-64	-44.7	179.3	176.3	-98.8	0	0	0	112	L14 W37 V38 L43 I44 S45	L14-F41 HydrophobicContact CD1-CE2 4.34Å; L14-F41 HydrophobicContact CD2-CD2 3.79Å; L14-F41 HydrophobicContact CD2-CE2 3.5Å; W37-F41 WeakPolarHBondContact O-CB 3.25Å; W37-F41 PolarHBondContact O-N 3.14Å; V38-F41 PolarHBondContact O-N 3.29Å; F41-L43 VanDerWaalsContact C-N 3.34Å; F41-I44 PolarHBondContact O-N 3.3Å; F41-S45 VanDerWaalsContact O-CB 3.31Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 2.83Å; F41-S45 PolarHBondContact O-OG 3.17Å
42	V	84.6	Confident	82	Confident	86 Å²	86	64.5 Å²	64.5	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-43.6	174.8	172.7	0	0	0	0	110.5	V38 A39 S45 L46	V38-V42 HydrophobicContact CG1-CG2 4.49Å; V38-V42 WeakPolarHBondContact O-CG2 3.38Å; V38-V42 PolarHBondContact O-N 3.4Å; A39-V42 PolarHBondContact O-N 3.42Å; V42-S45 PolarHBondContact O-N 2.85Å; V42-L46 WeakPolarHBondContact O-CB 3.18Å; V42-L46 PolarHBondContact O-N 2.92Å
43	L	84.9	Confident	82.5	Confident	69 Å²	69	61 Å²	61	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-50.1	177.8	-178.7	69.3	0	0	0	111.5	A39 V40 F41 S45 L46 L47 L341	A39-L43 VanDerWaalsContact O-CB 3.28Å; A39-L43 WeakPolarHBondContact O-CB 3.48Å; A39-L43 PolarHBondContact O-N 2.77Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 PolarHBondContact O-N 3.45Å; F41-L43 VanDerWaalsContact C-N 3.34Å; L43-S45 PolarHBondContact O-N 3.41Å; L43-L46 PolarHBondContact O-N 3.08Å; L43-L47 HydrophobicContact CD1-CD1 4.38Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.5Å; L43-L47 WeakPolarHBondContact O-CB 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.2Å; L43-L341 HydrophobicContact CD2-CD2 4.45Å
44	I	81.6	Confident	83	Confident	17 Å²	17	61 Å²	61	9%	0.087	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-43.5	179.5	-67.5	166.5	0	0	0	110.7	V40 F41 L46 L47 V48 I328 A331 V332 T337	V40-I44 HydrophobicContact CG1-CD1 3.61Å; V40-I44 HydrophobicContact CG1-CG1 4.4Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.1Å; V40-I44 PolarHBondContact O-N 3.41Å; F41-I44 PolarHBondContact O-N 3.3Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.02Å; I44-L47 PolarHBondContact O-N 3.46Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.43Å; I44-V48 PolarHBondContact O-N 3.44Å; I44-I328 HydrophobicContact CG2-CG2 3.86Å; I44-A331 VanDerWaalsContact CD1-C 3.45Å; I44-A331 HydrophobicContact CD1-CB 4.02Å; I44-A331 VanDerWaalsContact CD1-O 3.28Å; I44-A331 WeakPolarHBondContact CD1-O 3.27Å; I44-A331 HydrophobicContact CG1-CB 4.47Å; I44-V332 HydrophobicContact CD1-CG2 4.09Å; I44-T337 HydrophobicContact CD1-CG2 4.43Å
45	S	81.4	Confident	83.4	Confident	34 Å²	34	63.6 Å²	63.6	24%	0.238	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-41.6	176.6	-65.2	0	0	0	0	111.4	F41 V42 L43 V48 N49	F41-S45 VanDerWaalsContact O-CB 3.31Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 2.83Å; F41-S45 PolarHBondContact O-OG 3.17Å; V42-S45 PolarHBondContact O-N 2.85Å; L43-S45 PolarHBondContact O-N 3.41Å; S45-V48 PolarHBondContact O-N 3.17Å; S45-N49 WeakPolarHBondContact O-CB 3.23Å; S45-N49 PolarHBondContact O-N 3.27Å; S45-N49 PolarHBondContact O-ND2 3.47Å
46	L	84.8	Confident	83.4	Confident	97 Å²	97	63.1 Å²	63.1	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-67.6	-41.9	176.9	-167.6	132.6	0	0	0	111.8	V42 L43 I44 V48 V50 V73	V42-L46 WeakPolarHBondContact O-CB 3.18Å; V42-L46 PolarHBondContact O-N 2.92Å; L43-L46 PolarHBondContact O-N 3.08Å; I44-L46 VanDerWaalsContact C-N 3.27Å; I44-L46 PolarHBondContact O-N 3.02Å; L46-V48 VanDerWaalsContact C-N 3.29Å; L46-V48 PolarHBondContact O-N 3.42Å; L46-V50 HydrophobicContact CG-CG2 4.04Å; L46-V50 WeakPolarHBondContact O-CB 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.47Å; L46-V50 PolarHBondContact O-N 3.09Å; L46-V73 WeakPolarHBondContact O-CG1 3.43Å
47	L	84	Confident	83.5	Confident	35 Å²	35	67.1 Å²	67.1	18%	0.183	36%	0.362	C	S	.	.	H	α-helix	trans	-63.7	-31.3	177.7	-71.1	170.8	0	0	0	113	L43 I44 P72 V73 G74	L43-L47 HydrophobicContact CD1-CD1 4.38Å; L43-L47 HydrophobicContact CG-CD1 3.97Å; L43-L47 HydrophobicContact CG-CG 4.5Å; L43-L47 WeakPolarHBondContact O-CB 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.2Å; I44-L47 PolarHBondContact O-N 3.46Å; L47-P72 WeakPolarHBondContact O-CB 3.43Å; L47-V73 PolarHBondContact O-N 3.37Å; L47-G74 PolarHBondContact O-N 2.75Å
48	V	81.8	Confident	83.2	Confident	13 Å²	13	68.5 Å²	68.5	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-92.9	-44.5	-177.2	178.7	0	0	0	0	112.8	M1 I44 S45 L46 I328	M1-V48 HydrophobicContact SD-CG1 4.33Å; I44-V48 HydrophobicContact CG2-CG2 4.24Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.43Å; I44-V48 PolarHBondContact O-N 3.44Å; S45-V48 PolarHBondContact O-N 3.17Å; L46-V48 VanDerWaalsContact C-N 3.29Å; L46-V48 PolarHBondContact O-N 3.42Å; V48-I328 HydrophobicContact CG2-CD1 3.51Å; V48-I328 HydrophobicContact CG2-CG1 3.96Å; V48-I328 HydrophobicContact CG2-CG2 3.89Å
49	N	80.9	Confident	82.5	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	37%	0.369	S	S	*	.	H	α-helix	trans	-84.7	-31.2	-169.6	-69.7	-32.8	0	0	0	113.6	S45 R51	S45-N49 WeakPolarHBondContact O-CB 3.23Å; S45-N49 PolarHBondContact O-N 3.27Å; S45-N49 PolarHBondContact O-ND2 3.47Å; N49-R51 PolarHBondContact O-N 3.1Å
50	V	84.2	Confident	81.6	Confident	71 Å²	71	69.3 Å²	69.3	43%	0.43	37%	0.373	S	S	.	.			trans	-73.2	117.1	174.1	-178.8	0	0	0	0	107.6	L46 P72 V73	L46-V50 HydrophobicContact CG-CG2 4.04Å; L46-V50 WeakPolarHBondContact O-CB 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.47Å; L46-V50 PolarHBondContact O-N 3.09Å; V50-P72 CarbonylContact O-C 3.53Å; V50-V73 HydrophobicContact CB-CB 4.07Å; V50-V73 HydrophobicContact CB-CG1 3.84Å; V50-V73 HydrophobicContact CG1-CB 4.04Å; V50-V73 HydrophobicContact CG1-CG1 4.2Å; V50-V73 HydrophobicContact CG1-CG2 4.42Å; V50-V73 WeakPolarHBondContact O-CB 3.48Å; V50-V73 PolarHBondContact O-N 3.34Å
51	R	84.6	Confident	80.7	Confident	133 Å²	133	71.1 Å²	71.1	50%	0.502	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.7	-179.3	-62.7	-178.6	-172.8	175.6	3.4	110.7	N49 V71	N49-R51 PolarHBondContact O-N 3.1Å; R51-V71 CarbonylContact C-O 3.26Å; R51-V71 VanDerWaalsContact CA-O 3.3Å; R51-V71 WeakPolarHBondContact CA-O 3.28Å
52	T	87.1	Confident	79.7	Confident	61 Å²	61	72.5 Å²	72.5	37%	0.374	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.4	177.7	-170.4	0	0	0	0	110.4	V54 V71 A76	T52-V54 HydrophobicContact CG2-CG2 4.3Å; T52-V71 PolarHBondContact N-O 3.13Å; T52-V71 PolarHBondContact O-N 3.32Å; T52-A76 HydrophobicContact CG2-CB 3.48Å; T52-A76 VanDerWaalsContact CG2-CB 3.48Å
53	S	87.1	Confident	78.7	Confident	59 Å²	59	74.4 Å²	74.4	41%	0.413	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131	172	56.5	0	0	0	0	109.9	D69	S53-D69 WeakPolarHBondContact CB-OD1 3.41Å
54	V	86	Confident	77.7	Confident	35 Å²	35	76 Å²	76	21%	0.212	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.2	178.8	-178	0	0	0	0	109.4	T52 V68 V71 A76	T52-V54 HydrophobicContact CG2-CG2 4.3Å; V54-V68 PolarHBondContact N-O 3.14Å; V54-V68 PolarHBondContact O-N 2.68Å; V54-V71 HydrophobicContact CB-CG2 4.36Å; V54-V71 HydrophobicContact CG2-CB 3.99Å; V54-V71 HydrophobicContact CG2-CG1 4.28Å; V54-V71 HydrophobicContact CG2-CG2 4.05Å; V54-A76 HydrophobicContact CG2-CB 3.67Å
55	Q	86.6	Confident	77.4	Confident	129 Å²	129	79 Å²	79	60%	0.603	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.8	171.1	-68.1	176.7	-11.9	0	0	108.9	V65	Q55-V65 HydrophobicContact CB-CG1 4.42Å
56	I	83.6	Confident	77.4	Confident	90 Å²	90	82.2 Å²	82.2	46%	0.462	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.5	172.9	-56.8	171.6	0	0	0	106.3	H66 V68	I56-H66 HydrophobicContact CB-CB 4.42Å; I56-H66 PolarHBondContact N-O 3.48Å; I56-H66 PolarHBondContact O-N 3.2Å; I56-H66 VanDerWaalsContact O-N 3.17Å; I56-V68 HydrophobicContact CD1-CG2 3.91Å
57	I	81.2	Confident	77.5	Confident	106 Å²	106	85.1 Å²	85.1	54%	0.544	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115	175.7	-58.6	170.4	0	0	0	106
58	D	74.3	Confident	77.4	Confident	75 Å²	75	86.6 Å²	86.6	40%	0.401	45%	0.454	S	S	.	.			trans	-87.7	117.6	171.8	-170.4	-12.6	0	0	0	108.8	S60 D61 L62	D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.08Å; D58-S60 PolarHBondContact OD1-N 3.14Å; D58-S60 PolarHBondContact OD1-OG 3.16Å; D58-D61 CarbonylContact O-C 3.44Å; D58-D61 PolarHBondContact O-N 3.45Å; D58-D61 VanDerWaalsContact O-O 3.13Å; D58-L62 PolarHBondContact O-N 3.17Å
59	N	69.5	Low	77.6	Confident	62 Å²	62	90 Å²	90	33%	0.332	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.2	176.8	-75.8	0.2	0	0	0	112.5	H87	N59-H87 PolarHBondContact ND2-CD2 3.09Å; N59-H87 VanDerWaalsContact ND2-CD2 3.26Å; N59-H87 PolarHBondContact ND2-NE2 3.12Å
60	S	64.7	Low	77.7	Confident	81 Å²	81	90.3 Å²	90.3	57%	0.566	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.1	177.4	-40.5	0	0	0	0	113	D58 R227	D58-S60 PolarHBondContact O-N 3.24Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.08Å; D58-S60 PolarHBondContact OD1-N 3.14Å; D58-S60 PolarHBondContact OD1-OG 3.16Å; S60-R227 PolarHBondContact O-NH2 3.03Å
61	D	62	Low	77.7	Confident	52 Å²	52	88 Å²	88	28%	0.278	46%	0.46	S	S	.	.			trans	-140.6	85.4	175.5	-173.9	-1.7	0	0	0	109.5	D58 V63 Q64	D58-D61 CarbonylContact O-C 3.44Å; D58-D61 PolarHBondContact O-N 3.45Å; D58-D61 VanDerWaalsContact O-O 3.13Å; D61-V63 PolarHBondContact O-N 3.49Å; D61-V63 WeakPolarHBondContact OD1-CB 3.22Å; D61-V63 PolarHBondContact OD1-N 3.06Å; D61-V63 VanDerWaalsContact OD1-N 3.08Å; D61-Q64 PolarHBondContact O-N 2.88Å; D61-Q64 WeakPolarHBondContact OD2-CG 3.48Å; D61-Q64 PolarHBondContact OD2-NE2 3.15Å; D61-Q64 VanDerWaalsContact OD2-NE2 3.16Å
62	L	59.9	Low	77.8	Confident	111 Å²	111	82.3 Å²	82.3	58%	0.581	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.2	179.7	-67.2	168.7	0	0	0	113.1	D58	D58-L62 PolarHBondContact O-N 3.17Å
63	V	61.6	Low	77.8	Confident	125 Å²	125	81 Å²	81	76%	0.758	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.1	-177.3	-171.1	0	0	0	0	111.1	D61	D61-V63 PolarHBondContact O-N 3.49Å; D61-V63 WeakPolarHBondContact OD1-CB 3.22Å; D61-V63 PolarHBondContact OD1-N 3.06Å; D61-V63 VanDerWaalsContact OD1-N 3.08Å
64	Q	65.2	Low	77.6	Confident	102 Å²	102	78.2 Å²	78.2	48%	0.477	41%	0.412	S	S	.	.			trans	-103.5	91.4	-177.5	-65.2	-168.2	43.5	0	0	112.5	D61 H66	D61-Q64 PolarHBondContact O-N 2.88Å; D61-Q64 WeakPolarHBondContact OD2-CG 3.48Å; D61-Q64 PolarHBondContact OD2-NE2 3.15Å; D61-Q64 VanDerWaalsContact OD2-NE2 3.16Å; Q64-H66 PolarHBondContact OE1-CE1 2.97Å
65	V	75.5	Confident	77.6	Confident	80 Å²	80	77.4 Å²	77.4	49%	0.485	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.2	169.9	-177.4	0	0	0	0	109.7	Q55	Q55-V65 HydrophobicContact CB-CG1 4.42Å
66	H	81.8	Confident	77.6	Confident	102 Å²	102	71.5 Å²	71.5	47%	0.472	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.9	177.9	-60.8	-56.7	0	0	0	111	I56 Q64	I56-H66 HydrophobicContact CB-CB 4.42Å; I56-H66 PolarHBondContact N-O 3.48Å; I56-H66 PolarHBondContact O-N 3.2Å; I56-H66 VanDerWaalsContact O-N 3.17Å; Q64-H66 PolarHBondContact OE1-CE1 2.97Å
67	R	85.2	Confident	77.7	Confident	158 Å²	158	73 Å²	73	60%	0.596	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.6	175.9	-177.7	178.7	171.1	154.3	1.2	110.4	D69	R67-D69 IonicContact CZ-OD1 3.49Å; R67-D69 IonicContact NE-OD1 2.87Å; R67-D69 PolarHBondContact NE-OD1 3.45Å; R67-D69 IonicContact NE-OD2 3.79Å; R67-D69 IonicContact NH2-OD1 3.21Å; R67-D69 PolarHBondContact NH2-OD1 2.78Å
68	V	83.5	Confident	78	Confident	67 Å²	67	68.7 Å²	68.7	41%	0.406	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.4	174.8	-174.9	0	0	0	0	109	V54 I56 V71	V54-V68 PolarHBondContact N-O 3.14Å; V54-V68 PolarHBondContact O-N 2.68Å; I56-V68 HydrophobicContact CD1-CG2 3.91Å; V68-V71 HydrophobicContact CB-CG2 4.33Å; V68-V71 HydrophobicContact CG1-CG2 3.83Å
69	D	84.3	Confident	78.6	Confident	84 Å²	84	66.4 Å²	66.4	45%	0.449	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	161.3	176.5	-65.2	-42.6	0	0	0	111.6	S53 R67	S53-D69 WeakPolarHBondContact CB-OD1 3.41Å; R67-D69 IonicContact CZ-OD1 3.49Å; R67-D69 IonicContact NE-OD1 2.87Å; R67-D69 PolarHBondContact NE-OD1 3.45Å; R67-D69 IonicContact NE-OD2 3.79Å; R67-D69 IonicContact NH2-OD1 3.21Å; R67-D69 PolarHBondContact NH2-OD1 2.78Å
70	N	84.3	Confident	79.4	Confident	114 Å²	114	65.7 Å²	65.7	61%	0.61	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	66.2	34.2	174.9	-64.8	-49.3	0	0	0	116.8
71	V	84.4	Confident	80.5	Confident	22 Å²	22	66.6 Å²	66.6	13%	0.133	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.2	176.9	-172.8	0	0	0	0	110.7	R51 T52 V54 V68 L75 A76	R51-V71 CarbonylContact C-O 3.26Å; R51-V71 VanDerWaalsContact CA-O 3.3Å; R51-V71 WeakPolarHBondContact CA-O 3.28Å; T52-V71 PolarHBondContact N-O 3.13Å; T52-V71 PolarHBondContact O-N 3.32Å; V54-V71 HydrophobicContact CB-CG2 4.36Å; V54-V71 HydrophobicContact CG2-CB 3.99Å; V54-V71 HydrophobicContact CG2-CG1 4.28Å; V54-V71 HydrophobicContact CG2-CG2 4.05Å; V68-V71 HydrophobicContact CB-CG2 4.33Å; V68-V71 HydrophobicContact CG1-CG2 3.83Å; V71-L75 HydrophobicContact CG1-CB 4.29Å; V71-L75 HydrophobicContact CG1-CD2 3.83Å; V71-L75 HydrophobicContact CG1-CG 4.17Å; V71-A76 HydrophobicContact CB-CB 4.48Å; V71-A76 HydrophobicContact CG1-CB 4.03Å
72	P	85.6	Confident	81.7	Confident	14 Å²	14	64.7 Å²	64.7	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	138	175.1	-25.3	34.5	0	0	0	112.7	M1 L47 V50 G74 L75 A76 F324	M1-P72 HydrophobicContact SD-CG 3.85Å; L47-P72 WeakPolarHBondContact O-CB 3.43Å; V50-P72 CarbonylContact O-C 3.53Å; P72-G74 PolarHBondContact O-N 2.8Å; P72-L75 PolarHBondContact O-N 3.09Å; P72-A76 PolarHBondContact O-N 2.81Å; P72-F324 HydrophobicContact CB-CE1 3.95Å; P72-F324 HydrophobicContact CB-CZ 4.38Å; P72-F324 HydrophobicContact CG-CE1 4.25Å
73	V	86.8	Confident	83	Confident	32 Å²	32	62 Å²	62	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-28.7	-175.3	84	0	0	0	0	111.9	L46 L47 V50 L75 A76 M77	L46-V73 WeakPolarHBondContact O-CG1 3.43Å; L47-V73 PolarHBondContact O-N 3.37Å; V50-V73 HydrophobicContact CB-CB 4.07Å; V50-V73 HydrophobicContact CB-CG1 3.84Å; V50-V73 HydrophobicContact CG1-CB 4.04Å; V50-V73 HydrophobicContact CG1-CG1 4.2Å; V50-V73 HydrophobicContact CG1-CG2 4.42Å; V50-V73 WeakPolarHBondContact O-CB 3.48Å; V50-V73 PolarHBondContact O-N 3.34Å; V73-L75 PolarHBondContact O-N 2.96Å; V73-A76 PolarHBondContact O-N 2.98Å; V73-M77 HydrophobicContact CG2-CB 4.27Å; V73-M77 WeakPolarHBondContact O-CB 3.46Å; V73-M77 PolarHBondContact O-N 3.2Å
74	G	83.1	Confident	84.2	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-20.8	176.4	0	0	0	0	0	114.6	L47 P72 P78 F324	L47-G74 PolarHBondContact O-N 2.75Å; P72-G74 PolarHBondContact O-N 2.8Å; G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.43Å; G74-P78 WeakPolarHBondContact O-CG 3.4Å; G74-F324 VanDerWaalsContact C-CZ 3.49Å; G74-F324 WeakPolarHBondContact O-CE2 3.5Å
75	L	87	Confident	85.2	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.094	33%	0.325	C	S	.	.	H	α-helix	trans	-89.6	-48.6	168.2	175.8	61.7	0	0	0	110.3	V71 P72 V73 M77 L79 I321 F324 Y344	V71-L75 HydrophobicContact CG1-CB 4.29Å; V71-L75 HydrophobicContact CG1-CD2 3.83Å; V71-L75 HydrophobicContact CG1-CG 4.17Å; P72-L75 PolarHBondContact O-N 3.09Å; V73-L75 PolarHBondContact O-N 2.96Å; L75-M77 PolarHBondContact O-N 3.02Å; L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 PolarHBondContact O-N 3.03Å; L75-I321 HydrophobicContact CD1-CB 4.38Å; L75-I321 HydrophobicContact CD1-CG1 4.18Å; L75-I321 HydrophobicContact CD1-CG2 4.28Å; L75-I321 HydrophobicContact CD2-CG2 3.89Å; L75-F324 HydrophobicContact CB-CD1 3.9Å; L75-F324 HydrophobicContact CB-CD2 4.14Å; L75-F324 HydrophobicContact CB-CE1 3.82Å; L75-F324 HydrophobicContact CB-CE2 4.09Å; L75-F324 HydrophobicContact CB-CG 4.05Å; L75-F324 HydrophobicContact CB-CZ 3.93Å; L75-F324 HydrophobicContact CD1-CB 4.17Å; L75-F324 HydrophobicContact CD1-CD2 4.38Å; L75-F324 HydrophobicContact CD1-CG 4.18Å; L75-F324 HydrophobicContact CD2-CD1 4.46Å; L75-Y344 WeakPolarHBondContact CD1-OH 3.27Å
76	A	86.3	Confident	85.6	Confident	6 Å²	6	60.7 Å²	60.7	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-39.9	-172.2	0	0	0	0	0	113.4	T52 V54 V71 P72 V73 S80	T52-A76 HydrophobicContact CG2-CB 3.48Å; T52-A76 VanDerWaalsContact CG2-CB 3.48Å; V54-A76 HydrophobicContact CG2-CB 3.67Å; V71-A76 HydrophobicContact CB-CB 4.48Å; V71-A76 HydrophobicContact CG1-CB 4.03Å; P72-A76 PolarHBondContact O-N 2.81Å; V73-A76 PolarHBondContact O-N 2.98Å; A76-S80 WeakPolarHBondContact O-CB 3.19Å; A76-S80 PolarHBondContact O-N 3.1Å; A76-S80 PolarHBondContact O-OG 3.38Å
77	M	86.2	Confident	85.8	Confident	121 Å²	121	59.8 Å²	59.8	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-70.7	-51.7	-175.1	-175.5	-116.1	-112.3	0	0	112.4	V73 L75 L79 S80 L81	V73-M77 HydrophobicContact CG2-CB 4.27Å; V73-M77 WeakPolarHBondContact O-CB 3.46Å; V73-M77 PolarHBondContact O-N 3.2Å; L75-M77 PolarHBondContact O-N 3.02Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 2.79Å; M77-S80 PolarHBondContact O-N 3.23Å; M77-S80 PolarHBondContact O-OG 3.42Å; M77-S80 VanDerWaalsContact O-OG 3.07Å; M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 PolarHBondContact O-N 3.31Å
78	P	85.9	Confident	85.8	Confident	15 Å²	15	54.5 Å²	54.5	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-40.8	175.3	-24.1	35.7	0	0	0	112.9	G74 T82 V345 L348	G74-P78 VanDerWaalsContact O-CD 3.23Å; G74-P78 WeakPolarHBondContact O-CD 3.43Å; G74-P78 WeakPolarHBondContact O-CG 3.4Å; P78-T82 WeakPolarHBondContact O-CB 3.37Å; P78-T82 VanDerWaalsContact O-CG2 3.24Å; P78-T82 WeakPolarHBondContact O-CG2 3.32Å; P78-T82 PolarHBondContact O-N 3.29Å; P78-T82 PolarHBondContact O-OG1 3.16Å; P78-V345 HydrophobicContact CB-CG2 4.39Å; P78-L348 HydrophobicContact CB-CD1 3.9Å
79	L	86.8	Confident	85.9	Confident	27 Å²	27	56.2 Å²	56.2	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-44.5	-178.7	-168.1	71.4	0	0	0	111.7	L75 M77 T82 T83 T317 I321 L348	L75-L79 WeakPolarHBondContact O-CB 3.47Å; L75-L79 PolarHBondContact O-N 3.03Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 2.79Å; L79-T82 PolarHBondContact O-OG1 3.25Å; L79-T83 VanDerWaalsContact O-CB 3.23Å; L79-T83 WeakPolarHBondContact O-CB 3.39Å; L79-T83 PolarHBondContact O-N 3.02Å; L79-T83 PolarHBondContact O-OG1 3.19Å; L79-T317 HydrophobicContact CD1-CG2 4.21Å; L79-I321 HydrophobicContact CD1-CG1 4.45Å; L79-I321 HydrophobicContact CD2-CD1 3.84Å; L79-I321 HydrophobicContact CD2-CG1 4.02Å; L79-L348 HydrophobicContact CD1-CD2 3.94Å
80	S	87	Confident	85.9	Confident	47 Å²	47	52.6 Å²	52.6	33%	0.329	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-41.1	177.8	61.7	0	0	0	0	112.4	A76 M77 R84	A76-S80 WeakPolarHBondContact O-CB 3.19Å; A76-S80 PolarHBondContact O-N 3.1Å; A76-S80 PolarHBondContact O-OG 3.38Å; M77-S80 PolarHBondContact O-N 3.23Å; M77-S80 PolarHBondContact O-OG 3.42Å; M77-S80 VanDerWaalsContact O-OG 3.07Å; S80-R84 VanDerWaalsContact O-CB 3.25Å; S80-R84 WeakPolarHBondContact O-CB 3.47Å; S80-R84 WeakPolarHBondContact O-CG 3.33Å; S80-R84 PolarHBondContact O-N 3.06Å
81	L	88.2	Confident	85.9	Confident	101 Å²	101	49.7 Å²	49.7	53%	0.529	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-51.9	177.9	-176.3	68.3	0	0	0	111.1	M77 T83 R84 I85	M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 PolarHBondContact O-N 3.31Å; L81-T83 PolarHBondContact O-N 3.5Å; L81-R84 PolarHBondContact O-N 3.21Å; L81-I85 HydrophobicContact CD1-CD1 3.9Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.84Å; L81-I85 WeakPolarHBondContact O-CB 3.31Å; L81-I85 VanDerWaalsContact O-CG1 3.23Å; L81-I85 WeakPolarHBondContact O-CG1 3.12Å; L81-I85 PolarHBondContact O-N 3.03Å
82	T	87	Confident	85.8	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-40.5	-177.9	54.3	0	0	0	0	112	P78 L79 G86 L348 M349	P78-T82 WeakPolarHBondContact O-CB 3.37Å; P78-T82 VanDerWaalsContact O-CG2 3.24Å; P78-T82 WeakPolarHBondContact O-CG2 3.32Å; P78-T82 PolarHBondContact O-N 3.29Å; P78-T82 PolarHBondContact O-OG1 3.16Å; L79-T82 PolarHBondContact O-OG1 3.25Å; T82-G86 PolarHBondContact O-N 3.17Å; T82-L348 HydrophobicContact CG2-CB 4.2Å; T82-M349 HydrophobicContact CG2-CG 3.75Å
83	T	86.9	Confident	85.9	Confident	56 Å²	56	53.2 Å²	53.2	34%	0.344	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-42	177.5	-50.8	0	0	0	0	111.9	L79 L81 G86 H87 Q352	L79-T83 VanDerWaalsContact O-CB 3.23Å; L79-T83 WeakPolarHBondContact O-CB 3.39Å; L79-T83 PolarHBondContact O-N 3.02Å; L79-T83 PolarHBondContact O-OG1 3.19Å; L81-T83 PolarHBondContact O-N 3.5Å; T83-G86 PolarHBondContact O-N 3.1Å; T83-H87 VanDerWaalsContact O-CB 3.22Å; T83-H87 WeakPolarHBondContact O-CB 3.44Å; T83-H87 PolarHBondContact O-N 3.46Å; T83-Q352 PolarHBondContact OG1-NE2 3.28Å; T83-Q352 VanDerWaalsContact OG1-NE2 3.07Å
84	R	86.8	Confident	85.6	Confident	192 Å²	192	52.8 Å²	52.8	73%	0.725	28%	0.279	S	S	*	.	H	α-helix	trans	-64.1	-43.2	176.7	-77.5	177.1	-179.4	-172.1	0.8	111.9	S80 L81 A88	S80-R84 VanDerWaalsContact O-CB 3.25Å; S80-R84 WeakPolarHBondContact O-CB 3.47Å; S80-R84 WeakPolarHBondContact O-CG 3.33Å; S80-R84 PolarHBondContact O-N 3.06Å; L81-R84 PolarHBondContact O-N 3.21Å; R84-A88 WeakPolarHBondContact O-CB 3.31Å; R84-A88 PolarHBondContact O-N 3.4Å
85	I	85.8	Confident	85.5	Confident	80 Å²	80	59.6 Å²	59.6	41%	0.41	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-48.6	176.3	-68.5	169.5	0	0	0	109.9	L81 H87 A88 M89	L81-I85 HydrophobicContact CD1-CD1 3.9Å; L81-I85 HydrophobicContact CD1-CG1 4.49Å; L81-I85 HydrophobicContact CG-CD1 3.84Å; L81-I85 WeakPolarHBondContact O-CB 3.31Å; L81-I85 VanDerWaalsContact O-CG1 3.23Å; L81-I85 WeakPolarHBondContact O-CG1 3.12Å; L81-I85 PolarHBondContact O-N 3.03Å; I85-H87 PolarHBondContact O-N 2.96Å; I85-A88 PolarHBondContact O-N 3.41Å; I85-M89 HydrophobicContact CG2-CE 3.78Å; I85-M89 HydrophobicContact CG2-CG 4.41Å; I85-M89 HydrophobicContact CG2-SD 4.06Å; I85-M89 WeakPolarHBondContact O-CB 3.38Å; I85-M89 VanDerWaalsContact O-CG 3.3Å; I85-M89 WeakPolarHBondContact O-CG 3.17Å; I85-M89 PolarHBondContact O-N 2.67Å
86	G	85.7	Confident	85.3	Confident	6 Å²	6	64.8 Å²	64.8	6%	0.062	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-48.5	178.4	0	0	0	0	0	112.4	T82 T83 M89 V90	T82-G86 PolarHBondContact O-N 3.17Å; T83-G86 PolarHBondContact O-N 3.1Å; G86-M89 PolarHBondContact O-N 3.19Å; G86-V90 WeakPolarHBondContact O-CG2 3.25Å; G86-V90 PolarHBondContact O-N 3.48Å
87	H	84.8	Confident	84.9	Confident	83 Å²	83	69.9 Å²	69.9	38%	0.384	36%	0.36	S	S	.	.	H	α-helix	trans	-61.7	-46.2	176.7	-176.2	-85.7	0	0	0	112.3	N59 T83 I85 M89 V90 V91	N59-H87 PolarHBondContact ND2-CD2 3.09Å; N59-H87 VanDerWaalsContact ND2-CD2 3.26Å; N59-H87 PolarHBondContact ND2-NE2 3.12Å; T83-H87 VanDerWaalsContact O-CB 3.22Å; T83-H87 WeakPolarHBondContact O-CB 3.44Å; T83-H87 PolarHBondContact O-N 3.46Å; I85-H87 PolarHBondContact O-N 2.96Å; H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.39Å; H87-V90 PolarHBondContact O-N 2.8Å; H87-V91 VanDerWaalsContact CE1-CG2 3.5Å; H87-V91 WeakPolarHBondContact CE1-CG2 3.4Å; H87-V91 WeakPolarHBondContact O-CG2 3.3Å; H87-V91 PolarHBondContact O-N 3.3Å
88	A	86	Confident	84.2	Confident	48 Å²	48	69.6 Å²	69.6	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-61.1	-42.1	177.4	0	0	0	0	0	111.4	R84 I85 V91 S92	R84-A88 WeakPolarHBondContact O-CB 3.31Å; R84-A88 PolarHBondContact O-N 3.4Å; I85-A88 PolarHBondContact O-N 3.41Å; A88-V91 PolarHBondContact O-N 2.95Å; A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 3.4Å; A88-S92 PolarHBondContact O-OG 2.66Å
89	M	86.1	Confident	83.6	Confident	102 Å²	102	70.3 Å²	70.3	50%	0.502	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-43.4	176.5	-75.3	-178.6	172.1	0	0	112.4	I85 G86 H87 Y93 L356	I85-M89 HydrophobicContact CG2-CE 3.78Å; I85-M89 HydrophobicContact CG2-CG 4.41Å; I85-M89 HydrophobicContact CG2-SD 4.06Å; I85-M89 WeakPolarHBondContact O-CB 3.38Å; I85-M89 VanDerWaalsContact O-CG 3.3Å; I85-M89 WeakPolarHBondContact O-CG 3.17Å; I85-M89 PolarHBondContact O-N 2.67Å; G86-M89 PolarHBondContact O-N 3.19Å; H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.39Å; M89-Y93 WeakPolarHBondContact O-CB 3.09Å; M89-Y93 PolarHBondContact O-N 2.76Å; M89-L356 HydrophobicContact CB-CD1 4.21Å; M89-L356 HydrophobicContact CB-CD2 4.28Å; M89-L356 HydrophobicContact SD-CD2 4.21Å
90	V	84	Confident	82.7	Confident	9 Å²	9	71.2 Å²	71.2	6%	0.055	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-52.4	176.5	172.4	0	0	0	0	110.7	G86 H87 S92 Y93 E94 P355 L356 A359	G86-V90 WeakPolarHBondContact O-CG2 3.25Å; G86-V90 PolarHBondContact O-N 3.48Å; H87-V90 PolarHBondContact O-N 2.8Å; V90-S92 PolarHBondContact O-N 3.12Å; V90-Y93 WeakPolarHBondContact O-CB 3.37Å; V90-Y93 PolarHBondContact O-N 2.92Å; V90-E94 WeakPolarHBondContact O-CG 3.43Å; V90-E94 PolarHBondContact O-N 3.39Å; V90-P355 HydrophobicContact CG2-CB 3.82Å; V90-L356 HydrophobicContact CG2-CB 4.26Å; V90-A359 HydrophobicContact CG1-CB 4.06Å
91	V	82.8	Confident	81.7	Confident	53 Å²	53	73.3 Å²	73.3	32%	0.321	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-39.2	-178.3	173.6	0	0	0	0	111.5	H87 A88 E94 M95	H87-V91 VanDerWaalsContact CE1-CG2 3.5Å; H87-V91 WeakPolarHBondContact CE1-CG2 3.4Å; H87-V91 WeakPolarHBondContact O-CG2 3.3Å; H87-V91 PolarHBondContact O-N 3.3Å; A88-V91 PolarHBondContact O-N 2.95Å; V91-E94 PolarHBondContact O-N 2.96Å; V91-M95 VanDerWaalsContact O-CB 3.29Å; V91-M95 WeakPolarHBondContact O-CB 3.28Å; V91-M95 PolarHBondContact O-N 3.22Å
92	S	83.9	Confident	80.5	Confident	66 Å²	66	68.5 Å²	68.5	46%	0.462	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.4	-67.7	0	0	0	0	111.9	A88 V90 M95 I96	A88-S92 WeakPolarHBondContact O-CB 3.5Å; A88-S92 PolarHBondContact O-N 3.4Å; A88-S92 PolarHBondContact O-OG 2.66Å; V90-S92 PolarHBondContact O-N 3.12Å; S92-M95 PolarHBondContact O-N 3.49Å; S92-I96 WeakPolarHBondContact O-CD1 3.37Å; S92-I96 VanDerWaalsContact O-CG1 3.28Å; S92-I96 WeakPolarHBondContact O-CG1 3.47Å; S92-I96 PolarHBondContact O-N 3.06Å; S92-I96 VanDerWaalsContact O-N 3.14Å
93	Y	86	Confident	79.8	Confident	44 Å²	44	68 Å²	68	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-47.6	175	175.2	-96.1	0	0	0	111.6	M89 V90 M95 I96 F97 A359 I360 S363	M89-Y93 WeakPolarHBondContact O-CB 3.09Å; M89-Y93 PolarHBondContact O-N 2.76Å; V90-Y93 WeakPolarHBondContact O-CB 3.37Å; V90-Y93 PolarHBondContact O-N 2.92Å; Y93-M95 VanDerWaalsContact C-N 3.31Å; Y93-M95 PolarHBondContact O-N 2.74Å; Y93-I96 PolarHBondContact O-N 2.9Å; Y93-F97 AromaticContact CD2-CD2 3.95Å; Y93-F97 HydrophobicContact CD2-CD2 3.95Å; Y93-F97 HydrophobicContact CD2-CE2 4.25Å; Y93-F97 AromaticContact CE2-CD2 3.5Å; Y93-F97 HydrophobicContact CE2-CD2 3.5Å; Y93-F97 VanDerWaalsContact CE2-CD2 3.5Å; Y93-F97 AromaticContact CE2-CE2 3.71Å; Y93-F97 HydrophobicContact CE2-CE2 3.71Å; Y93-F97 HydrophobicContact CE2-CG 4.43Å; Y93-F97 AromaticContact CZ-CD2 3.82Å; Y93-F97 PolarHBondContact O-N 3.21Å; Y93-A359 HydrophobicContact CD1-CB 4.06Å; Y93-A359 HydrophobicContact CE1-CB 4.46Å; Y93-I360 HydrophobicContact CD1-CG1 4.39Å; Y93-I360 HydrophobicContact CD2-CG1 4.08Å; Y93-I360 HydrophobicContact CE1-CG1 4.06Å; Y93-I360 HydrophobicContact CE2-CG1 3.72Å; Y93-I360 HydrophobicContact CG-CG1 4.41Å; Y93-S363 VanDerWaalsContact OH-CB 3.31Å; Y93-S363 WeakPolarHBondContact OH-CB 3Å; Y93-S363 PolarHBondContact OH-OG 3.48Å
94	E	81.4	Confident	79.3	Confident	23 Å²	23	65.9 Å²	65.9	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-67.7	-30	179.7	-68.6	175.3	157.1	0	0	112.9	V90 V91 F97 T98 T104 Y105 S106	V90-E94 WeakPolarHBondContact O-CG 3.43Å; V90-E94 PolarHBondContact O-N 3.39Å; V91-E94 PolarHBondContact O-N 2.96Å; E94-F97 CarbonylContact O-C 3.53Å; E94-F97 VanDerWaalsContact O-C 3.26Å; E94-T98 WeakPolarHBondContact O-CA 3.5Å; E94-T98 PolarHBondContact O-N 3.38Å; E94-T104 HydrophobicContact CB-CG2 4.24Å; E94-T104 HydrophobicContact CG-CG2 4.04Å; E94-T104 WeakPolarHBondContact OE1-CG2 3.42Å; E94-T104 WeakPolarHBondContact OE2-CG2 3.46Å; E94-Y105 WeakPolarHBondContact OE1-CB 3.29Å; E94-Y105 PolarHBondContact OE1-N 3.38Å; E94-S106 PolarHBondContact OE1-N 3.21Å; E94-S106 WeakPolarHBondContact OE2-CB 3.38Å; E94-S106 PolarHBondContact OE2-OG 3.34Å
95	M	82	Confident	78.7	Confident	144 Å²	144	58.4 Å²	58.4	71%	0.709	31%	0.313	S	S	*	.	H	α-helix	trans	-70.4	-32	173	-176.5	176.2	-85.8	0	0	112.4	V91 S92 Y93 T98	V91-M95 VanDerWaalsContact O-CB 3.29Å; V91-M95 WeakPolarHBondContact O-CB 3.28Å; V91-M95 PolarHBondContact O-N 3.22Å; S92-M95 PolarHBondContact O-N 3.49Å; Y93-M95 VanDerWaalsContact C-N 3.31Å; Y93-M95 PolarHBondContact O-N 2.74Å; M95-T98 VanDerWaalsContact O-CG2 3.24Å; M95-T98 WeakPolarHBondContact O-CG2 3.38Å
96	I	82.2	Confident	78.1	Confident	127 Å²	127	55.9 Å²	55.9	65%	0.651	30%	0.302	S	S	*	.	H	α-helix	trans	-75.8	-41	175.2	-66.4	164.3	0	0	0	110.6	S92 Y93	S92-I96 WeakPolarHBondContact O-CD1 3.37Å; S92-I96 VanDerWaalsContact O-CG1 3.28Å; S92-I96 WeakPolarHBondContact O-CG1 3.47Å; S92-I96 PolarHBondContact O-N 3.06Å; S92-I96 VanDerWaalsContact O-N 3.14Å; Y93-I96 PolarHBondContact O-N 2.9Å
97	F	78.4	Confident	77.5	Confident	113 Å²	113	61 Å²	61	50%	0.496	32%	0.323	S	S	.	.	S	Bend	trans	-106.1	62.7	179.2	-68.7	-84.1	0	0	0	111.2	Y93 E94 Q99	Y93-F97 AromaticContact CD2-CD2 3.95Å; Y93-F97 HydrophobicContact CD2-CD2 3.95Å; Y93-F97 HydrophobicContact CD2-CE2 4.25Å; Y93-F97 AromaticContact CE2-CD2 3.5Å; Y93-F97 HydrophobicContact CE2-CD2 3.5Å; Y93-F97 VanDerWaalsContact CE2-CD2 3.5Å; Y93-F97 AromaticContact CE2-CE2 3.71Å; Y93-F97 HydrophobicContact CE2-CE2 3.71Å; Y93-F97 HydrophobicContact CE2-CG 4.43Å; Y93-F97 AromaticContact CZ-CD2 3.82Å; Y93-F97 PolarHBondContact O-N 3.21Å; E94-F97 CarbonylContact O-C 3.53Å; E94-F97 VanDerWaalsContact O-C 3.26Å; F97-Q99 PolarHBondContact O-N 2.87Å; F97-Q99 PolarHBondContact O-NE2 3.44Å
98	T	70.9	Confident	76.9	Confident	115 Å²	115	58.7 Å²	58.7	71%	0.706	31%	0.314	S	S	*	.			trans	-53.9	124.3	-172.6	58.4	0	0	0	0	112.5	E94 M95	E94-T98 WeakPolarHBondContact O-CA 3.5Å; E94-T98 PolarHBondContact O-N 3.38Å; M95-T98 VanDerWaalsContact O-CG2 3.24Å; M95-T98 WeakPolarHBondContact O-CG2 3.38Å
99	Q	72.4	Confident	76.3	Confident	30 Å²	30	57.5 Å²	57.5	14%	0.14	31%	0.307	C	S	.	.			trans	-130.5	148.5	179.3	-89.5	164.5	84.4	0	0	108.6	F97 V103 T104 S363	F97-Q99 PolarHBondContact O-N 2.87Å; F97-Q99 PolarHBondContact O-NE2 3.44Å; Q99-V103 HydrophobicContact CB-CG2 3.92Å; Q99-V103 HydrophobicContact CG-CG2 4.33Å; Q99-T104 PolarHBondContact O-OG1 3.4Å; Q99-T104 VanDerWaalsContact O-OG1 3.07Å; Q99-S363 PolarHBondContact NE2-OG 2.99Å
100	P	68.1	Low	75.9	Confident	45 Å²	45	53.7 Å²	53.7	29%	0.292	29%	0.288	S	S	.	.			trans	-54.5	148.3	172.3	-22	28.6	0	0	0	111.2	S102 V103 T104 Y244	P100-S102 PolarHBondContact O-N 3.31Å; P100-V103 HydrophobicContact CB-CG2 4.1Å; P100-V103 HydrophobicContact CG-CG2 4.08Å; P100-V103 WeakPolarHBondContact O-CG2 3.37Å; P100-V103 PolarHBondContact O-N 3.24Å; P100-T104 PolarHBondContact O-N 3.19Å; P100-T104 VanDerWaalsContact O-N 3.11Å; P100-T104 PolarHBondContact O-OG1 2.99Å; P100-T104 VanDerWaalsContact O-OG1 3.07Å; P100-Y244 VanDerWaalsContact CD-CD2 3.41Å; P100-Y244 VanDerWaalsContact CD-CE2 3.46Å; P100-Y244 HydrophobicContact CG-CD2 3.36Å; P100-Y244 HydrophobicContact CG-CE2 3.98Å; P100-Y244 HydrophobicContact CG-CG 3.95Å
101	D	67	Low	75.4	Confident	92 Å²	92	53.4 Å²	53.4	49%	0.492	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.8	-177.6	-78.7	-13.5	0	0	0	112.4	V103 T104 K107 T108	D101-V103 PolarHBondContact O-N 2.85Å; D101-T104 PolarHBondContact O-N 3.3Å; D101-K107 HydrophobicContact CB-CG 4.41Å; D101-T108 VanDerWaalsContact O-CG2 3.26Å; D101-T108 WeakPolarHBondContact O-CG2 3.29Å; D101-T108 PolarHBondContact O-OG1 2.85Å
102	S	63.4	Low	75.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.8	176.2	66.3	0	0	0	0	116.1	P100 T108 G113 D240	P100-S102 PolarHBondContact O-N 3.31Å; S102-T108 PolarHBondContact O-OG1 2.99Å; S102-G113 WeakPolarHBondContact O-CA 3.2Å; S102-G113 PolarHBondContact O-N 3.2Å; S102-D240 WeakPolarHBondContact OG-CB 3.49Å
103	V	71.8	Confident	74.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-4.4	178.9	-69.8	0	0	0	0	112.9	Q99 P100 D101 Y244 F245 N362 T366	Q99-V103 HydrophobicContact CB-CG2 3.92Å; Q99-V103 HydrophobicContact CG-CG2 4.33Å; P100-V103 HydrophobicContact CB-CG2 4.1Å; P100-V103 HydrophobicContact CG-CG2 4.08Å; P100-V103 WeakPolarHBondContact O-CG2 3.37Å; P100-V103 PolarHBondContact O-N 3.24Å; D101-V103 PolarHBondContact O-N 2.85Å; V103-Y244 HydrophobicContact CG1-CD1 4.3Å; V103-Y244 HydrophobicContact CG2-CD1 4.34Å; V103-Y244 HydrophobicContact CG2-CE1 4.34Å; V103-Y244 HydrophobicContact CG2-CG 4.49Å; V103-F245 HydrophobicContact CG1-CE2 3.55Å; V103-F245 HydrophobicContact CG1-CZ 3.79Å; V103-N362 PolarHBondContact O-ND2 3.14Å; V103-T366 HydrophobicContact CB-CG2 3.84Å; V103-T366 HydrophobicContact CG1-CG2 4.13Å; V103-T366 HydrophobicContact CG2-CG2 4.14Å
104	T	76.7	Confident	74.3	Confident	11 Å²	11	47.8 Å²	47.8	7%	0.067	25%	0.251	C	S	.	.			trans	-76.6	128.2	178.1	-65.1	0	0	0	0	111.4	E94 Q99 P100 D101 S106 K107 T108	E94-T104 HydrophobicContact CB-CG2 4.24Å; E94-T104 HydrophobicContact CG-CG2 4.04Å; E94-T104 WeakPolarHBondContact OE1-CG2 3.42Å; E94-T104 WeakPolarHBondContact OE2-CG2 3.46Å; Q99-T104 PolarHBondContact O-OG1 3.4Å; Q99-T104 VanDerWaalsContact O-OG1 3.07Å; P100-T104 PolarHBondContact O-N 3.19Å; P100-T104 VanDerWaalsContact O-N 3.11Å; P100-T104 PolarHBondContact O-OG1 2.99Å; P100-T104 VanDerWaalsContact O-OG1 3.07Å; D101-T104 PolarHBondContact O-N 3.3Å; T104-S106 PolarHBondContact O-N 3.43Å; T104-K107 HydrophobicContact CG2-CG 4.11Å; T104-K107 PolarHBondContact O-N 3.41Å; T104-K107 VanDerWaalsContact O-N 3.15Å; T104-T108 PolarHBondContact O-N 2.77Å; T104-T108 PolarHBondContact O-OG1 3.41Å; T104-T108 VanDerWaalsContact O-OG1 3.11Å
105	Y	74.2	Confident	74	Confident	35 Å²	35	49 Å²	49	14%	0.137	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-44.2	-172.4	173.3	-101.1	0	0	0	112.5	E94 K107 G109 M110 P355 Y358 A359 N362	E94-Y105 WeakPolarHBondContact OE1-CB 3.29Å; E94-Y105 PolarHBondContact OE1-N 3.38Å; Y105-K107 PolarHBondContact O-N 2.93Å; Y105-G109 VanDerWaalsContact O-CA 3.27Å; Y105-G109 WeakPolarHBondContact O-CA 3.46Å; Y105-G109 PolarHBondContact O-N 3.42Å; Y105-M110 HydrophobicContact CD2-CB 4.08Å; Y105-M110 HydrophobicContact CE2-CB 4.06Å; Y105-P355 HydrophobicContact CE1-CB 4.36Å; Y105-Y358 VanDerWaalsContact CE2-CB 3.48Å; Y105-Y358 HydrophobicContact CE2-CD1 4.39Å; Y105-Y358 HydrophobicContact CE2-CG 4.02Å; Y105-Y358 AromaticContact CZ-CG 3.78Å; Y105-Y358 WeakPolarHBondContact OH-CB 3.38Å; Y105-Y358 WeakPolarHBondContact OH-CD2 3.36Å; Y105-A359 HydrophobicContact CD1-CB 4.01Å; Y105-A359 HydrophobicContact CG-CB 4.39Å; Y105-N362 HydrophobicContact CD2-CB 4.33Å; Y105-N362 HydrophobicContact CG-CB 4.48Å; Y105-N362 PolarHBondContact N-ND2 2.77Å
106	S	71.4	Confident	73.9	Confident	26 Å²	26	42.3 Å²	42.3	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-18.5	-180	68.1	0	0	0	0	114.5	E94 T104	E94-S106 PolarHBondContact OE1-N 3.21Å; E94-S106 WeakPolarHBondContact OE2-CB 3.38Å; E94-S106 PolarHBondContact OE2-OG 3.34Å; T104-S106 PolarHBondContact O-N 3.43Å
107	K	73.1	Confident	73.7	Confident	114 Å²	114	36.3 Å²	36.3	50%	0.496	19%	0.194	S	C	.	.	H	α-helix	trans	-100.4	-46.6	-176.5	-64.4	-65.7	-170.3	171.5	0	112.9	D101 T104 Y105	D101-K107 HydrophobicContact CB-CG 4.41Å; T104-K107 HydrophobicContact CG2-CG 4.11Å; T104-K107 PolarHBondContact O-N 3.41Å; T104-K107 VanDerWaalsContact O-N 3.15Å; Y105-K107 PolarHBondContact O-N 2.93Å
108	T	72.6	Confident	73.5	Confident	34 Å²	34	32.3 Å²	32.3	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-120.8	-12.3	-171.2	52.4	0	0	0	0	114.1	D101 S102 T104 F112 L237	D101-T108 VanDerWaalsContact O-CG2 3.26Å; D101-T108 WeakPolarHBondContact O-CG2 3.29Å; D101-T108 PolarHBondContact O-OG1 2.85Å; S102-T108 PolarHBondContact O-OG1 2.99Å; T104-T108 PolarHBondContact O-N 2.77Å; T104-T108 PolarHBondContact O-OG1 3.41Å; T104-T108 VanDerWaalsContact O-OG1 3.11Å; T108-F112 HydrophobicContact CG2-CD1 3.83Å; T108-F112 HydrophobicContact CG2-CE1 4.3Å; T108-F112 HydrophobicContact CG2-CG 4.35Å; T108-F112 WeakPolarHBondContact O-CB 3.17Å; T108-L237 HydrophobicContact CG2-CD1 4.3Å; T108-L237 HydrophobicContact CG2-CD2 3.88Å
109	G	74.9	Confident	73.9	Confident	23 Å²	23	30 Å²	30	24%	0.237	16%	0.159	C	C	.	.			trans	90.7	-173.1	-176.6	0	0	0	0	0	113.3	Y105 L111	Y105-G109 VanDerWaalsContact O-CA 3.27Å; Y105-G109 WeakPolarHBondContact O-CA 3.46Å; Y105-G109 PolarHBondContact O-N 3.42Å; G109-L111 PolarHBondContact O-N 3.3Å
110	M	75.9	Confident	74.4	Confident	23 Å²	23	28.6 Å²	28.6	11%	0.113	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	126.1	-172.5	-177.4	170.7	-130.3	0	0	112.4	Y105 F112 M306 Y358 L361 N362 S399	Y105-M110 HydrophobicContact CD2-CB 4.08Å; Y105-M110 HydrophobicContact CE2-CB 4.06Å; M110-F112 PolarHBondContact O-N 3.48Å; M110-F112 VanDerWaalsContact O-N 3.13Å; M110-M306 HydrophobicContact CG-CG 4.27Å; M110-M306 HydrophobicContact CG-SD 4.02Å; M110-M306 HydrophobicContact SD-CG 3.73Å; M110-M306 HydrophobicContact SD-SD 4.15Å; M110-Y358 HydrophobicContact CE-CD1 3.84Å; M110-Y358 HydrophobicContact CE-CE1 4.42Å; M110-Y358 HydrophobicContact SD-CD1 3.83Å; M110-Y358 HydrophobicContact SD-CE1 4.14Å; M110-L361 HydrophobicContact CE-CB 3.82Å; M110-L361 HydrophobicContact CE-CD2 3.36Å; M110-L361 HydrophobicContact CE-CG 3.4Å; M110-L361 VanDerWaalsContact CE-CG 3.4Å; M110-N362 WeakPolarHBondContact CA-OD1 3.48Å; M110-S399 WeakPolarHBondContact CE-OG 3.15Å; M110-S399 PolarHBondContact SD-OG 3.41Å
111	L	73.6	Confident	74.8	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	31.8	-179.8	-79.1	102.4	0	0	0	113.6	G109 A114 N115 M306 N362 M365 A395	G109-L111 PolarHBondContact O-N 3.3Å; L111-A114 HydrophobicContact CB-CB 4.36Å; L111-A114 HydrophobicContact CD2-CB 4.18Å; L111-A114 PolarHBondContact O-N 3.32Å; L111-N115 WeakPolarHBondContact O-CB 3.12Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 PolarHBondContact O-ND2 3.12Å; L111-M306 HydrophobicContact CD1-SD 4.26Å; L111-N362 PolarHBondContact N-OD1 2.97Å; L111-M365 HydrophobicContact CD1-CB 3.88Å; L111-M365 HydrophobicContact CD1-CG 4.24Å; L111-M365 HydrophobicContact CD2-CB 4.13Å; L111-M365 HydrophobicContact CG-CB 4.17Å; L111-A395 HydrophobicContact CD1-CB 3.37Å; L111-A395 HydrophobicContact CD2-CB 4.46Å
112	F	79.7	Confident	75.4	Confident	41 Å²	41	25.9 Å²	25.9	18%	0.18	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-53.5	-176.5	177.4	-94.2	0	0	0	112.2	T108 M110 A114 N115 L116 I223 F224 L237	T108-F112 HydrophobicContact CG2-CD1 3.83Å; T108-F112 HydrophobicContact CG2-CE1 4.3Å; T108-F112 HydrophobicContact CG2-CG 4.35Å; T108-F112 WeakPolarHBondContact O-CB 3.17Å; M110-F112 PolarHBondContact O-N 3.48Å; M110-F112 VanDerWaalsContact O-N 3.13Å; F112-A114 VanDerWaalsContact C-N 3.3Å; F112-A114 PolarHBondContact O-N 3.21Å; F112-N115 PolarHBondContact O-N 3.39Å; F112-L116 HydrophobicContact CE1-CB 4.39Å; F112-L116 HydrophobicContact CE1-CD2 3.8Å; F112-L116 HydrophobicContact CZ-CD2 4.18Å; F112-L116 VanDerWaalsContact O-CB 3.3Å; F112-L116 WeakPolarHBondContact O-CB 3.16Å; F112-L116 PolarHBondContact O-N 3.28Å; F112-I223 HydrophobicContact CE2-CG2 4.41Å; F112-I223 HydrophobicContact CZ-CG2 4.3Å; F112-F224 HydrophobicContact CE1-CE1 4.45Å; F112-F224 HydrophobicContact CE1-CZ 4.39Å; F112-F224 HydrophobicContact CE2-CE1 4.25Å; F112-F224 AromaticContact CZ-CE1 3.59Å; F112-F224 HydrophobicContact CZ-CE1 3.59Å; F112-F224 AromaticContact CZ-CZ 3.67Å; F112-F224 HydrophobicContact CZ-CZ 3.67Å; F112-L237 HydrophobicContact CE1-CB 4.14Å; F112-L237 HydrophobicContact CE1-CD1 3.78Å; F112-L237 HydrophobicContact CE1-CG 4.46Å; F112-L237 HydrophobicContact CZ-CD1 4.16Å
113	G	77.3	Confident	76.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-37.2	-179.6	0	0	0	0	0	113.8	S102 L116 I117 S241	S102-G113 WeakPolarHBondContact O-CA 3.2Å; S102-G113 PolarHBondContact O-N 3.2Å; G113-L116 PolarHBondContact O-N 2.93Å; G113-I117 WeakPolarHBondContact O-CG1 3.2Å; G113-I117 PolarHBondContact O-N 3.01Å; G113-S241 VanDerWaalsContact CA-OG 3.25Å; G113-S241 WeakPolarHBondContact CA-OG 3.34Å
114	A	73.5	Confident	77.1	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-48	174.6	0	0	0	0	0	112.1	L111 F112 L116 I117 V118 F245 Y388	L111-A114 HydrophobicContact CB-CB 4.36Å; L111-A114 HydrophobicContact CD2-CB 4.18Å; L111-A114 PolarHBondContact O-N 3.32Å; F112-A114 VanDerWaalsContact C-N 3.3Å; F112-A114 PolarHBondContact O-N 3.21Å; A114-L116 VanDerWaalsContact C-N 3.27Å; A114-L116 PolarHBondContact O-N 3.36Å; A114-I117 PolarHBondContact O-N 2.87Å; A114-V118 WeakPolarHBondContact O-CG2 3.32Å; A114-V118 PolarHBondContact O-N 3.23Å; A114-F245 HydrophobicContact CB-CE2 4.48Å; A114-F245 HydrophobicContact CB-CZ 4.16Å; A114-Y388 HydrophobicContact CB-CD1 3.82Å; A114-Y388 HydrophobicContact CB-CE1 3.84Å
115	N	75	Confident	77.5	Confident	47 Å²	47	28.7 Å²	28.7	25%	0.251	15%	0.151	S	C	.	.	H	α-helix	trans	-62.9	-35.4	174.9	-79.7	-58	0	0	0	111.9	L111 F112 V118 K119	L111-N115 WeakPolarHBondContact O-CB 3.12Å; L111-N115 PolarHBondContact O-N 3.21Å; L111-N115 PolarHBondContact O-ND2 3.12Å; F112-N115 PolarHBondContact O-N 3.39Å; N115-V118 PolarHBondContact O-N 3.05Å; N115-K119 VanDerWaalsContact O-CB 3.24Å; N115-K119 WeakPolarHBondContact O-CB 3.48Å; N115-K119 PolarHBondContact O-N 3.2Å
116	L	80.7	Confident	78.1	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-64.8	-41.7	177.4	-176.7	60.7	0	0	0	110.9	F112 G113 A114 S120 I223 F234 L237 L238	F112-L116 HydrophobicContact CE1-CB 4.39Å; F112-L116 HydrophobicContact CE1-CD2 3.8Å; F112-L116 HydrophobicContact CZ-CD2 4.18Å; F112-L116 VanDerWaalsContact O-CB 3.3Å; F112-L116 WeakPolarHBondContact O-CB 3.16Å; F112-L116 PolarHBondContact O-N 3.28Å; G113-L116 PolarHBondContact O-N 2.93Å; A114-L116 VanDerWaalsContact C-N 3.27Å; A114-L116 PolarHBondContact O-N 3.36Å; L116-S120 VanDerWaalsContact O-CB 3.22Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 2.68Å; L116-S120 PolarHBondContact O-OG 3.42Å; L116-I223 HydrophobicContact CD1-CD1 3.72Å; L116-I223 HydrophobicContact CD1-CG2 4.1Å; L116-F234 HydrophobicContact CD1-CE2 4.28Å; L116-L237 HydrophobicContact CD2-CB 4.13Å; L116-L238 HydrophobicContact CD1-CD1 4.33Å; L116-L238 HydrophobicContact CD2-CB 4.12Å; L116-L238 HydrophobicContact CD2-CD1 4.11Å; L116-L238 HydrophobicContact CG-CD1 3.79Å
117	I	77.7	Confident	78.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-52.3	173.2	-73.3	172.7	0	0	0	111.1	G113 A114 K119 S120 T121 Y242 F245 Y246	G113-I117 WeakPolarHBondContact O-CG1 3.2Å; G113-I117 PolarHBondContact O-N 3.01Å; A114-I117 PolarHBondContact O-N 2.87Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.01Å; I117-S120 WeakPolarHBondContact CA-OG 3.42Å; I117-S120 CarbonylContact O-C 3.18Å; I117-S120 WeakPolarHBondContact O-CA 3.42Å; I117-S120 WeakPolarHBondContact O-CB 3.38Å; I117-S120 PolarHBondContact O-N 2.83Å; I117-S120 PolarHBondContact O-OG 2.99Å; I117-T121 WeakPolarHBondContact O-CG2 3.33Å; I117-T121 PolarHBondContact O-N 3.26Å; I117-Y242 HydrophobicContact CB-CE2 4.41Å; I117-Y242 HydrophobicContact CD1-CD2 4.45Å; I117-Y242 HydrophobicContact CG1-CD2 3.83Å; I117-Y242 HydrophobicContact CG1-CE2 3.78Å; I117-Y242 HydrophobicContact CG2-CE2 4.46Å; I117-F245 HydrophobicContact CD1-CB 3.66Å; I117-F245 HydrophobicContact CD1-CD2 3.23Å; I117-F245 HydrophobicContact CD1-CE2 4.1Å; I117-F245 HydrophobicContact CD1-CG 3.72Å; I117-Y246 HydrophobicContact CD1-CD2 4.34Å; I117-Y246 HydrophobicContact CD1-CE2 3.79Å; I117-Y246 HydrophobicContact CG1-CE2 4.32Å; I117-Y246 HydrophobicContact CG2-CE2 3.65Å; I117-Y246 VanDerWaalsContact CG2-OH 3.24Å; I117-Y246 WeakPolarHBondContact CG2-OH 3.2Å
118	V	73.7	Confident	79.2	Confident	29 Å²	29	30 Å²	30	18%	0.176	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-46.2	179.4	176.5	0	0	0	0	111.4	A114 N115 S120 T121 D122 Y388	A114-V118 WeakPolarHBondContact O-CG2 3.32Å; A114-V118 PolarHBondContact O-N 3.23Å; N115-V118 PolarHBondContact O-N 3.05Å; V118-S120 PolarHBondContact O-N 3.41Å; V118-T121 PolarHBondContact O-N 2.71Å; V118-T121 PolarHBondContact O-OG1 2.84Å; V118-D122 PolarHBondContact O-N 2.77Å; V118-Y388 HydrophobicContact CG2-CD1 4.34Å; V118-Y388 HydrophobicContact CG2-CD2 4.35Å; V118-Y388 HydrophobicContact CG2-CG 3.75Å
119	K	79.4	Confident	79.8	Confident	67 Å²	67	31.2 Å²	31.2	29%	0.291	16%	0.163	S	C	.	.	H	α-helix	trans	-64.6	-34.9	178.6	-163.6	173.7	-179.7	-178.4	0	111.1	N115 I117 D122 F123 Q222 I223	N115-K119 VanDerWaalsContact O-CB 3.24Å; N115-K119 WeakPolarHBondContact O-CB 3.48Å; N115-K119 PolarHBondContact O-N 3.2Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.01Å; K119-D122 PolarHBondContact O-N 3.17Å; K119-F123 HydrophobicContact CG-CE1 4.26Å; K119-F123 WeakPolarHBondContact O-CD1 3.32Å; K119-F123 WeakPolarHBondContact O-CE1 3.4Å; K119-Q222 PolarHBondContact NZ-O 3.02Å; K119-I223 HydrophobicContact CD-CD1 4.35Å; K119-I223 HydrophobicContact CD-CG1 3.96Å
120	S	82.4	Confident	80.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.6	-32	176	79.9	0	0	0	0	113.4	L116 I117 V118 D122 F123 Y242 N259	L116-S120 VanDerWaalsContact O-CB 3.22Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 2.68Å; L116-S120 PolarHBondContact O-OG 3.42Å; I117-S120 WeakPolarHBondContact CA-OG 3.42Å; I117-S120 CarbonylContact O-C 3.18Å; I117-S120 WeakPolarHBondContact O-CA 3.42Å; I117-S120 WeakPolarHBondContact O-CB 3.38Å; I117-S120 PolarHBondContact O-N 2.83Å; I117-S120 PolarHBondContact O-OG 2.99Å; V118-S120 PolarHBondContact O-N 3.41Å; S120-D122 PolarHBondContact O-N 2.81Å; S120-F123 VanDerWaalsContact CA-CZ 3.48Å; S120-F123 WeakPolarHBondContact O-CB 3.44Å; S120-F123 WeakPolarHBondContact O-CD2 3.42Å; S120-F123 VanDerWaalsContact O-CG 3.27Å; S120-F123 WeakPolarHBondContact O-CG 3.39Å; S120-F123 PolarHBondContact O-N 3.34Å; S120-F123 VanDerWaalsContact O-N 3.15Å; S120-Y242 WeakPolarHBondContact OG-CE2 3.46Å; S120-Y242 PolarHBondContact OG-OH 2.68Å; S120-N259 WeakPolarHBondContact O-CB 3.49Å; S120-N259 PolarHBondContact O-ND2 3.15Å; S120-N259 PolarHBondContact OG-ND2 3.37Å
121	T	76.5	Confident	80.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-70.7	-13.1	175.4	61.8	0	0	0	0	112.9	I117 V118 N263 V376 L381 Q385	I117-T121 WeakPolarHBondContact O-CG2 3.33Å; I117-T121 PolarHBondContact O-N 3.26Å; V118-T121 PolarHBondContact O-N 2.71Å; V118-T121 PolarHBondContact O-OG1 2.84Å; T121-N263 VanDerWaalsContact O-CG 3.3Å; T121-N263 PolarHBondContact O-ND2 3.08Å; T121-N263 PolarHBondContact O-OD1 3.3Å; T121-N263 VanDerWaalsContact O-OD1 3.09Å; T121-V376 HydrophobicContact CG2-CG1 3.85Å; T121-V376 HydrophobicContact CG2-CG2 4.12Å; T121-L381 HydrophobicContact CG2-CD1 3.99Å; T121-Q385 PolarHBondContact OG1-NE2 3.01Å
122	D	79.4	Confident	81.3	Confident	80 Å²	80	35.4 Å²	35.4	43%	0.428	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	10.6	171.7	-77.8	-31.8	0	0	0	113.5	V118 K119 S120 L124 Y219 N263 Q385	V118-D122 PolarHBondContact O-N 2.77Å; K119-D122 PolarHBondContact O-N 3.17Å; S120-D122 PolarHBondContact O-N 2.81Å; D122-L124 PolarHBondContact O-N 2.84Å; D122-Y219 PolarHBondContact O-OH 2.75Å; D122-N263 VanDerWaalsContact C-ND2 3.31Å; D122-N263 WeakPolarHBondContact CA-ND2 3.39Å; D122-Q385 PolarHBondContact OD1-NE2 3.03Å
123	F	85.7	Confident	81.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.			trans	-67	121	177	-68.8	-10.3	0	0	0	111.2	K119 S120 Y219 I223 F234 M256 V260 N263	K119-F123 HydrophobicContact CG-CE1 4.26Å; K119-F123 WeakPolarHBondContact O-CD1 3.32Å; K119-F123 WeakPolarHBondContact O-CE1 3.4Å; S120-F123 VanDerWaalsContact CA-CZ 3.48Å; S120-F123 WeakPolarHBondContact O-CB 3.44Å; S120-F123 WeakPolarHBondContact O-CD2 3.42Å; S120-F123 VanDerWaalsContact O-CG 3.27Å; S120-F123 WeakPolarHBondContact O-CG 3.39Å; S120-F123 PolarHBondContact O-N 3.34Å; S120-F123 VanDerWaalsContact O-N 3.15Å; F123-Y219 WeakPolarHBondContact CA-OH 3.46Å; F123-Y219 HydrophobicContact CB-CD2 4.33Å; F123-Y219 HydrophobicContact CB-CE2 3.9Å; F123-Y219 AromaticContact CD1-CD1 3.32Å; F123-Y219 HydrophobicContact CD1-CD1 3.32Å; F123-Y219 AromaticContact CD1-CD2 3.84Å; F123-Y219 HydrophobicContact CD1-CD2 3.84Å; F123-Y219 AromaticContact CD1-CE1 3.32Å; F123-Y219 HydrophobicContact CD1-CE1 3.32Å; F123-Y219 AromaticContact CD1-CE2 3.85Å; F123-Y219 HydrophobicContact CD1-CE2 3.85Å; F123-Y219 AromaticContact CD1-CG 3.58Å; F123-Y219 HydrophobicContact CD1-CG 3.58Å; F123-Y219 AromaticContact CD1-CZ 3.6Å; F123-Y219 HydrophobicContact CD2-CD2 4.49Å; F123-Y219 AromaticContact CE1-CD1 3.26Å; F123-Y219 HydrophobicContact CE1-CD1 3.26Å; F123-Y219 HydrophobicContact CE1-CD2 4.24Å; F123-Y219 AromaticContact CE1-CE1 3.74Å; F123-Y219 HydrophobicContact CE1-CE1 3.74Å; F123-Y219 AromaticContact CE1-CG 3.54Å; F123-Y219 HydrophobicContact CE1-CG 3.54Å; F123-Y219 HydrophobicContact CG-CD1 4.27Å; F123-Y219 AromaticContact CG-CD2 3.97Å; F123-Y219 HydrophobicContact CG-CD2 3.97Å; F123-Y219 HydrophobicContact CG-CE1 4.25Å; F123-Y219 AromaticContact CG-CE2 3.96Å; F123-Y219 HydrophobicContact CG-CE2 3.96Å; F123-Y219 HydrophobicContact CG-CG 4.12Å; F123-Y219 HydrophobicContact CZ-CD1 4.18Å; F123-Y219 HydrophobicContact CZ-CG 4.07Å; F123-I223 HydrophobicContact CE1-CD1 4.27Å; F123-I223 HydrophobicContact CZ-CD1 3.85Å; F123-F234 HydrophobicContact CE2-CE2 4.28Å; F123-F234 AromaticContact CE2-CZ 3.82Å; F123-F234 HydrophobicContact CE2-CZ 3.82Å; F123-F234 HydrophobicContact CZ-CE2 4.18Å; F123-F234 HydrophobicContact CZ-CZ 4.13Å; F123-M256 HydrophobicContact CD2-CE 4.32Å; F123-M256 HydrophobicContact CD2-CG 4.05Å; F123-M256 HydrophobicContact CD2-SD 4.4Å; F123-V260 HydrophobicContact CB-CG2 3.96Å; F123-V260 VanDerWaalsContact O-CA 3.27Å; F123-V260 WeakPolarHBondContact O-CA 3.22Å; F123-N263 PolarHBondContact N-ND2 3.12Å; F123-N263 PolarHBondContact O-ND2 2.96Å
124	L	85	Confident	82.2	Confident	65 Å²	65	33.6 Å²	33.6	34%	0.34	17%	0.172	S	C	.	.			trans	-114.6	150.9	174.9	-76.4	156.2	0	0	0	108.4	D122 R126 T215 Y219 N263	D122-L124 PolarHBondContact O-N 2.84Å; L124-R126 PolarHBondContact O-N 3.47Å; L124-T215 WeakPolarHBondContact O-CG2 3.45Å; L124-Y219 PolarHBondContact N-OH 3.47Å; L124-Y219 WeakPolarHBondContact O-CE2 3.32Å; L124-Y219 PolarHBondContact O-OH 2.87Å; L124-N263 HydrophobicContact CD2-CB 3.69Å; L124-N263 HydrophobicContact CG-CB 4.18Å
125	S	85.5	Confident	82.8	Confident	7 Å²	7	35.7 Å²	35.7	5%	0.049	18%	0.18	C	C	.	.			trans	-61.7	137	171.8	-178	0	0	0	0	109.2	N127 I131 D208 T215	S125-N127 PolarHBondContact OG-N 2.9Å; S125-I131 WeakPolarHBondContact O-CD1 3.48Å; S125-I131 VanDerWaalsContact O-CG1 3.3Å; S125-I131 WeakPolarHBondContact O-CG1 2.98Å; S125-D208 PolarHBondContact OG-OD2 2.92Å; S125-T215 WeakPolarHBondContact CA-OG1 3.38Å
126	R	86.6	Confident	83.3	Confident	113 Å²	113	35.1 Å²	35.1	43%	0.426	18%	0.178	S	C	.	.			trans	-94.5	0.3	174.3	-67.5	-68.8	177.3	172.2	-4.4	112.4	L124 P128 T215 Y218	L124-R126 PolarHBondContact O-N 3.47Å; R126-P128 WeakPolarHBondContact O-CD 3.23Å; R126-T215 HydrophobicContact CG-CG2 4.38Å; R126-T215 PolarHBondContact N-OG1 3.3Å; R126-Y218 HydrophobicContact CG-CD1 3.84Å; R126-Y218 HydrophobicContact CG-CD2 4.36Å; R126-Y218 HydrophobicContact CG-CE1 4.46Å; R126-Y218 HydrophobicContact CG-CG 3.81Å; R126-Y218 PolarHBondContact NH2-OH 2.89Å
127	N	85.1	Confident	83.7	Confident	10 Å²	10	35 Å²	35	5%	0.053	18%	0.177	C	C	.	.			trans	-90.3	112.7	174.7	-173.5	-8.3	0	0	0	109.6	S125 E129 I130 I131 K204	S125-N127 PolarHBondContact OG-N 2.9Å; N127-E129 PolarHBondContact O-N 3.41Å; N127-E129 PolarHBondContact OD1-N 2.84Å; N127-I130 HydrophobicContact CB-CB 4.17Å; N127-I130 HydrophobicContact CB-CD1 3.75Å; N127-I130 HydrophobicContact CB-CG1 3.84Å; N127-I130 WeakPolarHBondContact O-CB 3.43Å; N127-I130 PolarHBondContact O-N 3.21Å; N127-I131 WeakPolarHBondContact O-CG1 3.36Å; N127-I131 PolarHBondContact O-N 3.37Å; N127-K204 WeakPolarHBondContact ND2-CE 3.48Å
128	P	83.4	Confident	84.2	Confident	79 Å²	79	35 Å²	35	51%	0.513	18%	0.177	S	C	.	.	H	α-helix	trans	-60.8	-31.1	-176.3	25.2	-34.9	0	0	0	112.9	R126 I130 I131 N132	R126-P128 WeakPolarHBondContact O-CD 3.23Å; P128-I130 VanDerWaalsContact C-N 3.32Å; P128-I130 PolarHBondContact O-N 3.24Å; P128-I131 PolarHBondContact O-N 3.42Å; P128-N132 WeakPolarHBondContact O-CB 3.43Å; P128-N132 PolarHBondContact O-N 2.93Å; P128-N132 PolarHBondContact O-ND2 3.44Å
129	E	84.9	Confident	84.7	Confident	60 Å²	60	35.4 Å²	35.4	28%	0.28	18%	0.177	S	C	.	.	H	α-helix	trans	-66.3	-35.4	176.3	-61.9	179.5	-151.5	0	0	111.8	N127 L133 Y182 S183 F184	N127-E129 PolarHBondContact O-N 3.41Å; N127-E129 PolarHBondContact OD1-N 2.84Å; E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.13Å; E129-L133 PolarHBondContact O-N 3.27Å; E129-Y182 HydrophobicContact CB-CD1 3.85Å; E129-Y182 HydrophobicContact CB-CE1 4.4Å; E129-Y182 HydrophobicContact CG-CD1 4.18Å; E129-S183 PolarHBondContact OE1-OG 3.03Å; E129-S183 WeakPolarHBondContact OE2-CB 3.18Å; E129-S183 PolarHBondContact OE2-N 3.28Å; E129-S183 PolarHBondContact OE2-OG 2.67Å; E129-F184 HydrophobicContact CB-CD1 4.46Å; E129-F184 HydrophobicContact CB-CE1 3.75Å; E129-F184 WeakPolarHBondContact OE2-CD1 3.36Å
130	I	85.7	Confident	85	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-47.4	175.2	-61.9	178.1	0	0	0	109.5	N127 P128 N132 F134 L201 K204 L205 D208	N127-I130 HydrophobicContact CB-CB 4.17Å; N127-I130 HydrophobicContact CB-CD1 3.75Å; N127-I130 HydrophobicContact CB-CG1 3.84Å; N127-I130 WeakPolarHBondContact O-CB 3.43Å; N127-I130 PolarHBondContact O-N 3.21Å; P128-I130 VanDerWaalsContact C-N 3.32Å; P128-I130 PolarHBondContact O-N 3.24Å; I130-N132 PolarHBondContact O-N 2.95Å; I130-F134 WeakPolarHBondContact O-CA 3.13Å; I130-F134 WeakPolarHBondContact O-CB 3.27Å; I130-F134 PolarHBondContact O-N 3.5Å; I130-L201 HydrophobicContact CG2-CD1 4Å; I130-K204 HydrophobicContact CD1-CB 4.45Å; I130-K204 HydrophobicContact CD1-CG 3.77Å; I130-K204 HydrophobicContact CG1-CG 3.87Å; I130-L205 HydrophobicContact CG2-CD1 4.23Å; I130-D208 HydrophobicContact CD1-CB 3.71Å
131	I	85.6	Confident	85.3	Confident	52 Å²	52	35.1 Å²	35.1	27%	0.267	18%	0.178	S	C	.	.	H	α-helix	trans	-57	-52.7	-177.5	-60.8	169.2	0	0	0	110.6	S125 N127 P128 F134 Q135	S125-I131 WeakPolarHBondContact O-CD1 3.48Å; S125-I131 VanDerWaalsContact O-CG1 3.3Å; S125-I131 WeakPolarHBondContact O-CG1 2.98Å; N127-I131 WeakPolarHBondContact O-CG1 3.36Å; N127-I131 PolarHBondContact O-N 3.37Å; P128-I131 PolarHBondContact O-N 3.42Å; I131-F134 PolarHBondContact O-N 2.88Å; I131-Q135 WeakPolarHBondContact O-CG 3.27Å; I131-Q135 PolarHBondContact O-N 3.47Å
132	N	84.8	Confident	85.8	Confident	82 Å²	82	35.1 Å²	35.1	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-63.7	-51.6	-177.2	-69.5	-18	0	0	0	111.5	P128 I130 F134 Q135 D136 Y182	P128-N132 WeakPolarHBondContact O-CB 3.43Å; P128-N132 PolarHBondContact O-N 2.93Å; P128-N132 PolarHBondContact O-ND2 3.44Å; I130-N132 PolarHBondContact O-N 2.95Å; N132-F134 VanDerWaalsContact C-N 3.29Å; N132-F134 PolarHBondContact O-N 3.42Å; N132-Q135 PolarHBondContact O-N 2.89Å; N132-D136 PolarHBondContact O-N 3.13Å; N132-D136 VanDerWaalsContact O-N 3.12Å; N132-Y182 HydrophobicContact CB-CE1 4.28Å
133	L	87.9	Confident	86	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-36.4	-180	-177.6	65.7	0	0	0	111.8	E129 D136 Y137 V177 Y182 F184 L185 L201	E129-L133 VanDerWaalsContact O-CB 3.31Å; E129-L133 WeakPolarHBondContact O-CB 3.13Å; E129-L133 PolarHBondContact O-N 3.27Å; L133-D136 PolarHBondContact O-N 3.17Å; L133-Y137 WeakPolarHBondContact O-CB 3.09Å; L133-Y137 PolarHBondContact O-N 3.38Å; L133-V177 HydrophobicContact CD1-CB 4.25Å; L133-V177 HydrophobicContact CD1-CG2 3.81Å; L133-Y182 HydrophobicContact CB-CD2 4.38Å; L133-Y182 HydrophobicContact CB-CE1 4.2Å; L133-Y182 HydrophobicContact CB-CE2 3.93Å; L133-Y182 HydrophobicContact CD1-CD2 4.05Å; L133-Y182 HydrophobicContact CD1-CE2 3.64Å; L133-Y182 HydrophobicContact CD2-CD2 4.44Å; L133-Y182 HydrophobicContact CG-CE2 4.26Å; L133-Y182 PolarHBondContact N-OH 2.84Å; L133-F184 HydrophobicContact CB-CZ 4.42Å; L133-F184 HydrophobicContact CD2-CE2 3.43Å; L133-F184 VanDerWaalsContact CD2-CE2 3.43Å; L133-F184 HydrophobicContact CD2-CZ 3.42Å; L133-F184 VanDerWaalsContact CD2-CZ 3.42Å; L133-L185 HydrophobicContact CD1-CD1 4.17Å; L133-L185 HydrophobicContact CD2-CD1 3.62Å; L133-L185 HydrophobicContact CD2-CG 4.31Å; L133-L201 HydrophobicContact CD2-CB 4.26Å; L133-L201 HydrophobicContact CD2-CD1 4.27Å
134	F	88.9	Confident	85.9	Confident	3 Å²	3	31.8 Å²	31.8	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-41	179.9	-161	-73.3	0	0	0	110.9	I130 I131 N132 D136 Y137 V138 I167 F168 L201 L205 T261 A264 L265	I130-F134 WeakPolarHBondContact O-CA 3.13Å; I130-F134 WeakPolarHBondContact O-CB 3.27Å; I130-F134 PolarHBondContact O-N 3.5Å; I131-F134 PolarHBondContact O-N 2.88Å; N132-F134 VanDerWaalsContact C-N 3.29Å; N132-F134 PolarHBondContact O-N 3.42Å; F134-D136 PolarHBondContact O-N 3.43Å; F134-Y137 PolarHBondContact O-N 3.05Å; F134-V138 HydrophobicContact CD1-CG2 3.46Å; F134-V138 VanDerWaalsContact CD1-CG2 3.46Å; F134-V138 HydrophobicContact CE1-CG2 3.29Å; F134-V138 HydrophobicContact CZ-CG2 4.35Å; F134-V138 VanDerWaalsContact O-CG2 3.27Å; F134-V138 WeakPolarHBondContact O-CG2 3.49Å; F134-V138 PolarHBondContact O-N 2.85Å; F134-I167 HydrophobicContact CE2-CD1 4.04Å; F134-I167 HydrophobicContact CZ-CD1 3.65Å; F134-F168 HydrophobicContact CE2-CZ 4.23Å; F134-L201 HydrophobicContact CB-CD1 4.38Å; F134-L201 HydrophobicContact CB-CD2 4.27Å; F134-L201 HydrophobicContact CD2-CD1 4.14Å; F134-L201 HydrophobicContact CD2-CD2 3.7Å; F134-L201 HydrophobicContact CD2-CG 4.1Å; F134-L201 HydrophobicContact CE2-CD2 4.4Å; F134-L201 HydrophobicContact CG-CD2 4.24Å; F134-L205 HydrophobicContact CD2-CD2 4.39Å; F134-L205 HydrophobicContact CE2-CD2 3.94Å; F134-T261 HydrophobicContact CE2-CG2 4.45Å; F134-T261 HydrophobicContact CZ-CG2 3.93Å; F134-A264 HydrophobicContact CD1-CB 3.26Å; F134-A264 HydrophobicContact CD2-CB 4.31Å; F134-A264 HydrophobicContact CE1-CB 3.31Å; F134-A264 HydrophobicContact CE2-CB 4.37Å; F134-A264 HydrophobicContact CG-CB 3.8Å; F134-A264 HydrophobicContact CZ-CB 3.9Å; F134-L265 HydrophobicContact CE1-CD2 4.21Å; F134-L265 HydrophobicContact CE1-CG 4.1Å; F134-L265 HydrophobicContact CZ-CG 4.28Å
135	Q	85.3	Confident	85.9	Confident	47 Å²	47	28.7 Å²	28.7	22%	0.22	15%	0.145	C	C	.	.	H	α-helix	trans	-58.7	-48.4	173.2	-73.1	179.4	3.7	0	0	111.2	I131 N132 Y137 V138 Q139 E267	I131-Q135 WeakPolarHBondContact O-CG 3.27Å; I131-Q135 PolarHBondContact O-N 3.47Å; N132-Q135 PolarHBondContact O-N 2.89Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.49Å; Q135-V138 PolarHBondContact O-N 2.98Å; Q135-Q139 WeakPolarHBondContact O-CG 3.43Å; Q135-Q139 PolarHBondContact O-N 3.04Å; Q135-E267 PolarHBondContact NE2-OE1 3.21Å
136	D	86	Confident	85.8	Confident	36 Å²	36	28.9 Å²	28.9	19%	0.193	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-38.1	176.6	-70.7	-32.5	0	0	0	112.2	N132 L133 F134 N140 V177 P178	N132-D136 PolarHBondContact O-N 3.13Å; N132-D136 VanDerWaalsContact O-N 3.12Å; L133-D136 PolarHBondContact O-N 3.17Å; F134-D136 PolarHBondContact O-N 3.43Å; D136-N140 VanDerWaalsContact O-CB 3.32Å; D136-N140 WeakPolarHBondContact O-CB 3.46Å; D136-N140 PolarHBondContact O-N 3.19Å; D136-N140 PolarHBondContact O-ND2 3.31Å; D136-V177 HydrophobicContact CB-CG1 4.43Å; D136-P178 HydrophobicContact CB-CG 4.27Å; D136-P178 WeakPolarHBondContact OD2-CG 3.08Å
137	Y	89.1	Confident	85.6	Confident	2 Å²	2	30 Å²	30	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-41.7	176.4	-175.8	-93.6	0	0	0	111.5	L133 F134 Q135 C141 V142 I167 F168 C194 A197 L201	L133-Y137 WeakPolarHBondContact O-CB 3.09Å; L133-Y137 PolarHBondContact O-N 3.38Å; F134-Y137 PolarHBondContact O-N 3.05Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.49Å; Y137-C141 HydrophobicContact CD1-CB 4.4Å; Y137-C141 HydrophobicContact CD2-CB 3.86Å; Y137-C141 WeakPolarHBondContact CD2-SG 3.27Å; Y137-C141 HydrophobicContact CE1-CB 4.35Å; Y137-C141 HydrophobicContact CE2-CB 3.81Å; Y137-C141 HydrophobicContact CG-CB 4.15Å; Y137-C141 CarbonylContact O-C 3.24Å; Y137-C141 VanDerWaalsContact O-CA 3.25Å; Y137-C141 WeakPolarHBondContact O-CA 3.48Å; Y137-C141 WeakPolarHBondContact O-CB 3.32Å; Y137-C141 PolarHBondContact O-N 3.46Å; Y137-V142 HydrophobicContact CD1-CG2 3.91Å; Y137-V142 HydrophobicContact CE1-CG2 3.77Å; Y137-V142 PolarHBondContact O-N 2.93Å; Y137-I167 PolarHBondContact OH-O 2.79Å; Y137-F168 HydrophobicContact CD1-CE1 4.46Å; Y137-F168 HydrophobicContact CE1-CD1 4.19Å; Y137-F168 AromaticContact CE1-CE1 3.82Å; Y137-F168 HydrophobicContact CE1-CE1 3.82Å; Y137-F168 AromaticContact CZ-CE1 3.9Å; Y137-C194 HydrophobicContact CE2-CB 4.33Å; Y137-A197 HydrophobicContact CD2-CB 4.49Å; Y137-L201 HydrophobicContact CD1-CD2 4.2Å; Y137-L201 HydrophobicContact CD2-CD2 4.38Å; Y137-L201 HydrophobicContact CG-CD2 3.93Å
138	V	87.3	Confident	85.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-65.4	-45.4	177	173.8	0	0	0	0	110.5	F134 Q135 V142 L143 L265 I269	F134-V138 HydrophobicContact CD1-CG2 3.46Å; F134-V138 VanDerWaalsContact CD1-CG2 3.46Å; F134-V138 HydrophobicContact CE1-CG2 3.29Å; F134-V138 HydrophobicContact CZ-CG2 4.35Å; F134-V138 VanDerWaalsContact O-CG2 3.27Å; F134-V138 WeakPolarHBondContact O-CG2 3.49Å; F134-V138 PolarHBondContact O-N 2.85Å; Q135-V138 PolarHBondContact O-N 2.98Å; V138-V142 HydrophobicContact CG1-CB 4.36Å; V138-V142 HydrophobicContact CG2-CG2 4.33Å; V138-V142 WeakPolarHBondContact O-CB 3.31Å; V138-V142 PolarHBondContact O-N 3.17Å; V138-L143 HydrophobicContact CG1-CG 4.46Å; V138-L143 WeakPolarHBondContact O-CG 3.47Å; V138-L143 PolarHBondContact O-N 3.02Å; V138-L265 HydrophobicContact CG1-CD2 4.28Å; V138-L265 HydrophobicContact CG2-CD2 3.66Å; V138-I269 HydrophobicContact CG1-CG1 4.2Å
139	Q	83.5	Confident	85	Confident	38 Å²	38	35.4 Å²	35.4	18%	0.178	17%	0.174	C	C	.	.	I	π-helix	trans	-64.8	-52.6	-180	-71.4	-179.6	5	0	0	112.2	Q135 S271 N272	Q135-Q139 WeakPolarHBondContact O-CG 3.43Å; Q135-Q139 PolarHBondContact O-N 3.04Å; Q139-S271 PolarHBondContact NE2-OG 2.89Å; Q139-N272 HydrophobicContact CG-CB 4.45Å
140	N	86.4	Confident	84.8	Confident	61 Å²	61	39.4 Å²	39.4	33%	0.326	19%	0.193	S	C	.	.	I	π-helix	trans	-85.1	-36.9	-171.8	-65.4	-58.7	0	0	0	112.8	D136 R175 V177	D136-N140 VanDerWaalsContact O-CB 3.32Å; D136-N140 WeakPolarHBondContact O-CB 3.46Å; D136-N140 PolarHBondContact O-N 3.19Å; D136-N140 PolarHBondContact O-ND2 3.31Å; N140-R175 VanDerWaalsContact O-CD 3.3Å; N140-R175 WeakPolarHBondContact O-CD 3.2Å; N140-R175 PolarHBondContact O-NH1 3.1Å; N140-V177 HydrophobicContact CB-CG1 4.17Å
141	C	88.8	Confident	84.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-99	-54.1	-172.8	-43.1	0	0	0	0	112.3	Y137 D145 V177 C194	Y137-C141 HydrophobicContact CD1-CB 4.4Å; Y137-C141 HydrophobicContact CD2-CB 3.86Å; Y137-C141 WeakPolarHBondContact CD2-SG 3.27Å; Y137-C141 HydrophobicContact CE1-CB 4.35Å; Y137-C141 HydrophobicContact CE2-CB 3.81Å; Y137-C141 HydrophobicContact CG-CB 4.15Å; Y137-C141 CarbonylContact O-C 3.24Å; Y137-C141 VanDerWaalsContact O-CA 3.25Å; Y137-C141 WeakPolarHBondContact O-CA 3.48Å; Y137-C141 WeakPolarHBondContact O-CB 3.32Å; Y137-C141 PolarHBondContact O-N 3.46Å; C141-D145 VanDerWaalsContact O-CB 3.23Å; C141-D145 WeakPolarHBondContact O-CB 3.37Å; C141-D145 PolarHBondContact O-N 3.35Å; C141-V177 VanDerWaalsContact SG-CG1 3.5Å; C141-C194 HydrophobicContact CB-CB 3.65Å; C141-C194 WeakPolarHBondContact CB-SG 3.3Å; C141-C194 WeakPolarHBondContact SG-CB 3.25Å; C141-C194 CovalentContact SG-SG 2.02Å; C141-C194 PolarHBondContact SG-SG 3.35Å
142	V	86.9	Confident	84.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-71.6	-57.4	-173.8	175.8	0	0	0	0	111.6	Y137 V138 G144 D145 I146 Y152 L157 I167 L265	Y137-V142 HydrophobicContact CD1-CG2 3.91Å; Y137-V142 HydrophobicContact CE1-CG2 3.77Å; Y137-V142 PolarHBondContact O-N 2.93Å; V138-V142 HydrophobicContact CG1-CB 4.36Å; V138-V142 HydrophobicContact CG2-CG2 4.33Å; V138-V142 WeakPolarHBondContact O-CB 3.31Å; V138-V142 PolarHBondContact O-N 3.17Å; V142-G144 PolarHBondContact O-N 3.33Å; V142-D145 PolarHBondContact O-N 2.67Å; V142-I146 HydrophobicContact CG1-CD1 4.05Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; V142-I146 PolarHBondContact O-N 3.4Å; V142-Y152 HydrophobicContact CG1-CE2 4.15Å; V142-Y152 WeakPolarHBondContact CG1-OH 3.27Å; V142-L157 HydrophobicContact CG1-CD2 3.89Å; V142-I167 HydrophobicContact CG1-CG2 4.27Å; V142-I167 HydrophobicContact CG2-CB 4.1Å; V142-I167 HydrophobicContact CG2-CG2 3.99Å; V142-L265 HydrophobicContact CG1-CD2 4.11Å; V142-L265 HydrophobicContact CG2-CD2 4.37Å
143	L	84.3	Confident	84.4	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-35.4	176.6	-66.9	-179.3	0	0	0	110.9	V138 D145 I146 Y147 I269 N272	V138-L143 HydrophobicContact CG1-CG 4.46Å; V138-L143 WeakPolarHBondContact O-CG 3.47Å; V138-L143 PolarHBondContact O-N 3.02Å; L143-D145 PolarHBondContact O-N 3.12Å; L143-I146 HydrophobicContact CD2-CD1 4.41Å; L143-I146 PolarHBondContact O-N 2.99Å; L143-Y147 HydrophobicContact CB-CD2 4.14Å; L143-Y147 HydrophobicContact CB-CE2 4.19Å; L143-Y147 HydrophobicContact CD2-CE2 3.98Å; L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 WeakPolarHBondContact O-CD2 2.96Å; L143-Y147 PolarHBondContact O-N 3.05Å; L143-I269 HydrophobicContact CD2-CG1 4.16Å; L143-N272 HydrophobicContact CD1-CB 3.54Å; L143-N272 VanDerWaalsContact CD1-CG 3.49Å; L143-N272 VanDerWaalsContact CD1-ND2 3.27Å; L143-N272 WeakPolarHBondContact CD1-ND2 3.48Å
144	G	83.2	Confident	84	Confident	4 Å²	4	43.3 Å²	43.3	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-55.6	-46.5	169.8	0	0	0	0	0	114.8	V142 I146 L148 N149 R175	V142-G144 PolarHBondContact O-N 3.33Å; G144-I146 VanDerWaalsContact C-N 3.35Å; G144-L148 WeakPolarHBondContact O-CB 3.4Å; G144-L148 PolarHBondContact O-N 3.05Å; G144-L148 VanDerWaalsContact O-N 3.13Å; G144-N149 PolarHBondContact O-N 3.09Å; G144-R175 VanDerWaalsContact C-CZ 3.48Å; G144-R175 PolarHBondContact O-NH2 2.82Å; G144-R175 VanDerWaalsContact O-NH2 3.13Å
145	D	84.9	Confident	83.5	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-73.4	-28.1	-179.8	-78.5	-6.6	0	0	0	112.5	C141 V142 L143 N149 H150 K151 Y152 S172	C141-D145 VanDerWaalsContact O-CB 3.23Å; C141-D145 WeakPolarHBondContact O-CB 3.37Å; C141-D145 PolarHBondContact O-N 3.35Å; V142-D145 PolarHBondContact O-N 2.67Å; L143-D145 PolarHBondContact O-N 3.12Å; D145-N149 CarbonylContact O-C 3.54Å; D145-N149 PolarHBondContact OD1-ND2 3.31Å; D145-H150 WeakPolarHBondContact O-CA 3.19Å; D145-H150 PolarHBondContact O-N 3.32Å; D145-K151 HydrophobicContact CB-CB 4.5Å; D145-K151 HydrophobicContact CB-CD 4.2Å; D145-K151 HydrophobicContact CB-CG 4.49Å; D145-K151 PolarHBondContact O-N 2.65Å; D145-K151 IonicContact OD1-NZ 3.82Å; D145-K151 PolarHBondContact OD1-NZ 2.74Å; D145-K151 IonicContact OD2-NZ 3.49Å; D145-K151 PolarHBondContact OD2-NZ 3.17Å; D145-Y152 HydrophobicContact CB-CE1 4.17Å; D145-S172 WeakPolarHBondContact OD1-CB 3.48Å; D145-S172 PolarHBondContact OD1-OG 3.01Å
146	I	83.5	Confident	83.3	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.051	25%	0.249	C	C	.	.	H	α-helix	trans	-72.6	-55	173.7	-66.4	166.8	0	0	0	111.2	V142 L143 G144 H150 Y152 L154 L157	V142-I146 HydrophobicContact CG1-CD1 4.05Å; V142-I146 WeakPolarHBondContact O-CG1 3.38Å; V142-I146 PolarHBondContact O-N 3.4Å; L143-I146 HydrophobicContact CD2-CD1 4.41Å; L143-I146 PolarHBondContact O-N 2.99Å; G144-I146 VanDerWaalsContact C-N 3.35Å; I146-H150 PolarHBondContact O-ND1 2.75Å; I146-Y152 HydrophobicContact CD1-CD2 4.26Å; I146-Y152 HydrophobicContact CD1-CE2 3.84Å; I146-Y152 HydrophobicContact CG1-CD2 3.7Å; I146-Y152 HydrophobicContact CG1-CE2 3.48Å; I146-Y152 VanDerWaalsContact CG1-CE2 3.48Å; I146-L154 HydrophobicContact CD1-CD1 4.13Å; I146-L154 HydrophobicContact CG2-CB 4.19Å; I146-L157 HydrophobicContact CD1-CD2 4.09Å
147	Y	82.1	Confident	83	Confident	138 Å²	138	49 Å²	49	54%	0.541	24%	0.24	S	C	.	.	H	α-helix	trans	-81.9	-31.5	-168.6	-70.5	-58.8	0	0	0	114.5	L143 H150	L143-Y147 HydrophobicContact CB-CD2 4.14Å; L143-Y147 HydrophobicContact CB-CE2 4.19Å; L143-Y147 HydrophobicContact CD2-CE2 3.98Å; L143-Y147 WeakPolarHBondContact O-CB 3.32Å; L143-Y147 WeakPolarHBondContact O-CD2 2.96Å; L143-Y147 PolarHBondContact O-N 3.05Å; Y147-H150 PolarHBondContact O-CE1 2.83Å; Y147-H150 VanDerWaalsContact O-CE1 3.24Å
148	L	79.7	Confident	82.3	Confident	124 Å²	124	51.8 Å²	51.8	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-41	-172.2	-78.6	154.6	0	0	0	112.8	G144 R175	G144-L148 WeakPolarHBondContact O-CB 3.4Å; G144-L148 PolarHBondContact O-N 3.05Å; G144-L148 VanDerWaalsContact O-N 3.13Å; L148-R175 VanDerWaalsContact CB-NH2 3.27Å
149	N	77.1	Confident	81.7	Confident	77 Å²	77	54.4 Å²	54.4	41%	0.412	28%	0.275	S	S	.	.	S	Bend	trans	-94.1	-13.8	-178.4	-62.8	-43.2	0	0	0	113.5	G144 D145 K151 S172	G144-N149 PolarHBondContact O-N 3.09Å; D145-N149 CarbonylContact O-C 3.54Å; D145-N149 PolarHBondContact OD1-ND2 3.31Å; N149-K151 HydrophobicContact CB-CG 3.96Å; N149-K151 PolarHBondContact O-N 2.78Å; N149-K151 VanDerWaalsContact O-N 3.15Å; N149-S172 PolarHBondContact ND2-OG 3.02Å
150	H	80.2	Confident	81.5	Confident	145 Å²	145	53.6 Å²	53.6	67%	0.671	27%	0.274	S	S	*	.			trans	47.9	38	-176.9	-56.7	-51.8	0	0	0	114.4	D145 I146 Y147 Y152	D145-H150 WeakPolarHBondContact O-CA 3.19Å; D145-H150 PolarHBondContact O-N 3.32Å; I146-H150 PolarHBondContact O-ND1 2.75Å; Y147-H150 PolarHBondContact O-CE1 2.83Å; Y147-H150 VanDerWaalsContact O-CE1 3.24Å; H150-Y152 VanDerWaalsContact C-N 3.31Å; H150-Y152 PolarHBondContact O-N 3.44Å
151	K	82.2	Confident	80.8	Confident	70 Å²	70	54.2 Å²	54.2	30%	0.304	28%	0.283	S	S	.	.	S	Bend	trans	-69.4	-32.9	-179	-66	-173.7	-169.4	159.6	0	112.7	D145 N149 Q170 S172	D145-K151 HydrophobicContact CB-CB 4.5Å; D145-K151 HydrophobicContact CB-CD 4.2Å; D145-K151 HydrophobicContact CB-CG 4.49Å; D145-K151 PolarHBondContact O-N 2.65Å; D145-K151 IonicContact OD1-NZ 3.82Å; D145-K151 PolarHBondContact OD1-NZ 2.74Å; D145-K151 IonicContact OD2-NZ 3.49Å; D145-K151 PolarHBondContact OD2-NZ 3.17Å; N149-K151 HydrophobicContact CB-CG 3.96Å; N149-K151 PolarHBondContact O-N 2.78Å; N149-K151 VanDerWaalsContact O-N 3.15Å; K151-Q170 HydrophobicContact CD-CB 4.4Å; K151-Q170 WeakPolarHBondContact CD-O 3.23Å; K151-Q170 PolarHBondContact NZ-O 2.91Å; K151-S172 PolarHBondContact NZ-OG 2.65Å
152	Y	83.9	Confident	80.4	Confident	24 Å²	24	56.6 Å²	56.6	9%	0.094	30%	0.296	C	S	.	.	S	Bend	trans	-152.8	154.8	172.7	47.7	-88.7	0	0	0	107.4	V142 D145 I146 H150 L157 I166	V142-Y152 HydrophobicContact CG1-CE2 4.15Å; V142-Y152 WeakPolarHBondContact CG1-OH 3.27Å; D145-Y152 HydrophobicContact CB-CE1 4.17Å; I146-Y152 HydrophobicContact CD1-CD2 4.26Å; I146-Y152 HydrophobicContact CD1-CE2 3.84Å; I146-Y152 HydrophobicContact CG1-CD2 3.7Å; I146-Y152 HydrophobicContact CG1-CE2 3.48Å; I146-Y152 VanDerWaalsContact CG1-CE2 3.48Å; H150-Y152 VanDerWaalsContact C-N 3.31Å; H150-Y152 PolarHBondContact O-N 3.44Å; Y152-L157 HydrophobicContact CD2-CB 4.48Å; Y152-L157 HydrophobicContact CE2-CD2 4.49Å; Y152-I166 HydrophobicContact CD1-CG2 4Å; Y152-I166 HydrophobicContact CD2-CG2 4.08Å; Y152-I166 HydrophobicContact CE1-CG2 4.29Å; Y152-I166 HydrophobicContact CE2-CG2 4.34Å; Y152-I166 HydrophobicContact CG-CG2 3.9Å
153	T	81.9	Confident	80.1	Confident	71 Å²	71	56.7 Å²	56.7	44%	0.436	30%	0.296	S	S	.	.			trans	-86	162.3	178.1	67.1	0	0	0	0	111	E155 D156 L157	T153-E155 PolarHBondContact O-N 2.85Å; T153-E155 PolarHBondContact OG1-N 2.79Å; T153-D156 WeakPolarHBondContact CB-OD2 3.27Å; T153-D156 PolarHBondContact N-OD2 3.4Å; T153-D156 PolarHBondContact O-N 2.83Å; T153-D156 PolarHBondContact OG1-N 3.48Å; T153-D156 PolarHBondContact OG1-OD2 3.34Å; T153-L157 PolarHBondContact O-N 3.35Å
154	L	78.8	Confident	80.1	Confident	53 Å²	53	57.1 Å²	57.1	28%	0.277	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-34.7	169.9	-175.2	63.1	0	0	0	110.7	I146 L157 M158 I269	I146-L154 HydrophobicContact CD1-CD1 4.13Å; I146-L154 HydrophobicContact CG2-CB 4.19Å; L154-L157 PolarHBondContact O-N 2.79Å; L154-M158 HydrophobicContact CD1-CG 4.43Å; L154-M158 HydrophobicContact CD2-SD 4.36Å; L154-M158 HydrophobicContact CG-CG 4.3Å; L154-M158 HydrophobicContact CG-SD 3.98Å; L154-M158 WeakPolarHBondContact O-CB 3.45Å; L154-M158 VanDerWaalsContact O-CG 3.25Å; L154-M158 WeakPolarHBondContact O-CG 3.23Å; L154-M158 PolarHBondContact O-N 3.04Å; L154-I269 HydrophobicContact CD1-CD1 4.27Å
155	E	78.4	Confident	80.2	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-45.5	176.5	-174	59.8	-153.4	0	0	111.9	T153 L157 M158 A159	T153-E155 PolarHBondContact O-N 2.85Å; T153-E155 PolarHBondContact OG1-N 2.79Å; E155-L157 VanDerWaalsContact C-N 3.25Å; E155-L157 PolarHBondContact O-N 3.09Å; E155-M158 PolarHBondContact O-N 3.22Å; E155-M158 VanDerWaalsContact O-N 3.1Å; E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 2.77Å
156	D	80.3	Confident	80.2	Confident	84 Å²	84	62.4 Å²	62.4	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-59.7	-39.2	176.8	-61.7	-44.7	0	0	0	111.4	T153 S160	T153-D156 WeakPolarHBondContact CB-OD2 3.27Å; T153-D156 PolarHBondContact N-OD2 3.4Å; T153-D156 PolarHBondContact O-N 2.83Å; T153-D156 PolarHBondContact OG1-N 3.48Å; T153-D156 PolarHBondContact OG1-OD2 3.34Å; D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.99Å; D156-S160 VanDerWaalsContact O-N 3.16Å
157	L	80.9	Confident	80.3	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.8	-37.9	176.6	-173	66.4	0	0	0	111.9	V142 I146 Y152 T153 L154 E155 P163 I166 I167 L265 I269	V142-L157 HydrophobicContact CG1-CD2 3.89Å; I146-L157 HydrophobicContact CD1-CD2 4.09Å; Y152-L157 HydrophobicContact CD2-CB 4.48Å; Y152-L157 HydrophobicContact CE2-CD2 4.49Å; T153-L157 PolarHBondContact O-N 3.35Å; L154-L157 PolarHBondContact O-N 2.79Å; E155-L157 VanDerWaalsContact C-N 3.25Å; E155-L157 PolarHBondContact O-N 3.09Å; L157-P163 HydrophobicContact CD1-CB 3.79Å; L157-I166 HydrophobicContact CD1-CG2 4.48Å; L157-I167 HydrophobicContact CD1-CG2 3.77Å; L157-L265 HydrophobicContact CD1-CD1 3.96Å; L157-L265 HydrophobicContact CD2-CD1 4.43Å; L157-L265 HydrophobicContact CD2-CD2 4.24Å; L157-L265 HydrophobicContact CG-CD1 4.4Å; L157-I269 HydrophobicContact CD2-CD1 4.46Å
158	M	74	Confident	80.6	Confident	60 Å²	60	56.1 Å²	56.1	30%	0.296	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-37.8	-179.3	-76.9	-175.4	69.8	0	0	113	L154 E155 L378 S379	L154-M158 HydrophobicContact CD1-CG 4.43Å; L154-M158 HydrophobicContact CD2-SD 4.36Å; L154-M158 HydrophobicContact CG-CG 4.3Å; L154-M158 HydrophobicContact CG-SD 3.98Å; L154-M158 WeakPolarHBondContact O-CB 3.45Å; L154-M158 VanDerWaalsContact O-CG 3.25Å; L154-M158 WeakPolarHBondContact O-CG 3.23Å; L154-M158 PolarHBondContact O-N 3.04Å; E155-M158 PolarHBondContact O-N 3.22Å; E155-M158 VanDerWaalsContact O-N 3.1Å; M158-L378 HydrophobicContact CG-CD2 4.19Å; M158-L378 PolarHBondContact O-N 3.15Å; M158-S379 PolarHBondContact O-N 3.41Å; M158-S379 VanDerWaalsContact O-N 3.07Å; M158-S379 PolarHBondContact O-OG 3.4Å
159	A	75.6	Confident	80.8	Confident	54 Å²	54	54 Å²	54	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-87.7	-11.5	-179.4	0	0	0	0	0	114	E155	E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 2.77Å
160	S	79	Confident	81.1	Confident	21 Å²	21	56.6 Å²	56.6	15%	0.147	31%	0.308	C	S	.	.			trans	-67.9	134.4	-175.7	179.1	0	0	0	0	113.3	D156 D162 I166 V377	D156-S160 WeakPolarHBondContact O-CB 3.41Å; D156-S160 PolarHBondContact O-N 2.99Å; D156-S160 VanDerWaalsContact O-N 3.16Å; S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 3.04Å; S160-D162 VanDerWaalsContact OG-C 3.25Å; S160-D162 PolarHBondContact OG-N 3.25Å; S160-D162 PolarHBondContact OG-O 2.88Å; S160-I166 WeakPolarHBondContact OG-CD1 3.35Å; S160-V377 WeakPolarHBondContact O-CG1 3.33Å
161	S	71.4	Confident	81.3	Confident	75 Å²	75	50.6 Å²	50.6	52%	0.524	28%	0.282	S	S	.	.	S	Bend	trans	-76.4	-11.7	171.8	62.3	0	0	0	0	113.5	K258	S161-K258 VanDerWaalsContact O-CD 3.27Å; S161-K258 WeakPolarHBondContact O-CD 3.25Å; S161-K258 WeakPolarHBondContact O-CE 3.38Å; S161-K258 PolarHBondContact O-NZ 3.3Å
162	D	79.4	Confident	81.3	Confident	50 Å²	50	47.6 Å²	47.6	27%	0.267	27%	0.269	S	S	.	.			trans	-146.7	76.8	177.3	-175.1	22.2	0	0	0	111.4	S160 Y164 T165	S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 3.04Å; S160-D162 VanDerWaalsContact OG-C 3.25Å; S160-D162 PolarHBondContact OG-N 3.25Å; S160-D162 PolarHBondContact OG-O 2.88Å; D162-Y164 PolarHBondContact O-N 3.5Å; D162-Y164 WeakPolarHBondContact OD1-CB 3.17Å; D162-T165 PolarHBondContact O-N 2.96Å; D162-T165 PolarHBondContact O-OG1 3.42Å; D162-T165 VanDerWaalsContact O-OG1 3.05Å; D162-T165 WeakPolarHBondContact OD2-CB 3.34Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.34Å; D162-T165 PolarHBondContact OD2-OG1 3.43Å
163	P	82.3	Confident	81.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-19.8	180	26.6	-33.9	0	0	0	112.7	L157 T165 I166 I167 T261 I262 L265	L157-P163 HydrophobicContact CD1-CB 3.79Å; P163-T165 VanDerWaalsContact C-N 3.35Å; P163-T165 PolarHBondContact O-N 2.92Å; P163-I166 PolarHBondContact O-N 3.36Å; P163-I167 WeakPolarHBondContact O-CG1 3.18Å; P163-I167 WeakPolarHBondContact O-CG2 3.41Å; P163-I167 PolarHBondContact O-N 2.87Å; P163-I167 VanDerWaalsContact O-N 3.12Å; P163-T261 HydrophobicContact CG-CG2 4.42Å; P163-I262 HydrophobicContact CG-CD1 4.34Å; P163-I262 HydrophobicContact CG-CG1 3.56Å; P163-L265 HydrophobicContact CB-CD1 3.67Å; P163-L265 HydrophobicContact CG-CD1 4.22Å
164	Y	84.3	Confident	81.2	Confident	15 Å²	15	54.9 Å²	54.9	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-41.6	178	175.4	-92	0	0	0	111.8	D162 F168 K202 L205 R257 T261	D162-Y164 PolarHBondContact O-N 3.5Å; D162-Y164 WeakPolarHBondContact OD1-CB 3.17Å; Y164-F168 AromaticContact CD2-CD2 3.93Å; Y164-F168 HydrophobicContact CD2-CD2 3.93Å; Y164-F168 AromaticContact CD2-CE2 3.66Å; Y164-F168 HydrophobicContact CD2-CE2 3.66Å; Y164-F168 AromaticContact CE2-CD2 3.9Å; Y164-F168 HydrophobicContact CE2-CD2 3.9Å; Y164-F168 AromaticContact CE2-CE2 3.61Å; Y164-F168 HydrophobicContact CE2-CE2 3.61Å; Y164-F168 HydrophobicContact CG-CD2 4.3Å; Y164-F168 HydrophobicContact CG-CE2 4.44Å; Y164-F168 WeakPolarHBondContact O-CD2 3.07Å; Y164-K202 HydrophobicContact CE1-CG 4.34Å; Y164-K202 HydrophobicContact CE2-CG 4.43Å; Y164-K202 WeakPolarHBondContact OH-CG 3.45Å; Y164-K202 PolarHBondContact OH-O 3.4Å; Y164-K202 VanDerWaalsContact OH-O 3.05Å; Y164-L205 HydrophobicContact CD2-CD2 3.94Å; Y164-L205 HydrophobicContact CE2-CD2 3.82Å; Y164-L205 HydrophobicContact CE2-CG 4.23Å; Y164-R257 HydrophobicContact CD2-CG 3.84Å; Y164-R257 HydrophobicContact CE2-CG 3.87Å; Y164-R257 HydrophobicContact CG-CG 4.27Å; Y164-T261 WeakPolarHBondContact CD2-OG1 3.34Å
165	T	84.6	Confident	81.5	Confident	77 Å²	77	55 Å²	55	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-73.6	-34.1	177.8	46.4	0	0	0	0	112.5	D162 P163 S169	D162-T165 PolarHBondContact O-N 2.96Å; D162-T165 PolarHBondContact O-OG1 3.42Å; D162-T165 VanDerWaalsContact O-OG1 3.05Å; D162-T165 WeakPolarHBondContact OD2-CB 3.34Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.34Å; D162-T165 PolarHBondContact OD2-OG1 3.43Å; P163-T165 VanDerWaalsContact C-N 3.35Å; P163-T165 PolarHBondContact O-N 2.92Å; T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.41Å; T165-S169 PolarHBondContact O-N 3.28Å; T165-S169 VanDerWaalsContact O-N 3.1Å
166	I	85.3	Confident	81.9	Confident	38 Å²	38	53.9 Å²	53.9	20%	0.195	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-54.5	179.4	-62.5	-177.4	0	0	0	111	Y152 L157 S160 P163 F168 S169	Y152-I166 HydrophobicContact CD1-CG2 4Å; Y152-I166 HydrophobicContact CD2-CG2 4.08Å; Y152-I166 HydrophobicContact CE1-CG2 4.29Å; Y152-I166 HydrophobicContact CE2-CG2 4.34Å; Y152-I166 HydrophobicContact CG-CG2 3.9Å; L157-I166 HydrophobicContact CD1-CG2 4.48Å; S160-I166 WeakPolarHBondContact OG-CD1 3.35Å; P163-I166 PolarHBondContact O-N 3.36Å; I166-F168 PolarHBondContact O-N 3.42Å; I166-S169 PolarHBondContact O-N 3.03Å; I166-S169 PolarHBondContact O-OG 3.33Å
167	I	85.9	Confident	82.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-21.1	-172.9	66.5	176.9	0	0	0	114	F134 Y137 V142 L157 P163 T261 L265	F134-I167 HydrophobicContact CE2-CD1 4.04Å; F134-I167 HydrophobicContact CZ-CD1 3.65Å; Y137-I167 PolarHBondContact OH-O 2.79Å; V142-I167 HydrophobicContact CG1-CG2 4.27Å; V142-I167 HydrophobicContact CG2-CB 4.1Å; V142-I167 HydrophobicContact CG2-CG2 3.99Å; L157-I167 HydrophobicContact CD1-CG2 3.77Å; P163-I167 WeakPolarHBondContact O-CG1 3.18Å; P163-I167 WeakPolarHBondContact O-CG2 3.41Å; P163-I167 PolarHBondContact O-N 2.87Å; P163-I167 VanDerWaalsContact O-N 3.12Å; I167-T261 HydrophobicContact CD1-CG2 3.68Å; I167-L265 HydrophobicContact CG2-CD1 4.28Å; I167-L265 HydrophobicContact CG2-CD2 4.06Å
168	F	87.9	Confident	82.5	Confident	14 Å²	14	51.4 Å²	51.4	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-108	-0.5	-179	-64.1	-51.5	0	0	0	113.6	F134 Y137 Y164 I166 L201 K202 L205	F134-F168 HydrophobicContact CE2-CZ 4.23Å; Y137-F168 HydrophobicContact CD1-CE1 4.46Å; Y137-F168 HydrophobicContact CE1-CD1 4.19Å; Y137-F168 AromaticContact CE1-CE1 3.82Å; Y137-F168 HydrophobicContact CE1-CE1 3.82Å; Y137-F168 AromaticContact CZ-CE1 3.9Å; Y164-F168 AromaticContact CD2-CD2 3.93Å; Y164-F168 HydrophobicContact CD2-CD2 3.93Å; Y164-F168 AromaticContact CD2-CE2 3.66Å; Y164-F168 HydrophobicContact CD2-CE2 3.66Å; Y164-F168 AromaticContact CE2-CD2 3.9Å; Y164-F168 HydrophobicContact CE2-CD2 3.9Å; Y164-F168 AromaticContact CE2-CE2 3.61Å; Y164-F168 HydrophobicContact CE2-CE2 3.61Å; Y164-F168 HydrophobicContact CG-CD2 4.3Å; Y164-F168 HydrophobicContact CG-CE2 4.44Å; Y164-F168 WeakPolarHBondContact O-CD2 3.07Å; I166-F168 PolarHBondContact O-N 3.42Å; F168-L201 HydrophobicContact CE1-CB 4.38Å; F168-L201 HydrophobicContact CE1-CD2 4.12Å; F168-L201 HydrophobicContact CE1-CG 4.3Å; F168-L201 HydrophobicContact CZ-CB 4.48Å; F168-L201 HydrophobicContact CZ-CD2 4.11Å; F168-L201 HydrophobicContact CZ-CG 4.05Å; F168-K202 HydrophobicContact CB-CD 4.23Å; F168-K202 HydrophobicContact CD1-CB 4.41Å; F168-K202 HydrophobicContact CD2-CB 4.16Å; F168-K202 HydrophobicContact CD2-CG 4.11Å; F168-K202 HydrophobicContact CE2-CB 4.31Å; F168-K202 HydrophobicContact CG-CB 4.23Å; F168-K202 HydrophobicContact CG-CD 4.46Å; F168-K202 HydrophobicContact CG-CG 4.37Å; F168-K202 HydrophobicContact CZ-CB 4.48Å; F168-L205 HydrophobicContact CE2-CD2 4.46Å
169	S	83.2	Confident	82.8	Confident	79 Å²	79	49 Å²	49	55%	0.552	28%	0.279	S	S	*	.	H	α-helix	trans	-71	-45.8	-177.5	61.5	0	0	0	0	113	T165 I166	T165-S169 VanDerWaalsContact O-CB 3.26Å; T165-S169 WeakPolarHBondContact O-CB 3.41Å; T165-S169 PolarHBondContact O-N 3.28Å; T165-S169 VanDerWaalsContact O-N 3.1Å; I166-S169 PolarHBondContact O-N 3.03Å; I166-S169 PolarHBondContact O-OG 3.33Å
170	Q	83.2	Confident	83.1	Confident	132 Å²	132	51.3 Å²	51.3	62%	0.617	29%	0.285	S	S	*	.	S	Bend	trans	-140.1	63.4	-175.2	-64.3	-174.8	4	0	0	112	K151	K151-Q170 HydrophobicContact CD-CB 4.4Å; K151-Q170 WeakPolarHBondContact CD-O 3.23Å; K151-Q170 PolarHBondContact NZ-O 2.91Å
171	P	84.5	Confident	83	Confident	20 Å²	20	57 Å²	57	13%	0.13	31%	0.314	C	S	.	.			trans	-63.8	145.5	178.7	29.6	-38.1	0	0	0	112	K195 S198	P171-K195 HydrophobicContact CG-CB 4.29Å; P171-K195 HydrophobicContact CG-CG 4.28Å; P171-S198 WeakPolarHBondContact CG-OG 3.45Å
172	S	82.7	Confident	83.4	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.042	29%	0.291	C	S	.	.			trans	-67.9	129.1	-179.8	-86.8	0	0	0	0	113.5	D145 N149 K151 L174 C194 K195	D145-S172 WeakPolarHBondContact OD1-CB 3.48Å; D145-S172 PolarHBondContact OD1-OG 3.01Å; N149-S172 PolarHBondContact ND2-OG 3.02Å; K151-S172 PolarHBondContact NZ-OG 2.65Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-C194 WeakPolarHBondContact O-CB 3.44Å; S172-K195 PolarHBondContact O-N 3.11Å
173	P	82.2	Confident	83.4	Confident	89 Å²	89	55.5 Å²	55.5	58%	0.578	31%	0.305	S	S	*	.	S	Bend	trans	-76.5	-19.8	177.1	30.2	-34.2	0	0	0	113.3	K195	P173-K195 HydrophobicContact CB-CD 4.49Å
174	L	82.1	Confident	83.5	Confident	159 Å²	159	56.7 Å²	56.7	83%	0.832	31%	0.31	S	S	*	.	S	Bend	trans	-93.2	-31	-175.5	-67.4	173.7	0	0	0	114	S172	S172-L174 VanDerWaalsContact C-N 3.33Å
175	R	84.8	Confident	83.4	Confident	57 Å²	57	56.7 Å²	56.7	22%	0.215	31%	0.311	C	S	.	.			trans	-76.4	145.4	179.3	-70.9	167.6	172.1	-82.5	-9	108.9	N140 G144 L148 S193 C194	N140-R175 VanDerWaalsContact O-CD 3.3Å; N140-R175 WeakPolarHBondContact O-CD 3.2Å; N140-R175 PolarHBondContact O-NH1 3.1Å; G144-R175 VanDerWaalsContact C-CZ 3.48Å; G144-R175 PolarHBondContact O-NH2 2.82Å; G144-R175 VanDerWaalsContact O-NH2 3.13Å; L148-R175 VanDerWaalsContact CB-NH2 3.27Å; R175-S193 CarbonylContact O-C 3.56Å; R175-S193 WeakPolarHBondContact O-CA 3.27Å; R175-C194 VanDerWaalsContact C-SG 3.59Å; R175-C194 HydrophobicContact CB-CB 4.41Å; R175-C194 WeakPolarHBondContact CB-SG 3.19Å; R175-C194 PolarHBondContact O-N 2.97Å; R175-C194 PolarHBondContact O-SG 3.01Å; R175-C194 VanDerWaalsContact O-SG 3.4Å
176	Q	86.5	Confident	83	Confident	99 Å²	99	62.3 Å²	62.3	46%	0.463	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155	-178.8	-58.8	179.3	-9.7	0	0	110.5	F191 V192	Q176-F191 HydrophobicContact CB-CB 3.98Å; Q176-V192 CarbonylContact C-O 3.32Å; Q176-V192 WeakPolarHBondContact CA-O 3.18Å; Q176-V192 WeakPolarHBondContact CB-O 3.23Å
177	V	87.6	Confident	82.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.1	170.8	-70.2	0	0	0	0	108.8	L133 D136 N140 C141 N179 F191 V192 A197	L133-V177 HydrophobicContact CD1-CB 4.25Å; L133-V177 HydrophobicContact CD1-CG2 3.81Å; D136-V177 HydrophobicContact CB-CG1 4.43Å; N140-V177 HydrophobicContact CB-CG1 4.17Å; C141-V177 VanDerWaalsContact SG-CG1 3.5Å; V177-N179 PolarHBondContact O-N 3.45Å; V177-F191 WeakPolarHBondContact O-CA 3.49Å; V177-V192 PolarHBondContact N-O 3.17Å; V177-V192 PolarHBondContact O-N 3.46Å; V177-A197 HydrophobicContact CG2-CB 3.44Å; V177-A197 VanDerWaalsContact CG2-CB 3.44Å
178	P	85.3	Confident	81.9	Confident	31 Å²	31	68 Å²	68	20%	0.201	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.2	175.4	26.5	-34.1	0	0	0	109.9	D136 N180 Y182 F191	D136-P178 HydrophobicContact CB-CG 4.27Å; D136-P178 WeakPolarHBondContact OD2-CG 3.08Å; P178-N180 PolarHBondContact O-N 3.48Å; P178-Y182 WeakPolarHBondContact O-CE2 3.47Å; P178-F191 HydrophobicContact CB-CD1 4.33Å; P178-F191 HydrophobicContact CB-CE1 4.2Å
179	N	81.6	Confident	81.6	Confident	9 Å²	9	73.2 Å²	73.2	5%	0.048	40%	0.399	C	S	.	.			trans	-97.8	88	176	-178.6	20.7	0	0	0	108.9	V177 N181 S187 E189 P190 V192	V177-N179 PolarHBondContact O-N 3.45Å; N179-N181 PolarHBondContact O-N 3.49Å; N179-S187 PolarHBondContact ND2-O 3.22Å; N179-E189 VanDerWaalsContact CB-O 3.28Å; N179-E189 WeakPolarHBondContact CB-O 3.06Å; N179-E189 PolarHBondContact ND2-O 3.08Å; N179-P190 PolarHBondContact N-O 2.97Å; N179-V192 HydrophobicContact CB-CB 4.4Å; N179-V192 HydrophobicContact CB-CG2 3.64Å
180	N	80.9	Confident	81.5	Confident	104 Å²	104	74 Å²	74	56%	0.556	40%	0.402	S	S	*	.			trans	-77.4	39.7	-180	-63.8	-35.4	0	0	0	112.2	P178 Y182	P178-N180 PolarHBondContact O-N 3.48Å; N180-Y182 HydrophobicContact CB-CE1 4.36Å; N180-Y182 HydrophobicContact CB-CE2 4Å; N180-Y182 PolarHBondContact ND2-OH 2.89Å
181	N	76.5	Confident	81.7	Confident	141 Å²	141	72.6 Å²	72.6	75%	0.754	40%	0.395	S	S	*	.			trans	55.9	47	-174	-65	-34.9	0	0	0	113.7	N179	N179-N181 PolarHBondContact O-N 3.49Å
182	Y	81.3	Confident	81.8	Confident	13 Å²	13	72 Å²	72	5%	0.051	39%	0.39	C	S	.	.			trans	-66.9	132.8	178.1	-62.1	-67.6	0	0	0	111.2	E129 N132 L133 P178 N180 F184 L185	E129-Y182 HydrophobicContact CB-CD1 3.85Å; E129-Y182 HydrophobicContact CB-CE1 4.4Å; E129-Y182 HydrophobicContact CG-CD1 4.18Å; N132-Y182 HydrophobicContact CB-CE1 4.28Å; L133-Y182 HydrophobicContact CB-CD2 4.38Å; L133-Y182 HydrophobicContact CB-CE1 4.2Å; L133-Y182 HydrophobicContact CB-CE2 3.93Å; L133-Y182 HydrophobicContact CD1-CD2 4.05Å; L133-Y182 HydrophobicContact CD1-CE2 3.64Å; L133-Y182 HydrophobicContact CD2-CD2 4.44Å; L133-Y182 HydrophobicContact CG-CE2 4.26Å; L133-Y182 PolarHBondContact N-OH 2.84Å; P178-Y182 WeakPolarHBondContact O-CE2 3.47Å; N180-Y182 HydrophobicContact CB-CE1 4.36Å; N180-Y182 HydrophobicContact CB-CE2 4Å; N180-Y182 PolarHBondContact ND2-OH 2.89Å; Y182-F184 PolarHBondContact O-N 2.89Å; Y182-F184 VanDerWaalsContact O-N 3.08Å; Y182-L185 HydrophobicContact CD2-CD1 3.77Å; Y182-L185 HydrophobicContact CG-CD1 4.3Å; Y182-L185 PolarHBondContact O-N 3.45Å; Y182-L185 VanDerWaalsContact O-N 3.08Å
183	S	79.5	Confident	82.1	Confident	79 Å²	79	72.6 Å²	72.6	55%	0.552	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.4	-170.8	65.6	0	0	0	0	114.5	E129	E129-S183 PolarHBondContact OE1-OG 3.03Å; E129-S183 WeakPolarHBondContact OE2-CB 3.18Å; E129-S183 PolarHBondContact OE2-N 3.28Å; E129-S183 PolarHBondContact OE2-OG 2.67Å
184	F	82.6	Confident	82.5	Confident	26 Å²	26	68.3 Å²	68.3	11%	0.114	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	1	-178.2	62.5	-93	0	0	0	113.6	E129 L133 Y182 G200 L201 K204	E129-F184 HydrophobicContact CB-CD1 4.46Å; E129-F184 HydrophobicContact CB-CE1 3.75Å; E129-F184 WeakPolarHBondContact OE2-CD1 3.36Å; L133-F184 HydrophobicContact CB-CZ 4.42Å; L133-F184 HydrophobicContact CD2-CE2 3.43Å; L133-F184 VanDerWaalsContact CD2-CE2 3.43Å; L133-F184 HydrophobicContact CD2-CZ 3.42Å; L133-F184 VanDerWaalsContact CD2-CZ 3.42Å; Y182-F184 PolarHBondContact O-N 2.89Å; Y182-F184 VanDerWaalsContact O-N 3.08Å; F184-G200 WeakPolarHBondContact CD2-O 3.32Å; F184-L201 HydrophobicContact CZ-CD1 4.49Å; F184-K204 HydrophobicContact CB-CB 4.49Å; F184-K204 HydrophobicContact CB-CD 4.17Å; F184-K204 HydrophobicContact CB-CG 4.45Å; F184-K204 HydrophobicContact CD1-CB 4.38Å; F184-K204 HydrophobicContact CD1-CD 4.21Å; F184-K204 HydrophobicContact CD1-CG 3.89Å; F184-K204 HydrophobicContact CD2-CB 4.15Å; F184-K204 HydrophobicContact CE1-CG 4.22Å; F184-K204 HydrophobicContact CE2-CB 4.48Å; F184-K204 HydrophobicContact CG-CB 4.09Å; F184-K204 HydrophobicContact CG-CD 4.28Å; F184-K204 HydrophobicContact CG-CG 4.05Å
185	L	83.1	Confident	82.8	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.084	35%	0.351	C	S	.	.			trans	-103.9	112.1	173.4	-70.3	175.8	0	0	0	109.4	L133 Y182 S187	L133-L185 HydrophobicContact CD1-CD1 4.17Å; L133-L185 HydrophobicContact CD2-CD1 3.62Å; L133-L185 HydrophobicContact CD2-CG 4.31Å; Y182-L185 HydrophobicContact CD2-CD1 3.77Å; Y182-L185 HydrophobicContact CG-CD1 4.3Å; Y182-L185 PolarHBondContact O-N 3.45Å; Y182-L185 VanDerWaalsContact O-N 3.08Å; L185-S187 PolarHBondContact O-N 3.35Å
186	H	75.7	Confident	82.9	Confident	194 Å²	194	68.1 Å²	68.1	90%	0.898	37%	0.365	S	S	*	.			trans	-82.1	55.3	179.3	-61.2	-68.8	0	0	0	111.8
187	S	76.1	Confident	83	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	34%	0.343	S	S	.	.			trans	-134.7	137.5	174.3	-177.7	0	0	0	0	110.9	N179 L185 E189 V192	N179-S187 PolarHBondContact ND2-O 3.22Å; L185-S187 PolarHBondContact O-N 3.35Å; S187-E189 PolarHBondContact OG-N 3.18Å; S187-V192 VanDerWaalsContact CB-CG2 3.49Å
188	S	73.7	Confident	83	Confident	120 Å²	120	63.7 Å²	63.7	84%	0.839	35%	0.346	S	S	*	.			trans	-91.2	-1.4	172.8	55.5	0	0	0	0	113
189	E	80.8	Confident	83.1	Confident	122 Å²	122	66.2 Å²	66.2	57%	0.57	36%	0.36	S	S	*	.	S	Bend	trans	-78.9	145.4	179.6	-64.7	-173.2	172.4	0	0	110.9	N179 S187 F191	N179-E189 VanDerWaalsContact CB-O 3.28Å; N179-E189 WeakPolarHBondContact CB-O 3.06Å; N179-E189 PolarHBondContact ND2-O 3.08Å; S187-E189 PolarHBondContact OG-N 3.18Å; E189-F191 WeakPolarHBondContact CB-O 3.49Å; E189-F191 PolarHBondContact O-N 3.45Å
190	P	81.9	Confident	83.4	Confident	95 Å²	95	66.4 Å²	66.4	62%	0.617	36%	0.364	S	S	*	.	S	Bend	trans	-65.4	-18.1	-179.8	26.2	-34.4	0	0	0	113.2	N179	N179-P190 PolarHBondContact N-O 2.97Å
191	F	85.3	Confident	83.8	Confident	104 Å²	104	61.5 Å²	61.5	46%	0.456	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.7	176.5	-63.1	-81	0	0	0	109.1	Q176 V177 P178 E189	Q176-F191 HydrophobicContact CB-CB 3.98Å; V177-F191 WeakPolarHBondContact O-CA 3.49Å; P178-F191 HydrophobicContact CB-CD1 4.33Å; P178-F191 HydrophobicContact CB-CE1 4.2Å; E189-F191 WeakPolarHBondContact CB-O 3.49Å; E189-F191 PolarHBondContact O-N 3.45Å
192	V	88.2	Confident	84.4	Confident	6 Å²	6	59 Å²	59	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.2	178.8	171.7	0	0	0	0	108.4	Q176 V177 N179 S187 D196 A197	Q176-V192 CarbonylContact C-O 3.32Å; Q176-V192 WeakPolarHBondContact CA-O 3.18Å; Q176-V192 WeakPolarHBondContact CB-O 3.23Å; V177-V192 PolarHBondContact N-O 3.17Å; V177-V192 PolarHBondContact O-N 3.46Å; N179-V192 HydrophobicContact CB-CB 4.4Å; N179-V192 HydrophobicContact CB-CG2 3.64Å; S187-V192 VanDerWaalsContact CB-CG2 3.49Å; V192-D196 HydrophobicContact CG1-CB 3.62Å; V192-A197 HydrophobicContact CG1-CB 4.19Å
193	S	89.1	Confident	84.7	Confident	19 Å²	19	63.1 Å²	63.1	13%	0.133	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145.6	178.4	82.6	0	0	0	0	110.7	R175 K195 D196 A197	R175-S193 CarbonylContact O-C 3.56Å; R175-S193 WeakPolarHBondContact O-CA 3.27Å; S193-K195 PolarHBondContact O-N 3.09Å; S193-K195 VanDerWaalsContact O-N 3.14Å; S193-D196 PolarHBondContact O-N 3.41Å; S193-D196 PolarHBondContact OG-N 3.49Å; S193-D196 PolarHBondContact OG-OD2 3.48Å; S193-A197 WeakPolarHBondContact O-CB 3.02Å; S193-A197 PolarHBondContact O-N 3.05Å
194	C	89.6	Confident	85	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-31.4	175.7	-69.6	0	0	0	0	111	Y137 C141 S172 R175 S198	Y137-C194 HydrophobicContact CE2-CB 4.33Å; C141-C194 HydrophobicContact CB-CB 3.65Å; C141-C194 WeakPolarHBondContact CB-SG 3.3Å; C141-C194 WeakPolarHBondContact SG-CB 3.25Å; C141-C194 CovalentContact SG-SG 2.02Å; C141-C194 PolarHBondContact SG-SG 3.35Å; S172-C194 WeakPolarHBondContact O-CB 3.44Å; R175-C194 VanDerWaalsContact C-SG 3.59Å; R175-C194 HydrophobicContact CB-CB 4.41Å; R175-C194 WeakPolarHBondContact CB-SG 3.19Å; R175-C194 PolarHBondContact O-N 2.97Å; R175-C194 PolarHBondContact O-SG 3.01Å; R175-C194 VanDerWaalsContact O-SG 3.4Å; C194-S198 WeakPolarHBondContact O-CB 3.34Å; C194-S198 PolarHBondContact O-N 3.39Å
195	K	88.6	Confident	85.3	Confident	116 Å²	116	61 Å²	61	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-48.6	173.2	-175.1	-177.3	176.8	-171.6	0	111.9	P171 S172 P173 S193 S198	P171-K195 HydrophobicContact CG-CB 4.29Å; P171-K195 HydrophobicContact CG-CG 4.28Å; S172-K195 PolarHBondContact O-N 3.11Å; P173-K195 HydrophobicContact CB-CD 4.49Å; S193-K195 PolarHBondContact O-N 3.09Å; S193-K195 VanDerWaalsContact O-N 3.14Å; K195-S198 PolarHBondContact O-OG 2.98Å
196	D	87.8	Confident	85.5	Confident	95 Å²	95	62.8 Å²	62.8	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-74.5	-39.1	-178.8	-58.1	-39.9	0	0	0	111.6	V192 S193 S198 V199	V192-D196 HydrophobicContact CG1-CB 3.62Å; S193-D196 PolarHBondContact O-N 3.41Å; S193-D196 PolarHBondContact OG-N 3.49Å; S193-D196 PolarHBondContact OG-OD2 3.48Å; D196-S198 VanDerWaalsContact C-N 3.27Å; D196-S198 PolarHBondContact O-N 3.28Å; D196-V199 PolarHBondContact O-N 2.87Å
197	A	87.5	Confident	86.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-37.2	175.2	0	0	0	0	0	112.1	Y137 V177 V192 S193 V199 G200 L201	Y137-A197 HydrophobicContact CD2-CB 4.49Å; V177-A197 HydrophobicContact CG2-CB 3.44Å; V177-A197 VanDerWaalsContact CG2-CB 3.44Å; V192-A197 HydrophobicContact CG1-CB 4.19Å; S193-A197 WeakPolarHBondContact O-CB 3.02Å; S193-A197 PolarHBondContact O-N 3.05Å; A197-V199 VanDerWaalsContact C-N 3.3Å; A197-V199 PolarHBondContact O-N 3.21Å; A197-G200 PolarHBondContact O-N 3.32Å; A197-L201 WeakPolarHBondContact O-CB 3.49Å; A197-L201 PolarHBondContact O-N 2.77Å
198	S	88.3	Confident	86.6	Confident	7 Å²	7	57.6 Å²	57.6	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-38.2	178.5	76.5	0	0	0	0	112.9	P171 C194 K195 D196 K202	P171-S198 WeakPolarHBondContact CG-OG 3.45Å; C194-S198 WeakPolarHBondContact O-CB 3.34Å; C194-S198 PolarHBondContact O-N 3.39Å; K195-S198 PolarHBondContact O-OG 2.98Å; D196-S198 VanDerWaalsContact C-N 3.27Å; D196-S198 PolarHBondContact O-N 3.28Å; S198-K202 WeakPolarHBondContact O-CB 3.34Å; S198-K202 PolarHBondContact O-N 3.27Å
199	V	87.5	Confident	87.2	Confident	84 Å²	84	51.9 Å²	51.9	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-51.5	-177.1	178	0	0	0	0	109.6	D196 A197 L201 K202 D203	D196-V199 PolarHBondContact O-N 2.87Å; A197-V199 VanDerWaalsContact C-N 3.3Å; A197-V199 PolarHBondContact O-N 3.21Å; V199-L201 PolarHBondContact O-N 3.04Å; V199-K202 PolarHBondContact O-N 2.76Å; V199-D203 PolarHBondContact O-N 2.83Å; V199-D203 VanDerWaalsContact O-N 3.07Å
200	G	87.5	Confident	87.5	Confident	13 Å²	13	48.1 Å²	48.1	13%	0.134	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-43.8	178.2	0	0	0	0	0	112.6	F184 A197 K204	F184-G200 WeakPolarHBondContact CD2-O 3.32Å; A197-G200 PolarHBondContact O-N 3.32Å; G200-K204 VanDerWaalsContact O-CB 3.23Å; G200-K204 WeakPolarHBondContact O-CB 3.19Å; G200-K204 PolarHBondContact O-N 2.65Å
201	L	88.4	Confident	87.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-42.4	179.1	-174.7	58.8	0	0	0	111.8	I130 L133 F134 Y137 F168 F184 A197 V199 L205	I130-L201 HydrophobicContact CG2-CD1 4Å; L133-L201 HydrophobicContact CD2-CB 4.26Å; L133-L201 HydrophobicContact CD2-CD1 4.27Å; F134-L201 HydrophobicContact CB-CD1 4.38Å; F134-L201 HydrophobicContact CB-CD2 4.27Å; F134-L201 HydrophobicContact CD2-CD1 4.14Å; F134-L201 HydrophobicContact CD2-CD2 3.7Å; F134-L201 HydrophobicContact CD2-CG 4.1Å; F134-L201 HydrophobicContact CE2-CD2 4.4Å; F134-L201 HydrophobicContact CG-CD2 4.24Å; Y137-L201 HydrophobicContact CD1-CD2 4.2Å; Y137-L201 HydrophobicContact CD2-CD2 4.38Å; Y137-L201 HydrophobicContact CG-CD2 3.93Å; F168-L201 HydrophobicContact CE1-CB 4.38Å; F168-L201 HydrophobicContact CE1-CD2 4.12Å; F168-L201 HydrophobicContact CE1-CG 4.3Å; F168-L201 HydrophobicContact CZ-CB 4.48Å; F168-L201 HydrophobicContact CZ-CD2 4.11Å; F168-L201 HydrophobicContact CZ-CG 4.05Å; F184-L201 HydrophobicContact CZ-CD1 4.49Å; A197-L201 WeakPolarHBondContact O-CB 3.49Å; A197-L201 PolarHBondContact O-N 2.77Å; V199-L201 PolarHBondContact O-N 3.04Å; L201-L205 WeakPolarHBondContact O-CB 3.27Å; L201-L205 PolarHBondContact O-N 2.93Å
202	K	89.2	Confident	87.1	Confident	88 Å²	88	44 Å²	44	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-49.6	177.3	-177.3	-175.2	-177.7	177.5	0	111.6	Y164 F168 S198 V199 L205 N206	Y164-K202 HydrophobicContact CE1-CG 4.34Å; Y164-K202 HydrophobicContact CE2-CG 4.43Å; Y164-K202 WeakPolarHBondContact OH-CG 3.45Å; Y164-K202 PolarHBondContact OH-O 3.4Å; Y164-K202 VanDerWaalsContact OH-O 3.05Å; F168-K202 HydrophobicContact CB-CD 4.23Å; F168-K202 HydrophobicContact CD1-CB 4.41Å; F168-K202 HydrophobicContact CD2-CB 4.16Å; F168-K202 HydrophobicContact CD2-CG 4.11Å; F168-K202 HydrophobicContact CE2-CB 4.31Å; F168-K202 HydrophobicContact CG-CB 4.23Å; F168-K202 HydrophobicContact CG-CD 4.46Å; F168-K202 HydrophobicContact CG-CG 4.37Å; F168-K202 HydrophobicContact CZ-CB 4.48Å; S198-K202 WeakPolarHBondContact O-CB 3.34Å; S198-K202 PolarHBondContact O-N 3.27Å; V199-K202 PolarHBondContact O-N 2.76Å; K202-L205 PolarHBondContact O-N 3.33Å; K202-N206 WeakPolarHBondContact O-CB 3.42Å; K202-N206 PolarHBondContact O-N 3.47Å
203	D	87.9	Confident	86.9	Confident	100 Å²	100	43.8 Å²	43.8	54%	0.535	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-42.2	-178.5	-72.1	-17.4	0	0	0	111.7	V199 N206 F207	V199-D203 PolarHBondContact O-N 2.83Å; V199-D203 VanDerWaalsContact O-N 3.07Å; D203-N206 PolarHBondContact O-N 2.81Å; D203-F207 PolarHBondContact O-N 3.09Å
204	K	86.9	Confident	86.6	Confident	59 Å²	59	49.7 Å²	49.7	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-41.5	178.5	-166.5	68.3	173.1	-169.5	0	111.9	N127 I130 F184 G200 F207 D208	N127-K204 WeakPolarHBondContact ND2-CE 3.48Å; I130-K204 HydrophobicContact CD1-CB 4.45Å; I130-K204 HydrophobicContact CD1-CG 3.77Å; I130-K204 HydrophobicContact CG1-CG 3.87Å; F184-K204 HydrophobicContact CB-CB 4.49Å; F184-K204 HydrophobicContact CB-CD 4.17Å; F184-K204 HydrophobicContact CB-CG 4.45Å; F184-K204 HydrophobicContact CD1-CB 4.38Å; F184-K204 HydrophobicContact CD1-CD 4.21Å; F184-K204 HydrophobicContact CD1-CG 3.89Å; F184-K204 HydrophobicContact CD2-CB 4.15Å; F184-K204 HydrophobicContact CE1-CG 4.22Å; F184-K204 HydrophobicContact CE2-CB 4.48Å; F184-K204 HydrophobicContact CG-CB 4.09Å; F184-K204 HydrophobicContact CG-CD 4.28Å; F184-K204 HydrophobicContact CG-CG 4.05Å; G200-K204 VanDerWaalsContact O-CB 3.23Å; G200-K204 WeakPolarHBondContact O-CB 3.19Å; G200-K204 PolarHBondContact O-N 2.65Å; K204-F207 PolarHBondContact O-N 3.04Å; K204-D208 VanDerWaalsContact O-CB 3.26Å; K204-D208 WeakPolarHBondContact O-CB 3.11Å; K204-D208 PolarHBondContact O-N 2.97Å
205	L	87.7	Confident	86.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-39.7	176.5	-176.4	59.3	0	0	0	111.6	I130 F134 Y164 F168 L201 K202 D208 T209 V260	I130-L205 HydrophobicContact CG2-CD1 4.23Å; F134-L205 HydrophobicContact CD2-CD2 4.39Å; F134-L205 HydrophobicContact CE2-CD2 3.94Å; Y164-L205 HydrophobicContact CD2-CD2 3.94Å; Y164-L205 HydrophobicContact CE2-CD2 3.82Å; Y164-L205 HydrophobicContact CE2-CG 4.23Å; F168-L205 HydrophobicContact CE2-CD2 4.46Å; L201-L205 WeakPolarHBondContact O-CB 3.27Å; L201-L205 PolarHBondContact O-N 2.93Å; K202-L205 PolarHBondContact O-N 3.33Å; L205-D208 PolarHBondContact O-N 2.96Å; L205-T209 HydrophobicContact CD1-CG2 4.04Å; L205-T209 WeakPolarHBondContact O-CB 3.38Å; L205-T209 WeakPolarHBondContact O-CG2 3.46Å; L205-T209 PolarHBondContact O-N 2.87Å; L205-T209 VanDerWaalsContact O-N 3.16Å; L205-T209 PolarHBondContact O-OG1 2.82Å; L205-V260 HydrophobicContact CD1-CG1 3.65Å
206	N	87.6	Confident	86.5	Confident	55 Å²	55	44.2 Å²	44.2	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-43.3	173.9	-172.9	47.2	0	0	0	111.8	K202 D203 T209 N210 R257	K202-N206 WeakPolarHBondContact O-CB 3.42Å; K202-N206 PolarHBondContact O-N 3.47Å; D203-N206 PolarHBondContact O-N 2.81Å; N206-T209 PolarHBondContact O-OG1 3.21Å; N206-N210 PolarHBondContact O-N 3Å; N206-N210 PolarHBondContact O-ND2 3.26Å; N206-N210 PolarHBondContact OD1-ND2 3.03Å; N206-R257 PolarHBondContact OD1-NH1 3.39Å
207	F	87.7	Confident	86.4	Confident	121 Å²	121	44.9 Å²	44.9	53%	0.531	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-44.6	176.1	179.3	-96.9	0	0	0	112.4	D203 K204 T209 N210	D203-F207 PolarHBondContact O-N 3.09Å; K204-F207 PolarHBondContact O-N 3.04Å; F207-T209 PolarHBondContact O-N 3.5Å; F207-N210 PolarHBondContact O-N 3.46Å; F207-N210 VanDerWaalsContact O-N 3.14Å
208	D	86.7	Confident	86.4	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-24.8	-176.1	-169.4	48	0	0	0	113.6	S125 I130 K204 L205 K214 T215 W216	S125-D208 PolarHBondContact OG-OD2 2.92Å; I130-D208 HydrophobicContact CD1-CB 3.71Å; K204-D208 VanDerWaalsContact O-CB 3.26Å; K204-D208 WeakPolarHBondContact O-CB 3.11Å; K204-D208 PolarHBondContact O-N 2.97Å; L205-D208 PolarHBondContact O-N 2.96Å; D208-K214 PolarHBondContact OD1-N 3.32Å; D208-K214 VanDerWaalsContact OD1-N 3.14Å; D208-T215 WeakPolarHBondContact O-CB 3.41Å; D208-T215 PolarHBondContact OD1-N 3.38Å; D208-T215 PolarHBondContact OD1-OG1 2.84Å; D208-T215 VanDerWaalsContact OD2-CB 3.3Å; D208-T215 WeakPolarHBondContact OD2-CB 3.02Å; D208-T215 PolarHBondContact OD2-OG1 3.29Å; D208-W216 PolarHBondContact O-N 2.75Å
209	T	86.5	Confident	86.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.4	179.1	56.6	0	0	0	0	113.6	L205 N206 F207 W216 M256 R257 V260	L205-T209 HydrophobicContact CD1-CG2 4.04Å; L205-T209 WeakPolarHBondContact O-CB 3.38Å; L205-T209 WeakPolarHBondContact O-CG2 3.46Å; L205-T209 PolarHBondContact O-N 2.87Å; L205-T209 VanDerWaalsContact O-N 3.16Å; L205-T209 PolarHBondContact O-OG1 2.82Å; N206-T209 PolarHBondContact O-OG1 3.21Å; F207-T209 PolarHBondContact O-N 3.5Å; T209-W216 VanDerWaalsContact O-CE3 3.28Å; T209-M256 HydrophobicContact CG2-CG 4.36Å; T209-R257 HydrophobicContact CG2-CB 4.06Å; T209-R257 HydrophobicContact CG2-CG 4.35Å; T209-V260 HydrophobicContact CG2-CB 4.31Å; T209-V260 HydrophobicContact CG2-CG2 4.24Å
210	N	87.6	Confident	86.2	Confident	44 Å²	44	45.4 Å²	45.4	24%	0.235	23%	0.232	C	C	.	.	S	Bend	trans	-101.7	166.3	174.4	-85.7	-56	0	0	0	111.3	N206 F207 G212 G213 W216 S253	N206-N210 PolarHBondContact O-N 3Å; N206-N210 PolarHBondContact O-ND2 3.26Å; N206-N210 PolarHBondContact OD1-ND2 3.03Å; F207-N210 PolarHBondContact O-N 3.46Å; F207-N210 VanDerWaalsContact O-N 3.14Å; N210-G212 PolarHBondContact O-N 3.37Å; N210-G212 VanDerWaalsContact O-N 3.15Å; N210-G213 PolarHBondContact O-N 2.87Å; N210-W216 WeakPolarHBondContact O-CB 3.49Å; N210-S253 WeakPolarHBondContact OD1-CB 3.36Å
211	T	79.5	Confident	86	Confident	55 Å²	55	50.2 Å²	50.2	34%	0.337	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	118.5	176.2	-55.6	0	0	0	0	110.7	W216 D231 R235	T211-W216 VanDerWaalsContact OG1-CE2 3.29Å; T211-W216 WeakPolarHBondContact OG1-CZ2 3.46Å; T211-W216 PolarHBondContact OG1-NE1 2.97Å; T211-D231 HydrophobicContact CG2-CB 4.22Å; T211-R235 VanDerWaalsContact CB-NH2 3.32Å; T211-R235 VanDerWaalsContact OG1-CZ 3.32Å; T211-R235 PolarHBondContact OG1-NE 3.44Å; T211-R235 VanDerWaalsContact OG1-NE 3.12Å; T211-R235 PolarHBondContact OG1-NH2 3.08Å
212	G	79.4	Confident	85.7	Confident	58 Å²	58	54.6 Å²	54.6	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.7	-15.7	-171.3	0	0	0	0	0	114.3	N210	N210-G212 PolarHBondContact O-N 3.37Å; N210-G212 VanDerWaalsContact O-N 3.15Å
213	G	83.4	Confident	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-70.9	152.1	172.3	0	0	0	0	0	113	N210 T215 W216 H217	N210-G213 PolarHBondContact O-N 2.87Å; G213-T215 VanDerWaalsContact C-N 3.31Å; G213-T215 PolarHBondContact O-N 3.31Å; G213-W216 PolarHBondContact O-N 3.14Å; G213-H217 PolarHBondContact O-N 3.49Å
214	K	84	Confident	84.8	Confident	143 Å²	143	48 Å²	48	62%	0.622	24%	0.239	S	C	*	.	H	α-helix	trans	-64.5	-40.6	179.2	-72.2	-174.5	177.8	-179.9	0	110.8	D208 Y218	D208-K214 PolarHBondContact OD1-N 3.32Å; D208-K214 VanDerWaalsContact OD1-N 3.14Å; K214-Y218 VanDerWaalsContact O-CB 3.31Å; K214-Y218 WeakPolarHBondContact O-CB 3.35Å; K214-Y218 PolarHBondContact O-N 2.82Å
215	T	86.5	Confident	84	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-44.1	179.5	-57	0	0	0	0	111.4	L124 S125 R126 D208 G213 Y218 Y219 M256 V260	L124-T215 WeakPolarHBondContact O-CG2 3.45Å; S125-T215 WeakPolarHBondContact CA-OG1 3.38Å; R126-T215 HydrophobicContact CG-CG2 4.38Å; R126-T215 PolarHBondContact N-OG1 3.3Å; D208-T215 WeakPolarHBondContact O-CB 3.41Å; D208-T215 PolarHBondContact OD1-N 3.38Å; D208-T215 PolarHBondContact OD1-OG1 2.84Å; D208-T215 VanDerWaalsContact OD2-CB 3.3Å; D208-T215 WeakPolarHBondContact OD2-CB 3.02Å; D208-T215 PolarHBondContact OD2-OG1 3.29Å; G213-T215 VanDerWaalsContact C-N 3.31Å; G213-T215 PolarHBondContact O-N 3.31Å; T215-Y218 PolarHBondContact O-N 2.85Å; T215-Y219 HydrophobicContact CG2-CD2 3.75Å; T215-Y219 HydrophobicContact CG2-CE2 3.59Å; T215-Y219 VanDerWaalsContact O-CD2 3.29Å; T215-Y219 WeakPolarHBondContact O-CD2 3.49Å; T215-Y219 PolarHBondContact O-N 3.36Å; T215-Y219 VanDerWaalsContact O-N 3.16Å; T215-M256 HydrophobicContact CG2-CE 3.51Å; T215-M256 WeakPolarHBondContact O-CE 3.36Å; T215-V260 HydrophobicContact CG2-CG2 4.33Å
216	W	88.5	Confident	82.9	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-54.4	-56	173.2	-179	-82.8	0	0	0	111.8	D208 T209 N210 T211 G213 Y218 Y219 V220 D231 F234 R235 A252 M256	D208-W216 PolarHBondContact O-N 2.75Å; T209-W216 VanDerWaalsContact O-CE3 3.28Å; N210-W216 WeakPolarHBondContact O-CB 3.49Å; T211-W216 VanDerWaalsContact OG1-CE2 3.29Å; T211-W216 WeakPolarHBondContact OG1-CZ2 3.46Å; T211-W216 PolarHBondContact OG1-NE1 2.97Å; G213-W216 PolarHBondContact O-N 3.14Å; W216-Y218 VanDerWaalsContact C-N 3.31Å; W216-Y218 PolarHBondContact O-N 3.49Å; W216-Y219 PolarHBondContact O-N 3.16Å; W216-V220 HydrophobicContact CD2-CG2 4.37Å; W216-V220 HydrophobicContact CG-CG2 4.37Å; W216-V220 HydrophobicContact CZ2-CG2 4.43Å; W216-V220 WeakPolarHBondContact O-CB 3.46Å; W216-V220 VanDerWaalsContact O-CG2 3.23Å; W216-V220 WeakPolarHBondContact O-CG2 3.31Å; W216-V220 PolarHBondContact O-N 3.5Å; W216-D231 VanDerWaalsContact CD1-OD1 3.31Å; W216-D231 PolarHBondContact NE1-OD1 3.31Å; W216-F234 HydrophobicContact CD2-CD1 4.49Å; W216-F234 HydrophobicContact CD2-CE1 4.3Å; W216-F234 HydrophobicContact CE3-CD1 4.44Å; W216-F234 AromaticContact CE3-CE1 3.95Å; W216-F234 HydrophobicContact CE3-CE1 3.95Å; W216-F234 AromaticContact CH2-CD1 3.42Å; W216-F234 HydrophobicContact CH2-CD1 3.42Å; W216-F234 VanDerWaalsContact CH2-CD1 3.42Å; W216-F234 AromaticContact CH2-CE1 3.57Å; W216-F234 HydrophobicContact CH2-CE1 3.57Å; W216-F234 AromaticContact CZ2-CD1 3.47Å; W216-F234 HydrophobicContact CZ2-CD1 3.47Å; W216-F234 VanDerWaalsContact CZ2-CD1 3.47Å; W216-F234 AromaticContact CZ2-CE1 3.96Å; W216-F234 HydrophobicContact CZ2-CE1 3.96Å; W216-F234 AromaticContact CZ3-CD1 3.94Å; W216-F234 HydrophobicContact CZ3-CD1 3.94Å; W216-F234 AromaticContact CZ3-CE1 3.57Å; W216-F234 HydrophobicContact CZ3-CE1 3.57Å; W216-R235 HydrophobicContact CH2-CG 3.57Å; W216-R235 HydrophobicContact CZ2-CG 3.67Å; W216-A252 HydrophobicContact CH2-CB 3.78Å; W216-A252 HydrophobicContact CZ3-CB 4.09Å; W216-M256 HydrophobicContact CB-CE 4.43Å; W216-M256 HydrophobicContact CB-SD 4.38Å; W216-M256 HydrophobicContact CD2-SD 4.31Å; W216-M256 HydrophobicContact CE3-SD 3.51Å; W216-M256 VanDerWaalsContact CE3-SD 3.51Å; W216-M256 HydrophobicContact CZ3-SD 4.17Å
217	H	86.6	Confident	81.9	Confident	110 Å²	110	53.7 Å²	53.7	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-59.5	-41.5	-178.5	-173.4	-76.6	0	0	0	112.3	G213 Q221	G213-H217 PolarHBondContact O-N 3.49Å; H217-Q221 PolarHBondContact CE1-OE1 3.41Å; H217-Q221 PolarHBondContact ND1-OE1 2.91Å; H217-Q221 VanDerWaalsContact O-CB 3.25Å; H217-Q221 WeakPolarHBondContact O-CB 3.46Å; H217-Q221 PolarHBondContact O-N 2.89Å
218	Y	86.5	Confident	80.6	Confident	88 Å²	88	53 Å²	53	35%	0.345	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-51.5	179.2	177.8	-87.9	0	0	0	112.2	R126 K214 T215 W216 Q222	R126-Y218 HydrophobicContact CG-CD1 3.84Å; R126-Y218 HydrophobicContact CG-CD2 4.36Å; R126-Y218 HydrophobicContact CG-CE1 4.46Å; R126-Y218 HydrophobicContact CG-CG 3.81Å; R126-Y218 PolarHBondContact NH2-OH 2.89Å; K214-Y218 VanDerWaalsContact O-CB 3.31Å; K214-Y218 WeakPolarHBondContact O-CB 3.35Å; K214-Y218 PolarHBondContact O-N 2.82Å; T215-Y218 PolarHBondContact O-N 2.85Å; W216-Y218 VanDerWaalsContact C-N 3.31Å; W216-Y218 PolarHBondContact O-N 3.49Å; Y218-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y218-Q222 VanDerWaalsContact O-CB 3.31Å; Y218-Q222 WeakPolarHBondContact O-CB 3.3Å; Y218-Q222 PolarHBondContact O-N 3.12Å
219	Y	86.4	Confident	79.9	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-72.8	-36.4	-176.8	-75.4	-67.2	0	0	0	112.7	D122 F123 L124 T215 W216 Q222 I223 M256	D122-Y219 PolarHBondContact O-OH 2.75Å; F123-Y219 WeakPolarHBondContact CA-OH 3.46Å; F123-Y219 HydrophobicContact CB-CD2 4.33Å; F123-Y219 HydrophobicContact CB-CE2 3.9Å; F123-Y219 AromaticContact CD1-CD1 3.32Å; F123-Y219 HydrophobicContact CD1-CD1 3.32Å; F123-Y219 AromaticContact CD1-CD2 3.84Å; F123-Y219 HydrophobicContact CD1-CD2 3.84Å; F123-Y219 AromaticContact CD1-CE1 3.32Å; F123-Y219 HydrophobicContact CD1-CE1 3.32Å; F123-Y219 AromaticContact CD1-CE2 3.85Å; F123-Y219 HydrophobicContact CD1-CE2 3.85Å; F123-Y219 AromaticContact CD1-CG 3.58Å; F123-Y219 HydrophobicContact CD1-CG 3.58Å; F123-Y219 AromaticContact CD1-CZ 3.6Å; F123-Y219 HydrophobicContact CD2-CD2 4.49Å; F123-Y219 AromaticContact CE1-CD1 3.26Å; F123-Y219 HydrophobicContact CE1-CD1 3.26Å; F123-Y219 HydrophobicContact CE1-CD2 4.24Å; F123-Y219 AromaticContact CE1-CE1 3.74Å; F123-Y219 HydrophobicContact CE1-CE1 3.74Å; F123-Y219 AromaticContact CE1-CG 3.54Å; F123-Y219 HydrophobicContact CE1-CG 3.54Å; F123-Y219 HydrophobicContact CG-CD1 4.27Å; F123-Y219 AromaticContact CG-CD2 3.97Å; F123-Y219 HydrophobicContact CG-CD2 3.97Å; F123-Y219 HydrophobicContact CG-CE1 4.25Å; F123-Y219 AromaticContact CG-CE2 3.96Å; F123-Y219 HydrophobicContact CG-CE2 3.96Å; F123-Y219 HydrophobicContact CG-CG 4.12Å; F123-Y219 HydrophobicContact CZ-CD1 4.18Å; F123-Y219 HydrophobicContact CZ-CG 4.07Å; L124-Y219 PolarHBondContact N-OH 3.47Å; L124-Y219 WeakPolarHBondContact O-CE2 3.32Å; L124-Y219 PolarHBondContact O-OH 2.87Å; T215-Y219 HydrophobicContact CG2-CD2 3.75Å; T215-Y219 HydrophobicContact CG2-CE2 3.59Å; T215-Y219 VanDerWaalsContact O-CD2 3.29Å; T215-Y219 WeakPolarHBondContact O-CD2 3.49Å; T215-Y219 PolarHBondContact O-N 3.36Å; T215-Y219 VanDerWaalsContact O-N 3.16Å; W216-Y219 PolarHBondContact O-N 3.16Å; Y219-Q222 PolarHBondContact O-N 3.38Å; Y219-I223 WeakPolarHBondContact O-CB 3.49Å; Y219-I223 WeakPolarHBondContact O-CD1 3.43Å; Y219-I223 VanDerWaalsContact O-CG1 3.23Å; Y219-I223 WeakPolarHBondContact O-CG1 3.45Å; Y219-I223 PolarHBondContact O-N 2.92Å; Y219-M256 HydrophobicContact CD2-CE 3.59Å; Y219-M256 HydrophobicContact CE2-CE 4.41Å; Y219-M256 HydrophobicContact CG-CE 4.39Å
220	V	85.7	Confident	79.4	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-49.8	174.1	169.2	0	0	0	0	110.6	W216 Q222 I223 F224 P230 F234	W216-V220 HydrophobicContact CD2-CG2 4.37Å; W216-V220 HydrophobicContact CG-CG2 4.37Å; W216-V220 HydrophobicContact CZ2-CG2 4.43Å; W216-V220 WeakPolarHBondContact O-CB 3.46Å; W216-V220 VanDerWaalsContact O-CG2 3.23Å; W216-V220 WeakPolarHBondContact O-CG2 3.31Å; W216-V220 PolarHBondContact O-N 3.5Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3Å; V220-I223 PolarHBondContact O-N 3.48Å; V220-F224 PolarHBondContact O-N 2.88Å; V220-P230 HydrophobicContact CG1-CB 3.52Å; V220-P230 HydrophobicContact CG1-CG 3.82Å; V220-F234 HydrophobicContact CG2-CB 3.92Å; V220-F234 HydrophobicContact CG2-CD1 3.46Å; V220-F234 VanDerWaalsContact CG2-CD1 3.46Å; V220-F234 HydrophobicContact CG2-CD2 4.38Å; V220-F234 HydrophobicContact CG2-CE1 3.93Å; V220-F234 HydrophobicContact CG2-CG 3.68Å
221	Q	83.6	Confident	79	Confident	114 Å²	114	60.7 Å²	60.7	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-35	178	-168.9	177.5	8.2	0	0	112.1	H217 I223 G225	H217-Q221 PolarHBondContact CE1-OE1 3.41Å; H217-Q221 PolarHBondContact ND1-OE1 2.91Å; H217-Q221 VanDerWaalsContact O-CB 3.25Å; H217-Q221 WeakPolarHBondContact O-CB 3.46Å; H217-Q221 PolarHBondContact O-N 2.89Å; Q221-I223 VanDerWaalsContact C-N 3.35Å; Q221-G225 WeakPolarHBondContact O-CA 3.41Å; Q221-G225 PolarHBondContact O-N 3.04Å
222	Q	82	Confident	79	Confident	92 Å²	92	63.6 Å²	63.6	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-71.1	-27.7	177.3	-163.6	-167.4	-7.9	0	0	113.2	K119 Y218 Y219 V220	K119-Q222 PolarHBondContact NZ-O 3.02Å; Y218-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y218-Q222 VanDerWaalsContact O-CB 3.31Å; Y218-Q222 WeakPolarHBondContact O-CB 3.3Å; Y218-Q222 PolarHBondContact O-N 3.12Å; Y219-Q222 PolarHBondContact O-N 3.38Å; V220-Q222 VanDerWaalsContact C-N 3.32Å; V220-Q222 PolarHBondContact O-N 3Å
223	I	80.9	Confident	79	Confident	33 Å²	33	63.3 Å²	63.3	17%	0.169	34%	0.341	C	S	.	.	H	α-helix	trans	-90.2	-47.1	-177	-68.4	164.5	0	0	0	111.2	F112 L116 K119 F123 Y219 V220 Q221 F234	F112-I223 HydrophobicContact CE2-CG2 4.41Å; F112-I223 HydrophobicContact CZ-CG2 4.3Å; L116-I223 HydrophobicContact CD1-CD1 3.72Å; L116-I223 HydrophobicContact CD1-CG2 4.1Å; K119-I223 HydrophobicContact CD-CD1 4.35Å; K119-I223 HydrophobicContact CD-CG1 3.96Å; F123-I223 HydrophobicContact CE1-CD1 4.27Å; F123-I223 HydrophobicContact CZ-CD1 3.85Å; Y219-I223 WeakPolarHBondContact O-CB 3.49Å; Y219-I223 WeakPolarHBondContact O-CD1 3.43Å; Y219-I223 VanDerWaalsContact O-CG1 3.23Å; Y219-I223 WeakPolarHBondContact O-CG1 3.45Å; Y219-I223 PolarHBondContact O-N 2.92Å; V220-I223 PolarHBondContact O-N 3.48Å; Q221-I223 VanDerWaalsContact C-N 3.35Å; I223-F234 HydrophobicContact CD1-CD2 4.28Å; I223-F234 HydrophobicContact CD1-CE2 3.8Å
224	F	77.1	Confident	79.1	Confident	16 Å²	16	63.3 Å²	63.3	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-104.8	-6.6	-174	-64.3	-71	0	0	0	114	F112 V220 R227 P230 L233 F234 L237	F112-F224 HydrophobicContact CE1-CE1 4.45Å; F112-F224 HydrophobicContact CE1-CZ 4.39Å; F112-F224 HydrophobicContact CE2-CE1 4.25Å; F112-F224 AromaticContact CZ-CE1 3.59Å; F112-F224 HydrophobicContact CZ-CE1 3.59Å; F112-F224 AromaticContact CZ-CZ 3.67Å; F112-F224 HydrophobicContact CZ-CZ 3.67Å; V220-F224 PolarHBondContact O-N 2.88Å; F224-R227 WeakPolarHBondContact O-CG 3.38Å; F224-P230 HydrophobicContact CB-CB 4.16Å; F224-L233 HydrophobicContact CD1-CD2 3.57Å; F224-L233 HydrophobicContact CD1-CG 4.39Å; F224-L233 HydrophobicContact CE1-CD2 3.64Å; F224-L233 HydrophobicContact CE1-CG 4.06Å; F224-L233 HydrophobicContact CG-CD2 4.21Å; F224-L233 HydrophobicContact CZ-CD2 4.34Å; F224-L233 HydrophobicContact CZ-CG 4.31Å; F224-F234 HydrophobicContact CD2-CB 4.09Å; F224-F234 HydrophobicContact CE2-CB 3.58Å; F224-F234 AromaticContact CE2-CD2 3.81Å; F224-F234 HydrophobicContact CE2-CD2 3.81Å; F224-F234 HydrophobicContact CE2-CG 4.16Å; F224-L237 HydrophobicContact CE1-CD1 3.6Å; F224-L237 HydrophobicContact CZ-CB 4.49Å; F224-L237 HydrophobicContact CZ-CD1 3.6Å
225	G	69.5	Low	79	Confident	34 Å²	34	62.2 Å²	62.2	35%	0.351	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	-143.5	-177	0	0	0	0	0	111.8	Q221 R227	Q221-G225 WeakPolarHBondContact O-CA 3.41Å; Q221-G225 PolarHBondContact O-N 3.04Å; G225-R227 VanDerWaalsContact C-N 3.28Å; G225-R227 PolarHBondContact O-N 3.05Å
226	G	64.8	Low	78.9	Confident	88 Å²	88	67.3 Å²	67.3	91%	0.907	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	29.5	-179.4	0	0	0	0	0	115
227	R	67.2	Low	78.7	Confident	114 Å²	114	67.8 Å²	67.8	43%	0.43	36%	0.359	S	S	.	.			trans	-61.7	145.5	176.3	-79.6	-176.3	178	-173	-2.7	110.7	S60 F224 G225 D229 P230	S60-R227 PolarHBondContact O-NH2 3.03Å; F224-R227 WeakPolarHBondContact O-CG 3.38Å; G225-R227 VanDerWaalsContact C-N 3.28Å; G225-R227 PolarHBondContact O-N 3.05Å; R227-D229 PolarHBondContact O-N 3.19Å; R227-P230 WeakPolarHBondContact O-CD 3.45Å
228	P	59.9	Low	78.6	Confident	106 Å²	106	62.6 Å²	62.6	69%	0.688	34%	0.335	S	S	*	.	S	Bend	trans	-62.3	134.4	167.4	25.4	-29.8	0	0	0	109.4
229	D	71.4	Confident	78.5	Confident	125 Å²	125	59.8 Å²	59.8	67%	0.668	33%	0.328	S	S	*	.	S	Bend	trans	56.5	53.2	-179	-54.6	-37.8	0	0	0	116.8	R227 D231 L232 L233	R227-D229 PolarHBondContact O-N 3.19Å; D229-D231 PolarHBondContact O-N 3.39Å; D229-L232 PolarHBondContact O-N 2.96Å; D229-L233 PolarHBondContact O-N 3.19Å
230	P	76.9	Confident	78.4	Confident	31 Å²	31	62 Å²	62	20%	0.201	34%	0.341	C	S	.	.	H	α-helix	trans	-70	-23.9	-174.1	34.9	-36.7	0	0	0	112.2	V220 F224 R227 F234	V220-P230 HydrophobicContact CG1-CB 3.52Å; V220-P230 HydrophobicContact CG1-CG 3.82Å; F224-P230 HydrophobicContact CB-CB 4.16Å; R227-P230 WeakPolarHBondContact O-CD 3.45Å; P230-F234 VanDerWaalsContact O-CB 3.24Å; P230-F234 WeakPolarHBondContact O-CB 3.47Å; P230-F234 PolarHBondContact O-N 3.36Å
231	D	79.5	Confident	78.2	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-68	-42.6	178.4	-68.1	-55.5	0	0	0	113	T211 W216 D229 R235	T211-D231 HydrophobicContact CG2-CB 4.22Å; W216-D231 VanDerWaalsContact CD1-OD1 3.31Å; W216-D231 PolarHBondContact NE1-OD1 3.31Å; D229-D231 PolarHBondContact O-N 3.39Å; D231-R235 VanDerWaalsContact O-CG 3.28Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.97Å; D231-R235 VanDerWaalsContact O-N 3.1Å
232	L	80.1	Confident	78.1	Confident	117 Å²	117	56.8 Å²	56.8	61%	0.613	32%	0.316	S	S	*	.	H	α-helix	trans	-68.6	-47	179.6	-177.8	67.7	0	0	0	110	D229 F234 R235 E236	D229-L232 PolarHBondContact O-N 2.96Å; L232-F234 VanDerWaalsContact C-N 3.32Å; L232-F234 PolarHBondContact O-N 2.84Å; L232-R235 WeakPolarHBondContact O-CB 3.49Å; L232-R235 PolarHBondContact O-N 3.5Å; L232-R235 VanDerWaalsContact O-N 3.16Å; L232-E236 PolarHBondContact O-N 2.69Å; L232-E236 VanDerWaalsContact O-N 3.12Å
233	L	79.7	Confident	78.1	Confident	52 Å²	52	54.8 Å²	54.8	27%	0.272	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-41.3	179.2	-169.7	69.7	0	0	0	111.6	F224 D229 L237	F224-L233 HydrophobicContact CD1-CD2 3.57Å; F224-L233 HydrophobicContact CD1-CG 4.39Å; F224-L233 HydrophobicContact CE1-CD2 3.64Å; F224-L233 HydrophobicContact CE1-CG 4.06Å; F224-L233 HydrophobicContact CG-CD2 4.21Å; F224-L233 HydrophobicContact CZ-CD2 4.34Å; F224-L233 HydrophobicContact CZ-CG 4.31Å; D229-L233 PolarHBondContact O-N 3.19Å; L233-L237 HydrophobicContact CD1-CD1 3.79Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CD2-CD1 4.23Å; L233-L237 HydrophobicContact CG-CD1 3.63Å; L233-L237 HydrophobicContact CG-CG 4.29Å; L233-L237 VanDerWaalsContact O-CB 3.32Å; L233-L237 WeakPolarHBondContact O-CB 3.24Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.36Å; L233-L237 PolarHBondContact O-N 2.72Å
234	F	84	Confident	78.1	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-41.2	175.3	178.4	-111.9	0	0	0	112.5	L116 F123 W216 V220 I223 F224 P230 L232 E236 L238 M256	L116-F234 HydrophobicContact CD1-CE2 4.28Å; F123-F234 HydrophobicContact CE2-CE2 4.28Å; F123-F234 AromaticContact CE2-CZ 3.82Å; F123-F234 HydrophobicContact CE2-CZ 3.82Å; F123-F234 HydrophobicContact CZ-CE2 4.18Å; F123-F234 HydrophobicContact CZ-CZ 4.13Å; W216-F234 HydrophobicContact CD2-CD1 4.49Å; W216-F234 HydrophobicContact CD2-CE1 4.3Å; W216-F234 HydrophobicContact CE3-CD1 4.44Å; W216-F234 AromaticContact CE3-CE1 3.95Å; W216-F234 HydrophobicContact CE3-CE1 3.95Å; W216-F234 AromaticContact CH2-CD1 3.42Å; W216-F234 HydrophobicContact CH2-CD1 3.42Å; W216-F234 VanDerWaalsContact CH2-CD1 3.42Å; W216-F234 AromaticContact CH2-CE1 3.57Å; W216-F234 HydrophobicContact CH2-CE1 3.57Å; W216-F234 AromaticContact CZ2-CD1 3.47Å; W216-F234 HydrophobicContact CZ2-CD1 3.47Å; W216-F234 VanDerWaalsContact CZ2-CD1 3.47Å; W216-F234 AromaticContact CZ2-CE1 3.96Å; W216-F234 HydrophobicContact CZ2-CE1 3.96Å; W216-F234 AromaticContact CZ3-CD1 3.94Å; W216-F234 HydrophobicContact CZ3-CD1 3.94Å; W216-F234 AromaticContact CZ3-CE1 3.57Å; W216-F234 HydrophobicContact CZ3-CE1 3.57Å; V220-F234 HydrophobicContact CG2-CB 3.92Å; V220-F234 HydrophobicContact CG2-CD1 3.46Å; V220-F234 VanDerWaalsContact CG2-CD1 3.46Å; V220-F234 HydrophobicContact CG2-CD2 4.38Å; V220-F234 HydrophobicContact CG2-CE1 3.93Å; V220-F234 HydrophobicContact CG2-CG 3.68Å; I223-F234 HydrophobicContact CD1-CD2 4.28Å; I223-F234 HydrophobicContact CD1-CE2 3.8Å; F224-F234 HydrophobicContact CD2-CB 4.09Å; F224-F234 HydrophobicContact CE2-CB 3.58Å; F224-F234 AromaticContact CE2-CD2 3.81Å; F224-F234 HydrophobicContact CE2-CD2 3.81Å; F224-F234 HydrophobicContact CE2-CG 4.16Å; P230-F234 VanDerWaalsContact O-CB 3.24Å; P230-F234 WeakPolarHBondContact O-CB 3.47Å; P230-F234 PolarHBondContact O-N 3.36Å; L232-F234 VanDerWaalsContact C-N 3.32Å; L232-F234 PolarHBondContact O-N 2.84Å; F234-E236 PolarHBondContact O-N 3.33Å; F234-L238 HydrophobicContact CD2-CB 4.49Å; F234-L238 HydrophobicContact CE1-CD2 4.06Å; F234-L238 HydrophobicContact CE2-CB 4.42Å; F234-L238 HydrophobicContact CE2-CD2 3.99Å; F234-L238 HydrophobicContact CZ-CD2 3.63Å; F234-L238 WeakPolarHBondContact O-CB 3.27Å; F234-L238 PolarHBondContact O-N 2.96Å; F234-M256 HydrophobicContact CE1-SD 4.3Å; F234-M256 HydrophobicContact CZ-SD 4.45Å
235	R	83.2	Confident	78.2	Confident	120 Å²	120	54.6 Å²	54.6	45%	0.453	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-47.8	178.4	-79	169.1	172	-143.2	1.3	112	T211 W216 D231 L232 S239 A252	T211-R235 VanDerWaalsContact CB-NH2 3.32Å; T211-R235 VanDerWaalsContact OG1-CZ 3.32Å; T211-R235 PolarHBondContact OG1-NE 3.44Å; T211-R235 VanDerWaalsContact OG1-NE 3.12Å; T211-R235 PolarHBondContact OG1-NH2 3.08Å; W216-R235 HydrophobicContact CH2-CG 3.57Å; W216-R235 HydrophobicContact CZ2-CG 3.67Å; D231-R235 VanDerWaalsContact O-CG 3.28Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.97Å; D231-R235 VanDerWaalsContact O-N 3.1Å; L232-R235 WeakPolarHBondContact O-CB 3.49Å; L232-R235 PolarHBondContact O-N 3.5Å; L232-R235 VanDerWaalsContact O-N 3.16Å; R235-S239 WeakPolarHBondContact O-CB 3.45Å; R235-S239 PolarHBondContact O-N 3Å; R235-A252 HydrophobicContact CB-CB 4.37Å; R235-A252 HydrophobicContact CG-CB 4.24Å
236	E	84.3	Confident	78.4	Confident	106 Å²	106	54.6 Å²	54.6	50%	0.495	30%	0.299	S	S	.	.	H	α-helix	trans	-69.1	-55.5	-178.4	-173.2	171.5	-170.9	0	0	111.1	L232 F234 L238 S239 D240	L232-E236 PolarHBondContact O-N 2.69Å; L232-E236 VanDerWaalsContact O-N 3.12Å; F234-E236 PolarHBondContact O-N 3.33Å; E236-L238 PolarHBondContact O-N 3.46Å; E236-S239 PolarHBondContact O-N 3.31Å; E236-D240 WeakPolarHBondContact O-CB 3.39Å; E236-D240 PolarHBondContact O-N 3.21Å
237	L	84	Confident	78.6	Confident	12 Å²	12	53.7 Å²	53.7	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-37	-174.5	-65.6	177.3	0	0	0	113.3	T108 F112 L116 F224 L233 S241	T108-L237 HydrophobicContact CG2-CD1 4.3Å; T108-L237 HydrophobicContact CG2-CD2 3.88Å; F112-L237 HydrophobicContact CE1-CB 4.14Å; F112-L237 HydrophobicContact CE1-CD1 3.78Å; F112-L237 HydrophobicContact CE1-CG 4.46Å; F112-L237 HydrophobicContact CZ-CD1 4.16Å; L116-L237 HydrophobicContact CD2-CB 4.13Å; F224-L237 HydrophobicContact CE1-CD1 3.6Å; F224-L237 HydrophobicContact CZ-CB 4.49Å; F224-L237 HydrophobicContact CZ-CD1 3.6Å; L233-L237 HydrophobicContact CD1-CD1 3.79Å; L233-L237 HydrophobicContact CD1-CG 4.19Å; L233-L237 HydrophobicContact CD2-CD1 4.23Å; L233-L237 HydrophobicContact CG-CD1 3.63Å; L233-L237 HydrophobicContact CG-CG 4.29Å; L233-L237 VanDerWaalsContact O-CB 3.32Å; L233-L237 WeakPolarHBondContact O-CB 3.24Å; L233-L237 VanDerWaalsContact O-CG 3.25Å; L233-L237 WeakPolarHBondContact O-CG 3.36Å; L233-L237 PolarHBondContact O-N 2.72Å; L237-S241 VanDerWaalsContact O-CB 3.29Å; L237-S241 WeakPolarHBondContact O-CB 3.32Å; L237-S241 PolarHBondContact O-N 2.69Å; L237-S241 PolarHBondContact O-OG 2.99Å
238	L	84.4	Confident	78.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-45.4	177.4	-175.3	66.7	0	0	0	111.1	L116 F234 E236 S241 Y242 A252 I255	L116-L238 HydrophobicContact CD1-CD1 4.33Å; L116-L238 HydrophobicContact CD2-CB 4.12Å; L116-L238 HydrophobicContact CD2-CD1 4.11Å; L116-L238 HydrophobicContact CG-CD1 3.79Å; F234-L238 HydrophobicContact CD2-CB 4.49Å; F234-L238 HydrophobicContact CE1-CD2 4.06Å; F234-L238 HydrophobicContact CE2-CB 4.42Å; F234-L238 HydrophobicContact CE2-CD2 3.99Å; F234-L238 HydrophobicContact CZ-CD2 3.63Å; F234-L238 WeakPolarHBondContact O-CB 3.27Å; F234-L238 PolarHBondContact O-N 2.96Å; E236-L238 PolarHBondContact O-N 3.46Å; L238-S241 PolarHBondContact O-N 2.69Å; L238-Y242 HydrophobicContact CD1-CD2 3.94Å; L238-Y242 HydrophobicContact CD1-CE2 3.83Å; L238-Y242 HydrophobicContact CG-CD2 4.31Å; L238-Y242 HydrophobicContact CG-CE2 4.49Å; L238-Y242 WeakPolarHBondContact O-CD2 3.48Å; L238-Y242 PolarHBondContact O-N 3.39Å; L238-A252 HydrophobicContact CB-CB 4.21Å; L238-A252 HydrophobicContact CD2-CB 3.86Å; L238-A252 HydrophobicContact CG-CB 4.43Å; L238-I255 HydrophobicContact CD1-CG2 4.45Å; L238-I255 HydrophobicContact CD2-CB 4.28Å; L238-I255 HydrophobicContact CD2-CG2 3.96Å; L238-I255 HydrophobicContact CG-CD1 4.25Å; L238-I255 HydrophobicContact CG-CG2 4.25Å
239	S	84.3	Confident	78.9	Confident	29 Å²	29	50.2 Å²	50.2	20%	0.203	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-48.4	177.3	177.1	0	0	0	0	111.1	R235 E236 S241 Y242 S243 Q250	R235-S239 WeakPolarHBondContact O-CB 3.45Å; R235-S239 PolarHBondContact O-N 3Å; E236-S239 PolarHBondContact O-N 3.31Å; S239-S241 PolarHBondContact O-N 3.21Å; S239-Y242 PolarHBondContact O-N 2.89Å; S239-S243 WeakPolarHBondContact O-CB 3.48Å; S239-S243 PolarHBondContact O-N 3.47Å; S239-Q250 PolarHBondContact OG-O 3.49Å
240	D	83.9	Confident	79	Confident	56 Å²	56	46.6 Å²	46.6	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-40.1	-178.8	-74.5	-2.4	0	0	0	112.1	S102 E236 S243 Y244	S102-D240 WeakPolarHBondContact OG-CB 3.49Å; E236-D240 WeakPolarHBondContact O-CB 3.39Å; E236-D240 PolarHBondContact O-N 3.21Å; D240-S243 PolarHBondContact O-N 3.08Å; D240-Y244 VanDerWaalsContact O-CB 3.29Å; D240-Y244 WeakPolarHBondContact O-CB 3.45Å; D240-Y244 PolarHBondContact O-N 3.04Å
241	S	82.4	Confident	79.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-51.1	175.3	-59.1	0	0	0	0	110.5	G113 L237 L238 S239 S243 Y244 F245	G113-S241 VanDerWaalsContact CA-OG 3.25Å; G113-S241 WeakPolarHBondContact CA-OG 3.34Å; L237-S241 VanDerWaalsContact O-CB 3.29Å; L237-S241 WeakPolarHBondContact O-CB 3.32Å; L237-S241 PolarHBondContact O-N 2.69Å; L237-S241 PolarHBondContact O-OG 2.99Å; L238-S241 PolarHBondContact O-N 2.69Å; S239-S241 PolarHBondContact O-N 3.21Å; S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 3.35Å; S241-Y244 PolarHBondContact O-N 2.74Å; S241-F245 WeakPolarHBondContact O-CD2 3.32Å; S241-F245 PolarHBondContact O-N 3.21Å
242	Y	80.3	Confident	79.5	Confident	9 Å²	9	45 Å²	45	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-41.7	177.9	-95.7	-103.6	0	0	0	112.5	I117 S120 L238 S239 Y244 Y246 I255 N259 V376	I117-Y242 HydrophobicContact CB-CE2 4.41Å; I117-Y242 HydrophobicContact CD1-CD2 4.45Å; I117-Y242 HydrophobicContact CG1-CD2 3.83Å; I117-Y242 HydrophobicContact CG1-CE2 3.78Å; I117-Y242 HydrophobicContact CG2-CE2 4.46Å; S120-Y242 WeakPolarHBondContact OG-CE2 3.46Å; S120-Y242 PolarHBondContact OG-OH 2.68Å; L238-Y242 HydrophobicContact CD1-CD2 3.94Å; L238-Y242 HydrophobicContact CD1-CE2 3.83Å; L238-Y242 HydrophobicContact CG-CD2 4.31Å; L238-Y242 HydrophobicContact CG-CE2 4.49Å; L238-Y242 WeakPolarHBondContact O-CD2 3.48Å; L238-Y242 PolarHBondContact O-N 3.39Å; S239-Y242 PolarHBondContact O-N 2.89Å; Y242-Y244 VanDerWaalsContact C-N 3.34Å; Y242-Y244 PolarHBondContact O-N 3.21Å; Y242-Y246 AromaticContact CD1-CD2 3.57Å; Y242-Y246 HydrophobicContact CD1-CD2 3.57Å; Y242-Y246 AromaticContact CD1-CE2 3.99Å; Y242-Y246 HydrophobicContact CD1-CE2 3.99Å; Y242-Y246 AromaticContact CE1-CD2 3.92Å; Y242-Y246 HydrophobicContact CE1-CD2 3.92Å; Y242-Y246 AromaticContact CE1-CE2 3.9Å; Y242-Y246 HydrophobicContact CE1-CE2 3.9Å; Y242-Y246 HydrophobicContact CG-CD2 4.11Å; Y242-Y246 HydrophobicContact CG-CE2 4.49Å; Y242-Y246 WeakPolarHBondContact O-CA 3.23Å; Y242-Y246 WeakPolarHBondContact O-CB 3.47Å; Y242-Y246 PolarHBondContact O-N 2.85Å; Y242-I255 HydrophobicContact CD1-CD1 4.01Å; Y242-I255 HydrophobicContact CD1-CG1 4.02Å; Y242-I255 HydrophobicContact CD1-CG2 4.23Å; Y242-I255 HydrophobicContact CD2-CD1 3.71Å; Y242-I255 HydrophobicContact CD2-CG1 4.33Å; Y242-I255 HydrophobicContact CD2-CG2 3.85Å; Y242-I255 HydrophobicContact CE1-CG1 4.32Å; Y242-I255 HydrophobicContact CE1-CG2 3.79Å; Y242-I255 HydrophobicContact CE2-CD1 4.38Å; Y242-I255 HydrophobicContact CE2-CG2 3.36Å; Y242-I255 HydrophobicContact CG-CD1 3.5Å; Y242-I255 HydrophobicContact CG-CG1 4.03Å; Y242-I255 HydrophobicContact CG-CG2 4.26Å; Y242-N259 PolarHBondContact OH-ND2 3Å; Y242-N259 PolarHBondContact OH-OD1 3.05Å; Y242-V376 HydrophobicContact CE1-CB 4.48Å; Y242-V376 HydrophobicContact CE1-CG2 3.74Å
243	S	82.3	Confident	79.7	Confident	50 Å²	50	40.6 Å²	40.6	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-62.8	-41.4	176.9	-171.4	0	0	0	0	111.7	S239 D240 S241 G247	S239-S243 WeakPolarHBondContact O-CB 3.48Å; S239-S243 PolarHBondContact O-N 3.47Å; D240-S243 PolarHBondContact O-N 3.08Å; S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 3.35Å; S243-G247 VanDerWaalsContact O-CA 3.31Å; S243-G247 WeakPolarHBondContact O-CA 3.09Å; S243-G247 PolarHBondContact O-N 3.33Å; S243-G247 VanDerWaalsContact O-N 3.07Å
244	Y	81	Confident	80	Confident	37 Å²	37	42.1 Å²	42.1	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-41.7	-178.7	-177	-97.9	0	0	0	113.2	P100 V103 D240 S241 Y242 T366 K370	P100-Y244 VanDerWaalsContact CD-CD2 3.41Å; P100-Y244 VanDerWaalsContact CD-CE2 3.46Å; P100-Y244 HydrophobicContact CG-CD2 3.36Å; P100-Y244 HydrophobicContact CG-CE2 3.98Å; P100-Y244 HydrophobicContact CG-CG 3.95Å; V103-Y244 HydrophobicContact CG1-CD1 4.3Å; V103-Y244 HydrophobicContact CG2-CD1 4.34Å; V103-Y244 HydrophobicContact CG2-CE1 4.34Å; V103-Y244 HydrophobicContact CG2-CG 4.49Å; D240-Y244 VanDerWaalsContact O-CB 3.29Å; D240-Y244 WeakPolarHBondContact O-CB 3.45Å; D240-Y244 PolarHBondContact O-N 3.04Å; S241-Y244 PolarHBondContact O-N 2.74Å; Y242-Y244 VanDerWaalsContact C-N 3.34Å; Y242-Y244 PolarHBondContact O-N 3.21Å; Y244-T366 HydrophobicContact CD1-CG2 4.36Å; Y244-T366 HydrophobicContact CE1-CG2 3.45Å; Y244-T366 VanDerWaalsContact CE1-CG2 3.45Å; Y244-K370 HydrophobicContact CD1-CD 4.2Å; Y244-K370 HydrophobicContact CD2-CD 4.43Å; Y244-K370 HydrophobicContact CE1-CB 3.97Å; Y244-K370 HydrophobicContact CE1-CD 3.66Å; Y244-K370 HydrophobicContact CE1-CG 4.28Å; Y244-K370 HydrophobicContact CE2-CD 3.98Å; Y244-K370 WeakPolarHBondContact O-CE 3.47Å
245	F	78.3	Confident	80	Confident	7 Å²	7	42.1 Å²	42.1	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-88.6	-29.7	-175.2	-71.9	-69.5	0	0	0	114.1	V103 A114 I117 S241 T366 A369 K370	V103-F245 HydrophobicContact CG1-CE2 3.55Å; V103-F245 HydrophobicContact CG1-CZ 3.79Å; A114-F245 HydrophobicContact CB-CE2 4.48Å; A114-F245 HydrophobicContact CB-CZ 4.16Å; I117-F245 HydrophobicContact CD1-CB 3.66Å; I117-F245 HydrophobicContact CD1-CD2 3.23Å; I117-F245 HydrophobicContact CD1-CE2 4.1Å; I117-F245 HydrophobicContact CD1-CG 3.72Å; S241-F245 WeakPolarHBondContact O-CD2 3.32Å; S241-F245 PolarHBondContact O-N 3.21Å; F245-T366 HydrophobicContact CE1-CG2 4.28Å; F245-T366 HydrophobicContact CZ-CG2 4.02Å; F245-A369 HydrophobicContact CD1-CB 4.17Å; F245-A369 HydrophobicContact CE1-CB 3.55Å; F245-A369 HydrophobicContact CZ-CB 4.39Å; F245-K370 HydrophobicContact CD1-CB 4.19Å; F245-K370 HydrophobicContact CE1-CB 4.39Å
246	Y	74.5	Confident	80.1	Confident	35 Å²	35	36.4 Å²	36.4	14%	0.137	22%	0.224	C	C	.	.	H	α-helix	trans	-120.2	-4.5	-174.4	-56.7	-55.8	0	0	0	114.6	I117 Y242 A248 A374 V376 I384	I117-Y246 HydrophobicContact CD1-CD2 4.34Å; I117-Y246 HydrophobicContact CD1-CE2 3.79Å; I117-Y246 HydrophobicContact CG1-CE2 4.32Å; I117-Y246 HydrophobicContact CG2-CE2 3.65Å; I117-Y246 VanDerWaalsContact CG2-OH 3.24Å; I117-Y246 WeakPolarHBondContact CG2-OH 3.2Å; Y242-Y246 AromaticContact CD1-CD2 3.57Å; Y242-Y246 HydrophobicContact CD1-CD2 3.57Å; Y242-Y246 AromaticContact CD1-CE2 3.99Å; Y242-Y246 HydrophobicContact CD1-CE2 3.99Å; Y242-Y246 AromaticContact CE1-CD2 3.92Å; Y242-Y246 HydrophobicContact CE1-CD2 3.92Å; Y242-Y246 AromaticContact CE1-CE2 3.9Å; Y242-Y246 HydrophobicContact CE1-CE2 3.9Å; Y242-Y246 HydrophobicContact CG-CD2 4.11Å; Y242-Y246 HydrophobicContact CG-CE2 4.49Å; Y242-Y246 WeakPolarHBondContact O-CA 3.23Å; Y242-Y246 WeakPolarHBondContact O-CB 3.47Å; Y242-Y246 PolarHBondContact O-N 2.85Å; Y246-A248 PolarHBondContact O-N 2.98Å; Y246-A374 WeakPolarHBondContact CD1-O 3.41Å; Y246-A374 WeakPolarHBondContact CE1-O 3.38Å; Y246-V376 HydrophobicContact CD2-CG2 4.25Å; Y246-V376 HydrophobicContact CE1-CG2 4.48Å; Y246-V376 HydrophobicContact CE2-CG2 3.54Å; Y246-I384 WeakPolarHBondContact OH-CG2 3.47Å
247	G	69.3	Low	80.3	Confident	68 Å²	68	33.3 Å²	33.3	70%	0.701	21%	0.208	S	C	*	.	S	Bend	trans	68.8	3.2	175.9	0	0	0	0	0	115.5	S243	S243-G247 VanDerWaalsContact O-CA 3.31Å; S243-G247 WeakPolarHBondContact O-CA 3.09Å; S243-G247 PolarHBondContact O-N 3.33Å; S243-G247 VanDerWaalsContact O-N 3.07Å
248	A	65	Low	80.3	Confident	47 Å²	47	33.3 Å²	33.3	39%	0.388	21%	0.207	S	C	.	.			trans	-110.9	111.4	177.3	0	0	0	0	0	109.9	Y246 Q250	Y246-A248 PolarHBondContact O-N 2.98Å; A248-Q250 PolarHBondContact O-N 3.45Å
249	S	67.7	Low	80.3	Confident	100 Å²	100	33.3 Å²	33.3	70%	0.699	21%	0.207	S	C	*	.			trans	-71	107.9	172.8	60.9	0	0	0	0	109.5
250	Q	74.7	Confident	80.3	Confident	50 Å²	50	32 Å²	32	23%	0.234	20%	0.198	C	C	.	.			trans	-121.5	144.7	171.9	-66.2	-171.7	15.5	0	0	108.8	S239 A248 Q254 I255	S239-Q250 PolarHBondContact OG-O 3.49Å; A248-Q250 PolarHBondContact O-N 3.45Å; Q250-Q254 HydrophobicContact CB-CB 4.39Å; Q250-I255 HydrophobicContact CB-CD1 4.05Å; Q250-I255 HydrophobicContact CB-CG1 3.64Å; Q250-I255 WeakPolarHBondContact O-CD1 3.33Å
251	S	83.8	Confident	80.4	Confident	48 Å²	48	29.3 Å²	29.3	34%	0.336	18%	0.183	S	C	.	.			trans	-63.9	147.6	172	67	0	0	0	0	110.2	S253 Q254 I255	S251-S253 PolarHBondContact O-N 3.48Å; S251-S253 VanDerWaalsContact O-N 3.08Å; S251-S253 PolarHBondContact OG-OG 2.84Å; S251-Q254 WeakPolarHBondContact O-CB 3.01Å; S251-Q254 PolarHBondContact O-N 3.47Å; S251-Q254 VanDerWaalsContact OG-CD 3.29Å; S251-Q254 VanDerWaalsContact OG-CG 3.27Å; S251-Q254 WeakPolarHBondContact OG-CG 3.45Å; S251-Q254 PolarHBondContact OG-N 3.08Å; S251-Q254 PolarHBondContact OG-OE1 3.37Å; S251-I255 PolarHBondContact O-N 2.95Å
252	A	82.3	Confident	80.4	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-52.1	-34.6	176.6	0	0	0	0	0	113.1	W216 R235 L238 I255 M256	W216-A252 HydrophobicContact CH2-CB 3.78Å; W216-A252 HydrophobicContact CZ3-CB 4.09Å; R235-A252 HydrophobicContact CB-CB 4.37Å; R235-A252 HydrophobicContact CG-CB 4.24Å; L238-A252 HydrophobicContact CB-CB 4.21Å; L238-A252 HydrophobicContact CD2-CB 3.86Å; L238-A252 HydrophobicContact CG-CB 4.43Å; A252-I255 PolarHBondContact O-N 2.96Å; A252-M256 VanDerWaalsContact O-CB 3.24Å; A252-M256 WeakPolarHBondContact O-CB 3.44Å; A252-M256 PolarHBondContact O-N 3.27Å
253	S	84.7	Confident	80.5	Confident	23 Å²	23	29.3 Å²	29.3	16%	0.161	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-41.2	174.6	68.8	0	0	0	0	113.4	N210 S251 M256 R257	N210-S253 WeakPolarHBondContact OD1-CB 3.36Å; S251-S253 PolarHBondContact O-N 3.48Å; S251-S253 VanDerWaalsContact O-N 3.08Å; S251-S253 PolarHBondContact OG-OG 2.84Å; S253-M256 PolarHBondContact O-N 2.94Å; S253-R257 VanDerWaalsContact O-CB 3.28Å; S253-R257 WeakPolarHBondContact O-CB 3.38Å; S253-R257 PolarHBondContact O-N 2.92Å
254	Q	85.5	Confident	80.5	Confident	85 Å²	85	27.6 Å²	27.6	40%	0.397	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-43.4	176.4	-75.3	164.5	-40.1	0	0	110.9	Q250 S251 M256 R257 K258	Q250-Q254 HydrophobicContact CB-CB 4.39Å; S251-Q254 WeakPolarHBondContact O-CB 3.01Å; S251-Q254 PolarHBondContact O-N 3.47Å; S251-Q254 VanDerWaalsContact OG-CD 3.29Å; S251-Q254 VanDerWaalsContact OG-CG 3.27Å; S251-Q254 WeakPolarHBondContact OG-CG 3.45Å; S251-Q254 PolarHBondContact OG-N 3.08Å; S251-Q254 PolarHBondContact OG-OE1 3.37Å; Q254-M256 VanDerWaalsContact C-N 3.35Å; Q254-R257 PolarHBondContact O-N 2.78Å; Q254-K258 WeakPolarHBondContact O-CB 3.23Å; Q254-K258 PolarHBondContact O-N 3.41Å
255	I	83.7	Confident	80.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-49.3	175.7	-67.7	163.9	0	0	0	110	L238 Y242 Q250 S251 A252 K258 N259	L238-I255 HydrophobicContact CD1-CG2 4.45Å; L238-I255 HydrophobicContact CD2-CB 4.28Å; L238-I255 HydrophobicContact CD2-CG2 3.96Å; L238-I255 HydrophobicContact CG-CD1 4.25Å; L238-I255 HydrophobicContact CG-CG2 4.25Å; Y242-I255 HydrophobicContact CD1-CD1 4.01Å; Y242-I255 HydrophobicContact CD1-CG1 4.02Å; Y242-I255 HydrophobicContact CD1-CG2 4.23Å; Y242-I255 HydrophobicContact CD2-CD1 3.71Å; Y242-I255 HydrophobicContact CD2-CG1 4.33Å; Y242-I255 HydrophobicContact CD2-CG2 3.85Å; Y242-I255 HydrophobicContact CE1-CG1 4.32Å; Y242-I255 HydrophobicContact CE1-CG2 3.79Å; Y242-I255 HydrophobicContact CE2-CD1 4.38Å; Y242-I255 HydrophobicContact CE2-CG2 3.36Å; Y242-I255 HydrophobicContact CG-CD1 3.5Å; Y242-I255 HydrophobicContact CG-CG1 4.03Å; Y242-I255 HydrophobicContact CG-CG2 4.26Å; Q250-I255 HydrophobicContact CB-CD1 4.05Å; Q250-I255 HydrophobicContact CB-CG1 3.64Å; Q250-I255 WeakPolarHBondContact O-CD1 3.33Å; S251-I255 PolarHBondContact O-N 2.95Å; A252-I255 PolarHBondContact O-N 2.96Å; I255-K258 WeakPolarHBondContact O-CB 3.38Å; I255-K258 PolarHBondContact O-N 2.78Å; I255-N259 WeakPolarHBondContact O-CB 3.43Å; I255-N259 VanDerWaalsContact O-CG 3.26Å; I255-N259 PolarHBondContact O-N 2.81Å
256	M	85.6	Confident	80.5	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-45.7	-179.3	-174.4	157.1	-171.9	0	0	111.8	F123 T209 T215 W216 Y219 F234 A252 S253 Q254 K258 N259 V260	F123-M256 HydrophobicContact CD2-CE 4.32Å; F123-M256 HydrophobicContact CD2-CG 4.05Å; F123-M256 HydrophobicContact CD2-SD 4.4Å; T209-M256 HydrophobicContact CG2-CG 4.36Å; T215-M256 HydrophobicContact CG2-CE 3.51Å; T215-M256 WeakPolarHBondContact O-CE 3.36Å; W216-M256 HydrophobicContact CB-CE 4.43Å; W216-M256 HydrophobicContact CB-SD 4.38Å; W216-M256 HydrophobicContact CD2-SD 4.31Å; W216-M256 HydrophobicContact CE3-SD 3.51Å; W216-M256 VanDerWaalsContact CE3-SD 3.51Å; W216-M256 HydrophobicContact CZ3-SD 4.17Å; Y219-M256 HydrophobicContact CD2-CE 3.59Å; Y219-M256 HydrophobicContact CE2-CE 4.41Å; Y219-M256 HydrophobicContact CG-CE 4.39Å; F234-M256 HydrophobicContact CE1-SD 4.3Å; F234-M256 HydrophobicContact CZ-SD 4.45Å; A252-M256 VanDerWaalsContact O-CB 3.24Å; A252-M256 WeakPolarHBondContact O-CB 3.44Å; A252-M256 PolarHBondContact O-N 3.27Å; S253-M256 PolarHBondContact O-N 2.94Å; Q254-M256 VanDerWaalsContact C-N 3.35Å; M256-K258 VanDerWaalsContact C-N 3.34Å; M256-K258 PolarHBondContact O-N 3.36Å; M256-N259 PolarHBondContact O-N 3.3Å; M256-V260 HydrophobicContact CG-CG2 4.37Å; M256-V260 WeakPolarHBondContact O-CB 3.23Å; M256-V260 WeakPolarHBondContact O-CG2 3.12Å; M256-V260 PolarHBondContact O-N 2.97Å
257	R	88	Confident	80.5	Confident	41 Å²	41	30.9 Å²	30.9	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-43.8	176.2	-170.5	171.4	66.1	-132.2	-7.3	112.1	Y164 N206 T209 S253 Q254 T261	Y164-R257 HydrophobicContact CD2-CG 3.84Å; Y164-R257 HydrophobicContact CE2-CG 3.87Å; Y164-R257 HydrophobicContact CG-CG 4.27Å; N206-R257 PolarHBondContact OD1-NH1 3.39Å; T209-R257 HydrophobicContact CG2-CB 4.06Å; T209-R257 HydrophobicContact CG2-CG 4.35Å; S253-R257 VanDerWaalsContact O-CB 3.28Å; S253-R257 WeakPolarHBondContact O-CB 3.38Å; S253-R257 PolarHBondContact O-N 2.92Å; Q254-R257 PolarHBondContact O-N 2.78Å; R257-T261 WeakPolarHBondContact O-CB 3.46Å; R257-T261 PolarHBondContact O-N 2.79Å; R257-T261 PolarHBondContact O-OG1 3.01Å
258	K	84.7	Confident	80.6	Confident	12 Å²	12	27.6 Å²	27.6	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-52.7	175.8	173.7	179.7	171.4	168.3	0	111.1	S161 Q254 I255 M256 T261 I262 V376	S161-K258 VanDerWaalsContact O-CD 3.27Å; S161-K258 WeakPolarHBondContact O-CD 3.25Å; S161-K258 WeakPolarHBondContact O-CE 3.38Å; S161-K258 PolarHBondContact O-NZ 3.3Å; Q254-K258 WeakPolarHBondContact O-CB 3.23Å; Q254-K258 PolarHBondContact O-N 3.41Å; I255-K258 WeakPolarHBondContact O-CB 3.38Å; I255-K258 PolarHBondContact O-N 2.78Å; M256-K258 VanDerWaalsContact C-N 3.34Å; M256-K258 PolarHBondContact O-N 3.36Å; K258-T261 PolarHBondContact O-N 3.25Å; K258-I262 HydrophobicContact CG-CD1 3.83Å; K258-I262 WeakPolarHBondContact O-CG1 3.44Å; K258-I262 PolarHBondContact O-N 3.26Å; K258-V376 WeakPolarHBondContact CE-O 3.31Å; K258-V376 PolarHBondContact NZ-O 3.16Å
259	N	84.2	Confident	81	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-42	-177.7	-66.3	-14.7	0	0	0	112.2	S120 Y242 I255 M256 T261 I262 N263	S120-N259 WeakPolarHBondContact O-CB 3.49Å; S120-N259 PolarHBondContact O-ND2 3.15Å; S120-N259 PolarHBondContact OG-ND2 3.37Å; Y242-N259 PolarHBondContact OH-ND2 3Å; Y242-N259 PolarHBondContact OH-OD1 3.05Å; I255-N259 WeakPolarHBondContact O-CB 3.43Å; I255-N259 VanDerWaalsContact O-CG 3.26Å; I255-N259 PolarHBondContact O-N 2.81Å; M256-N259 PolarHBondContact O-N 3.3Å; N259-T261 VanDerWaalsContact C-N 3.28Å; N259-T261 PolarHBondContact O-N 2.74Å; N259-I262 PolarHBondContact O-N 2.97Å; N259-N263 WeakPolarHBondContact O-CB 3.4Å; N259-N263 PolarHBondContact O-N 2.71Å; N259-N263 PolarHBondContact O-ND2 3.23Å
260	V	85.1	Confident	81	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-40.5	174.8	173.2	0	0	0	0	111.1	F123 L205 T209 T215 M256 A264	F123-V260 HydrophobicContact CB-CG2 3.96Å; F123-V260 VanDerWaalsContact O-CA 3.27Å; F123-V260 WeakPolarHBondContact O-CA 3.22Å; L205-V260 HydrophobicContact CD1-CG1 3.65Å; T209-V260 HydrophobicContact CG2-CB 4.31Å; T209-V260 HydrophobicContact CG2-CG2 4.24Å; T215-V260 HydrophobicContact CG2-CG2 4.33Å; M256-V260 HydrophobicContact CG-CG2 4.37Å; M256-V260 WeakPolarHBondContact O-CB 3.23Å; M256-V260 WeakPolarHBondContact O-CG2 3.12Å; M256-V260 PolarHBondContact O-N 2.97Å; V260-A264 VanDerWaalsContact O-CB 3.23Å; V260-A264 WeakPolarHBondContact O-CB 3.31Å; V260-A264 PolarHBondContact O-N 2.97Å
261	T	86.3	Confident	80.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67	-46	176.4	-53.3	0	0	0	0	111.5	F134 P163 Y164 I167 R257 K258 N259 N263 A264 L265	F134-T261 HydrophobicContact CE2-CG2 4.45Å; F134-T261 HydrophobicContact CZ-CG2 3.93Å; P163-T261 HydrophobicContact CG-CG2 4.42Å; Y164-T261 WeakPolarHBondContact CD2-OG1 3.34Å; I167-T261 HydrophobicContact CD1-CG2 3.68Å; R257-T261 WeakPolarHBondContact O-CB 3.46Å; R257-T261 PolarHBondContact O-N 2.79Å; R257-T261 PolarHBondContact O-OG1 3.01Å; K258-T261 PolarHBondContact O-N 3.25Å; N259-T261 VanDerWaalsContact C-N 3.28Å; N259-T261 PolarHBondContact O-N 2.74Å; T261-N263 VanDerWaalsContact C-N 3.32Å; T261-N263 PolarHBondContact O-N 3.34Å; T261-A264 PolarHBondContact O-N 3.46Å; T261-L265 HydrophobicContact CG2-CD1 4.01Å; T261-L265 HydrophobicContact CG2-CG 4.46Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.04Å; T261-L265 PolarHBondContact O-N 2.96Å
262	I	82.3	Confident	79.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.7	-45.7	177	-74.2	172.1	0	0	0	110.5	P163 K258 N259 L265 K266 V376 L378 L381	P163-I262 HydrophobicContact CG-CD1 4.34Å; P163-I262 HydrophobicContact CG-CG1 3.56Å; K258-I262 HydrophobicContact CG-CD1 3.83Å; K258-I262 WeakPolarHBondContact O-CG1 3.44Å; K258-I262 PolarHBondContact O-N 3.26Å; N259-I262 PolarHBondContact O-N 2.97Å; I262-L265 PolarHBondContact O-N 2.63Å; I262-K266 WeakPolarHBondContact O-CB 3Å; I262-K266 PolarHBondContact O-N 3.08Å; I262-V376 HydrophobicContact CD1-CG1 4.21Å; I262-L378 HydrophobicContact CG2-CB 4.3Å; I262-L378 HydrophobicContact CG2-CD1 3.73Å; I262-L381 HydrophobicContact CG2-CD1 4.11Å; I262-L381 HydrophobicContact CG2-CD2 3.7Å; I262-L381 HydrophobicContact CG2-CG 4.41Å
263	N	81.2	Confident	78.1	Confident	9 Å²	9	26.8 Å²	26.8	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-69.7	-40.6	-179.8	-75.3	-34	0	0	0	112.9	T121 D122 F123 L124 N259 T261 L265 K266 E267	T121-N263 VanDerWaalsContact O-CG 3.3Å; T121-N263 PolarHBondContact O-ND2 3.08Å; T121-N263 PolarHBondContact O-OD1 3.3Å; T121-N263 VanDerWaalsContact O-OD1 3.09Å; D122-N263 VanDerWaalsContact C-ND2 3.31Å; D122-N263 WeakPolarHBondContact CA-ND2 3.39Å; F123-N263 PolarHBondContact N-ND2 3.12Å; F123-N263 PolarHBondContact O-ND2 2.96Å; L124-N263 HydrophobicContact CD2-CB 3.69Å; L124-N263 HydrophobicContact CG-CB 4.18Å; N259-N263 WeakPolarHBondContact O-CB 3.4Å; N259-N263 PolarHBondContact O-N 2.71Å; N259-N263 PolarHBondContact O-ND2 3.23Å; T261-N263 VanDerWaalsContact C-N 3.32Å; T261-N263 PolarHBondContact O-N 3.34Å; N263-L265 VanDerWaalsContact C-N 3.29Å; N263-L265 PolarHBondContact O-N 2.9Å; N263-K266 WeakPolarHBondContact O-CB 3.38Å; N263-K266 PolarHBondContact O-N 3.3Å; N263-E267 WeakPolarHBondContact O-CB 3.32Å; N263-E267 PolarHBondContact O-N 3.37Å
264	A	82.1	Confident	76.6	Confident	13 Å²	13	29.7 Å²	29.7	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-32.6	176.1	0	0	0	0	0	111.6	F134 V260 T261 G268	F134-A264 HydrophobicContact CD1-CB 3.26Å; F134-A264 HydrophobicContact CD2-CB 4.31Å; F134-A264 HydrophobicContact CE1-CB 3.31Å; F134-A264 HydrophobicContact CE2-CB 4.37Å; F134-A264 HydrophobicContact CG-CB 3.8Å; F134-A264 HydrophobicContact CZ-CB 3.9Å; V260-A264 VanDerWaalsContact O-CB 3.23Å; V260-A264 WeakPolarHBondContact O-CB 3.31Å; V260-A264 PolarHBondContact O-N 2.97Å; T261-A264 PolarHBondContact O-N 3.46Å; A264-G268 PolarHBondContact O-N 3.37Å
265	L	84.4	Confident	75.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.9	-46.7	169.1	-73.6	167.5	0	0	0	111.6	F134 V138 V142 L157 P163 I167 T261 I262 N263 E267 G268 I269	F134-L265 HydrophobicContact CE1-CD2 4.21Å; F134-L265 HydrophobicContact CE1-CG 4.1Å; F134-L265 HydrophobicContact CZ-CG 4.28Å; V138-L265 HydrophobicContact CG1-CD2 4.28Å; V138-L265 HydrophobicContact CG2-CD2 3.66Å; V142-L265 HydrophobicContact CG1-CD2 4.11Å; V142-L265 HydrophobicContact CG2-CD2 4.37Å; L157-L265 HydrophobicContact CD1-CD1 3.96Å; L157-L265 HydrophobicContact CD2-CD1 4.43Å; L157-L265 HydrophobicContact CD2-CD2 4.24Å; L157-L265 HydrophobicContact CG-CD1 4.4Å; P163-L265 HydrophobicContact CB-CD1 3.67Å; P163-L265 HydrophobicContact CG-CD1 4.22Å; I167-L265 HydrophobicContact CG2-CD1 4.28Å; I167-L265 HydrophobicContact CG2-CD2 4.06Å; T261-L265 HydrophobicContact CG2-CD1 4.01Å; T261-L265 HydrophobicContact CG2-CG 4.46Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 VanDerWaalsContact O-CG 3.25Å; T261-L265 WeakPolarHBondContact O-CG 3.04Å; T261-L265 PolarHBondContact O-N 2.96Å; I262-L265 PolarHBondContact O-N 2.63Å; N263-L265 VanDerWaalsContact C-N 3.29Å; N263-L265 PolarHBondContact O-N 2.9Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.36Å; L265-G268 PolarHBondContact O-N 2.59Å; L265-I269 HydrophobicContact CB-CD1 4.45Å; L265-I269 VanDerWaalsContact O-CB 3.31Å; L265-I269 WeakPolarHBondContact O-CB 3.39Å; L265-I269 WeakPolarHBondContact O-CD1 3.14Å; L265-I269 WeakPolarHBondContact O-CG1 3.03Å; L265-I269 PolarHBondContact O-N 3.1Å
266	K	75.6	Confident	73.9	Confident	75 Å²	75	40.6 Å²	40.6	33%	0.326	22%	0.219	S	C	.	.	H	α-helix	trans	-56.3	-48.4	175.7	-177.7	-179.1	173.8	-172.6	0	110.7	I262 N263 T270 L378 L381	I262-K266 WeakPolarHBondContact O-CB 3Å; I262-K266 PolarHBondContact O-N 3.08Å; N263-K266 WeakPolarHBondContact O-CB 3.38Å; N263-K266 PolarHBondContact O-N 3.3Å; K266-T270 HydrophobicContact CG-CG2 4.37Å; K266-T270 VanDerWaalsContact O-CB 3.25Å; K266-T270 WeakPolarHBondContact O-CB 3.46Å; K266-T270 WeakPolarHBondContact O-CG2 3.25Å; K266-T270 PolarHBondContact O-N 2.86Å; K266-T270 PolarHBondContact O-OG1 2.6Å; K266-L378 HydrophobicContact CB-CD1 3.93Å; K266-L381 HydrophobicContact CD-CD2 3.96Å
267	E	74.3	Confident	71.9	Confident	73 Å²	73	43.1 Å²	43.1	34%	0.341	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-43.8	177.9	-168.9	176.3	-171.2	0	0	111.8	Q135 N263 L265 T270 S271	Q135-E267 PolarHBondContact NE2-OE1 3.21Å; N263-E267 WeakPolarHBondContact O-CB 3.32Å; N263-E267 PolarHBondContact O-N 3.37Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.36Å; E267-T270 WeakPolarHBondContact CA-OG1 3.41Å; E267-T270 PolarHBondContact O-OG1 2.76Å; E267-S271 WeakPolarHBondContact O-CB 3.48Å; E267-S271 PolarHBondContact O-N 3.43Å; E267-S271 PolarHBondContact O-OG 3.5Å
268	G	71.1	Confident	69.8	Low	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-46.3	175.7	0	0	0	0	0	113.2	A264 L265 S271 N272	A264-G268 PolarHBondContact O-N 3.37Å; L265-G268 PolarHBondContact O-N 2.59Å; G268-S271 PolarHBondContact O-OG 3.31Å; G268-N272 PolarHBondContact O-N 3.09Å; G268-N272 VanDerWaalsContact O-N 3.15Å
269	I	73.1	Confident	67.9	Low	37 Å²	37	52.7 Å²	52.7	19%	0.19	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-46.9	178.6	-65.5	164.5	0	0	0	110.5	V138 L143 L154 L157 L265 N272 A273 L378	V138-I269 HydrophobicContact CG1-CG1 4.2Å; L143-I269 HydrophobicContact CD2-CG1 4.16Å; L154-I269 HydrophobicContact CD1-CD1 4.27Å; L157-I269 HydrophobicContact CD2-CD1 4.46Å; L265-I269 HydrophobicContact CB-CD1 4.45Å; L265-I269 VanDerWaalsContact O-CB 3.31Å; L265-I269 WeakPolarHBondContact O-CB 3.39Å; L265-I269 WeakPolarHBondContact O-CD1 3.14Å; L265-I269 WeakPolarHBondContact O-CG1 3.03Å; L265-I269 PolarHBondContact O-N 3.1Å; I269-N272 PolarHBondContact O-N 2.73Å; I269-A273 PolarHBondContact O-N 2.91Å; I269-L378 HydrophobicContact CD1-CD2 4.09Å
270	T	68.6	Low	66.2	Low	74 Å²	74	56.5 Å²	56.5	45%	0.454	34%	0.336	S	S	.	.	H	α-helix	trans	-67.5	-35.5	179.1	54	0	0	0	0	112.1	K266 E267 N272 A273 A274	K266-T270 HydrophobicContact CG-CG2 4.37Å; K266-T270 VanDerWaalsContact O-CB 3.25Å; K266-T270 WeakPolarHBondContact O-CB 3.46Å; K266-T270 WeakPolarHBondContact O-CG2 3.25Å; K266-T270 PolarHBondContact O-N 2.86Å; K266-T270 PolarHBondContact O-OG1 2.6Å; E267-T270 WeakPolarHBondContact CA-OG1 3.41Å; E267-T270 PolarHBondContact O-OG1 2.76Å; T270-N272 VanDerWaalsContact C-N 3.3Å; T270-N272 PolarHBondContact O-N 3.1Å; T270-A273 PolarHBondContact O-N 3.35Å; T270-A274 VanDerWaalsContact O-CB 3.23Å; T270-A274 WeakPolarHBondContact O-CB 3.14Å; T270-A274 PolarHBondContact O-N 2.86Å
271	S	65.3	Low	64.3	Low	31 Å²	31	61.4 Å²	61.4	22%	0.217	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-35.7	172.8	77.7	0	0	0	0	112.1	Q139 E267 G268 R275	Q139-S271 PolarHBondContact NE2-OG 2.89Å; E267-S271 WeakPolarHBondContact O-CB 3.48Å; E267-S271 PolarHBondContact O-N 3.43Å; E267-S271 PolarHBondContact O-OG 3.5Å; G268-S271 PolarHBondContact O-OG 3.31Å; S271-R275 WeakPolarHBondContact O-CB 3.17Å; S271-R275 WeakPolarHBondContact O-CG 3.16Å; S271-R275 PolarHBondContact O-N 2.82Å
272	N	60.8	Low	62.1	Low	34 Å²	34	67.1 Å²	67.1	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-73	-38.3	175	-165.6	62.5	0	0	0	111.9	Q139 L143 G268 I269 T270 R275 N276	Q139-N272 HydrophobicContact CG-CB 4.45Å; L143-N272 HydrophobicContact CD1-CB 3.54Å; L143-N272 VanDerWaalsContact CD1-CG 3.49Å; L143-N272 VanDerWaalsContact CD1-ND2 3.27Å; L143-N272 WeakPolarHBondContact CD1-ND2 3.48Å; G268-N272 PolarHBondContact O-N 3.09Å; G268-N272 VanDerWaalsContact O-N 3.15Å; I269-N272 PolarHBondContact O-N 2.73Å; T270-N272 VanDerWaalsContact C-N 3.3Å; T270-N272 PolarHBondContact O-N 3.1Å; N272-R275 PolarHBondContact O-N 2.77Å; N272-N276 PolarHBondContact ND2-ND2 3.36Å; N272-N276 WeakPolarHBondContact O-CB 3.5Å; N272-N276 PolarHBondContact O-N 3.17Å; N272-N276 PolarHBondContact O-ND2 2.85Å
273	A	54	Low	60.3	Low	55 Å²	55	73.8 Å²	73.8	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-67.8	-39.1	174.5	0	0	0	0	0	112.2	I269 T270 R275 N276 G277	I269-A273 PolarHBondContact O-N 2.91Å; T270-A273 PolarHBondContact O-N 3.35Å; A273-R275 VanDerWaalsContact C-N 3.33Å; A273-R275 PolarHBondContact O-N 3.28Å; A273-N276 CarbonylContact O-C 3.34Å; A273-N276 PolarHBondContact O-N 3.49Å; A273-N276 VanDerWaalsContact O-N 3.13Å; A273-G277 PolarHBondContact O-N 2.69Å
274	A	53.6	Low	58.6	Low	83 Å²	83	77.2 Å²	77.2	69%	0.686	47%	0.465	S	S	*	.	H	α-helix	trans	-65.5	-35.1	174.2	0	0	0	0	0	112	T270	T270-A274 VanDerWaalsContact O-CB 3.23Å; T270-A274 WeakPolarHBondContact O-CB 3.14Å; T270-A274 PolarHBondContact O-N 2.86Å
275	R	56.4	Low	56.8	Low	196 Å²	196	81 Å²	81	74%	0.74	48%	0.483	S	S	*	.	H	α-helix	trans	-69.8	-30.1	170.2	-80.4	-177.1	172.8	-141.8	1.1	113.4	S271 N272 A273 G277	S271-R275 WeakPolarHBondContact O-CB 3.17Å; S271-R275 WeakPolarHBondContact O-CG 3.16Å; S271-R275 PolarHBondContact O-N 2.82Å; N272-R275 PolarHBondContact O-N 2.77Å; A273-R275 VanDerWaalsContact C-N 3.33Å; A273-R275 PolarHBondContact O-N 3.28Å; R275-G277 VanDerWaalsContact C-N 3.32Å
276	N	55.6	Low	54.7	Low	118 Å²	118	85.1 Å²	85.1	63%	0.631	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.5	-179.4	-68.6	-17.7	0	0	0	114.2	N272 A273 D278	N272-N276 PolarHBondContact ND2-ND2 3.36Å; N272-N276 WeakPolarHBondContact O-CB 3.5Å; N272-N276 PolarHBondContact O-N 3.17Å; N272-N276 PolarHBondContact O-ND2 2.85Å; A273-N276 CarbonylContact O-C 3.34Å; A273-N276 PolarHBondContact O-N 3.49Å; A273-N276 VanDerWaalsContact O-N 3.13Å; N276-D278 PolarHBondContact O-N 2.81Å
277	G	42.4	Very low	53.2	Low	54 Å²	54	86.5 Å²	86.5	56%	0.557	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	33.6	152.8	0	0	0	0	0	117.2	A273 R275	A273-G277 PolarHBondContact O-N 2.69Å; R275-G277 VanDerWaalsContact C-N 3.32Å
278	D	44.8	Very low	52.3	Low	141 Å²	141	85.6 Å²	85.6	75%	0.754	53%	0.531	S	S	*	.			trans	-104.2	76.4	177.5	-146.7	-8	0	0	0	112.4	N276 A280	N276-D278 PolarHBondContact O-N 2.81Å; D278-A280 PolarHBondContact O-N 3.38Å; D278-A280 VanDerWaalsContact OD1-CB 3.31Å; D278-A280 WeakPolarHBondContact OD1-CB 3.16Å
279	T	45.1	Very low	51.4	Low	113 Å²	113	86.3 Å²	86.3	69%	0.693	54%	0.536	S	S	*	.			trans	-75.8	30.3	176	47.6	0	0	0	0	113	S281	T279-S281 VanDerWaalsContact C-N 3.28Å; T279-S281 PolarHBondContact O-N 3.03Å
280	A	47.2	Very low	50.3	Low	80 Å²	80	88.1 Å²	88.1	66%	0.661	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	2.5	-170	0	0	0	0	0	115.6	D278	D278-A280 PolarHBondContact O-N 3.38Å; D278-A280 VanDerWaalsContact OD1-CB 3.31Å; D278-A280 WeakPolarHBondContact OD1-CB 3.16Å
281	S	45.4	Very low	49.8	Very low	103 Å²	103	90.1 Å²	90.1	72%	0.72	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	9.2	-177.7	95.1	0	0	0	0	115.4	T279 V283	T279-S281 VanDerWaalsContact C-N 3.28Å; T279-S281 PolarHBondContact O-N 3.03Å; S281-V283 VanDerWaalsContact C-N 3.29Å; S281-V283 PolarHBondContact O-N 2.83Å
282	L	41.8	Very low	49.7	Very low	120 Å²	120	91.3 Å²	91.3	63%	0.628	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-3	-170.5	-80.9	165.1	0	0	0	115.9
283	V	43.1	Very low	49.6	Very low	141 Å²	141	92.5 Å²	92.5	86%	0.855	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-16.4	-172.1	-176.8	0	0	0	0	114.4	S281 L285	S281-V283 VanDerWaalsContact C-N 3.29Å; S281-V283 PolarHBondContact O-N 2.83Å; V283-L285 PolarHBondContact O-N 3.05Å
284	S	46.1	Very low	50	Low	81 Å²	81	95.6 Å²	95.6	57%	0.566	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-0.6	170.2	97.8	0	0	0	0	113.1	A286 T288	S284-A286 VanDerWaalsContact C-N 3.35Å; S284-A286 PolarHBondContact O-N 2.95Å; S284-T288 WeakPolarHBondContact O-CB 3.03Å; S284-T288 PolarHBondContact O-N 3.31Å; S284-T288 PolarHBondContact O-OG1 2.9Å; S284-T288 PolarHBondContact OG-OG1 2.73Å
285	L	44	Very low	50.4	Low	93 Å²	93	94 Å²	94	49%	0.487	55%	0.545	S	S	.	.	H	α-helix	trans	-68.9	-23.5	-161.9	-168.8	61.4	0	0	0	114.1	V283 S289	V283-L285 PolarHBondContact O-N 3.05Å; L285-S289 WeakPolarHBondContact O-CA 3.09Å; L285-S289 WeakPolarHBondContact O-CB 3.04Å; L285-S289 PolarHBondContact O-N 2.75Å
286	A	39.8	Very low	50.8	Low	85 Å²	85	87.5 Å²	87.5	70%	0.702	52%	0.524	S	S	*	.	H	α-helix	trans	-75.6	-48.4	-174	0	0	0	0	0	114.1	S284 S290	S284-A286 VanDerWaalsContact C-N 3.35Å; S284-A286 PolarHBondContact O-N 2.95Å; A286-S290 PolarHBondContact O-N 3.22Å
287	T	45.3	Very low	51.1	Low	105 Å²	105	82.4 Å²	82.4	64%	0.644	50%	0.499	S	S	*	.	H	α-helix	trans	-75.4	-37.4	176.6	-52.7	0	0	0	0	111	S289 S290 M291	T287-S289 VanDerWaalsContact C-N 3.34Å; T287-S290 PolarHBondContact O-N 2.77Å; T287-M291 HydrophobicContact CG2-CE 4.45Å; T287-M291 PolarHBondContact O-N 3.32Å
288	T	54	Low	52.2	Low	53 Å²	53	82.6 Å²	82.6	33%	0.325	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-39.7	173.7	-53.5	0	0	0	0	110.8	S284 S290 M291 E292	S284-T288 WeakPolarHBondContact O-CB 3.03Å; S284-T288 PolarHBondContact O-N 3.31Å; S284-T288 PolarHBondContact O-OG1 2.9Å; S284-T288 PolarHBondContact OG-OG1 2.73Å; T288-S290 PolarHBondContact O-N 2.98Å; T288-M291 PolarHBondContact O-N 3.32Å; T288-E292 HydrophobicContact CG2-CG 3.91Å; T288-E292 VanDerWaalsContact O-CB 3.27Å; T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 VanDerWaalsContact O-CG 3.24Å; T288-E292 WeakPolarHBondContact O-CG 3.14Å; T288-E292 PolarHBondContact O-N 3.48Å
289	S	53.7	Low	53.1	Low	15 Å²	15	76.6 Å²	76.6	11%	0.105	45%	0.453	C	S	.	.	H	α-helix	trans	-59.3	-45.5	177.1	166.8	0	0	0	0	112.6	L285 T287 M291 E292 K293 V440	L285-S289 WeakPolarHBondContact O-CA 3.09Å; L285-S289 WeakPolarHBondContact O-CB 3.04Å; L285-S289 PolarHBondContact O-N 2.75Å; T287-S289 VanDerWaalsContact C-N 3.34Å; S289-M291 PolarHBondContact O-N 3.14Å; S289-E292 PolarHBondContact O-N 2.71Å; S289-K293 WeakPolarHBondContact O-CB 3.45Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 3.2Å; S289-K293 PolarHBondContact O-N 3.44Å; S289-K293 WeakPolarHBondContact OG-CE 3.39Å; S289-V440 WeakPolarHBondContact O-CG1 3.28Å; S289-V440 VanDerWaalsContact OG-CG1 3.31Å; S289-V440 WeakPolarHBondContact OG-CG1 3.14Å
290	S	48.3	Very low	54	Low	76 Å²	76	73.7 Å²	73.7	53%	0.531	44%	0.438	S	S	.	.	H	α-helix	trans	-64.3	-45.7	179.6	-173.5	0	0	0	0	112.5	A286 T287 T288 K293 Q294	A286-S290 PolarHBondContact O-N 3.22Å; T287-S290 PolarHBondContact O-N 2.77Å; T288-S290 PolarHBondContact O-N 2.98Å; S290-K293 PolarHBondContact O-N 2.97Å; S290-Q294 PolarHBondContact O-N 3.26Å
291	M	59.1	Low	54.8	Low	116 Å²	116	70.2 Å²	70.2	57%	0.571	41%	0.408	S	S	*	.	H	α-helix	trans	-65.8	-40.4	177	-69.5	-165.3	-63.2	0	0	111.6	T287 T288 S289 Q294 R295	T287-M291 HydrophobicContact CG2-CE 4.45Å; T287-M291 PolarHBondContact O-N 3.32Å; T288-M291 PolarHBondContact O-N 3.32Å; S289-M291 PolarHBondContact O-N 3.14Å; M291-Q294 PolarHBondContact O-N 3.27Å; M291-R295 WeakPolarHBondContact O-CB 3.34Å; M291-R295 PolarHBondContact O-N 3.35Å
292	E	62.4	Low	55.8	Low	55 Å²	55	65.3 Å²	65.3	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-35.3	175.3	-71.3	-57.2	150.6	0	0	111.9	T288 S289 R295 L296 V440	T288-E292 HydrophobicContact CG2-CG 3.91Å; T288-E292 VanDerWaalsContact O-CB 3.27Å; T288-E292 WeakPolarHBondContact O-CB 3.47Å; T288-E292 VanDerWaalsContact O-CG 3.24Å; T288-E292 WeakPolarHBondContact O-CG 3.14Å; T288-E292 PolarHBondContact O-N 3.48Å; S289-E292 PolarHBondContact O-N 2.71Å; E292-R295 PolarHBondContact O-N 3.41Å; E292-R295 IonicContact OE1-NE 3.56Å; E292-R295 IonicContact OE2-CZ 3.74Å; E292-R295 IonicContact OE2-NE 2.71Å; E292-R295 PolarHBondContact OE2-NE 2.93Å; E292-R295 IonicContact OE2-NH2 2.65Å; E292-L296 WeakPolarHBondContact O-CB 3.19Å; E292-L296 WeakPolarHBondContact O-CD1 3.41Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 3.09Å; E292-V440 HydrophobicContact CB-CG1 4.15Å; E292-V440 HydrophobicContact CB-CG2 4.13Å
293	K	60	Low	57.1	Low	59 Å²	59	63.9 Å²	63.9	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-48.5	173.3	-78	176.6	-167.8	176.1	0	111.1	S289 S290 R295 A297 A436 V440 D441	S289-K293 WeakPolarHBondContact O-CB 3.45Å; S289-K293 VanDerWaalsContact O-CG 3.28Å; S289-K293 WeakPolarHBondContact O-CG 3.2Å; S289-K293 PolarHBondContact O-N 3.44Å; S289-K293 WeakPolarHBondContact OG-CE 3.39Å; S290-K293 PolarHBondContact O-N 2.97Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-A297 VanDerWaalsContact O-CB 3.24Å; K293-A297 WeakPolarHBondContact O-CB 3.18Å; K293-A297 PolarHBondContact O-N 3.3Å; K293-A436 WeakPolarHBondContact O-CB 3.4Å; K293-V440 HydrophobicContact CB-CG2 4.36Å; K293-V440 HydrophobicContact CD-CB 4.4Å; K293-V440 HydrophobicContact CG-CB 3.48Å; K293-V440 VanDerWaalsContact CG-CB 3.48Å; K293-V440 HydrophobicContact CG-CG1 3.77Å; K293-V440 HydrophobicContact CG-CG2 3.68Å; K293-D441 WeakPolarHBondContact CE-OD1 3.43Å; K293-D441 VanDerWaalsContact CE-OD2 3.26Å; K293-D441 WeakPolarHBondContact CE-OD2 3.13Å; K293-D441 IonicContact NZ-OD1 3.76Å; K293-D441 PolarHBondContact NZ-OD1 3.22Å; K293-D441 IonicContact NZ-OD2 3.53Å; K293-D441 PolarHBondContact NZ-OD2 3.13Å
294	Q	62.2	Low	58.2	Low	120 Å²	120	60 Å²	60	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-42.9	178.6	-171.7	177.7	7.1	0	0	110.8	S290 M291 A297 H298	S290-Q294 PolarHBondContact O-N 3.26Å; M291-Q294 PolarHBondContact O-N 3.27Å; Q294-A297 PolarHBondContact O-N 3.34Å; Q294-H298 WeakPolarHBondContact O-CB 3.5Å; Q294-H298 PolarHBondContact O-CD2 2.91Å; Q294-H298 VanDerWaalsContact O-CG 3.31Å; Q294-H298 PolarHBondContact O-N 3.31Å
295	R	61.3	Low	59.4	Low	51 Å²	51	56.5 Å²	56.5	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-49	177.9	-169	175	106.5	104.6	14.6	111.4	M291 E292 K293 A297 H298 V299 L386 D390	M291-R295 WeakPolarHBondContact O-CB 3.34Å; M291-R295 PolarHBondContact O-N 3.35Å; E292-R295 PolarHBondContact O-N 3.41Å; E292-R295 IonicContact OE1-NE 3.56Å; E292-R295 IonicContact OE2-CZ 3.74Å; E292-R295 IonicContact OE2-NE 2.71Å; E292-R295 PolarHBondContact OE2-NE 2.93Å; E292-R295 IonicContact OE2-NH2 2.65Å; K293-R295 VanDerWaalsContact C-N 3.34Å; R295-A297 VanDerWaalsContact C-N 3.35Å; R295-A297 PolarHBondContact O-N 3.39Å; R295-H298 CarbonylContact O-C 3.55Å; R295-H298 PolarHBondContact O-N 2.93Å; R295-V299 HydrophobicContact CG-CG2 4.4Å; R295-V299 WeakPolarHBondContact O-CB 3.45Å; R295-V299 WeakPolarHBondContact O-CG2 3.44Å; R295-V299 PolarHBondContact O-N 3.4Å; R295-L386 VanDerWaalsContact NH1-CG 3.28Å; R295-L386 PolarHBondContact NH1-O 3.46Å; R295-D390 VanDerWaalsContact CD-OD1 3.28Å; R295-D390 WeakPolarHBondContact CD-OD1 3.34Å; R295-D390 WeakPolarHBondContact CG-OD1 3.48Å; R295-D390 IonicContact CZ-OD1 2.72Å; R295-D390 IonicContact NE-OD1 3.7Å; R295-D390 IonicContact NH1-OD1 2.76Å; R295-D390 PolarHBondContact NH1-OD1 2.7Å; R295-D390 IonicContact NH1-OD2 3.37Å; R295-D390 PolarHBondContact NH1-OD2 2.91Å
296	L	65.4	Low	60.5	Low	58 Å²	58	53.2 Å²	53.2	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-37.9	176.5	-78	161.9	0	0	0	112.3	E292 V299 S300 A436 V439 V440	E292-L296 WeakPolarHBondContact O-CB 3.19Å; E292-L296 WeakPolarHBondContact O-CD1 3.41Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 3.47Å; E292-L296 PolarHBondContact O-N 3.09Å; L296-V299 PolarHBondContact O-N 3.05Å; L296-S300 VanDerWaalsContact O-CB 3.27Å; L296-S300 WeakPolarHBondContact O-CB 3.34Å; L296-S300 PolarHBondContact O-N 2.86Å; L296-A436 HydrophobicContact CB-CB 3.94Å; L296-V439 HydrophobicContact CD1-CG1 4.36Å; L296-V440 HydrophobicContact CD1-CG2 3.2Å; L296-V440 HydrophobicContact CG-CG2 4.47Å
297	A	62.3	Low	61.9	Low	12 Å²	12	58.1 Å²	58.1	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-48.5	172.6	0	0	0	0	0	110.5	K293 Q294 R295 S300 I301 T432 A436	K293-A297 VanDerWaalsContact O-CB 3.24Å; K293-A297 WeakPolarHBondContact O-CB 3.18Å; K293-A297 PolarHBondContact O-N 3.3Å; Q294-A297 PolarHBondContact O-N 3.34Å; R295-A297 VanDerWaalsContact C-N 3.35Å; R295-A297 PolarHBondContact O-N 3.39Å; A297-S300 PolarHBondContact O-N 3.31Å; A297-I301 WeakPolarHBondContact O-CB 3.44Å; A297-I301 WeakPolarHBondContact O-CD1 3.49Å; A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 2.99Å; A297-T432 WeakPolarHBondContact O-CG2 3.1Å; A297-A436 HydrophobicContact CB-CB 3.92Å
298	H	64.8	Low	63.1	Low	58 Å²	58	56 Å²	56	27%	0.269	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-38.7	177.2	-71.4	-51.3	0	0	0	113.1	Q294 R295 G302 S393	Q294-H298 WeakPolarHBondContact O-CB 3.5Å; Q294-H298 PolarHBondContact O-CD2 2.91Å; Q294-H298 VanDerWaalsContact O-CG 3.31Å; Q294-H298 PolarHBondContact O-N 3.31Å; R295-H298 CarbonylContact O-C 3.55Å; R295-H298 PolarHBondContact O-N 2.93Å; H298-G302 WeakPolarHBondContact O-CA 3.44Å; H298-G302 PolarHBondContact O-N 2.99Å; H298-S393 VanDerWaalsContact C-CB 3.42Å; H298-S393 WeakPolarHBondContact O-CA 3.32Å; H298-S393 WeakPolarHBondContact O-CB 3.09Å
299	V	63.8	Low	64.2	Low	15 Å²	15	53.7 Å²	53.7	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-44.9	177.6	169.1	0	0	0	0	110.3	R295 L296 G302 H303 S389 S393	R295-V299 HydrophobicContact CG-CG2 4.4Å; R295-V299 WeakPolarHBondContact O-CB 3.45Å; R295-V299 WeakPolarHBondContact O-CG2 3.44Å; R295-V299 PolarHBondContact O-N 3.4Å; L296-V299 PolarHBondContact O-N 3.05Å; V299-G302 CarbonylContact O-C 3.49Å; V299-G302 VanDerWaalsContact O-CA 3.3Å; V299-G302 WeakPolarHBondContact O-CA 3.49Å; V299-G302 PolarHBondContact O-N 3.43Å; V299-G302 VanDerWaalsContact O-N 3.12Å; V299-H303 PolarHBondContact O-CD2 2.92Å; V299-H303 PolarHBondContact O-N 2.95Å; V299-S389 WeakPolarHBondContact CG2-OG 3.45Å; V299-S393 VanDerWaalsContact CA-CB 3.49Å
300	S	64.7	Low	65.2	Low	52 Å²	52	55 Å²	55	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-42.5	178.5	177	0	0	0	0	111.4	L296 A297 G302 H303 V304 T432	L296-S300 VanDerWaalsContact O-CB 3.27Å; L296-S300 WeakPolarHBondContact O-CB 3.34Å; L296-S300 PolarHBondContact O-N 2.86Å; A297-S300 PolarHBondContact O-N 3.31Å; S300-G302 PolarHBondContact O-N 3.38Å; S300-H303 PolarHBondContact O-N 3.12Å; S300-V304 VanDerWaalsContact O-CB 3.29Å; S300-V304 WeakPolarHBondContact O-CB 3.37Å; S300-V304 WeakPolarHBondContact O-CG2 3.42Å; S300-V304 PolarHBondContact O-N 3Å; S300-T432 WeakPolarHBondContact OG-CG2 3.5Å
301	I	63.7	Low	66.5	Low	6 Å²	6	56.5 Å²	56.5	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-40.8	169	-68.8	161.3	0	0	0	108.8	A297 V304 T305 I429 T432	A297-I301 WeakPolarHBondContact O-CB 3.44Å; A297-I301 WeakPolarHBondContact O-CD1 3.49Å; A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 2.99Å; I301-V304 PolarHBondContact O-N 2.97Å; I301-T305 WeakPolarHBondContact O-CA 3.28Å; I301-T305 WeakPolarHBondContact O-CB 3.37Å; I301-T305 PolarHBondContact O-N 3.33Å; I301-T305 PolarHBondContact O-OG1 3.34Å; I301-I429 HydrophobicContact CD1-CB 4.44Å; I301-I429 HydrophobicContact CD1-CG1 4.01Å; I301-T432 HydrophobicContact CG1-CG2 3.8Å
302	G	65.6	Low	67.7	Low	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.9	-60.9	178.8	0	0	0	0	0	112.4	H298 V299 S300 T305 M306	H298-G302 WeakPolarHBondContact O-CA 3.44Å; H298-G302 PolarHBondContact O-N 2.99Å; V299-G302 CarbonylContact O-C 3.49Å; V299-G302 VanDerWaalsContact O-CA 3.3Å; V299-G302 WeakPolarHBondContact O-CA 3.49Å; V299-G302 PolarHBondContact O-N 3.43Å; V299-G302 VanDerWaalsContact O-N 3.12Å; S300-G302 PolarHBondContact O-N 3.38Å; G302-T305 PolarHBondContact O-N 3.28Å; G302-M306 WeakPolarHBondContact O-CB 3.21Å; G302-M306 WeakPolarHBondContact O-CE 3.45Å; G302-M306 WeakPolarHBondContact O-CG 3.49Å; G302-M306 PolarHBondContact O-N 3.27Å
303	H	68.8	Low	68.7	Low	91 Å²	91	52.2 Å²	52.2	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-42.5	179.8	-76.6	-53.2	0	0	0	113.1	V299 S300 T305 R307	V299-H303 PolarHBondContact O-CD2 2.92Å; V299-H303 PolarHBondContact O-N 2.95Å; S300-H303 PolarHBondContact O-N 3.12Å; H303-T305 VanDerWaalsContact C-N 3.33Å; H303-T305 PolarHBondContact O-N 2.97Å; H303-R307 WeakPolarHBondContact O-CB 3.31Å; H303-R307 PolarHBondContact O-N 3.34Å; H303-R307 VanDerWaalsContact O-N 3.17Å
304	V	67.6	Low	69.8	Low	60 Å²	60	53.8 Å²	53.8	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-44.9	177.8	171.8	0	0	0	0	110.1	S300 I301 R307 N308	S300-V304 VanDerWaalsContact O-CB 3.29Å; S300-V304 WeakPolarHBondContact O-CB 3.37Å; S300-V304 WeakPolarHBondContact O-CG2 3.42Å; S300-V304 PolarHBondContact O-N 3Å; I301-V304 PolarHBondContact O-N 2.97Å; V304-R307 PolarHBondContact O-N 2.88Å; V304-N308 VanDerWaalsContact CG1-ND2 3.28Å; V304-N308 WeakPolarHBondContact CG1-ND2 3.38Å; V304-N308 WeakPolarHBondContact O-CB 3.49Å; V304-N308 PolarHBondContact O-N 3.12Å
305	T	69.7	Low	70.9	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-70.3	-45.3	-176.5	-59.5	0	0	0	0	111.5	I301 G302 H303 R307 N308 L309 G396 A400	I301-T305 WeakPolarHBondContact O-CA 3.28Å; I301-T305 WeakPolarHBondContact O-CB 3.37Å; I301-T305 PolarHBondContact O-N 3.33Å; I301-T305 PolarHBondContact O-OG1 3.34Å; G302-T305 PolarHBondContact O-N 3.28Å; H303-T305 VanDerWaalsContact C-N 3.33Å; H303-T305 PolarHBondContact O-N 2.97Å; T305-R307 PolarHBondContact O-N 3.33Å; T305-N308 PolarHBondContact O-N 3.36Å; T305-L309 HydrophobicContact CG2-CD1 3.13Å; T305-L309 HydrophobicContact CG2-CG 3.75Å; T305-L309 VanDerWaalsContact O-CB 3.28Å; T305-L309 WeakPolarHBondContact O-CB 3.38Å; T305-L309 PolarHBondContact O-N 3.26Å; T305-G396 VanDerWaalsContact CG2-O 3.32Å; T305-G396 WeakPolarHBondContact CG2-O 3.5Å; T305-A400 HydrophobicContact CG2-CB 4.14Å
306	M	67.8	Low	72.1	Confident	23 Å²	23	52.5 Å²	52.5	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-34.3	176.2	-79.2	-171.6	-99.5	0	0	112.8	M110 L111 G302 P310 A392 A395	M110-M306 HydrophobicContact CG-CG 4.27Å; M110-M306 HydrophobicContact CG-SD 4.02Å; M110-M306 HydrophobicContact SD-CG 3.73Å; M110-M306 HydrophobicContact SD-SD 4.15Å; L111-M306 HydrophobicContact CD1-SD 4.26Å; G302-M306 WeakPolarHBondContact O-CB 3.21Å; G302-M306 WeakPolarHBondContact O-CE 3.45Å; G302-M306 WeakPolarHBondContact O-CG 3.49Å; G302-M306 PolarHBondContact O-N 3.27Å; M306-P310 VanDerWaalsContact O-CD 3.29Å; M306-P310 WeakPolarHBondContact O-CD 3.35Å; M306-A392 HydrophobicContact CE-CB 3.79Å; M306-A392 WeakPolarHBondContact CE-O 3.48Å; M306-A395 HydrophobicContact CE-CB 4.33Å; M306-A395 HydrophobicContact SD-CB 4.47Å
307	R	69.5	Low	73.1	Confident	189 Å²	189	50.6 Å²	50.6	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-80.6	-42.5	176.6	-164.2	176.7	78.9	-177.9	5.5	113	H303 V304 T305	H303-R307 WeakPolarHBondContact O-CB 3.31Å; H303-R307 PolarHBondContact O-N 3.34Å; H303-R307 VanDerWaalsContact O-N 3.17Å; V304-R307 PolarHBondContact O-N 2.88Å; T305-R307 PolarHBondContact O-N 3.33Å
308	N	71.3	Confident	74.3	Confident	61 Å²	61	52 Å²	52	33%	0.326	28%	0.278	S	S	.	.	H	α-helix	trans	-85.2	-33.9	-170.4	-69.9	-8.5	0	0	0	113	V304 T305 M311 V312	V304-N308 VanDerWaalsContact CG1-ND2 3.28Å; V304-N308 WeakPolarHBondContact CG1-ND2 3.38Å; V304-N308 WeakPolarHBondContact O-CB 3.49Å; V304-N308 PolarHBondContact O-N 3.12Å; T305-N308 PolarHBondContact O-N 3.36Å; N308-M311 CarbonylContact O-C 3.56Å; N308-M311 WeakPolarHBondContact O-CA 3.26Å; N308-M311 VanDerWaalsContact O-CB 3.31Å; N308-M311 WeakPolarHBondContact O-CB 3.03Å; N308-M311 PolarHBondContact O-N 3.08Å; N308-M311 VanDerWaalsContact O-N 3.16Å; N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 3.2Å
309	L	76	Confident	75.3	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-43.6	-173.8	-92.4	175.1	0	0	0	114.4	T305 M311 V312 Q313 W354 Y358 S399 P403 F424	T305-L309 HydrophobicContact CG2-CD1 3.13Å; T305-L309 HydrophobicContact CG2-CG 3.75Å; T305-L309 VanDerWaalsContact O-CB 3.28Å; T305-L309 WeakPolarHBondContact O-CB 3.38Å; T305-L309 PolarHBondContact O-N 3.26Å; L309-M311 PolarHBondContact O-N 3.3Å; L309-V312 WeakPolarHBondContact O-CB 3.39Å; L309-V312 PolarHBondContact O-N 3.44Å; L309-V312 VanDerWaalsContact O-N 3.12Å; L309-Q313 PolarHBondContact O-N 3.14Å; L309-W354 HydrophobicContact CD2-CH2 4.4Å; L309-W354 HydrophobicContact CD2-CZ3 3.8Å; L309-Y358 WeakPolarHBondContact CB-OH 3.19Å; L309-Y358 WeakPolarHBondContact CD1-OH 3.31Å; L309-Y358 WeakPolarHBondContact CG-OH 3.23Å; L309-S399 VanDerWaalsContact CD1-C 3.45Å; L309-S399 WeakPolarHBondContact CD1-O 3.42Å; L309-P403 HydrophobicContact CD2-CG 3.86Å; L309-F424 HydrophobicContact CD1-CE1 4.47Å; L309-F424 HydrophobicContact CD1-CZ 4.26Å; L309-F424 HydrophobicContact CD2-CE1 4.31Å; L309-F424 HydrophobicContact CD2-CE2 3.99Å; L309-F424 HydrophobicContact CD2-CZ 3.44Å; L309-F424 VanDerWaalsContact CD2-CZ 3.44Å; L309-F424 HydrophobicContact CG-CZ 3.99Å
310	P	74	Confident	76.4	Confident	44 Å²	44	53 Å²	53	29%	0.286	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-36.9	172.5	-25.4	35.6	0	0	0	112	M306 Q313 T314	M306-P310 VanDerWaalsContact O-CD 3.29Å; M306-P310 WeakPolarHBondContact O-CD 3.35Å; P310-Q313 PolarHBondContact O-N 2.77Å; P310-T314 PolarHBondContact O-N 2.98Å; P310-T314 PolarHBondContact O-OG1 2.95Å
311	M	77.2	Confident	77.5	Confident	106 Å²	106	53.5 Å²	53.5	52%	0.522	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-42.6	173.9	-169.7	-174.7	-66.3	0	0	111.5	N308 L309 Q313 T314 I315	N308-M311 CarbonylContact O-C 3.56Å; N308-M311 WeakPolarHBondContact O-CA 3.26Å; N308-M311 VanDerWaalsContact O-CB 3.31Å; N308-M311 WeakPolarHBondContact O-CB 3.03Å; N308-M311 PolarHBondContact O-N 3.08Å; N308-M311 VanDerWaalsContact O-N 3.16Å; L309-M311 PolarHBondContact O-N 3.3Å; M311-Q313 PolarHBondContact O-N 3.07Å; M311-T314 WeakPolarHBondContact O-CB 3.35Å; M311-T314 PolarHBondContact O-N 3.32Å; M311-I315 HydrophobicContact CG-CD1 3.86Å; M311-I315 HydrophobicContact CG-CG1 4.46Å; M311-I315 WeakPolarHBondContact O-CB 3.31Å; M311-I315 VanDerWaalsContact O-CG1 3.23Å; M311-I315 WeakPolarHBondContact O-CG1 3.39Å; M311-I315 PolarHBondContact O-N 3.06Å; M311-I315 HydrophobicContact SD-CD1 4.47Å
312	V	83.1	Confident	78.5	Confident	50 Å²	50	55.7 Å²	55.7	30%	0.303	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.5	169.4	0	0	0	0	111.1	N308 L309 T314 I315 L316 W354	N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 3.2Å; L309-V312 WeakPolarHBondContact O-CB 3.39Å; L309-V312 PolarHBondContact O-N 3.44Å; L309-V312 VanDerWaalsContact O-N 3.12Å; V312-T314 VanDerWaalsContact C-N 3.31Å; V312-T314 PolarHBondContact O-N 3.47Å; V312-I315 PolarHBondContact O-N 3.07Å; V312-L316 HydrophobicContact CG1-CD1 3.7Å; V312-L316 HydrophobicContact CG1-CG 4.06Å; V312-L316 VanDerWaalsContact O-CB 3.31Å; V312-L316 WeakPolarHBondContact O-CB 3.43Å; V312-L316 VanDerWaalsContact O-CG 3.24Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.85Å; V312-W354 HydrophobicContact CG1-CH2 4.12Å; V312-W354 HydrophobicContact CG1-CZ3 4.23Å
313	Q	84.9	Confident	79.5	Confident	32 Å²	32	59 Å²	59	15%	0.15	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-43.7	175.2	-178.3	-87.9	-11.4	0	0	111.3	L309 P310 M311 L316 T317 W354	L309-Q313 PolarHBondContact O-N 3.14Å; P310-Q313 PolarHBondContact O-N 2.77Å; M311-Q313 PolarHBondContact O-N 3.07Å; Q313-L316 PolarHBondContact O-N 3.28Å; Q313-T317 WeakPolarHBondContact O-CB 3.37Å; Q313-T317 PolarHBondContact O-N 3.15Å; Q313-T317 PolarHBondContact O-OG1 3.35Å; Q313-W354 HydrophobicContact CB-CD2 4.43Å; Q313-W354 HydrophobicContact CB-CE3 3.62Å; Q313-W354 HydrophobicContact CB-CZ3 3.86Å; Q313-W354 HydrophobicContact CG-CB 4.45Å; Q313-W354 HydrophobicContact CG-CD2 4.4Å; Q313-W354 HydrophobicContact CG-CE3 4.05Å
314	T	82.5	Confident	80.4	Confident	91 Å²	91	55.3 Å²	55.3	56%	0.558	31%	0.308	S	S	*	.	H	α-helix	trans	-64.1	-46	177.8	-56.9	0	0	0	0	110.7	P310 M311 V312 T317 G318	P310-T314 PolarHBondContact O-N 2.98Å; P310-T314 PolarHBondContact O-OG1 2.95Å; M311-T314 WeakPolarHBondContact O-CB 3.35Å; M311-T314 PolarHBondContact O-N 3.32Å; V312-T314 VanDerWaalsContact C-N 3.31Å; V312-T314 PolarHBondContact O-N 3.47Å; T314-T317 PolarHBondContact O-N 3.44Å; T314-G318 PolarHBondContact O-N 2.93Å
315	I	84.4	Confident	80.9	Confident	92 Å²	92	54.2 Å²	54.2	47%	0.472	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-47.6	177.8	-69.6	165.8	0	0	0	111	M311 V312 T317 G318 I319	M311-I315 HydrophobicContact CG-CD1 3.86Å; M311-I315 HydrophobicContact CG-CG1 4.46Å; M311-I315 WeakPolarHBondContact O-CB 3.31Å; M311-I315 VanDerWaalsContact O-CG1 3.23Å; M311-I315 WeakPolarHBondContact O-CG1 3.39Å; M311-I315 PolarHBondContact O-N 3.06Å; M311-I315 HydrophobicContact SD-CD1 4.47Å; V312-I315 PolarHBondContact O-N 3.07Å; I315-T317 VanDerWaalsContact C-N 3.28Å; I315-T317 PolarHBondContact O-N 2.88Å; I315-G318 CarbonylContact O-C 3.48Å; I315-G318 WeakPolarHBondContact O-CA 3.03Å; I315-G318 PolarHBondContact O-N 2.97Å; I315-G318 VanDerWaalsContact O-N 3.11Å; I315-I319 HydrophobicContact CG2-CD1 3.82Å; I315-I319 HydrophobicContact CG2-CG1 4.37Å; I315-I319 WeakPolarHBondContact O-CG1 3.33Å; I315-I319 PolarHBondContact O-N 2.9Å
316	L	86.1	Confident	81.5	Confident	53 Å²	53	59.4 Å²	59.4	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-35.8	179	-72.6	176.2	0	0	0	111.7	V312 Q313 I319 A320 L351 W354	V312-L316 HydrophobicContact CG1-CD1 3.7Å; V312-L316 HydrophobicContact CG1-CG 4.06Å; V312-L316 VanDerWaalsContact O-CB 3.31Å; V312-L316 WeakPolarHBondContact O-CB 3.43Å; V312-L316 VanDerWaalsContact O-CG 3.24Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.85Å; Q313-L316 PolarHBondContact O-N 3.28Å; L316-I319 HydrophobicContact CD2-CD1 4.38Å; L316-I319 PolarHBondContact O-N 3.18Å; L316-A320 WeakPolarHBondContact O-CB 3.41Å; L316-A320 PolarHBondContact O-N 3.4Å; L316-L351 HydrophobicContact CB-CD1 4.08Å; L316-L351 HydrophobicContact CB-CD2 3.61Å; L316-L351 HydrophobicContact CD1-CD2 3.85Å; L316-L351 HydrophobicContact CG-CD2 4.4Å; L316-W354 HydrophobicContact CD1-CH2 3.89Å; L316-W354 HydrophobicContact CD1-CZ2 4.3Å
317	T	87.1	Confident	82.2	Confident	18 Å²	18	60.2 Å²	60.2	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-43	172.4	-56.4	0	0	0	0	110.6	L79 Q313 T314 I315 I319 A320 I321	L79-T317 HydrophobicContact CD1-CG2 4.21Å; Q313-T317 WeakPolarHBondContact O-CB 3.37Å; Q313-T317 PolarHBondContact O-N 3.15Å; Q313-T317 PolarHBondContact O-OG1 3.35Å; T314-T317 PolarHBondContact O-N 3.44Å; I315-T317 VanDerWaalsContact C-N 3.28Å; I315-T317 PolarHBondContact O-N 2.88Å; T317-I319 VanDerWaalsContact C-N 3.34Å; T317-I319 PolarHBondContact O-N 3.46Å; T317-A320 WeakPolarHBondContact O-CB 3.3Å; T317-A320 PolarHBondContact O-N 2.88Å; T317-I321 HydrophobicContact CG2-CD1 4.31Å; T317-I321 VanDerWaalsContact O-CG1 3.31Å; T317-I321 WeakPolarHBondContact O-CG1 3.05Å; T317-I321 PolarHBondContact O-N 2.88Å
318	G	86.9	Confident	82.7	Confident	40 Å²	40	52.1 Å²	52.1	41%	0.412	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-40.9	172.2	0	0	0	0	0	113.2	T314 I315 I321 G322	T314-G318 PolarHBondContact O-N 2.93Å; I315-G318 CarbonylContact O-C 3.48Å; I315-G318 WeakPolarHBondContact O-CA 3.03Å; I315-G318 PolarHBondContact O-N 2.97Å; I315-G318 VanDerWaalsContact O-N 3.11Å; G318-I321 PolarHBondContact O-N 3.28Å; G318-G322 PolarHBondContact O-N 3.04Å
319	I	87.6	Confident	83	Confident	83 Å²	83	50.9 Å²	50.9	43%	0.426	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-43	174.5	-70.3	168.7	0	0	0	110.7	I315 L316 T317 I321 G322 I323	I315-I319 HydrophobicContact CG2-CD1 3.82Å; I315-I319 HydrophobicContact CG2-CG1 4.37Å; I315-I319 WeakPolarHBondContact O-CG1 3.33Å; I315-I319 PolarHBondContact O-N 2.9Å; L316-I319 HydrophobicContact CD2-CD1 4.38Å; L316-I319 PolarHBondContact O-N 3.18Å; T317-I319 VanDerWaalsContact C-N 3.34Å; T317-I319 PolarHBondContact O-N 3.46Å; I319-I321 VanDerWaalsContact C-N 3.31Å; I319-I321 PolarHBondContact O-N 3.3Å; I319-G322 CarbonylContact O-C 3.56Å; I319-G322 PolarHBondContact O-N 3.27Å; I319-G322 VanDerWaalsContact O-N 3.11Å; I319-I323 HydrophobicContact CG2-CD1 3.5Å; I319-I323 VanDerWaalsContact CG2-CD1 3.5Å; I319-I323 HydrophobicContact CG2-CG1 4.11Å; I319-I323 WeakPolarHBondContact O-CB 3.42Å; I319-I323 WeakPolarHBondContact O-CG1 2.97Å; I319-I323 PolarHBondContact O-N 3.48Å
320	A	86	Confident	83	Confident	12 Å²	12	52.5 Å²	52.5	10%	0.099	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-44	176.3	0	0	0	0	0	111	L316 T317 I323 F324 Y344 L348 L351	L316-A320 WeakPolarHBondContact O-CB 3.41Å; L316-A320 PolarHBondContact O-N 3.4Å; T317-A320 WeakPolarHBondContact O-CB 3.3Å; T317-A320 PolarHBondContact O-N 2.88Å; A320-I323 PolarHBondContact O-N 3.24Å; A320-F324 PolarHBondContact O-N 3.43Å; A320-Y344 HydrophobicContact CB-CE2 4.24Å; A320-Y344 WeakPolarHBondContact O-CE2 3.49Å; A320-Y344 PolarHBondContact O-OH 3.45Å; A320-L348 HydrophobicContact CB-CD2 3.89Å; A320-L351 HydrophobicContact CB-CD1 4.46Å
321	I	87.4	Confident	83	Confident	62 Å²	62	50.9 Å²	50.9	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-45.5	172.8	-66.7	164.3	0	0	0	110.9	L75 L79 T317 G318 I319 I323 F324	L75-I321 HydrophobicContact CD1-CB 4.38Å; L75-I321 HydrophobicContact CD1-CG1 4.18Å; L75-I321 HydrophobicContact CD1-CG2 4.28Å; L75-I321 HydrophobicContact CD2-CG2 3.89Å; L79-I321 HydrophobicContact CD1-CG1 4.45Å; L79-I321 HydrophobicContact CD2-CD1 3.84Å; L79-I321 HydrophobicContact CD2-CG1 4.02Å; T317-I321 HydrophobicContact CG2-CD1 4.31Å; T317-I321 VanDerWaalsContact O-CG1 3.31Å; T317-I321 WeakPolarHBondContact O-CG1 3.05Å; T317-I321 PolarHBondContact O-N 2.88Å; G318-I321 PolarHBondContact O-N 3.28Å; I319-I321 VanDerWaalsContact C-N 3.31Å; I319-I321 PolarHBondContact O-N 3.3Å; I321-I323 PolarHBondContact O-N 3.02Å; I321-F324 VanDerWaalsContact O-CB 3.26Å; I321-F324 WeakPolarHBondContact O-CB 3.46Å; I321-F324 PolarHBondContact O-N 2.94Å
322	G	84.8	Confident	82.9	Confident	52 Å²	52	46.5 Å²	46.5	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-68.5	-28.2	-179.1	0	0	0	0	0	114.8	G318 I319 F324 P325	G318-G322 PolarHBondContact O-N 3.04Å; I319-G322 CarbonylContact O-C 3.56Å; I319-G322 PolarHBondContact O-N 3.27Å; I319-G322 VanDerWaalsContact O-N 3.11Å; G322-F324 VanDerWaalsContact C-N 3.33Å; G322-P325 VanDerWaalsContact O-CD 3.23Å; G322-P325 WeakPolarHBondContact O-CD 3.18Å
323	I	87.4	Confident	82.4	Confident	70 Å²	70	47.7 Å²	47.7	36%	0.359	28%	0.282	S	S	.	.	H	α-helix	trans	-78.7	-17	178	-75.3	174.2	0	0	0	111.8	I319 A320 I321 P325 L326 L327	I319-I323 HydrophobicContact CG2-CD1 3.5Å; I319-I323 VanDerWaalsContact CG2-CD1 3.5Å; I319-I323 HydrophobicContact CG2-CG1 4.11Å; I319-I323 WeakPolarHBondContact O-CB 3.42Å; I319-I323 WeakPolarHBondContact O-CG1 2.97Å; I319-I323 PolarHBondContact O-N 3.48Å; A320-I323 PolarHBondContact O-N 3.24Å; I321-I323 PolarHBondContact O-N 3.02Å; I323-P325 VanDerWaalsContact C-CD 3.44Å; I323-L326 WeakPolarHBondContact O-CA 3.05Å; I323-L326 WeakPolarHBondContact O-CB 3.25Å; I323-L326 PolarHBondContact O-N 3.43Å; I323-L327 HydrophobicContact CG2-CD1 3.85Å; I323-L327 HydrophobicContact CG2-CD2 4.01Å; I323-L327 HydrophobicContact CG2-CG 3.63Å; I323-L327 PolarHBondContact O-N 3.46Å
324	F	86.2	Confident	81.7	Confident	13 Å²	13	47.8 Å²	47.8	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-48.7	-45.1	-178.6	179	-105.9	0	0	0	115.4	M1 P72 G74 L75 A320 I321 G322 L326 L327 I328 Y344	M1-F324 HydrophobicContact CE-CD1 3.98Å; M1-F324 HydrophobicContact CE-CE1 3.96Å; P72-F324 HydrophobicContact CB-CE1 3.95Å; P72-F324 HydrophobicContact CB-CZ 4.38Å; P72-F324 HydrophobicContact CG-CE1 4.25Å; G74-F324 VanDerWaalsContact C-CZ 3.49Å; G74-F324 WeakPolarHBondContact O-CE2 3.5Å; L75-F324 HydrophobicContact CB-CD1 3.9Å; L75-F324 HydrophobicContact CB-CD2 4.14Å; L75-F324 HydrophobicContact CB-CE1 3.82Å; L75-F324 HydrophobicContact CB-CE2 4.09Å; L75-F324 HydrophobicContact CB-CG 4.05Å; L75-F324 HydrophobicContact CB-CZ 3.93Å; L75-F324 HydrophobicContact CD1-CB 4.17Å; L75-F324 HydrophobicContact CD1-CD2 4.38Å; L75-F324 HydrophobicContact CD1-CG 4.18Å; L75-F324 HydrophobicContact CD2-CD1 4.46Å; A320-F324 PolarHBondContact O-N 3.43Å; I321-F324 VanDerWaalsContact O-CB 3.26Å; I321-F324 WeakPolarHBondContact O-CB 3.46Å; I321-F324 PolarHBondContact O-N 2.94Å; G322-F324 VanDerWaalsContact C-N 3.33Å; F324-L326 VanDerWaalsContact C-N 3.31Å; F324-L326 PolarHBondContact O-N 3.28Å; F324-L327 PolarHBondContact O-N 2.85Å; F324-I328 HydrophobicContact CD1-CD1 3.66Å; F324-I328 HydrophobicContact CD2-CD1 4.5Å; F324-I328 HydrophobicContact CE1-CD1 3.22Å; F324-I328 HydrophobicContact CE1-CG1 4.24Å; F324-I328 HydrophobicContact CE2-CD1 4.12Å; F324-I328 HydrophobicContact CE2-CG1 4.3Å; F324-I328 HydrophobicContact CG-CD1 4.29Å; F324-I328 HydrophobicContact CZ-CD1 3.48Å; F324-I328 VanDerWaalsContact CZ-CD1 3.48Å; F324-I328 HydrophobicContact CZ-CG1 4.06Å; F324-I328 WeakPolarHBondContact O-CG1 3.44Å; F324-I328 PolarHBondContact O-N 3.46Å; F324-Y344 HydrophobicContact CD2-CE1 4.17Å
325	P	80.1	Confident	81.2	Confident	38 Å²	38	49.5 Å²	49.5	25%	0.247	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-37	175.6	-19	31.7	0	0	0	113.1	M1 W6 G322 I323 I328 L329	M1-P325 HydrophobicContact CE-CB 4.08Å; M1-P325 HydrophobicContact CE-CG 4.08Å; W6-P325 HydrophobicContact CH2-CB 3.71Å; W6-P325 WeakPolarHBondContact CH2-O 3.44Å; W6-P325 HydrophobicContact CZ3-CB 3.72Å; G322-P325 VanDerWaalsContact O-CD 3.23Å; G322-P325 WeakPolarHBondContact O-CD 3.18Å; I323-P325 VanDerWaalsContact C-CD 3.44Å; P325-I328 PolarHBondContact O-N 3.23Å; P325-L329 WeakPolarHBondContact O-CG 3.07Å; P325-L329 PolarHBondContact O-N 3.41Å
326	L	82.1	Confident	80.7	Confident	115 Å²	115	49.5 Å²	49.5	60%	0.602	28%	0.283	S	S	*	.	H	α-helix	trans	-69.1	-37.7	176.4	-65.4	171.2	0	0	0	111.4	I323 F324 I328 L329 A330	I323-L326 WeakPolarHBondContact O-CA 3.05Å; I323-L326 WeakPolarHBondContact O-CB 3.25Å; I323-L326 PolarHBondContact O-N 3.43Å; F324-L326 VanDerWaalsContact C-N 3.31Å; F324-L326 PolarHBondContact O-N 3.28Å; L326-I328 VanDerWaalsContact C-N 3.31Å; L326-I328 PolarHBondContact O-N 3.49Å; L326-L329 PolarHBondContact O-N 3.12Å; L326-A330 PolarHBondContact O-N 2.99Å
327	L	81.8	Confident	80.3	Confident	41 Å²	41	47.1 Å²	47.1	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-38.4	176.4	-63.8	170.7	0	0	0	111.5	I323 F324 L329 A330 A331 V340 Y344	I323-L327 HydrophobicContact CG2-CD1 3.85Å; I323-L327 HydrophobicContact CG2-CD2 4.01Å; I323-L327 HydrophobicContact CG2-CG 3.63Å; I323-L327 PolarHBondContact O-N 3.46Å; F324-L327 PolarHBondContact O-N 2.85Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 3.32Å; L327-A330 PolarHBondContact O-N 3.49Å; L327-A331 WeakPolarHBondContact O-CB 3.3Å; L327-A331 PolarHBondContact O-N 2.83Å; L327-V340 HydrophobicContact CB-CG1 4.1Å; L327-V340 HydrophobicContact CD2-CG1 3.59Å; L327-V340 HydrophobicContact CG-CG1 4.41Å; L327-Y344 HydrophobicContact CD1-CD1 4.39Å; L327-Y344 HydrophobicContact CD1-CD2 3.13Å; L327-Y344 HydrophobicContact CD1-CE2 3.63Å; L327-Y344 HydrophobicContact CD1-CG 3.57Å
328	I	79.4	Confident	80	Confident	18 Å²	18	52.6 Å²	52.6	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-46.3	173.9	-71.6	158.2	0	0	0	110.5	M1 I44 V48 F324 P325 L326 A330 A331 V332	M1-I328 HydrophobicContact CE-CD1 3.46Å; M1-I328 VanDerWaalsContact CE-CD1 3.46Å; I44-I328 HydrophobicContact CG2-CG2 3.86Å; V48-I328 HydrophobicContact CG2-CD1 3.51Å; V48-I328 HydrophobicContact CG2-CG1 3.96Å; V48-I328 HydrophobicContact CG2-CG2 3.89Å; F324-I328 HydrophobicContact CD1-CD1 3.66Å; F324-I328 HydrophobicContact CD2-CD1 4.5Å; F324-I328 HydrophobicContact CE1-CD1 3.22Å; F324-I328 HydrophobicContact CE1-CG1 4.24Å; F324-I328 HydrophobicContact CE2-CD1 4.12Å; F324-I328 HydrophobicContact CE2-CG1 4.3Å; F324-I328 HydrophobicContact CG-CD1 4.29Å; F324-I328 HydrophobicContact CZ-CD1 3.48Å; F324-I328 VanDerWaalsContact CZ-CD1 3.48Å; F324-I328 HydrophobicContact CZ-CG1 4.06Å; F324-I328 WeakPolarHBondContact O-CG1 3.44Å; F324-I328 PolarHBondContact O-N 3.46Å; P325-I328 PolarHBondContact O-N 3.23Å; L326-I328 VanDerWaalsContact C-N 3.31Å; L326-I328 PolarHBondContact O-N 3.49Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.42Å; I328-A331 PolarHBondContact O-N 3.36Å; I328-V332 WeakPolarHBondContact O-CG2 3.45Å; I328-V332 PolarHBondContact O-N 3.06Å
329	L	77.5	Confident	79.7	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-39.8	178.6	-66.3	172.3	0	0	0	112.3	W6 I9 A13 P325 L326 L327	W6-L329 HydrophobicContact CH2-CD1 4.25Å; W6-L329 HydrophobicContact CH2-CD2 4.21Å; W6-L329 HydrophobicContact CH2-CG 4.01Å; W6-L329 HydrophobicContact CZ3-CD1 4.08Å; W6-L329 HydrophobicContact CZ3-CG 4.34Å; I9-L329 HydrophobicContact CG2-CD1 3.67Å; I9-L329 HydrophobicContact CG2-CD2 3.71Å; I9-L329 HydrophobicContact CG2-CG 4.36Å; A13-L329 HydrophobicContact CB-CD2 3.83Å; P325-L329 WeakPolarHBondContact O-CG 3.07Å; P325-L329 PolarHBondContact O-N 3.41Å; L326-L329 PolarHBondContact O-N 3.12Å; L327-L329 VanDerWaalsContact C-N 3.33Å; L327-L329 PolarHBondContact O-N 3.32Å
330	A	76	Confident	79.5	Confident	37 Å²	37	52.3 Å²	52.3	31%	0.306	30%	0.297	S	S	.	.	H	α-helix	trans	-71.3	-34.9	175.4	0	0	0	0	0	112.7	L326 L327 I328 V332 F333 V340	L326-A330 PolarHBondContact O-N 2.99Å; L327-A330 PolarHBondContact O-N 3.49Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.42Å; A330-V332 PolarHBondContact O-N 3.22Å; A330-F333 PolarHBondContact O-N 3.1Å; A330-V340 HydrophobicContact CB-CG2 4.49Å
331	A	75.2	Confident	79.4	Confident	10 Å²	10	54.3 Å²	54.3	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-70.3	-18.8	-177.9	0	0	0	0	0	112.8	I44 L327 I328 F333 T337	I44-A331 VanDerWaalsContact CD1-C 3.45Å; I44-A331 HydrophobicContact CD1-CB 4.02Å; I44-A331 VanDerWaalsContact CD1-O 3.28Å; I44-A331 WeakPolarHBondContact CD1-O 3.27Å; I44-A331 HydrophobicContact CG1-CB 4.47Å; L327-A331 WeakPolarHBondContact O-CB 3.3Å; L327-A331 PolarHBondContact O-N 2.83Å; I328-A331 PolarHBondContact O-N 3.36Å; A331-F333 PolarHBondContact O-N 3.15Å; A331-F333 VanDerWaalsContact O-N 3.13Å; A331-T337 HydrophobicContact CB-CG2 4.12Å; A331-T337 WeakPolarHBondContact O-CB 3.27Å; A331-T337 WeakPolarHBondContact O-CG2 3.42Å; A331-T337 PolarHBondContact O-OG1 3.03Å
332	V	74.4	Confident	79.2	Confident	13 Å²	13	57.8 Å²	57.8	8%	0.079	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.2	175.4	164.4	0	0	0	0	112.6	L14 I44 I328 A330 N334	L14-V332 HydrophobicContact CD2-CG1 4.45Å; I44-V332 HydrophobicContact CD1-CG2 4.09Å; I328-V332 WeakPolarHBondContact O-CG2 3.45Å; I328-V332 PolarHBondContact O-N 3.06Å; A330-V332 PolarHBondContact O-N 3.22Å; V332-N334 PolarHBondContact O-N 3.39Å
333	F	72.9	Confident	79.2	Confident	76 Å²	76	57 Å²	57	33%	0.333	31%	0.31	S	S	.	.	S	Bend	trans	-83.5	112.6	171.9	-63.3	-78.4	0	0	0	111.5	L16 A20 A330 A331 K335 L336 T337	L16-F333 HydrophobicContact CB-CZ 4.46Å; A20-F333 HydrophobicContact CB-CD1 4.31Å; A20-F333 HydrophobicContact CB-CE1 4.33Å; A330-F333 PolarHBondContact O-N 3.1Å; A331-F333 PolarHBondContact O-N 3.15Å; A331-F333 VanDerWaalsContact O-N 3.13Å; F333-K335 VanDerWaalsContact C-N 3.26Å; F333-K335 PolarHBondContact O-N 3.47Å; F333-L336 HydrophobicContact CB-CB 4.37Å; F333-L336 HydrophobicContact CB-CD1 3.86Å; F333-L336 WeakPolarHBondContact O-CA 3.45Å; F333-L336 PolarHBondContact O-N 3.35Å; F333-T337 PolarHBondContact O-N 3.33Å; F333-T337 PolarHBondContact O-OG1 3.02Å
334	N	70.3	Confident	79	Confident	33 Å²	33	54.3 Å²	54.3	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-46.4	-42	-175.2	-175	15.1	0	0	0	114.2	D33 W37 V332 L336 T337	D33-N334 PolarHBondContact O-ND2 3.17Å; W37-N334 HydrophobicContact CB-CB 4.27Å; W37-N334 PolarHBondContact N-ND2 3.07Å; V332-N334 PolarHBondContact O-N 3.39Å; N334-L336 VanDerWaalsContact C-N 3.32Å; N334-L336 PolarHBondContact O-N 3.17Å; N334-T337 WeakPolarHBondContact CA-OG1 3.18Å; N334-T337 PolarHBondContact O-OG1 3.19Å
335	K	71.8	Confident	79	Confident	128 Å²	128	55.8 Å²	55.8	56%	0.557	31%	0.305	S	S	*	.	H	α-helix	trans	-69.7	-26.2	179.1	-72.4	-171.1	177.1	176.7	0	114.3	M24 F333	M24-K335 HydrophobicContact SD-CD 4.21Å; M24-K335 HydrophobicContact SD-CG 4.4Å; F333-K335 VanDerWaalsContact C-N 3.26Å; F333-K335 PolarHBondContact O-N 3.47Å
336	L	73.8	Confident	79.2	Confident	91 Å²	91	56.8 Å²	56.8	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-95.2	-24.4	-178.9	-76.3	106.5	0	0	0	112.7	F333 N334 L338 S339 V340	F333-L336 HydrophobicContact CB-CB 4.37Å; F333-L336 HydrophobicContact CB-CD1 3.86Å; F333-L336 WeakPolarHBondContact O-CA 3.45Å; F333-L336 PolarHBondContact O-N 3.35Å; N334-L336 VanDerWaalsContact C-N 3.32Å; N334-L336 PolarHBondContact O-N 3.17Å; L336-L338 PolarHBondContact O-N 2.96Å; L336-S339 PolarHBondContact O-N 2.77Å; L336-S339 VanDerWaalsContact O-N 3.09Å; L336-V340 HydrophobicContact CB-CG2 4.08Å; L336-V340 HydrophobicContact CD2-CG2 4.46Å; L336-V340 WeakPolarHBondContact O-CB 3.38Å; L336-V340 VanDerWaalsContact O-CG2 3.27Å; L336-V340 WeakPolarHBondContact O-CG2 3.42Å; L336-V340 PolarHBondContact O-N 3.28Å
337	T	78.4	Confident	79.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-49.2	-56.5	-171.9	-41.7	0	0	0	0	113.2	V40 I44 A331 F333 N334 S339 V340 L341	V40-T337 HydrophobicContact CB-CG2 4.4Å; V40-T337 HydrophobicContact CG1-CG2 3.69Å; V40-T337 WeakPolarHBondContact CG1-OG1 3.19Å; V40-T337 HydrophobicContact CG2-CG2 3.97Å; I44-T337 HydrophobicContact CD1-CG2 4.43Å; A331-T337 HydrophobicContact CB-CG2 4.12Å; A331-T337 WeakPolarHBondContact O-CB 3.27Å; A331-T337 WeakPolarHBondContact O-CG2 3.42Å; A331-T337 PolarHBondContact O-OG1 3.03Å; F333-T337 PolarHBondContact O-N 3.33Å; F333-T337 PolarHBondContact O-OG1 3.02Å; N334-T337 WeakPolarHBondContact CA-OG1 3.18Å; N334-T337 PolarHBondContact O-OG1 3.19Å; T337-S339 VanDerWaalsContact C-N 3.34Å; T337-S339 PolarHBondContact O-N 2.96Å; T337-V340 PolarHBondContact O-N 2.86Å; T337-L341 VanDerWaalsContact O-CB 3.28Å; T337-L341 WeakPolarHBondContact O-CB 3.19Å; T337-L341 PolarHBondContact O-N 3.11Å
338	L	79.6	Confident	79.5	Confident	133 Å²	133	50.9 Å²	50.9	70%	0.696	28%	0.279	S	S	*	.	H	α-helix	trans	-66.2	-37.7	-176.9	-74.6	173.1	0	0	0	111.7	L336 K342	L336-L338 PolarHBondContact O-N 2.96Å; L338-K342 WeakPolarHBondContact O-CB 3.25Å; L338-K342 PolarHBondContact O-N 3.42Å
339	S	82	Confident	79.8	Confident	88 Å²	88	53.1 Å²	53.1	62%	0.615	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-43.5	178.9	-168.6	0	0	0	0	111.7	L336 T337 G343	L336-S339 PolarHBondContact O-N 2.77Å; L336-S339 VanDerWaalsContact O-N 3.09Å; T337-S339 VanDerWaalsContact C-N 3.34Å; T337-S339 PolarHBondContact O-N 2.96Å; S339-G343 PolarHBondContact O-N 3.03Å
340	V	83.4	Confident	80.2	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-47.3	178.7	174.5	0	0	0	0	110.7	L327 A330 L336 T337 G343 Y344	L327-V340 HydrophobicContact CB-CG1 4.1Å; L327-V340 HydrophobicContact CD2-CG1 3.59Å; L327-V340 HydrophobicContact CG-CG1 4.41Å; A330-V340 HydrophobicContact CB-CG2 4.49Å; L336-V340 HydrophobicContact CB-CG2 4.08Å; L336-V340 HydrophobicContact CD2-CG2 4.46Å; L336-V340 WeakPolarHBondContact O-CB 3.38Å; L336-V340 VanDerWaalsContact O-CG2 3.27Å; L336-V340 WeakPolarHBondContact O-CG2 3.42Å; L336-V340 PolarHBondContact O-N 3.28Å; T337-V340 PolarHBondContact O-N 2.86Å; V340-G343 PolarHBondContact O-N 3.39Å; V340-Y344 WeakPolarHBondContact O-CB 3.16Å; V340-Y344 PolarHBondContact O-N 3.29Å
341	L	82.9	Confident	80.7	Confident	54 Å²	54	51.9 Å²	51.9	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-45	179	-173.2	67.3	0	0	0	111.4	L43 T337 G343 Y344 V345	L43-L341 HydrophobicContact CD2-CD2 4.45Å; T337-L341 VanDerWaalsContact O-CB 3.28Å; T337-L341 WeakPolarHBondContact O-CB 3.19Å; T337-L341 PolarHBondContact O-N 3.11Å; L341-G343 VanDerWaalsContact C-N 3.34Å; L341-G343 PolarHBondContact O-N 3.32Å; L341-Y344 PolarHBondContact O-N 3.24Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 2.83Å
342	K	84.1	Confident	81.3	Confident	136 Å²	136	52.5 Å²	52.5	59%	0.591	28%	0.277	S	S	*	.	H	α-helix	trans	-57.4	-49	173.3	-177.3	176	179.3	-176.3	0	110.1	L338 Y344 V345 F346	L338-K342 WeakPolarHBondContact O-CB 3.25Å; L338-K342 PolarHBondContact O-N 3.42Å; K342-Y344 VanDerWaalsContact C-N 3.32Å; K342-Y344 PolarHBondContact O-N 2.82Å; K342-V345 PolarHBondContact O-N 3.24Å; K342-F346 HydrophobicContact CD-CD2 4.46Å; K342-F346 HydrophobicContact CD-CE2 4Å; K342-F346 HydrophobicContact CG-CD2 3.52Å; K342-F346 HydrophobicContact CG-CE2 3.41Å; K342-F346 VanDerWaalsContact CG-CE2 3.41Å; K342-F346 WeakPolarHBondContact O-CD2 3.31Å; K342-F346 PolarHBondContact O-N 3.47Å
343	G	83.2	Confident	81.9	Confident	34 Å²	34	53 Å²	53	35%	0.351	28%	0.28	S	S	.	.	H	α-helix	trans	-57.5	-42.1	177.6	0	0	0	0	0	113.2	S339 V340 L341 F346 A347	S339-G343 PolarHBondContact O-N 3.03Å; V340-G343 PolarHBondContact O-N 3.39Å; L341-G343 VanDerWaalsContact C-N 3.34Å; L341-G343 PolarHBondContact O-N 3.32Å; G343-F346 PolarHBondContact O-N 3.26Å; G343-A347 WeakPolarHBondContact O-CB 3.35Å; G343-A347 PolarHBondContact O-N 2.92Å
344	Y	84.8	Confident	82.6	Confident	14 Å²	14	49.5 Å²	49.5	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-47.6	177	-176.1	-118.8	0	0	0	112.5	L75 A320 F324 L327 V340 L341 K342 F346 A347 L348	L75-Y344 WeakPolarHBondContact CD1-OH 3.27Å; A320-Y344 HydrophobicContact CB-CE2 4.24Å; A320-Y344 WeakPolarHBondContact O-CE2 3.49Å; A320-Y344 PolarHBondContact O-OH 3.45Å; F324-Y344 HydrophobicContact CD2-CE1 4.17Å; L327-Y344 HydrophobicContact CD1-CD1 4.39Å; L327-Y344 HydrophobicContact CD1-CD2 3.13Å; L327-Y344 HydrophobicContact CD1-CE2 3.63Å; L327-Y344 HydrophobicContact CD1-CG 3.57Å; V340-Y344 WeakPolarHBondContact O-CB 3.16Å; V340-Y344 PolarHBondContact O-N 3.29Å; L341-Y344 PolarHBondContact O-N 3.24Å; K342-Y344 VanDerWaalsContact C-N 3.32Å; K342-Y344 PolarHBondContact O-N 2.82Å; Y344-F346 PolarHBondContact O-N 3.4Å; Y344-A347 PolarHBondContact O-N 3.38Å; Y344-L348 HydrophobicContact CD1-CD1 4.17Å; Y344-L348 HydrophobicContact CE1-CD1 3.68Å; Y344-L348 HydrophobicContact CE1-CG 4.47Å; Y344-L348 HydrophobicContact CE2-CD1 4.42Å; Y344-L348 HydrophobicContact CE2-CG 4.4Å; Y344-L348 WeakPolarHBondContact O-CG 3.47Å; Y344-L348 PolarHBondContact O-N 2.91Å
345	V	84.6	Confident	83.3	Confident	45 Å²	45	49.2 Å²	49.2	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-41.6	177.4	178.5	0	0	0	0	111	P78 L341 K342 L348 M349	P78-V345 HydrophobicContact CB-CG2 4.39Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 2.83Å; K342-V345 PolarHBondContact O-N 3.24Å; V345-L348 PolarHBondContact O-N 2.86Å; V345-M349 HydrophobicContact CG1-CE 3.94Å; V345-M349 HydrophobicContact CG1-SD 4.38Å; V345-M349 WeakPolarHBondContact O-CG 3.27Å; V345-M349 PolarHBondContact O-N 3.34Å
346	F	84.5	Confident	84	Confident	58 Å²	58	44.6 Å²	44.6	25%	0.254	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-36.9	174.3	-83.5	-67.4	0	0	0	112.9	K342 G343 Y344 M349 W350 V410	K342-F346 HydrophobicContact CD-CD2 4.46Å; K342-F346 HydrophobicContact CD-CE2 4Å; K342-F346 HydrophobicContact CG-CD2 3.52Å; K342-F346 HydrophobicContact CG-CE2 3.41Å; K342-F346 VanDerWaalsContact CG-CE2 3.41Å; K342-F346 WeakPolarHBondContact O-CD2 3.31Å; K342-F346 PolarHBondContact O-N 3.47Å; G343-F346 PolarHBondContact O-N 3.26Å; Y344-F346 PolarHBondContact O-N 3.4Å; F346-M349 HydrophobicContact CB-CE 4.43Å; F346-M349 HydrophobicContact CD1-CE 3.35Å; F346-M349 HydrophobicContact CE1-CE 3.57Å; F346-M349 HydrophobicContact CG-CE 3.88Å; F346-M349 HydrophobicContact CZ-CE 4.22Å; F346-M349 PolarHBondContact O-N 3.27Å; F346-W350 VanDerWaalsContact O-CB 3.28Å; F346-W350 WeakPolarHBondContact O-CB 3.31Å; F346-W350 PolarHBondContact O-N 2.73Å; F346-V410 HydrophobicContact CB-CG1 4.34Å; F346-V410 HydrophobicContact CD1-CG1 3.51Å; F346-V410 WeakPolarHBondContact CD1-O 3.24Å; F346-V410 HydrophobicContact CE1-CG1 4.32Å; F346-V410 VanDerWaalsContact CE1-O 3.26Å; F346-V410 WeakPolarHBondContact CE1-O 3.27Å; F346-V410 HydrophobicContact CG-CG1 4.41Å; F346-V410 WeakPolarHBondContact O-CG1 3.19Å
347	A	83.2	Confident	84.6	Confident	31 Å²	31	41.7 Å²	41.7	26%	0.256	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-40.8	174.8	0	0	0	0	0	111.8	G343 Y344 W350 L351	G343-A347 WeakPolarHBondContact O-CB 3.35Å; G343-A347 PolarHBondContact O-N 2.92Å; Y344-A347 PolarHBondContact O-N 3.38Å; A347-W350 WeakPolarHBondContact O-CB 3.35Å; A347-W350 PolarHBondContact O-N 2.65Å; A347-L351 WeakPolarHBondContact O-CG 3.24Å; A347-L351 PolarHBondContact O-N 3.45Å; A347-L351 VanDerWaalsContact O-N 3.1Å
348	L	87.2	Confident	84.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-44.8	174	-68	177.9	0	0	0	111.7	P78 L79 T82 A320 Y344 V345 W350 L351 Q352	P78-L348 HydrophobicContact CB-CD1 3.9Å; L79-L348 HydrophobicContact CD1-CD2 3.94Å; T82-L348 HydrophobicContact CG2-CB 4.2Å; A320-L348 HydrophobicContact CB-CD2 3.89Å; Y344-L348 HydrophobicContact CD1-CD1 4.17Å; Y344-L348 HydrophobicContact CE1-CD1 3.68Å; Y344-L348 HydrophobicContact CE1-CG 4.47Å; Y344-L348 HydrophobicContact CE2-CD1 4.42Å; Y344-L348 HydrophobicContact CE2-CG 4.4Å; Y344-L348 WeakPolarHBondContact O-CG 3.47Å; Y344-L348 PolarHBondContact O-N 2.91Å; V345-L348 PolarHBondContact O-N 2.86Å; L348-W350 VanDerWaalsContact C-N 3.3Å; L348-W350 PolarHBondContact O-N 2.82Å; L348-L351 PolarHBondContact O-N 3.5Å; L348-Q352 WeakPolarHBondContact O-CB 3.28Å; L348-Q352 VanDerWaalsContact O-CG 3.27Å; L348-Q352 WeakPolarHBondContact O-CG 3.44Å; L348-Q352 PolarHBondContact O-N 3.14Å
349	M	85.9	Confident	85.1	Confident	66 Å²	66	35.4 Å²	35.4	33%	0.325	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-39.3	175.4	-73.4	-173.4	-61.1	0	0	112.2	T82 V345 F346 Q352 T353 V410	T82-M349 HydrophobicContact CG2-CG 3.75Å; V345-M349 HydrophobicContact CG1-CE 3.94Å; V345-M349 HydrophobicContact CG1-SD 4.38Å; V345-M349 WeakPolarHBondContact O-CG 3.27Å; V345-M349 PolarHBondContact O-N 3.34Å; F346-M349 HydrophobicContact CB-CE 4.43Å; F346-M349 HydrophobicContact CD1-CE 3.35Å; F346-M349 HydrophobicContact CE1-CE 3.57Å; F346-M349 HydrophobicContact CG-CE 3.88Å; F346-M349 HydrophobicContact CZ-CE 4.22Å; F346-M349 PolarHBondContact O-N 3.27Å; M349-Q352 PolarHBondContact O-N 2.93Å; M349-T353 PolarHBondContact O-N 3.44Å; M349-T353 PolarHBondContact O-OG1 3.22Å; M349-V410 HydrophobicContact CB-CG1 4.03Å; M349-V410 HydrophobicContact CB-CG2 4.43Å
350	W	86.1	Confident	85.4	Confident	41 Å²	41	34.4 Å²	34.4	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-51.5	174.2	172	52.8	0	0	0	111.8	F346 A347 L348 Q352 T353 W354 P403 S406 W407 V410	F346-W350 VanDerWaalsContact O-CB 3.28Å; F346-W350 WeakPolarHBondContact O-CB 3.31Å; F346-W350 PolarHBondContact O-N 2.73Å; A347-W350 WeakPolarHBondContact O-CB 3.35Å; A347-W350 PolarHBondContact O-N 2.65Å; L348-W350 VanDerWaalsContact C-N 3.3Å; L348-W350 PolarHBondContact O-N 2.82Å; W350-Q352 VanDerWaalsContact C-N 3.32Å; W350-Q352 PolarHBondContact O-N 2.8Å; W350-T353 PolarHBondContact O-N 3.42Å; W350-W354 AromaticContact CD1-NE1 3.91Å; W350-W354 AromaticContact CE2-NE1 3.72Å; W350-W354 HydrophobicContact CH2-CZ2 4Å; W350-W354 AromaticContact CZ2-CZ2 3.7Å; W350-W354 HydrophobicContact CZ2-CZ2 3.7Å; W350-W354 AromaticContact NE1-NE1 3.5Å; W350-W354 PolarHBondContact O-NE1 3.28Å; W350-P403 HydrophobicContact CZ2-CB 4.18Å; W350-P403 PolarHBondContact NE1-O 2.88Å; W350-S406 VanDerWaalsContact CD1-C 3.41Å; W350-S406 PolarHBondContact NE1-OG 2.96Å; W350-W407 HydrophobicContact CB-CE3 4.47Å; W350-W407 VanDerWaalsContact CD1-CA 3.43Å; W350-W407 AromaticContact CD2-CE3 3.78Å; W350-W407 HydrophobicContact CD2-CE3 3.78Å; W350-W407 HydrophobicContact CD2-CZ3 4.31Å; W350-W407 AromaticContact CE2-CE3 3.96Å; W350-W407 HydrophobicContact CE3-CE3 4.25Å; W350-W407 HydrophobicContact CE3-CZ3 4.36Å; W350-W407 AromaticContact CG-CE3 3.87Å; W350-W407 HydrophobicContact CG-CE3 3.87Å; W350-V410 HydrophobicContact CB-CB 4.44Å; W350-V410 HydrophobicContact CB-CG1 4.26Å
351	L	86.7	Confident	85.5	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-36.2	178	-69.6	170.5	0	0	0	112.9	L316 A320 A347 L348 T353 W354	L316-L351 HydrophobicContact CB-CD1 4.08Å; L316-L351 HydrophobicContact CB-CD2 3.61Å; L316-L351 HydrophobicContact CD1-CD2 3.85Å; L316-L351 HydrophobicContact CG-CD2 4.4Å; A320-L351 HydrophobicContact CB-CD1 4.46Å; A347-L351 WeakPolarHBondContact O-CG 3.24Å; A347-L351 PolarHBondContact O-N 3.45Å; A347-L351 VanDerWaalsContact O-N 3.1Å; L348-L351 PolarHBondContact O-N 3.5Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.86Å; L351-W354 HydrophobicContact CD2-CZ2 4.18Å; L351-W354 PolarHBondContact O-N 3.42Å
352	Q	87.8	Confident	85.5	Confident	23 Å²	23	31.6 Å²	31.6	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-78.1	-10.6	179.6	-65.3	-62.7	-9	0	0	114	T83 L348 M349 W350 W354 P355	T83-Q352 PolarHBondContact OG1-NE2 3.28Å; T83-Q352 VanDerWaalsContact OG1-NE2 3.07Å; L348-Q352 WeakPolarHBondContact O-CB 3.28Å; L348-Q352 VanDerWaalsContact O-CG 3.27Å; L348-Q352 WeakPolarHBondContact O-CG 3.44Å; L348-Q352 PolarHBondContact O-N 3.14Å; M349-Q352 PolarHBondContact O-N 2.93Å; W350-Q352 VanDerWaalsContact C-N 3.32Å; W350-Q352 PolarHBondContact O-N 2.8Å; Q352-W354 VanDerWaalsContact C-N 3.34Å; Q352-P355 WeakPolarHBondContact O-CD 2.86Å
353	T	87.1	Confident	85.3	Confident	23 Å²	23	25.7 Å²	25.7	14%	0.141	14%	0.144	C	C	.	.	H	α-helix	trans	-79.6	-20.4	173.1	-55.4	0	0	0	0	111.6	M349 W350 L351 L356 L357 M409 V410	M349-T353 PolarHBondContact O-N 3.44Å; M349-T353 PolarHBondContact O-OG1 3.22Å; W350-T353 PolarHBondContact O-N 3.42Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 2.86Å; T353-L356 PolarHBondContact O-N 3.03Å; T353-L357 HydrophobicContact CG2-CD1 4.27Å; T353-L357 HydrophobicContact CG2-CG 4.43Å; T353-L357 PolarHBondContact O-N 3.47Å; T353-M409 HydrophobicContact CG2-CE 3.86Å; T353-M409 HydrophobicContact CG2-SD 3.82Å; T353-V410 WeakPolarHBondContact OG1-CG2 3.4Å
354	W	87.3	Confident	85.3	Confident	3 Å²	3	26.7 Å²	26.7	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-49.1	-176.6	-64.2	22	0	0	0	112.9	L309 V312 Q313 L316 W350 L351 Q352 L356 L357 Y358 I402 P403 S406	L309-W354 HydrophobicContact CD2-CH2 4.4Å; L309-W354 HydrophobicContact CD2-CZ3 3.8Å; V312-W354 HydrophobicContact CG1-CH2 4.12Å; V312-W354 HydrophobicContact CG1-CZ3 4.23Å; Q313-W354 HydrophobicContact CB-CD2 4.43Å; Q313-W354 HydrophobicContact CB-CE3 3.62Å; Q313-W354 HydrophobicContact CB-CZ3 3.86Å; Q313-W354 HydrophobicContact CG-CB 4.45Å; Q313-W354 HydrophobicContact CG-CD2 4.4Å; Q313-W354 HydrophobicContact CG-CE3 4.05Å; L316-W354 HydrophobicContact CD1-CH2 3.89Å; L316-W354 HydrophobicContact CD1-CZ2 4.3Å; W350-W354 AromaticContact CD1-NE1 3.91Å; W350-W354 AromaticContact CE2-NE1 3.72Å; W350-W354 HydrophobicContact CH2-CZ2 4Å; W350-W354 AromaticContact CZ2-CZ2 3.7Å; W350-W354 HydrophobicContact CZ2-CZ2 3.7Å; W350-W354 AromaticContact NE1-NE1 3.5Å; W350-W354 PolarHBondContact O-NE1 3.28Å; L351-W354 HydrophobicContact CD2-CZ2 4.18Å; L351-W354 PolarHBondContact O-N 3.42Å; Q352-W354 VanDerWaalsContact C-N 3.34Å; W354-L356 PolarHBondContact O-N 2.97Å; W354-L357 PolarHBondContact O-N 2.81Å; W354-L357 VanDerWaalsContact O-N 3.09Å; W354-Y358 HydrophobicContact CB-CD2 4.24Å; W354-Y358 HydrophobicContact CB-CE2 3.97Å; W354-Y358 HydrophobicContact CE3-CE2 4.38Å; W354-Y358 WeakPolarHBondContact O-CD2 3.41Å; W354-Y358 PolarHBondContact O-N 3.15Å; W354-I402 HydrophobicContact CB-CG2 3.95Å; W354-I402 HydrophobicContact CD2-CG2 4.39Å; W354-I402 HydrophobicContact CG-CG2 3.93Å; W354-P403 HydrophobicContact CD2-CG 4.44Å; W354-P403 HydrophobicContact CE3-CG 4.36Å; W354-P403 HydrophobicContact CH2-CB 3.8Å; W354-P403 HydrophobicContact CH2-CG 3.6Å; W354-P403 HydrophobicContact CZ2-CB 3.39Å; W354-P403 HydrophobicContact CZ2-CG 3.67Å; W354-P403 HydrophobicContact CZ3-CG 3.96Å; W354-S406 PolarHBondContact NE1-OG 2.69Å
355	P	84.7	Confident	85.1	Confident	27 Å²	27	26.9 Å²	26.9	18%	0.175	15%	0.151	C	C	.	.	H	α-helix	trans	-56.7	-35.7	179.7	-27.2	37.7	0	0	0	113.6	V90 Y105 Q352 Y358 A359	V90-P355 HydrophobicContact CG2-CB 3.82Å; Y105-P355 HydrophobicContact CE1-CB 4.36Å; Q352-P355 WeakPolarHBondContact O-CD 2.86Å; P355-Y358 PolarHBondContact O-N 2.94Å; P355-A359 WeakPolarHBondContact O-CB 3.37Å; P355-A359 PolarHBondContact O-N 2.92Å
356	L	86.6	Confident	84.7	Confident	30 Å²	30	24.8 Å²	24.8	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-47.3	175.7	178.4	63.3	0	0	0	111.6	M89 V90 T353 W354 Y358 A359 I360	M89-L356 HydrophobicContact CB-CD1 4.21Å; M89-L356 HydrophobicContact CB-CD2 4.28Å; M89-L356 HydrophobicContact SD-CD2 4.21Å; V90-L356 HydrophobicContact CG2-CB 4.26Å; T353-L356 PolarHBondContact O-N 3.03Å; W354-L356 PolarHBondContact O-N 2.97Å; L356-Y358 VanDerWaalsContact C-N 3.28Å; L356-Y358 PolarHBondContact O-N 3.45Å; L356-A359 PolarHBondContact O-N 3.2Å; L356-I360 HydrophobicContact CD1-CD1 4.38Å; L356-I360 HydrophobicContact CG-CD1 4.18Å; L356-I360 WeakPolarHBondContact O-CG1 3.37Å; L356-I360 PolarHBondContact O-N 3.04Å
357	L	87.6	Confident	84.5	Confident	30 Å²	30	27.5 Å²	27.5	16%	0.157	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-35.1	177.2	-69.6	175	0	0	0	111.8	T353 W354 I360 L361 I402 L405 M409	T353-L357 HydrophobicContact CG2-CD1 4.27Å; T353-L357 HydrophobicContact CG2-CG 4.43Å; T353-L357 PolarHBondContact O-N 3.47Å; W354-L357 PolarHBondContact O-N 2.81Å; W354-L357 VanDerWaalsContact O-N 3.09Å; L357-I360 PolarHBondContact O-N 3.29Å; L357-L361 WeakPolarHBondContact O-CB 3.26Å; L357-L361 PolarHBondContact O-N 2.9Å; L357-I402 HydrophobicContact CB-CD1 4.22Å; L357-I402 HydrophobicContact CB-CG1 4.08Å; L357-I402 HydrophobicContact CB-CG2 3.89Å; L357-I402 HydrophobicContact CD1-CG2 3.93Å; L357-L405 HydrophobicContact CD1-CB 4.34Å; L357-M409 HydrophobicContact CD1-SD 4.01Å; L357-M409 HydrophobicContact CD2-SD 3.94Å; L357-M409 HydrophobicContact CG-SD 4.29Å
358	Y	84.5	Confident	84.2	Confident	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-43.8	171.8	-78.8	-66.3	0	0	0	112.7	Y105 M110 L309 W354 P355 L356 I360 L361 N362 I402	Y105-Y358 VanDerWaalsContact CE2-CB 3.48Å; Y105-Y358 HydrophobicContact CE2-CD1 4.39Å; Y105-Y358 HydrophobicContact CE2-CG 4.02Å; Y105-Y358 AromaticContact CZ-CG 3.78Å; Y105-Y358 WeakPolarHBondContact OH-CB 3.38Å; Y105-Y358 WeakPolarHBondContact OH-CD2 3.36Å; M110-Y358 HydrophobicContact CE-CD1 3.84Å; M110-Y358 HydrophobicContact CE-CE1 4.42Å; M110-Y358 HydrophobicContact SD-CD1 3.83Å; M110-Y358 HydrophobicContact SD-CE1 4.14Å; L309-Y358 WeakPolarHBondContact CB-OH 3.19Å; L309-Y358 WeakPolarHBondContact CD1-OH 3.31Å; L309-Y358 WeakPolarHBondContact CG-OH 3.23Å; W354-Y358 HydrophobicContact CB-CD2 4.24Å; W354-Y358 HydrophobicContact CB-CE2 3.97Å; W354-Y358 HydrophobicContact CE3-CE2 4.38Å; W354-Y358 WeakPolarHBondContact O-CD2 3.41Å; W354-Y358 PolarHBondContact O-N 3.15Å; P355-Y358 PolarHBondContact O-N 2.94Å; L356-Y358 VanDerWaalsContact C-N 3.28Å; L356-Y358 PolarHBondContact O-N 3.45Å; Y358-I360 VanDerWaalsContact C-N 3.32Å; Y358-I360 PolarHBondContact O-N 3.21Å; Y358-L361 PolarHBondContact O-N 2.66Å; Y358-N362 WeakPolarHBondContact O-CB 3.11Å; Y358-N362 PolarHBondContact O-N 3.42Å; Y358-I402 HydrophobicContact CD1-CD1 3.45Å; Y358-I402 VanDerWaalsContact CD1-CD1 3.45Å; Y358-I402 HydrophobicContact CD2-CD1 4.17Å; Y358-I402 HydrophobicContact CE1-CD1 3.34Å; Y358-I402 HydrophobicContact CE2-CD1 4.06Å; Y358-I402 HydrophobicContact CE2-CG2 4.11Å; Y358-I402 HydrophobicContact CG-CD1 3.82Å
359	A	84	Confident	83.5	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-42.4	177.5	0	0	0	0	0	111.3	V90 Y93 Y105 P355 L356 N362 S363	V90-A359 HydrophobicContact CG1-CB 4.06Å; Y93-A359 HydrophobicContact CD1-CB 4.06Å; Y93-A359 HydrophobicContact CE1-CB 4.46Å; Y105-A359 HydrophobicContact CD1-CB 4.01Å; Y105-A359 HydrophobicContact CG-CB 4.39Å; P355-A359 WeakPolarHBondContact O-CB 3.37Å; P355-A359 PolarHBondContact O-N 2.92Å; L356-A359 PolarHBondContact O-N 3.2Å; A359-N362 PolarHBondContact O-N 2.55Å; A359-S363 WeakPolarHBondContact O-CB 3.39Å; A359-S363 PolarHBondContact O-N 2.93Å
360	I	86.6	Confident	83	Confident	67 Å²	67	33.3 Å²	33.3	34%	0.344	17%	0.165	S	C	.	.	H	α-helix	trans	-62.1	-49.3	175.2	-66.5	165.3	0	0	0	111	Y93 L356 L357 Y358 N362 S363 A364	Y93-I360 HydrophobicContact CD1-CG1 4.39Å; Y93-I360 HydrophobicContact CD2-CG1 4.08Å; Y93-I360 HydrophobicContact CE1-CG1 4.06Å; Y93-I360 HydrophobicContact CE2-CG1 3.72Å; Y93-I360 HydrophobicContact CG-CG1 4.41Å; L356-I360 HydrophobicContact CD1-CD1 4.38Å; L356-I360 HydrophobicContact CG-CD1 4.18Å; L356-I360 WeakPolarHBondContact O-CG1 3.37Å; L356-I360 PolarHBondContact O-N 3.04Å; L357-I360 PolarHBondContact O-N 3.29Å; Y358-I360 VanDerWaalsContact C-N 3.32Å; Y358-I360 PolarHBondContact O-N 3.21Å; I360-N362 VanDerWaalsContact C-N 3.35Å; I360-N362 PolarHBondContact O-N 3.45Å; I360-S363 PolarHBondContact O-N 2.62Å; I360-A364 WeakPolarHBondContact O-CB 3.21Å; I360-A364 PolarHBondContact O-N 2.9Å
361	L	85.3	Confident	82.5	Confident	22 Å²	22	37.8 Å²	37.8	12%	0.115	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-40.8	-179.2	-178.8	54.8	0	0	0	111.6	M110 L357 Y358 A364 M365 L398 I402	M110-L361 HydrophobicContact CE-CB 3.82Å; M110-L361 HydrophobicContact CE-CD2 3.36Å; M110-L361 HydrophobicContact CE-CG 3.4Å; M110-L361 VanDerWaalsContact CE-CG 3.4Å; L357-L361 WeakPolarHBondContact O-CB 3.26Å; L357-L361 PolarHBondContact O-N 2.9Å; Y358-L361 PolarHBondContact O-N 2.66Å; L361-A364 PolarHBondContact O-N 3.36Å; L361-M365 HydrophobicContact CD1-CE 3.9Å; L361-M365 HydrophobicContact CD1-CG 4Å; L361-M365 WeakPolarHBondContact O-CB 3.26Å; L361-M365 VanDerWaalsContact O-CG 3.23Å; L361-M365 WeakPolarHBondContact O-CG 3.23Å; L361-M365 PolarHBondContact O-N 2.99Å; L361-L398 HydrophobicContact CD1-CB 3.92Å; L361-L398 HydrophobicContact CD1-CD1 3.78Å; L361-L398 HydrophobicContact CD2-CB 3.72Å; L361-I402 HydrophobicContact CD2-CD1 4.14Å
362	N	83.2	Confident	81.6	Confident	2 Å²	2	41 Å²	41	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-45.2	175.6	-177.8	67.1	0	0	0	111.8	V103 Y105 M110 L111 Y358 A359 I360 M365 T366	V103-N362 PolarHBondContact O-ND2 3.14Å; Y105-N362 HydrophobicContact CD2-CB 4.33Å; Y105-N362 HydrophobicContact CG-CB 4.48Å; Y105-N362 PolarHBondContact N-ND2 2.77Å; M110-N362 WeakPolarHBondContact CA-OD1 3.48Å; L111-N362 PolarHBondContact N-OD1 2.97Å; Y358-N362 WeakPolarHBondContact O-CB 3.11Å; Y358-N362 PolarHBondContact O-N 3.42Å; A359-N362 PolarHBondContact O-N 2.55Å; I360-N362 VanDerWaalsContact C-N 3.35Å; I360-N362 PolarHBondContact O-N 3.45Å; N362-M365 PolarHBondContact O-N 3.11Å; N362-T366 WeakPolarHBondContact O-CB 3.17Å; N362-T366 PolarHBondContact O-N 2.81Å; N362-T366 PolarHBondContact O-OG1 2.96Å
363	S	81.6	Confident	80.5	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-47	176.7	-179.8	0	0	0	0	111.9	Y93 Q99 A359 I360 M365 T366 F367	Y93-S363 VanDerWaalsContact OH-CB 3.31Å; Y93-S363 WeakPolarHBondContact OH-CB 3Å; Y93-S363 PolarHBondContact OH-OG 3.48Å; Q99-S363 PolarHBondContact NE2-OG 2.99Å; A359-S363 WeakPolarHBondContact O-CB 3.39Å; A359-S363 PolarHBondContact O-N 2.93Å; I360-S363 PolarHBondContact O-N 2.62Å; S363-M365 PolarHBondContact O-N 3.23Å; S363-T366 PolarHBondContact O-N 3.39Å; S363-F367 VanDerWaalsContact O-CB 3.29Å; S363-F367 WeakPolarHBondContact O-CB 3.38Å; S363-F367 PolarHBondContact O-N 2.87Å
364	A	82.3	Confident	79.3	Confident	55 Å²	55	41.5 Å²	41.5	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-44.4	178.1	0	0	0	0	0	112.3	I360 L361 Y368	I360-A364 WeakPolarHBondContact O-CB 3.21Å; I360-A364 PolarHBondContact O-N 2.9Å; L361-A364 PolarHBondContact O-N 3.36Å; A364-Y368 WeakPolarHBondContact O-CB 3.47Å; A364-Y368 PolarHBondContact O-N 2.99Å
365	M	80.3	Confident	78.1	Confident	18 Å²	18	45.3 Å²	45.3	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-39.8	179.1	-71.5	-66.7	173.4	0	0	112.4	L111 L361 N362 S363 Y368 A369 L391 T394 A395 L398	L111-M365 HydrophobicContact CD1-CB 3.88Å; L111-M365 HydrophobicContact CD1-CG 4.24Å; L111-M365 HydrophobicContact CD2-CB 4.13Å; L111-M365 HydrophobicContact CG-CB 4.17Å; L361-M365 HydrophobicContact CD1-CE 3.9Å; L361-M365 HydrophobicContact CD1-CG 4Å; L361-M365 WeakPolarHBondContact O-CB 3.26Å; L361-M365 VanDerWaalsContact O-CG 3.23Å; L361-M365 WeakPolarHBondContact O-CG 3.23Å; L361-M365 PolarHBondContact O-N 2.99Å; N362-M365 PolarHBondContact O-N 3.11Å; S363-M365 PolarHBondContact O-N 3.23Å; M365-Y368 PolarHBondContact O-N 2.93Å; M365-A369 VanDerWaalsContact O-CB 3.25Å; M365-A369 WeakPolarHBondContact O-CB 3.3Å; M365-A369 PolarHBondContact O-N 3.45Å; M365-L391 HydrophobicContact SD-CD2 3.79Å; M365-T394 HydrophobicContact CE-CG2 3.79Å; M365-A395 HydrophobicContact CE-CB 4.29Å; M365-A395 HydrophobicContact CG-CB 3.92Å; M365-A395 HydrophobicContact SD-CB 4.23Å; M365-L398 HydrophobicContact CE-CD1 3.48Å; M365-L398 VanDerWaalsContact CE-CD1 3.48Å
366	T	77.3	Confident	76.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-42.4	175.7	-65	0	0	0	0	111.3	V103 Y244 F245 N362 S363 A369 K370	V103-T366 HydrophobicContact CB-CG2 3.84Å; V103-T366 HydrophobicContact CG1-CG2 4.13Å; V103-T366 HydrophobicContact CG2-CG2 4.14Å; Y244-T366 HydrophobicContact CD1-CG2 4.36Å; Y244-T366 HydrophobicContact CE1-CG2 3.45Å; Y244-T366 VanDerWaalsContact CE1-CG2 3.45Å; F245-T366 HydrophobicContact CE1-CG2 4.28Å; F245-T366 HydrophobicContact CZ-CG2 4.02Å; N362-T366 WeakPolarHBondContact O-CB 3.17Å; N362-T366 PolarHBondContact O-N 2.81Å; N362-T366 PolarHBondContact O-OG1 2.96Å; S363-T366 PolarHBondContact O-N 3.39Å; T366-A369 PolarHBondContact O-N 3.27Å; T366-K370 WeakPolarHBondContact O-CB 3.48Å; T366-K370 PolarHBondContact O-N 2.93Å
367	F	78.4	Confident	75.7	Confident	116 Å²	116	43.3 Å²	43.3	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-44.9	175.1	-177.4	-97.9	0	0	0	111.9	S363 K370 Q371	S363-F367 VanDerWaalsContact O-CB 3.29Å; S363-F367 WeakPolarHBondContact O-CB 3.38Å; S363-F367 PolarHBondContact O-N 2.87Å; F367-K370 PolarHBondContact O-N 3Å; F367-Q371 HydrophobicContact CE1-CG 4.27Å; F367-Q371 HydrophobicContact CZ-CG 4.46Å; F367-Q371 PolarHBondContact O-N 3.28Å
368	Y	77	Confident	74.3	Confident	120 Å²	120	43 Å²	43	47%	0.471	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-42.2	175.5	-176	-85.6	0	0	0	112.1	A364 M365 K370 Q371 N372 L391	A364-Y368 WeakPolarHBondContact O-CB 3.47Å; A364-Y368 PolarHBondContact O-N 2.99Å; M365-Y368 PolarHBondContact O-N 2.93Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; Y368-K370 PolarHBondContact O-N 3.34Å; Y368-Q371 PolarHBondContact O-N 3.24Å; Y368-N372 VanDerWaalsContact CD1-ND2 3.35Å; Y368-N372 WeakPolarHBondContact CD1-ND2 3.23Å; Y368-N372 WeakPolarHBondContact CE1-ND2 3.47Å; Y368-N372 VanDerWaalsContact CZ-ND2 3.33Å; Y368-N372 PolarHBondContact O-N 3.11Å; Y368-N372 PolarHBondContact O-ND2 3.41Å; Y368-L391 HydrophobicContact CD1-CD1 4.09Å; Y368-L391 HydrophobicContact CD1-CD2 3.26Å; Y368-L391 HydrophobicContact CD1-CG 4Å; Y368-L391 HydrophobicContact CE1-CD1 4.43Å; Y368-L391 HydrophobicContact CE1-CD2 3.8Å; Y368-L391 HydrophobicContact CE1-CG 4.2Å; Y368-L391 HydrophobicContact CG-CD2 4.17Å
369	A	74.3	Confident	72.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-41.9	176.1	0	0	0	0	0	111.9	F245 M365 T366 N372 G373 Y388 L391	F245-A369 HydrophobicContact CD1-CB 4.17Å; F245-A369 HydrophobicContact CE1-CB 3.55Å; F245-A369 HydrophobicContact CZ-CB 4.39Å; M365-A369 VanDerWaalsContact O-CB 3.25Å; M365-A369 WeakPolarHBondContact O-CB 3.3Å; M365-A369 PolarHBondContact O-N 3.45Å; T366-A369 PolarHBondContact O-N 3.27Å; A369-N372 CarbonylContact O-C 3.46Å; A369-N372 PolarHBondContact O-N 2.84Å; A369-G373 PolarHBondContact O-N 3.11Å; A369-G373 VanDerWaalsContact O-N 3.09Å; A369-Y388 HydrophobicContact CB-CD1 4.5Å; A369-Y388 HydrophobicContact CB-CE1 3.85Å; A369-L391 HydrophobicContact CB-CD1 3.72Å
370	K	74.8	Confident	71.7	Confident	98 Å²	98	47.2 Å²	47.2	43%	0.426	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-42.6	175.3	-179.5	173.4	-179.2	174	0	112.9	Y244 F245 T366 F367 Y368 N372 G373	Y244-K370 HydrophobicContact CD1-CD 4.2Å; Y244-K370 HydrophobicContact CD2-CD 4.43Å; Y244-K370 HydrophobicContact CE1-CB 3.97Å; Y244-K370 HydrophobicContact CE1-CD 3.66Å; Y244-K370 HydrophobicContact CE1-CG 4.28Å; Y244-K370 HydrophobicContact CE2-CD 3.98Å; Y244-K370 WeakPolarHBondContact O-CE 3.47Å; F245-K370 HydrophobicContact CD1-CB 4.19Å; F245-K370 HydrophobicContact CE1-CB 4.39Å; T366-K370 WeakPolarHBondContact O-CB 3.48Å; T366-K370 PolarHBondContact O-N 2.93Å; F367-K370 PolarHBondContact O-N 3Å; Y368-K370 VanDerWaalsContact C-N 3.35Å; Y368-K370 PolarHBondContact O-N 3.34Å; K370-N372 PolarHBondContact O-N 2.82Å; K370-G373 PolarHBondContact O-N 3.4Å
371	Q	74.6	Confident	70.5	Confident	135 Å²	135	44.1 Å²	44.1	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-63.5	-26.1	177.1	-76.1	-168.6	-9.9	0	0	113.1	F367 Y368	F367-Q371 HydrophobicContact CE1-CG 4.27Å; F367-Q371 HydrophobicContact CZ-CG 4.46Å; F367-Q371 PolarHBondContact O-N 3.28Å; Y368-Q371 PolarHBondContact O-N 3.24Å
372	N	68.6	Low	69.1	Low	73 Å²	73	46 Å²	46	39%	0.39	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	12	-179.5	-65.6	-67	0	0	0	113.4	Y368 A369 K370 A374	Y368-N372 VanDerWaalsContact CD1-ND2 3.35Å; Y368-N372 WeakPolarHBondContact CD1-ND2 3.23Å; Y368-N372 WeakPolarHBondContact CE1-ND2 3.47Å; Y368-N372 VanDerWaalsContact CZ-ND2 3.33Å; Y368-N372 PolarHBondContact O-N 3.11Å; Y368-N372 PolarHBondContact O-ND2 3.41Å; A369-N372 CarbonylContact O-C 3.46Å; A369-N372 PolarHBondContact O-N 2.84Å; K370-N372 PolarHBondContact O-N 2.82Å; N372-A374 PolarHBondContact O-N 3.43Å
373	G	63.8	Low	67.9	Low	28 Å²	28	50.8 Å²	50.8	29%	0.289	28%	0.276	S	S	.	.			trans	-72.1	119.9	-178.5	0	0	0	0	0	112.5	A369 K370	A369-G373 PolarHBondContact O-N 3.11Å; A369-G373 VanDerWaalsContact O-N 3.09Å; K370-G373 PolarHBondContact O-N 3.4Å
374	A	62.1	Low	67.1	Low	30 Å²	30	50.5 Å²	50.5	25%	0.248	27%	0.274	C	S	.	.			trans	-111.6	139.6	172.6	0	0	0	0	0	110.9	Y246 N372 V376 I384	Y246-A374 WeakPolarHBondContact CD1-O 3.41Å; Y246-A374 WeakPolarHBondContact CE1-O 3.38Å; N372-A374 PolarHBondContact O-N 3.43Å; A374-V376 PolarHBondContact O-N 3.33Å; A374-I384 VanDerWaalsContact O-CD1 3.3Å; A374-I384 WeakPolarHBondContact O-CD1 3.25Å
375	P	61.9	Low	66.1	Low	83 Å²	83	49.5 Å²	49.5	54%	0.539	26%	0.26	S	S	.	.			trans	-54.4	135.8	-177.2	22.8	-33	0	0	0	111.3	V377	P375-V377 PolarHBondContact O-N 3.11Å
376	V	59	Low	65.3	Low	2 Å²	2	52.1 Å²	52.1	1%	0.012	27%	0.274	C	S	.	.			trans	-64.2	99	179.2	-176.3	0	0	0	0	109.3	T121 Y242 Y246 K258 I262 A374 L381 I384	T121-V376 HydrophobicContact CG2-CG1 3.85Å; T121-V376 HydrophobicContact CG2-CG2 4.12Å; Y242-V376 HydrophobicContact CE1-CB 4.48Å; Y242-V376 HydrophobicContact CE1-CG2 3.74Å; Y246-V376 HydrophobicContact CD2-CG2 4.25Å; Y246-V376 HydrophobicContact CE1-CG2 4.48Å; Y246-V376 HydrophobicContact CE2-CG2 3.54Å; K258-V376 WeakPolarHBondContact CE-O 3.31Å; K258-V376 PolarHBondContact NZ-O 3.16Å; I262-V376 HydrophobicContact CD1-CG1 4.21Å; A374-V376 PolarHBondContact O-N 3.33Å; V376-L381 HydrophobicContact CG1-CD1 3.9Å; V376-I384 HydrophobicContact CB-CD1 4.5Å; V376-I384 HydrophobicContact CG2-CD1 4.24Å
377	V	62	Low	64.9	Low	12 Å²	12	57.2 Å²	57.2	7%	0.073	30%	0.296	C	S	.	.			trans	-127.5	160.2	174.3	-64.1	0	0	0	0	108.3	S160 P375 S379 E380 L381	S160-V377 WeakPolarHBondContact O-CG1 3.33Å; P375-V377 PolarHBondContact O-N 3.11Å; V377-S379 VanDerWaalsContact CG2-OG 3.32Å; V377-S379 WeakPolarHBondContact CG2-OG 3.29Å; V377-S379 PolarHBondContact O-N 3.11Å; V377-E380 HydrophobicContact CG2-CB 3.74Å; V377-E380 HydrophobicContact CG2-CG 3.73Å; V377-E380 PolarHBondContact O-N 3.39Å; V377-E380 VanDerWaalsContact O-N 3.13Å; V377-L381 PolarHBondContact O-N 3.27Å
378	L	57.9	Low	64.4	Low	23 Å²	23	52.2 Å²	52.2	12%	0.12	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.9	-173.1	179.1	66.4	0	0	0	111.9	M158 I262 K266 I269	M158-L378 HydrophobicContact CG-CD2 4.19Å; M158-L378 PolarHBondContact O-N 3.15Å; I262-L378 HydrophobicContact CG2-CB 4.3Å; I262-L378 HydrophobicContact CG2-CD1 3.73Å; K266-L378 HydrophobicContact CB-CD1 3.93Å; I269-L378 HydrophobicContact CD1-CD2 4.09Å
379	S	50.6	Low	63.8	Low	40 Å²	40	47.7 Å²	47.7	28%	0.28	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.2	174.2	54.9	0	0	0	0	114.2	M158 V377	M158-S379 PolarHBondContact O-N 3.41Å; M158-S379 VanDerWaalsContact O-N 3.07Å; M158-S379 PolarHBondContact O-OG 3.4Å; V377-S379 VanDerWaalsContact CG2-OG 3.32Å; V377-S379 WeakPolarHBondContact CG2-OG 3.29Å; V377-S379 PolarHBondContact O-N 3.11Å
380	E	64.7	Low	63.5	Low	55 Å²	55	50.2 Å²	50.2	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.1	-176.1	-68.7	-60.5	150.8	0	0	113.1	V377 S382 Q383 I384	V377-E380 HydrophobicContact CG2-CB 3.74Å; V377-E380 HydrophobicContact CG2-CG 3.73Å; V377-E380 PolarHBondContact O-N 3.39Å; V377-E380 VanDerWaalsContact O-N 3.13Å; E380-S382 VanDerWaalsContact C-N 3.31Å; E380-S382 PolarHBondContact O-N 2.86Å; E380-Q383 PolarHBondContact O-N 2.91Å; E380-Q383 VanDerWaalsContact O-N 3.12Å; E380-Q383 WeakPolarHBondContact OE2-CB 3.5Å; E380-Q383 PolarHBondContact OE2-NE2 3.06Å; E380-Q383 PolarHBondContact OE2-OE1 3.39Å; E380-I384 HydrophobicContact CB-CD1 3.99Å; E380-I384 HydrophobicContact CB-CG1 4.38Å; E380-I384 WeakPolarHBondContact O-CB 3.21Å; E380-I384 VanDerWaalsContact O-CG1 3.23Å; E380-I384 WeakPolarHBondContact O-CG1 3.27Å; E380-I384 PolarHBondContact O-N 3.18Å
381	L	61.3	Low	63.4	Low	2 Å²	2	46 Å²	46	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-57.3	-43.8	-174.8	-164.5	74.3	0	0	0	112.4	T121 I262 K266 V376 V377 Q385	T121-L381 HydrophobicContact CG2-CD1 3.99Å; I262-L381 HydrophobicContact CG2-CD1 4.11Å; I262-L381 HydrophobicContact CG2-CD2 3.7Å; I262-L381 HydrophobicContact CG2-CG 4.41Å; K266-L381 HydrophobicContact CD-CD2 3.96Å; V376-L381 HydrophobicContact CG1-CD1 3.9Å; V377-L381 PolarHBondContact O-N 3.27Å; L381-Q385 WeakPolarHBondContact O-CB 3.23Å; L381-Q385 VanDerWaalsContact O-CG 3.27Å; L381-Q385 WeakPolarHBondContact O-CG 3.38Å; L381-Q385 PolarHBondContact O-N 2.67Å
382	S	56.1	Low	63.1	Low	61 Å²	61	39.8 Å²	39.8	43%	0.427	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-42.4	177.4	55.5	0	0	0	0	111.5	E380 Q385 L386	E380-S382 VanDerWaalsContact C-N 3.31Å; E380-S382 PolarHBondContact O-N 2.86Å; S382-Q385 PolarHBondContact O-N 3.18Å; S382-L386 WeakPolarHBondContact O-CB 3.18Å; S382-L386 WeakPolarHBondContact O-CD1 3.36Å; S382-L386 PolarHBondContact O-N 3.22Å
383	Q	57.6	Low	63.1	Low	102 Å²	102	36.7 Å²	36.7	48%	0.477	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-42.5	177.6	-66.3	-165.6	46.7	0	0	111.9	E380 L386 K387	E380-Q383 PolarHBondContact O-N 2.91Å; E380-Q383 VanDerWaalsContact O-N 3.12Å; E380-Q383 WeakPolarHBondContact OE2-CB 3.5Å; E380-Q383 PolarHBondContact OE2-NE2 3.06Å; E380-Q383 PolarHBondContact OE2-OE1 3.39Å; Q383-L386 PolarHBondContact O-N 2.88Å; Q383-K387 VanDerWaalsContact O-CB 3.29Å; Q383-K387 WeakPolarHBondContact O-CB 3.36Å; Q383-K387 WeakPolarHBondContact O-CG 3.31Å; Q383-K387 PolarHBondContact O-N 3.37Å
384	I	63.9	Low	63.6	Low	6 Å²	6	38.5 Å²	38.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-50.5	175	-68.7	165.6	0	0	0	109.3	Y246 A374 V376 E380 L386 K387 Y388	Y246-I384 WeakPolarHBondContact OH-CG2 3.47Å; A374-I384 VanDerWaalsContact O-CD1 3.3Å; A374-I384 WeakPolarHBondContact O-CD1 3.25Å; V376-I384 HydrophobicContact CB-CD1 4.5Å; V376-I384 HydrophobicContact CG2-CD1 4.24Å; E380-I384 HydrophobicContact CB-CD1 3.99Å; E380-I384 HydrophobicContact CB-CG1 4.38Å; E380-I384 WeakPolarHBondContact O-CB 3.21Å; E380-I384 VanDerWaalsContact O-CG1 3.23Å; E380-I384 WeakPolarHBondContact O-CG1 3.27Å; E380-I384 PolarHBondContact O-N 3.18Å; I384-L386 PolarHBondContact O-N 3.31Å; I384-K387 PolarHBondContact O-N 3.47Å; I384-Y388 HydrophobicContact CG2-CD2 3.69Å; I384-Y388 HydrophobicContact CG2-CE2 3.86Å; I384-Y388 WeakPolarHBondContact O-CB 3.37Å; I384-Y388 VanDerWaalsContact O-CD2 3.25Å; I384-Y388 WeakPolarHBondContact O-CD2 3.46Å; I384-Y388 PolarHBondContact O-N 3.37Å
385	Q	61.4	Low	64.2	Low	34 Å²	34	37.1 Å²	37.1	16%	0.159	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-45.2	177.6	-73.7	177.8	-18.2	0	0	112.4	T121 D122 L381 S382 S389	T121-Q385 PolarHBondContact OG1-NE2 3.01Å; D122-Q385 PolarHBondContact OD1-NE2 3.03Å; L381-Q385 WeakPolarHBondContact O-CB 3.23Å; L381-Q385 VanDerWaalsContact O-CG 3.27Å; L381-Q385 WeakPolarHBondContact O-CG 3.38Å; L381-Q385 PolarHBondContact O-N 2.67Å; S382-Q385 PolarHBondContact O-N 3.18Å; Q385-S389 WeakPolarHBondContact O-CB 3.47Å; Q385-S389 PolarHBondContact O-N 3.26Å
386	L	64.5	Low	64.8	Low	73 Å²	73	33.1 Å²	33.1	38%	0.382	18%	0.179	S	C	.	.	H	α-helix	trans	-61.4	-51.1	176.3	-94.1	99.3	0	0	0	112.3	R295 S382 Q383 I384 Y388 S389 D390	R295-L386 VanDerWaalsContact NH1-CG 3.28Å; R295-L386 PolarHBondContact NH1-O 3.46Å; S382-L386 WeakPolarHBondContact O-CB 3.18Å; S382-L386 WeakPolarHBondContact O-CD1 3.36Å; S382-L386 PolarHBondContact O-N 3.22Å; Q383-L386 PolarHBondContact O-N 2.88Å; I384-L386 PolarHBondContact O-N 3.31Å; L386-Y388 PolarHBondContact O-N 3.3Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; L386-S389 PolarHBondContact O-N 2.61Å; L386-D390 WeakPolarHBondContact O-CB 3.25Å; L386-D390 VanDerWaalsContact O-CG 3.22Å; L386-D390 PolarHBondContact O-N 2.81Å
387	K	68.8	Low	65.4	Low	108 Å²	108	37.1 Å²	37.1	47%	0.47	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-43.3	-175.3	-72.5	-72.9	-176.5	179.9	0	112.3	Q383 I384 D390 L391	Q383-K387 VanDerWaalsContact O-CB 3.29Å; Q383-K387 WeakPolarHBondContact O-CB 3.36Å; Q383-K387 WeakPolarHBondContact O-CG 3.31Å; Q383-K387 PolarHBondContact O-N 3.37Å; I384-K387 PolarHBondContact O-N 3.47Å; K387-D390 PolarHBondContact O-N 3.4Å; K387-L391 WeakPolarHBondContact O-CB 3.44Å; K387-L391 WeakPolarHBondContact O-CG 3.16Å; K387-L391 PolarHBondContact O-N 3.24Å
388	Y	67.9	Low	66.2	Low	10 Å²	10	39.9 Å²	39.9	4%	0.039	21%	0.208	C	C	.	.	H	α-helix	trans	-74.6	-32.1	178.2	-79.2	-84.1	0	0	0	112.3	A114 V118 A369 I384 L386 L391 A392	A114-Y388 HydrophobicContact CB-CD1 3.82Å; A114-Y388 HydrophobicContact CB-CE1 3.84Å; V118-Y388 HydrophobicContact CG2-CD1 4.34Å; V118-Y388 HydrophobicContact CG2-CD2 4.35Å; V118-Y388 HydrophobicContact CG2-CG 3.75Å; A369-Y388 HydrophobicContact CB-CD1 4.5Å; A369-Y388 HydrophobicContact CB-CE1 3.85Å; I384-Y388 HydrophobicContact CG2-CD2 3.69Å; I384-Y388 HydrophobicContact CG2-CE2 3.86Å; I384-Y388 WeakPolarHBondContact O-CB 3.37Å; I384-Y388 VanDerWaalsContact O-CD2 3.25Å; I384-Y388 WeakPolarHBondContact O-CD2 3.46Å; I384-Y388 PolarHBondContact O-N 3.37Å; L386-Y388 PolarHBondContact O-N 3.3Å; Y388-L391 HydrophobicContact CD1-CD1 4.23Å; Y388-L391 WeakPolarHBondContact O-CB 3.15Å; Y388-L391 PolarHBondContact O-N 3.45Å; Y388-A392 WeakPolarHBondContact O-CB 3.46Å; Y388-A392 PolarHBondContact O-N 3.19Å
389	S	64.4	Low	67.2	Low	25 Å²	25	38.8 Å²	38.8	18%	0.175	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-42.9	169.3	-178.8	0	0	0	0	111.4	V299 Q385 L386 L391 A392 S393	V299-S389 WeakPolarHBondContact CG2-OG 3.45Å; Q385-S389 WeakPolarHBondContact O-CB 3.47Å; Q385-S389 PolarHBondContact O-N 3.26Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; L386-S389 PolarHBondContact O-N 2.61Å; S389-L391 VanDerWaalsContact C-N 3.34Å; S389-A392 PolarHBondContact O-N 2.87Å; S389-S393 WeakPolarHBondContact O-CB 3.38Å; S389-S393 PolarHBondContact O-N 3.37Å
390	D	67.5	Low	68.4	Low	54 Å²	54	37 Å²	37	29%	0.289	19%	0.19	S	C	.	.	H	α-helix	trans	-68.7	-33.6	176.9	-68.8	-8.7	0	0	0	112	R295 L386 K387 S393 T394	R295-D390 VanDerWaalsContact CD-OD1 3.28Å; R295-D390 WeakPolarHBondContact CD-OD1 3.34Å; R295-D390 WeakPolarHBondContact CG-OD1 3.48Å; R295-D390 IonicContact CZ-OD1 2.72Å; R295-D390 IonicContact NE-OD1 3.7Å; R295-D390 IonicContact NH1-OD1 2.76Å; R295-D390 PolarHBondContact NH1-OD1 2.7Å; R295-D390 IonicContact NH1-OD2 3.37Å; R295-D390 PolarHBondContact NH1-OD2 2.91Å; L386-D390 WeakPolarHBondContact O-CB 3.25Å; L386-D390 VanDerWaalsContact O-CG 3.22Å; L386-D390 PolarHBondContact O-N 2.81Å; K387-D390 PolarHBondContact O-N 3.4Å; D390-S393 WeakPolarHBondContact CA-OG 3.45Å; D390-S393 PolarHBondContact O-OG 3.26Å; D390-T394 WeakPolarHBondContact O-CB 3.39Å; D390-T394 PolarHBondContact O-N 2.82Å; D390-T394 PolarHBondContact O-OG1 2.69Å
391	L	72.7	Confident	69	Low	11 Å²	11	35.9 Å²	35.9	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-46.7	170.5	-86.9	161.6	0	0	0	111.7	M365 Y368 A369 K387 Y388 S389 T394 A395	M365-L391 HydrophobicContact SD-CD2 3.79Å; Y368-L391 HydrophobicContact CD1-CD1 4.09Å; Y368-L391 HydrophobicContact CD1-CD2 3.26Å; Y368-L391 HydrophobicContact CD1-CG 4Å; Y368-L391 HydrophobicContact CE1-CD1 4.43Å; Y368-L391 HydrophobicContact CE1-CD2 3.8Å; Y368-L391 HydrophobicContact CE1-CG 4.2Å; Y368-L391 HydrophobicContact CG-CD2 4.17Å; A369-L391 HydrophobicContact CB-CD1 3.72Å; K387-L391 WeakPolarHBondContact O-CB 3.44Å; K387-L391 WeakPolarHBondContact O-CG 3.16Å; K387-L391 PolarHBondContact O-N 3.24Å; Y388-L391 HydrophobicContact CD1-CD1 4.23Å; Y388-L391 WeakPolarHBondContact O-CB 3.15Å; Y388-L391 PolarHBondContact O-N 3.45Å; S389-L391 VanDerWaalsContact C-N 3.34Å; L391-T394 PolarHBondContact O-N 3.39Å; L391-A395 WeakPolarHBondContact O-CB 3.23Å; L391-A395 PolarHBondContact O-N 2.85Å
392	A	68.5	Low	70.1	Confident	3 Å²	3	36 Å²	36	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-43.9	176.1	0	0	0	0	0	111.3	M306 Y388 S389 T394 A395 G396	M306-A392 HydrophobicContact CE-CB 3.79Å; M306-A392 WeakPolarHBondContact CE-O 3.48Å; Y388-A392 WeakPolarHBondContact O-CB 3.46Å; Y388-A392 PolarHBondContact O-N 3.19Å; S389-A392 PolarHBondContact O-N 2.87Å; A392-T394 PolarHBondContact O-N 2.81Å; A392-A395 PolarHBondContact O-N 2.75Å; A392-G396 PolarHBondContact O-N 2.79Å
393	S	68.8	Low	71.4	Confident	8 Å²	8	33.3 Å²	33.3	6%	0.056	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-46.5	177.7	70.8	0	0	0	0	112	H298 V299 S389 D390 G396 Y397	H298-S393 VanDerWaalsContact C-CB 3.42Å; H298-S393 WeakPolarHBondContact O-CA 3.32Å; H298-S393 WeakPolarHBondContact O-CB 3.09Å; V299-S393 VanDerWaalsContact CA-CB 3.49Å; S389-S393 WeakPolarHBondContact O-CB 3.38Å; S389-S393 PolarHBondContact O-N 3.37Å; D390-S393 WeakPolarHBondContact CA-OG 3.45Å; D390-S393 PolarHBondContact O-OG 3.26Å; S393-G396 PolarHBondContact O-N 2.98Å; S393-Y397 WeakPolarHBondContact O-CB 3.29Å; S393-Y397 PolarHBondContact O-N 2.99Å
394	T	73.1	Confident	72.3	Confident	67 Å²	67	28.6 Å²	28.6	41%	0.411	15%	0.145	S	C	.	.	H	α-helix	trans	-66.1	-42.4	179.3	-52.4	0	0	0	0	110.9	M365 D390 L391 A392 Y397 L398	M365-T394 HydrophobicContact CE-CG2 3.79Å; D390-T394 WeakPolarHBondContact O-CB 3.39Å; D390-T394 PolarHBondContact O-N 2.82Å; D390-T394 PolarHBondContact O-OG1 2.69Å; L391-T394 PolarHBondContact O-N 3.39Å; A392-T394 PolarHBondContact O-N 2.81Å; T394-Y397 PolarHBondContact O-N 2.9Å; T394-L398 HydrophobicContact CG2-CD1 4.17Å; T394-L398 WeakPolarHBondContact O-CB 3.15Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 3.39Å
395	A	76.4	Confident	73.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-44.9	177.2	0	0	0	0	0	112.2	L111 M306 M365 L391 A392 L398 S399	L111-A395 HydrophobicContact CD1-CB 3.37Å; L111-A395 HydrophobicContact CD2-CB 4.46Å; M306-A395 HydrophobicContact CE-CB 4.33Å; M306-A395 HydrophobicContact SD-CB 4.47Å; M365-A395 HydrophobicContact CE-CB 4.29Å; M365-A395 HydrophobicContact CG-CB 3.92Å; M365-A395 HydrophobicContact SD-CB 4.23Å; L391-A395 WeakPolarHBondContact O-CB 3.23Å; L391-A395 PolarHBondContact O-N 2.85Å; A392-A395 PolarHBondContact O-N 2.75Å; A395-L398 PolarHBondContact O-N 2.85Å; A395-S399 WeakPolarHBondContact O-CB 3.28Å; A395-S399 PolarHBondContact O-N 2.92Å; A395-S399 PolarHBondContact O-OG 2.62Å
396	G	73.4	Confident	74.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-75.4	-30.2	178.8	0	0	0	0	0	113.1	T305 A392 S393 S399 A400	T305-G396 VanDerWaalsContact CG2-O 3.32Å; T305-G396 WeakPolarHBondContact CG2-O 3.5Å; A392-G396 PolarHBondContact O-N 2.79Å; S393-G396 PolarHBondContact O-N 2.98Å; G396-S399 WeakPolarHBondContact O-CB 3.14Å; G396-S399 PolarHBondContact O-N 3.4Å; G396-A400 PolarHBondContact O-N 3.26Å
397	Y	71.5	Confident	74.8	Confident	86 Å²	86	30.2 Å²	30.2	34%	0.337	15%	0.15	S	C	.	.	H	α-helix	trans	-61.1	-46.6	168.1	179.8	-97.5	0	0	0	111.8	S393 T394 S399 A400 M401	S393-Y397 WeakPolarHBondContact O-CB 3.29Å; S393-Y397 PolarHBondContact O-N 2.99Å; T394-Y397 PolarHBondContact O-N 2.9Å; Y397-S399 VanDerWaalsContact C-N 3.3Å; Y397-S399 PolarHBondContact O-N 2.8Å; Y397-A400 WeakPolarHBondContact O-CB 3.3Å; Y397-A400 PolarHBondContact O-N 3.16Å; Y397-M401 HydrophobicContact CE2-CE 4.48Å
398	L	79.3	Confident	75.2	Confident	69 Å²	69	28.6 Å²	28.6	36%	0.361	15%	0.145	S	C	.	.	H	α-helix	trans	-67.5	-31.9	175.4	-71	175.3	0	0	0	112.2	L361 M365 T394 A395 A400 M401	L361-L398 HydrophobicContact CD1-CB 3.92Å; L361-L398 HydrophobicContact CD1-CD1 3.78Å; L361-L398 HydrophobicContact CD2-CB 3.72Å; M365-L398 HydrophobicContact CE-CD1 3.48Å; M365-L398 VanDerWaalsContact CE-CD1 3.48Å; T394-L398 HydrophobicContact CG2-CD1 4.17Å; T394-L398 WeakPolarHBondContact O-CB 3.15Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 3.39Å; A395-L398 PolarHBondContact O-N 2.85Å; L398-A400 VanDerWaalsContact C-N 3.29Å; L398-A400 PolarHBondContact O-N 3.12Å; L398-M401 VanDerWaalsContact O-CB 3.27Å; L398-M401 WeakPolarHBondContact O-CB 3.02Å; L398-M401 PolarHBondContact O-N 3.1Å
399	S	79.5	Confident	75.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-37.9	174.3	-63.1	0	0	0	0	111.6	M110 L309 A395 G396 Y397 M401 I402	M110-S399 WeakPolarHBondContact CE-OG 3.15Å; M110-S399 PolarHBondContact SD-OG 3.41Å; L309-S399 VanDerWaalsContact CD1-C 3.45Å; L309-S399 WeakPolarHBondContact CD1-O 3.42Å; A395-S399 WeakPolarHBondContact O-CB 3.28Å; A395-S399 PolarHBondContact O-N 2.92Å; A395-S399 PolarHBondContact O-OG 2.62Å; G396-S399 WeakPolarHBondContact O-CB 3.14Å; G396-S399 PolarHBondContact O-N 3.4Å; Y397-S399 VanDerWaalsContact C-N 3.3Å; Y397-S399 PolarHBondContact O-N 2.8Å; S399-M401 PolarHBondContact O-N 2.47Å; S399-M401 VanDerWaalsContact O-N 3.1Å; S399-I402 VanDerWaalsContact O-CB 3.27Å; S399-I402 WeakPolarHBondContact O-CB 3.35Å; S399-I402 PolarHBondContact O-N 2.77Å
400	A	75.1	Confident	76.2	Confident	4 Å²	4	33.6 Å²	33.6	3%	0.033	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.2	174.1	0	0	0	0	0	113.4	T305 G396 Y397 L398 F424	T305-A400 HydrophobicContact CG2-CB 4.14Å; G396-A400 PolarHBondContact O-N 3.26Å; Y397-A400 WeakPolarHBondContact O-CB 3.3Å; Y397-A400 PolarHBondContact O-N 3.16Å; L398-A400 VanDerWaalsContact C-N 3.29Å; L398-A400 PolarHBondContact O-N 3.12Å; A400-F424 HydrophobicContact CB-CD1 4.08Å; A400-F424 HydrophobicContact CB-CE1 3.67Å; A400-F424 WeakPolarHBondContact O-CD1 3.33Å
401	M	77.3	Confident	76.2	Confident	30 Å²	30	36.9 Å²	36.9	15%	0.148	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.1	176.3	-53.7	-62.3	122.6	0	0	113.2	Y397 L398 S399 P404 L405 Y421	Y397-M401 HydrophobicContact CE2-CE 4.48Å; L398-M401 VanDerWaalsContact O-CB 3.27Å; L398-M401 WeakPolarHBondContact O-CB 3.02Å; L398-M401 PolarHBondContact O-N 3.1Å; S399-M401 PolarHBondContact O-N 2.47Å; S399-M401 VanDerWaalsContact O-N 3.1Å; M401-P404 VanDerWaalsContact O-CD 3.31Å; M401-P404 WeakPolarHBondContact O-CD 3.35Å; M401-L405 HydrophobicContact CB-CD1 3.94Å; M401-L405 HydrophobicContact CB-CG 4.45Å; M401-L405 VanDerWaalsContact O-CB 3.28Å; M401-L405 WeakPolarHBondContact O-CB 3.4Å; M401-L405 WeakPolarHBondContact O-CD1 3.46Å; M401-L405 WeakPolarHBondContact O-CG 3.45Å; M401-L405 PolarHBondContact O-N 3.41Å; M401-Y421 HydrophobicContact CE-CD2 4.44Å; M401-Y421 HydrophobicContact CE-CE2 3.69Å; M401-Y421 HydrophobicContact SD-CD2 4.01Å; M401-Y421 HydrophobicContact SD-CE2 3.37Å; M401-Y421 WeakPolarHBondContact SD-CE2 3.36Å
402	I	84.6	Confident	75.6	Confident	5 Å²	5	38 Å²	38	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-46.1	-177.2	-69.6	173.9	0	0	0	112.7	W354 L357 Y358 L361 S399 L405 S406	W354-I402 HydrophobicContact CB-CG2 3.95Å; W354-I402 HydrophobicContact CD2-CG2 4.39Å; W354-I402 HydrophobicContact CG-CG2 3.93Å; L357-I402 HydrophobicContact CB-CD1 4.22Å; L357-I402 HydrophobicContact CB-CG1 4.08Å; L357-I402 HydrophobicContact CB-CG2 3.89Å; L357-I402 HydrophobicContact CD1-CG2 3.93Å; Y358-I402 HydrophobicContact CD1-CD1 3.45Å; Y358-I402 VanDerWaalsContact CD1-CD1 3.45Å; Y358-I402 HydrophobicContact CD2-CD1 4.17Å; Y358-I402 HydrophobicContact CE1-CD1 3.34Å; Y358-I402 HydrophobicContact CE2-CD1 4.06Å; Y358-I402 HydrophobicContact CE2-CG2 4.11Å; Y358-I402 HydrophobicContact CG-CD1 3.82Å; L361-I402 HydrophobicContact CD2-CD1 4.14Å; S399-I402 VanDerWaalsContact O-CB 3.27Å; S399-I402 WeakPolarHBondContact O-CB 3.35Å; S399-I402 PolarHBondContact O-N 2.77Å; I402-L405 PolarHBondContact O-N 3.34Å; I402-S406 WeakPolarHBondContact O-CB 3.28Å; I402-S406 PolarHBondContact O-N 3.26Å; I402-S406 PolarHBondContact O-OG 3.29Å
403	P	82.5	Confident	74.5	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-46.5	179.2	-20.7	31.1	0	0	0	113.5	L309 W350 W354 S406 W407	L309-P403 HydrophobicContact CD2-CG 3.86Å; W350-P403 HydrophobicContact CZ2-CB 4.18Å; W350-P403 PolarHBondContact NE1-O 2.88Å; W354-P403 HydrophobicContact CD2-CG 4.44Å; W354-P403 HydrophobicContact CE3-CG 4.36Å; W354-P403 HydrophobicContact CH2-CB 3.8Å; W354-P403 HydrophobicContact CH2-CG 3.6Å; W354-P403 HydrophobicContact CZ2-CB 3.39Å; W354-P403 HydrophobicContact CZ2-CG 3.67Å; W354-P403 HydrophobicContact CZ3-CG 3.96Å; P403-S406 WeakPolarHBondContact CA-OG 3.39Å; P403-S406 PolarHBondContact O-OG 3.2Å; P403-W407 PolarHBondContact O-N 3.37Å
404	P	77.7	Confident	73.6	Confident	2 Å²	2	47 Å²	47	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-41.6	173.8	-24	35.3	0	0	0	113.9	M401 W407 M408 F417 Y421	M401-P404 VanDerWaalsContact O-CD 3.31Å; M401-P404 WeakPolarHBondContact O-CD 3.35Å; P404-W407 WeakPolarHBondContact O-CB 3.46Å; P404-W407 PolarHBondContact O-N 3.48Å; P404-M408 PolarHBondContact O-N 2.7Å; P404-M408 VanDerWaalsContact O-N 3.1Å; P404-F417 HydrophobicContact CB-CD2 3.86Å; P404-F417 HydrophobicContact CB-CE2 3.41Å; P404-F417 VanDerWaalsContact CB-CE2 3.41Å; P404-F417 HydrophobicContact CB-CZ 4.22Å; P404-Y421 HydrophobicContact CG-CD2 4.46Å
405	L	81.2	Confident	72.5	Confident	80 Å²	80	48.8 Å²	48.8	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-44.8	180	-74.5	170.7	0	0	0	112	L357 M401 I402 W407 M408 M409	L357-L405 HydrophobicContact CD1-CB 4.34Å; M401-L405 HydrophobicContact CB-CD1 3.94Å; M401-L405 HydrophobicContact CB-CG 4.45Å; M401-L405 VanDerWaalsContact O-CB 3.28Å; M401-L405 WeakPolarHBondContact O-CB 3.4Å; M401-L405 WeakPolarHBondContact O-CD1 3.46Å; M401-L405 WeakPolarHBondContact O-CG 3.45Å; M401-L405 PolarHBondContact O-N 3.41Å; I402-L405 PolarHBondContact O-N 3.34Å; L405-W407 VanDerWaalsContact C-N 3.27Å; L405-W407 PolarHBondContact O-N 3.18Å; L405-M408 WeakPolarHBondContact O-CB 3.36Å; L405-M408 PolarHBondContact O-N 3.5Å; L405-M409 WeakPolarHBondContact O-CG 3.15Å; L405-M409 PolarHBondContact O-N 3.45Å
406	S	83.1	Confident	71.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-34.7	175.4	51.4	0	0	0	0	112.2	W350 W354 I402 P403 M408 M409 V410	W350-S406 VanDerWaalsContact CD1-C 3.41Å; W350-S406 PolarHBondContact NE1-OG 2.96Å; W354-S406 PolarHBondContact NE1-OG 2.69Å; I402-S406 WeakPolarHBondContact O-CB 3.28Å; I402-S406 PolarHBondContact O-N 3.26Å; I402-S406 PolarHBondContact O-OG 3.29Å; P403-S406 WeakPolarHBondContact CA-OG 3.39Å; P403-S406 PolarHBondContact O-OG 3.2Å; S406-M408 VanDerWaalsContact C-N 3.35Å; S406-M409 PolarHBondContact O-N 3.05Å; S406-V410 WeakPolarHBondContact O-CB 3.39Å; S406-V410 WeakPolarHBondContact O-CG2 3.09Å; S406-V410 PolarHBondContact O-N 3.08Å
407	W	78.3	Confident	70.1	Confident	67 Å²	67	54.2 Å²	54.2	25%	0.254	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.8	-176.7	-93.6	0	0	0	111	W350 P403 P404 L405 M409 V410 K411	W350-W407 HydrophobicContact CB-CE3 4.47Å; W350-W407 VanDerWaalsContact CD1-CA 3.43Å; W350-W407 AromaticContact CD2-CE3 3.78Å; W350-W407 HydrophobicContact CD2-CE3 3.78Å; W350-W407 HydrophobicContact CD2-CZ3 4.31Å; W350-W407 AromaticContact CE2-CE3 3.96Å; W350-W407 HydrophobicContact CE3-CE3 4.25Å; W350-W407 HydrophobicContact CE3-CZ3 4.36Å; W350-W407 AromaticContact CG-CE3 3.87Å; W350-W407 HydrophobicContact CG-CE3 3.87Å; P403-W407 PolarHBondContact O-N 3.37Å; P404-W407 WeakPolarHBondContact O-CB 3.46Å; P404-W407 PolarHBondContact O-N 3.48Å; L405-W407 VanDerWaalsContact C-N 3.27Å; L405-W407 PolarHBondContact O-N 3.18Å; W407-M409 VanDerWaalsContact C-N 3.31Å; W407-M409 PolarHBondContact O-N 2.91Å; W407-V410 PolarHBondContact O-N 3.18Å; W407-K411 HydrophobicContact CH2-CD 4.17Å; W407-K411 HydrophobicContact CZ2-CD 3.61Å; W407-K411 HydrophobicContact CZ2-CG 4.41Å; W407-K411 PolarHBondContact O-N 2.88Å
408	M	75.3	Confident	69.2	Low	75 Å²	75	54.1 Å²	54.1	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-38.1	174.9	-179.6	179.5	147.5	0	0	112	P404 L405 S406 G412 L413	P404-M408 PolarHBondContact O-N 2.7Å; P404-M408 VanDerWaalsContact O-N 3.1Å; L405-M408 WeakPolarHBondContact O-CB 3.36Å; L405-M408 PolarHBondContact O-N 3.5Å; S406-M408 VanDerWaalsContact C-N 3.35Å; M408-G412 CarbonylContact O-C 3.54Å; M408-G412 WeakPolarHBondContact O-CA 3.28Å; M408-G412 PolarHBondContact O-N 2.83Å; M408-L413 HydrophobicContact CE-CD1 4.29Å; M408-L413 HydrophobicContact CE-CD2 3.49Å; M408-L413 VanDerWaalsContact CE-CD2 3.49Å; M408-L413 HydrophobicContact CE-CG 3.79Å; M408-L413 HydrophobicContact CG-CD2 4.09Å; M408-L413 HydrophobicContact CG-CG 4.28Å; M408-L413 HydrophobicContact SD-CD2 3.61Å; M408-L413 HydrophobicContact SD-CG 4.3Å
409	M	78.9	Confident	68.1	Low	113 Å²	113	53.6 Å²	53.6	56%	0.557	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-38.9	175.9	-68.7	173.6	69.2	0	0	112.6	T353 L357 L405 S406 W407	T353-M409 HydrophobicContact CG2-CE 3.86Å; T353-M409 HydrophobicContact CG2-SD 3.82Å; L357-M409 HydrophobicContact CD1-SD 4.01Å; L357-M409 HydrophobicContact CD2-SD 3.94Å; L357-M409 HydrophobicContact CG-SD 4.29Å; L405-M409 WeakPolarHBondContact O-CG 3.15Å; L405-M409 PolarHBondContact O-N 3.45Å; S406-M409 PolarHBondContact O-N 3.05Å; W407-M409 VanDerWaalsContact C-N 3.31Å; W407-M409 PolarHBondContact O-N 2.91Å
410	V	75.9	Confident	66.7	Low	26 Å²	26	56.1 Å²	56.1	16%	0.158	33%	0.334	C	S	.	.	H	α-helix	trans	-88.7	-32.8	-170.7	171	0	0	0	0	113.2	F346 M349 W350 T353 S406 W407	F346-V410 HydrophobicContact CB-CG1 4.34Å; F346-V410 HydrophobicContact CD1-CG1 3.51Å; F346-V410 WeakPolarHBondContact CD1-O 3.24Å; F346-V410 HydrophobicContact CE1-CG1 4.32Å; F346-V410 VanDerWaalsContact CE1-O 3.26Å; F346-V410 WeakPolarHBondContact CE1-O 3.27Å; F346-V410 HydrophobicContact CG-CG1 4.41Å; F346-V410 WeakPolarHBondContact O-CG1 3.19Å; M349-V410 HydrophobicContact CB-CG1 4.03Å; M349-V410 HydrophobicContact CB-CG2 4.43Å; W350-V410 HydrophobicContact CB-CB 4.44Å; W350-V410 HydrophobicContact CB-CG1 4.26Å; T353-V410 WeakPolarHBondContact OG1-CG2 3.4Å; S406-V410 WeakPolarHBondContact O-CB 3.39Å; S406-V410 WeakPolarHBondContact O-CG2 3.09Å; S406-V410 PolarHBondContact O-N 3.08Å; W407-V410 PolarHBondContact O-N 3.18Å
411	K	67	Low	65.8	Low	124 Å²	124	60 Å²	60	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-107.9	-4.8	177.4	-85.5	-153.1	-177.8	-179.1	0	115.3	W407	W407-K411 HydrophobicContact CH2-CD 4.17Å; W407-K411 HydrophobicContact CZ2-CD 3.61Å; W407-K411 HydrophobicContact CZ2-CG 4.41Å; W407-K411 PolarHBondContact O-N 2.88Å
412	G	59.3	Low	64.7	Low	35 Å²	35	61.2 Å²	61.2	36%	0.361	36%	0.36	S	S	.	.			trans	77.2	171.6	-171.1	0	0	0	0	0	112.9	M408 G414	M408-G412 CarbonylContact O-C 3.54Å; M408-G412 WeakPolarHBondContact O-CA 3.28Å; M408-G412 PolarHBondContact O-N 2.83Å; G412-G414 VanDerWaalsContact C-N 3.25Å; G412-G414 PolarHBondContact O-N 3.49Å
413	L	45.6	Very low	63.6	Low	156 Å²	156	67.5 Å²	67.5	82%	0.817	39%	0.389	S	S	*	.	S	Bend	trans	-62.2	76.8	176.7	-79.4	161.6	0	0	0	111.8	M408	M408-L413 HydrophobicContact CE-CD1 4.29Å; M408-L413 HydrophobicContact CE-CD2 3.49Å; M408-L413 VanDerWaalsContact CE-CD2 3.49Å; M408-L413 HydrophobicContact CE-CG 3.79Å; M408-L413 HydrophobicContact CG-CD2 4.09Å; M408-L413 HydrophobicContact CG-CG 4.28Å; M408-L413 HydrophobicContact SD-CD2 3.61Å; M408-L413 HydrophobicContact SD-CG 4.3Å
414	G	50	Low	62.5	Low	44 Å²	44	69.7 Å²	69.7	45%	0.454	40%	0.398	S	S	.	.			trans	-111.9	159.4	177.3	0	0	0	0	0	113.1	G412 G416	G412-G414 VanDerWaalsContact C-N 3.25Å; G412-G414 PolarHBondContact O-N 3.49Å; G414-G416 PolarHBondContact O-N 3.35Å
415	A	50.6	Low	61.4	Low	104 Å²	104	70.1 Å²	70.1	86%	0.86	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	1.2	-172	0	0	0	0	0	117.3
416	G	51.9	Low	60.2	Low	28 Å²	28	69.3 Å²	69.3	29%	0.289	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-4.1	-179.5	0	0	0	0	0	115.4	G414 S419	G414-G416 PolarHBondContact O-N 3.35Å; G416-S419 PolarHBondContact O-OG 3.08Å
417	F	48.4	Very low	58.9	Low	86 Å²	86	73.1 Å²	73.1	38%	0.377	43%	0.43	S	S	.	.	H	α-helix	trans	-67.7	-42.4	-176.3	177.8	-98.9	0	0	0	113.1	P404 S419 V420 Y421	P404-F417 HydrophobicContact CB-CD2 3.86Å; P404-F417 HydrophobicContact CB-CE2 3.41Å; P404-F417 VanDerWaalsContact CB-CE2 3.41Å; P404-F417 HydrophobicContact CB-CZ 4.22Å; F417-S419 PolarHBondContact O-N 3.47Å; F417-V420 PolarHBondContact O-N 3.07Å; F417-Y421 HydrophobicContact CZ-CD2 4.47Å; F417-Y421 WeakPolarHBondContact O-CB 3.22Å; F417-Y421 PolarHBondContact O-N 3.02Å; F417-Y421 VanDerWaalsContact O-N 3.08Å
418	S	51.4	Low	57.7	Low	83 Å²	83	71 Å²	71	58%	0.58	43%	0.425	S	S	*	.	H	α-helix	trans	-66.8	-36.1	-172.5	54	0	0	0	0	113.3	S422	S418-S422 WeakPolarHBondContact O-CB 3.43Å; S418-S422 PolarHBondContact O-N 3.37Å; S418-S422 PolarHBondContact O-OG 3.38Å
419	S	56.8	Low	56.8	Low	58 Å²	58	70.7 Å²	70.7	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-75.1	-38.7	-179.6	59	0	0	0	0	112.7	G416 F417 S422 H423	G416-S419 PolarHBondContact O-OG 3.08Å; F417-S419 PolarHBondContact O-N 3.47Å; S419-S422 PolarHBondContact O-OG 3.24Å; S419-H423 PolarHBondContact O-CD2 2.64Å; S419-H423 PolarHBondContact O-N 3.44Å
420	V	50.8	Low	55.5	Low	54 Å²	54	69.2 Å²	69.2	33%	0.327	43%	0.425	S	S	.	.	H	α-helix	trans	-71.7	-40.3	179	179	0	0	0	0	110.8	F417 F424	F417-V420 PolarHBondContact O-N 3.07Å; V420-F424 WeakPolarHBondContact O-CB 3.33Å; V420-F424 PolarHBondContact O-N 3.03Å; V420-F424 VanDerWaalsContact O-N 3.15Å
421	Y	54.8	Low	54.3	Low	84 Å²	84	71.7 Å²	71.7	33%	0.329	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-47.8	175.2	176	-88.9	0	0	0	112	M401 P404 F417 H423 F424 A425	M401-Y421 HydrophobicContact CE-CD2 4.44Å; M401-Y421 HydrophobicContact CE-CE2 3.69Å; M401-Y421 HydrophobicContact SD-CD2 4.01Å; M401-Y421 HydrophobicContact SD-CE2 3.37Å; M401-Y421 WeakPolarHBondContact SD-CE2 3.36Å; P404-Y421 HydrophobicContact CG-CD2 4.46Å; F417-Y421 HydrophobicContact CZ-CD2 4.47Å; F417-Y421 WeakPolarHBondContact O-CB 3.22Å; F417-Y421 PolarHBondContact O-N 3.02Å; F417-Y421 VanDerWaalsContact O-N 3.08Å; Y421-H423 PolarHBondContact O-N 2.84Å; Y421-F424 PolarHBondContact O-N 3.08Å; Y421-A425 HydrophobicContact CD1-CB 4.43Å; Y421-A425 HydrophobicContact CE1-CB 4.1Å; Y421-A425 WeakPolarHBondContact O-CB 3.23Å; Y421-A425 PolarHBondContact O-N 3.08Å
422	S	55.5	Low	53.7	Low	57 Å²	57	66.5 Å²	66.5	40%	0.399	42%	0.42	S	S	.	.	H	α-helix	trans	-64.7	-38.3	-175.7	62.1	0	0	0	0	112.5	S418 S419 S426	S418-S422 WeakPolarHBondContact O-CB 3.43Å; S418-S422 PolarHBondContact O-N 3.37Å; S418-S422 PolarHBondContact O-OG 3.38Å; S419-S422 PolarHBondContact O-OG 3.24Å; S422-S426 VanDerWaalsContact O-CB 3.26Å; S422-S426 WeakPolarHBondContact O-CB 3.21Å; S422-S426 PolarHBondContact O-N 2.86Å; S422-S426 PolarHBondContact O-OG 3.41Å
423	H	60.5	Low	53.5	Low	137 Å²	137	67.1 Å²	67.1	63%	0.634	42%	0.422	S	S	*	.	H	α-helix	trans	-70	-36.7	176.2	-76.8	-59.4	0	0	0	113.1	S419 Y421 S426 S427	S419-H423 PolarHBondContact O-CD2 2.64Å; S419-H423 PolarHBondContact O-N 3.44Å; Y421-H423 PolarHBondContact O-N 2.84Å; H423-S426 PolarHBondContact O-OG 2.98Å; H423-S427 WeakPolarHBondContact O-CB 3.44Å; H423-S427 PolarHBondContact O-N 3.48Å; H423-S427 PolarHBondContact O-OG 3.35Å
424	F	58.7	Low	54	Low	50 Å²	50	63.7 Å²	63.7	22%	0.219	41%	0.411	C	S	.	.	H	α-helix	trans	-77	-39.2	179.4	-161.2	-92.1	0	0	0	112.4	L309 A400 V420 Y421 S427 S428	L309-F424 HydrophobicContact CD1-CE1 4.47Å; L309-F424 HydrophobicContact CD1-CZ 4.26Å; L309-F424 HydrophobicContact CD2-CE1 4.31Å; L309-F424 HydrophobicContact CD2-CE2 3.99Å; L309-F424 HydrophobicContact CD2-CZ 3.44Å; L309-F424 VanDerWaalsContact CD2-CZ 3.44Å; L309-F424 HydrophobicContact CG-CZ 3.99Å; A400-F424 HydrophobicContact CB-CD1 4.08Å; A400-F424 HydrophobicContact CB-CE1 3.67Å; A400-F424 WeakPolarHBondContact O-CD1 3.33Å; V420-F424 WeakPolarHBondContact O-CB 3.33Å; V420-F424 PolarHBondContact O-N 3.03Å; V420-F424 VanDerWaalsContact O-N 3.15Å; Y421-F424 PolarHBondContact O-N 3.08Å; F424-S427 PolarHBondContact O-OG 3.47Å; F424-S428 PolarHBondContact O-OG 3.31Å
425	A	55.5	Low	54.2	Low	12 Å²	12	63.9 Å²	63.9	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-67.3	-47.1	176.8	0	0	0	0	0	111.5	Y421 S427 S428 I429	Y421-A425 HydrophobicContact CD1-CB 4.43Å; Y421-A425 HydrophobicContact CE1-CB 4.1Å; Y421-A425 WeakPolarHBondContact O-CB 3.23Å; Y421-A425 PolarHBondContact O-N 3.08Å; A425-S427 PolarHBondContact O-N 3.05Å; A425-S428 PolarHBondContact O-N 3.36Å; A425-S428 PolarHBondContact O-OG 3.12Å; A425-I429 HydrophobicContact CB-CD1 4.08Å; A425-I429 WeakPolarHBondContact O-CB 3.1Å; A425-I429 VanDerWaalsContact O-CD1 3.23Å; A425-I429 WeakPolarHBondContact O-CD1 3.46Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 2.92Å; A425-I429 VanDerWaalsContact O-N 3.15Å
426	S	56.6	Low	54.3	Low	62 Å²	62	59.3 Å²	59.3	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-37.5	-177.5	55.2	0	0	0	0	113.7	S422 H423 S428 S430	S422-S426 VanDerWaalsContact O-CB 3.26Å; S422-S426 WeakPolarHBondContact O-CB 3.21Å; S422-S426 PolarHBondContact O-N 2.86Å; S422-S426 PolarHBondContact O-OG 3.41Å; H423-S426 PolarHBondContact O-OG 2.98Å; S426-S428 VanDerWaalsContact C-N 3.3Å; S426-S428 PolarHBondContact O-N 3.25Å; S426-S430 PolarHBondContact O-N 3.2Å; S426-S430 PolarHBondContact O-OG 3.26Å
427	S	56	Low	54.3	Low	80 Å²	80	58.7 Å²	58.7	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-71.1	-22.1	-177	52.9	0	0	0	0	114.3	H423 F424 A425	H423-S427 WeakPolarHBondContact O-CB 3.44Å; H423-S427 PolarHBondContact O-N 3.48Å; H423-S427 PolarHBondContact O-OG 3.35Å; F424-S427 PolarHBondContact O-OG 3.47Å; A425-S427 PolarHBondContact O-N 3.05Å
428	S	53.3	Low	54.6	Low	22 Å²	22	56.6 Å²	56.6	15%	0.154	36%	0.36	C	S	.	.	H	α-helix	trans	-99.9	-31.9	-179.9	51.9	0	0	0	0	113.4	F424 A425 S426 T432	F424-S428 PolarHBondContact O-OG 3.31Å; A425-S428 PolarHBondContact O-N 3.36Å; A425-S428 PolarHBondContact O-OG 3.12Å; S426-S428 VanDerWaalsContact C-N 3.3Å; S426-S428 PolarHBondContact O-N 3.25Å; S428-T432 PolarHBondContact O-OG1 2.93Å
429	I	54.4	Low	54.7	Low	70 Å²	70	55.7 Å²	55.7	36%	0.359	35%	0.351	S	S	.	.	H	α-helix	trans	-78.5	-43.5	-174.7	-64.7	167.2	0	0	0	112.2	I301 A425 T432 A433	I301-I429 HydrophobicContact CD1-CB 4.44Å; I301-I429 HydrophobicContact CD1-CG1 4.01Å; A425-I429 HydrophobicContact CB-CD1 4.08Å; A425-I429 WeakPolarHBondContact O-CB 3.1Å; A425-I429 VanDerWaalsContact O-CD1 3.23Å; A425-I429 WeakPolarHBondContact O-CD1 3.46Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 2.92Å; A425-I429 VanDerWaalsContact O-N 3.15Å; I429-T432 PolarHBondContact O-N 3.5Å; I429-A433 WeakPolarHBondContact O-CB 3.35Å; I429-A433 PolarHBondContact O-N 2.93Å
430	S	52.3	Low	54.5	Low	81 Å²	81	54.3 Å²	54.3	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-45.8	-168.3	-59.5	0	0	0	0	115.2	S426 T432	S426-S430 PolarHBondContact O-N 3.2Å; S426-S430 PolarHBondContact O-OG 3.26Å; S430-T432 VanDerWaalsContact C-N 3.31Å; S430-T432 PolarHBondContact O-N 2.98Å
431	P	50.9	Low	54.6	Low	78 Å²	78	56.1 Å²	56.1	51%	0.506	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-37.5	178.3	-16.6	30.7	0	0	0	111.3	S434 A435	P431-S434 PolarHBondContact O-N 3.45Å; P431-S434 PolarHBondContact O-OG 2.88Å; P431-A435 PolarHBondContact O-N 3.41Å
432	T	55	Low	54.4	Low	16 Å²	16	54.5 Å²	54.5	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-75	-36.6	-172	-44.9	0	0	0	0	112.8	A297 S300 I301 S428 I429 S430 S434 A436	A297-T432 WeakPolarHBondContact O-CG2 3.1Å; S300-T432 WeakPolarHBondContact OG-CG2 3.5Å; I301-T432 HydrophobicContact CG1-CG2 3.8Å; S428-T432 PolarHBondContact O-OG1 2.93Å; I429-T432 PolarHBondContact O-N 3.5Å; S430-T432 VanDerWaalsContact C-N 3.31Å; S430-T432 PolarHBondContact O-N 2.98Å; T432-S434 VanDerWaalsContact C-N 3.34Å; T432-A436 WeakPolarHBondContact O-CB 3.16Å; T432-A436 PolarHBondContact O-N 3.31Å
433	A	53.9	Low	54.1	Low	48 Å²	48	54.9 Å²	54.9	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-37	173.8	0	0	0	0	0	112.4	I429 G437	I429-A433 WeakPolarHBondContact O-CB 3.35Å; I429-A433 PolarHBondContact O-N 2.93Å; A433-G437 PolarHBondContact O-N 2.87Å; A433-G437 VanDerWaalsContact O-N 3.08Å
434	S	57	Low	53.4	Low	84 Å²	84	54.6 Å²	54.6	59%	0.587	35%	0.349	S	S	*	.	H	α-helix	trans	-68.2	-41.4	178.2	69.9	0	0	0	0	112.6	P431 T432 G437 S438	P431-S434 PolarHBondContact O-N 3.45Å; P431-S434 PolarHBondContact O-OG 2.88Å; T432-S434 VanDerWaalsContact C-N 3.34Å; S434-G437 PolarHBondContact O-N 3.29Å; S434-S438 PolarHBondContact O-N 2.82Å
435	A	52.9	Low	52.8	Low	48 Å²	48	55.6 Å²	55.6	40%	0.397	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-42.6	176.1	0	0	0	0	0	111.9	P431 G437 S438 V439	P431-A435 PolarHBondContact O-N 3.41Å; A435-G437 VanDerWaalsContact C-N 3.3Å; A435-G437 PolarHBondContact O-N 3.3Å; A435-S438 PolarHBondContact O-N 3.39Å; A435-S438 PolarHBondContact O-OG 3.44Å; A435-V439 WeakPolarHBondContact O-CG2 3.42Å; A435-V439 PolarHBondContact O-N 2.99Å; A435-V439 VanDerWaalsContact O-N 3.12Å
436	A	53.9	Low	52.3	Low	7 Å²	7	63.9 Å²	63.9	6%	0.058	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-38	176.5	0	0	0	0	0	112.3	K293 L296 A297 T432 V439 V440	K293-A436 WeakPolarHBondContact O-CB 3.4Å; L296-A436 HydrophobicContact CB-CB 3.94Å; A297-A436 HydrophobicContact CB-CB 3.92Å; T432-A436 WeakPolarHBondContact O-CB 3.16Å; T432-A436 PolarHBondContact O-N 3.31Å; A436-V439 PolarHBondContact O-N 3.15Å; A436-V440 VanDerWaalsContact O-CG2 3.27Å; A436-V440 WeakPolarHBondContact O-CG2 3.2Å; A436-V440 PolarHBondContact O-N 3.41Å; A436-V440 VanDerWaalsContact O-N 3.08Å
437	G	51.9	Low	51.9	Low	16 Å²	16	64.7 Å²	64.7	17%	0.165	41%	0.41	C	S	.	.	H	α-helix	trans	-57.2	-49	173.1	0	0	0	0	0	112.9	A433 S434 A435 V439 V440 D441	A433-G437 PolarHBondContact O-N 2.87Å; A433-G437 VanDerWaalsContact O-N 3.08Å; S434-G437 PolarHBondContact O-N 3.29Å; A435-G437 VanDerWaalsContact C-N 3.3Å; A435-G437 PolarHBondContact O-N 3.3Å; G437-V439 PolarHBondContact O-N 3.05Å; G437-V440 PolarHBondContact O-N 3.5Å; G437-D441 WeakPolarHBondContact O-CB 3.5Å; G437-D441 PolarHBondContact O-N 2.78Å
438	S	53.9	Low	51.4	Low	42 Å²	42	68.6 Å²	68.6	29%	0.294	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-35.8	-179.6	64.6	0	0	0	0	113.9	S434 A435 G442 N443	S434-S438 PolarHBondContact O-N 2.82Å; A435-S438 PolarHBondContact O-N 3.39Å; A435-S438 PolarHBondContact O-OG 3.44Å; S438-G442 PolarHBondContact O-N 3.22Å; S438-N443 PolarHBondContact O-N 3.24Å
439	V	54	Low	50.8	Low	64 Å²	64	74.2 Å²	74.2	39%	0.388	45%	0.45	S	S	.	.	H	α-helix	trans	-72.7	-40.2	179.9	172.7	0	0	0	0	111.2	L296 A435 A436 G437 G442 Y444	L296-V439 HydrophobicContact CD1-CG1 4.36Å; A435-V439 WeakPolarHBondContact O-CG2 3.42Å; A435-V439 PolarHBondContact O-N 2.99Å; A435-V439 VanDerWaalsContact O-N 3.12Å; A436-V439 PolarHBondContact O-N 3.15Å; G437-V439 PolarHBondContact O-N 3.05Å; V439-G442 PolarHBondContact O-N 3.47Å; V439-Y444 HydrophobicContact CG2-CE1 4.42Å
440	V	52.7	Low	50.5	Low	28 Å²	28	74.8 Å²	74.8	17%	0.17	45%	0.451	C	S	.	.	H	α-helix	trans	-77.7	-32.9	-178.4	-179.4	0	0	0	0	112.8	S289 E292 K293 L296 A436 G437 G442	S289-V440 WeakPolarHBondContact O-CG1 3.28Å; S289-V440 VanDerWaalsContact OG-CG1 3.31Å; S289-V440 WeakPolarHBondContact OG-CG1 3.14Å; E292-V440 HydrophobicContact CB-CG1 4.15Å; E292-V440 HydrophobicContact CB-CG2 4.13Å; K293-V440 HydrophobicContact CB-CG2 4.36Å; K293-V440 HydrophobicContact CD-CB 4.4Å; K293-V440 HydrophobicContact CG-CB 3.48Å; K293-V440 VanDerWaalsContact CG-CB 3.48Å; K293-V440 HydrophobicContact CG-CG1 3.77Å; K293-V440 HydrophobicContact CG-CG2 3.68Å; L296-V440 HydrophobicContact CD1-CG2 3.2Å; L296-V440 HydrophobicContact CG-CG2 4.47Å; A436-V440 VanDerWaalsContact O-CG2 3.27Å; A436-V440 WeakPolarHBondContact O-CG2 3.2Å; A436-V440 PolarHBondContact O-N 3.41Å; A436-V440 VanDerWaalsContact O-N 3.08Å; G437-V440 PolarHBondContact O-N 3.5Å; V440-G442 PolarHBondContact O-N 3.07Å
441	D	52.6	Low	50	Low	93 Å²	93	76.3 Å²	76.3	50%	0.497	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.8	175.1	-68.2	-29.9	0	0	0	112.7	K293 G437 N443	K293-D441 WeakPolarHBondContact CE-OD1 3.43Å; K293-D441 VanDerWaalsContact CE-OD2 3.26Å; K293-D441 WeakPolarHBondContact CE-OD2 3.13Å; K293-D441 IonicContact NZ-OD1 3.76Å; K293-D441 PolarHBondContact NZ-OD1 3.22Å; K293-D441 IonicContact NZ-OD2 3.53Å; K293-D441 PolarHBondContact NZ-OD2 3.13Å; G437-D441 WeakPolarHBondContact O-CB 3.5Å; G437-D441 PolarHBondContact O-N 2.78Å; D441-N443 HydrophobicContact CB-CB 4.33Å; D441-N443 PolarHBondContact O-N 2.72Å
442	G	50.6	Low	49.9	Very low	50 Å²	50	81.7 Å²	81.7	52%	0.515	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	6.6	-176.3	0	0	0	0	0	114.1	S438 V439 V440 Y444	S438-G442 PolarHBondContact O-N 3.22Å; V439-G442 PolarHBondContact O-N 3.47Å; V440-G442 PolarHBondContact O-N 3.07Å; G442-Y444 PolarHBondContact O-N 3.21Å; G442-Y444 VanDerWaalsContact O-N 3.08Å
443	N	48.6	Very low	49.5	Very low	64 Å²	64	84.7 Å²	84.7	34%	0.342	49%	0.491	S	S	.	.			trans	-89.3	72.5	-173.5	-171	22.8	0	0	0	109.5	S438 D441 S445 Q450	S438-N443 PolarHBondContact O-N 3.24Å; D441-N443 HydrophobicContact CB-CB 4.33Å; D441-N443 PolarHBondContact O-N 2.72Å; N443-S445 PolarHBondContact O-N 3.38Å; N443-Q450 PolarHBondContact ND2-NE2 3.23Å; N443-Q450 PolarHBondContact OD1-NE2 2.72Å; N443-Q450 VanDerWaalsContact OD1-NE2 3.08Å
444	Y	47.4	Very low	49	Very low	132 Å²	132	89.1 Å²	89.1	52%	0.518	51%	0.513	S	S	.	.			trans	-71.7	95.2	169.8	-74.3	-81.9	0	0	0	109.6	V439 G442 Y446	V439-Y444 HydrophobicContact CG2-CE1 4.42Å; G442-Y444 PolarHBondContact O-N 3.21Å; G442-Y444 VanDerWaalsContact O-N 3.08Å; Y444-Y446 HydrophobicContact CD1-CE2 4.39Å; Y444-Y446 PolarHBondContact O-N 3.12Å
445	S	45.6	Very low	48.8	Very low	70 Å²	70	90.8 Å²	90.8	49%	0.49	52%	0.515	S	S	.	.			trans	-88.7	96.9	170	69.9	0	0	0	0	110.3	N443 G447 M449	N443-S445 PolarHBondContact O-N 3.38Å; S445-G447 PolarHBondContact O-N 3.08Å; S445-M449 WeakPolarHBondContact CA-O 3.42Å
446	Y	44.3	Very low	48.5	Very low	187 Å²	187	90.9 Å²	90.9	73%	0.733	52%	0.52	S	S	*	.	B	Isolated β-bridge	trans	-85.7	94.1	166.1	-82.2	-85.2	0	0	0	108.5	Y444 M449	Y444-Y446 HydrophobicContact CD1-CE2 4.39Å; Y444-Y446 PolarHBondContact O-N 3.12Å; Y446-M449 PolarHBondContact N-O 3.46Å; Y446-M449 WeakPolarHBondContact O-CB 3.46Å; Y446-M449 PolarHBondContact O-N 3.43Å
447	G	49.2	Very low	48.3	Very low	79 Å²	79	101 Å²	101	81%	0.814	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.9	57	174.2	0	0	0	0	0	114.6	S445 M449	S445-G447 PolarHBondContact O-N 3.08Å; G447-M449 PolarHBondContact O-N 3.02Å
448	N	45.1	Very low	48.2	Very low	161 Å²	161	103.4 Å²	103.4	86%	0.861	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.9	5	-175.6	-67	-7	0	0	0	116.7	Q450	N448-Q450 PolarHBondContact O-N 3.45Å
449	M	41.3	Very low	48	Very low	140 Å²	140	112.4 Å²	112.4	69%	0.69	61%	0.605	S	S	*	*	B	Isolated β-bridge	trans	-82.8	104.6	167	-166.8	173.7	-177.9	0	0	109.2	S445 Y446 G447	S445-M449 WeakPolarHBondContact CA-O 3.42Å; Y446-M449 PolarHBondContact N-O 3.46Å; Y446-M449 WeakPolarHBondContact O-CB 3.46Å; Y446-M449 PolarHBondContact O-N 3.43Å; G447-M449 PolarHBondContact O-N 3.02Å
450	Q	46.7	Very low	47.8	Very low	83 Å²	83	111.9 Å²	111.9	39%	0.388	61%	0.605	S	S	.	*			trans	-101.8	115.4	169.5	-63	-179.1	-75.2	0	0	108.7	N443 N448 N453	N443-Q450 PolarHBondContact ND2-NE2 3.23Å; N443-Q450 PolarHBondContact OD1-NE2 2.72Å; N443-Q450 VanDerWaalsContact OD1-NE2 3.08Å; N448-Q450 PolarHBondContact O-N 3.45Å; Q450-N453 HydrophobicContact CB-CB 3.65Å; Q450-N453 PolarHBondContact OE1-ND2 3.22Å
451	T	42.5	Very low	48	Very low	112 Å²	112	116.8 Å²	116.8	69%	0.687	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	136	171.4	-141.8	0	0	0	0	108
452	E	48.4	Very low	47.5	Very low	192 Å²	192	118.9 Å²	118.9	90%	0.897	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.1	27.9	-176.3	-54.5	-169.9	154.9	0	0	116.8
453	N	46.1	Very low	47.3	Very low	78 Å²	78	121.9 Å²	121.9	42%	0.417	66%	0.659	S	S	.	*			trans	-85.8	122.4	175.3	-169.6	23.6	0	0	0	113.1	Q450 N455	Q450-N453 HydrophobicContact CB-CB 3.65Å; Q450-N453 PolarHBondContact OE1-ND2 3.22Å; N453-N455 PolarHBondContact O-N 3.41Å
454	V	45.3	Very low	47.6	Very low	142 Å²	142	123.4 Å²	123.4	86%	0.861	67%	0.67	S	S	*	*			trans	-86.6	97.5	168.3	179.8	0	0	0	0	108.1
455	N	50.8	Low	47.7	Very low	119 Å²	119	122.5 Å²	122.5	64%	0.636	68%	0.679	S	S	*	*			trans	-89.2	125.1	179.7	-157.5	21	0	0	0	111.1	N453	N453-N455 PolarHBondContact O-N 3.41Å
456	G	46.8	Very low	48.2	Very low	49 Å²	49	123.4 Å²	123.4	51%	0.505	69%	0.685	S	S	.	*			trans	-120.7	152.8	178.1	0	0	0	0	0	111.7	S458	G456-S458 VanDerWaalsContact C-N 3.26Å; G456-S458 PolarHBondContact O-N 3Å
457	F	49.6	Very low	48.7	Very low	221 Å²	221	124 Å²	124	97%	0.969	69%	0.692	S	S	*	*	S	Bend	trans	56.7	32.6	179	-55.8	-77.8	0	0	0	115.3	W459	F457-W459 PolarHBondContact O-N 3.34Å; F457-W459 VanDerWaalsContact O-N 3.12Å
458	S	50.7	Low	49.2	Very low	65 Å²	65	123.2 Å²	123.2	46%	0.455	68%	0.684	S	S	.	*			trans	-74.1	103.8	172.5	63.8	0	0	0	0	110.2	G456 S460	G456-S458 VanDerWaalsContact C-N 3.26Å; G456-S458 PolarHBondContact O-N 3Å; S458-S460 VanDerWaalsContact C-N 3.3Å; S458-S460 PolarHBondContact O-N 3.46Å; S458-S460 VanDerWaalsContact O-N 3.16Å
459	W	49	Very low	50.1	Low	232 Å²	232	121 Å²	121	88%	0.879	67%	0.669	S	S	*	*			trans	-73	97.1	149.9	-175.3	-60.9	0	0	0	106.4	F457 T461	F457-W459 PolarHBondContact O-N 3.34Å; F457-W459 VanDerWaalsContact O-N 3.12Å; W459-T461 VanDerWaalsContact NE1-CG2 3.35Å
460	S	50	Low	50.9	Low	53 Å²	53	120.1 Å²	120.1	37%	0.371	66%	0.664	S	S	.	*			trans	-93.4	109.6	174.3	-160.7	0	0	0	0	108.9	S458 N462 T464	S458-S460 VanDerWaalsContact C-N 3.3Å; S458-S460 PolarHBondContact O-N 3.46Å; S458-S460 VanDerWaalsContact O-N 3.16Å; S460-N462 WeakPolarHBondContact CB-O 3.35Å; S460-N462 PolarHBondContact O-N 3.08Å; S460-N462 VanDerWaalsContact OG-C 3.3Å; S460-N462 PolarHBondContact OG-N 2.65Å; S460-N462 PolarHBondContact OG-O 2.66Å; S460-T464 WeakPolarHBondContact CB-OG1 3.38Å; S460-T464 PolarHBondContact OG-OG1 2.65Å
461	T	56.3	Low	52.2	Low	131 Å²	131	119.2 Å²	119.2	80%	0.804	66%	0.664	S	S	*	*	S	Bend	trans	-78.5	9.3	160.4	42.8	0	0	0	0	111.8	W459	W459-T461 VanDerWaalsContact NE1-CG2 3.35Å
462	N	43	Very low	53	Low	136 Å²	136	119.1 Å²	119.1	73%	0.727	65%	0.652	S	S	*	*	S	Bend	trans	-137.4	171.8	-171.3	-145.1	-16.1	0	0	0	110.8	S460	S460-N462 WeakPolarHBondContact CB-O 3.35Å; S460-N462 PolarHBondContact O-N 3.08Å; S460-N462 VanDerWaalsContact OG-C 3.3Å; S460-N462 PolarHBondContact OG-N 2.65Å; S460-N462 PolarHBondContact OG-O 2.66Å
463	S	46	Very low	54.4	Low	113 Å²	113	116.3 Å²	116.3	79%	0.79	64%	0.639	S	S	*	*			trans	-67.3	133.5	-174.8	-170.7	0	0	0	0	113.8
464	T	54.4	Low	55.9	Low	96 Å²	96	114.1 Å²	114.1	59%	0.589	63%	0.629	S	S	*	*			trans	-123	139.1	178.5	-62.2	0	0	0	0	111.8	S460	S460-T464 WeakPolarHBondContact CB-OG1 3.38Å; S460-T464 PolarHBondContact OG-OG1 2.65Å
465	T	50	Low	57.2	Low	114 Å²	114	111.9 Å²	111.9	70%	0.699	63%	0.634	S	S	*	*			trans	-123.6	126.4	175.1	58.2	0	0	0	0	111.2
466	S	56.5	Low	58.5	Low	89 Å²	89	110.1 Å²	110.1	62%	0.622	63%	0.631	S	S	*	*			trans	-119.5	139	-177.3	66.8	0	0	0	0	113.4
467	F	55.7	Low	59.8	Low	200 Å²	200	108.5 Å²	108.5	88%	0.877	62%	0.615	S	S	*	*			trans	-132.7	122.7	176.4	-61.5	-83.6	0	0	0	110.7
468	G	59.6	Low	61.3	Low	62 Å²	62	98.2 Å²	98.2	64%	0.639	57%	0.57	S	S	*	*	S	Bend	trans	144.1	-26.8	167.3	0	0	0	0	0	116.7
469	Q	63.2	Low	62.8	Low	115 Å²	115	97.3 Å²	97.3	54%	0.537	56%	0.562	S	S	.	*	S	Bend	trans	-103.5	138.2	148.9	64.1	-170.1	10.6	0	0	105.2	T471 T481	Q469-T471 PolarHBondContact O-N 3.14Å; Q469-T481 HydrophobicContact CB-CG2 4.29Å
470	M	57.9	Low	64.5	Low	120 Å²	120	86.3 Å²	86.3	59%	0.591	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	75	-179.7	-178	175.1	-67.9	0	0	107.9	Y472 Q482	M470-Y472 PolarHBondContact O-N 3.4Å; M470-Q482 HydrophobicContact CB-CB 4.03Å; M470-Q482 PolarHBondContact N-O 2.84Å; M470-Q482 WeakPolarHBondContact O-CB 3.25Å; M470-Q482 PolarHBondContact O-N 3.05Å
471	T	74.2	Confident	66	Low	65 Å²	65	84.9 Å²	84.9	40%	0.399	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	103.1	166.1	-52.7	0	0	0	0	109	Q469 T480 T481	Q469-T471 PolarHBondContact O-N 3.14Å; T471-T480 CarbonylContact C-O 3.56Å; T471-T480 WeakPolarHBondContact CA-O 3.35Å; T471-T481 WeakPolarHBondContact CB-OG1 3.23Å; T471-T481 WeakPolarHBondContact CG2-OG1 3.24Å; T471-T481 WeakPolarHBondContact OG1-CB 3.22Å; T471-T481 WeakPolarHBondContact OG1-CG2 3.16Å; T471-T481 PolarHBondContact OG1-OG1 3.01Å
472	Y	60.1	Low	67.1	Low	109 Å²	109	82.2 Å²	82.2	43%	0.427	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.8	169	70.1	-89.2	0	0	0	109.5	M470 T480 M488	M470-Y472 PolarHBondContact O-N 3.4Å; Y472-T480 HydrophobicContact CD1-CG2 3.61Å; Y472-T480 WeakPolarHBondContact CD1-O 3.36Å; Y472-T480 HydrophobicContact CD2-CG2 3.23Å; Y472-T480 HydrophobicContact CE1-CG2 3.34Å; Y472-T480 HydrophobicContact CE2-CG2 2.95Å; Y472-T480 HydrophobicContact CG-CG2 3.56Å; Y472-T480 PolarHBondContact N-O 3.4Å; Y472-T480 CarbonylContact O-C 3.54Å; Y472-T480 WeakPolarHBondContact O-CA 3.03Å; Y472-T480 WeakPolarHBondContact O-CG2 3.48Å; Y472-T480 PolarHBondContact O-N 2.79Å; Y472-T480 VanDerWaalsContact O-O 3.06Å; Y472-T480 WeakPolarHBondContact OH-CG2 3.34Å; Y472-M488 HydrophobicContact CE1-CE 3.42Å; Y472-M488 VanDerWaalsContact CE1-CE 3.42Å; Y472-M488 WeakPolarHBondContact OH-CE 3.47Å
473	Q	76.4	Confident	68.4	Low	134 Å²	134	77.3 Å²	77.3	63%	0.626	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.1	170.9	-161.6	175.8	-0.8	0	0	108.8	G477 A478 T479	Q473-G477 PolarHBondContact NE2-O 2.02Å; Q473-A478 CarbonylContact C-O 3.58Å; Q473-A478 VanDerWaalsContact C-O 3.32Å; Q473-A478 WeakPolarHBondContact CA-O 3.12Å; Q473-A478 WeakPolarHBondContact CG-O 3.47Å; Q473-T479 HydrophobicContact CG-CG2 4.32Å
474	T	78.9	Confident	69.5	Low	32 Å²	32	83.1 Å²	83.1	20%	0.196	47%	0.468	C	S	.	.			trans	-67.3	165	173.7	74.2	0	0	0	0	111	S476 G477 A478 T480	T474-S476 PolarHBondContact O-N 2.77Å; T474-S476 VanDerWaalsContact O-N 3.11Å; T474-S476 PolarHBondContact OG1-N 3.24Å; T474-S476 PolarHBondContact OG1-OG 3.06Å; T474-G477 PolarHBondContact O-N 2.99Å; T474-A478 HydrophobicContact CG2-CB 3.9Å; T474-A478 PolarHBondContact N-O 3.4Å; T474-A478 WeakPolarHBondContact OG1-CB 3.23Å; T474-A478 PolarHBondContact OG1-N 2.81Å; T474-A478 PolarHBondContact OG1-O 3.25Å; T474-T480 HydrophobicContact CG2-CG2 3.38Å
475	G	72.8	Confident	70.5	Confident	95 Å²	95	83.7 Å²	83.7	98%	0.979	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.8	175.3	0	0	0	0	0	115.2
476	S	76.6	Confident	71.6	Confident	81 Å²	81	80.4 Å²	80.4	57%	0.566	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.2	173.5	57.7	0	0	0	0	113.3	T474 A495	T474-S476 PolarHBondContact O-N 2.77Å; T474-S476 VanDerWaalsContact O-N 3.11Å; T474-S476 PolarHBondContact OG1-N 3.24Å; T474-S476 PolarHBondContact OG1-OG 3.06Å; S476-A495 WeakPolarHBondContact O-CA 3.4Å; S476-A495 WeakPolarHBondContact O-CB 3.43Å
477	G	75.7	Confident	72.7	Confident	16 Å²	16	80.8 Å²	80.8	17%	0.165	45%	0.451	C	S	.	.	S	Bend	trans	94.8	-3.1	-171.2	0	0	0	0	0	113.7	Q473 T474 G494	Q473-G477 PolarHBondContact NE2-O 2.02Å; T474-G477 PolarHBondContact O-N 2.99Å; G477-G494 CarbonylContact O-C 3.53Å; G477-G494 VanDerWaalsContact O-C 3.24Å
478	A	79.5	Confident	73.7	Confident	4 Å²	4	74.8 Å²	74.8	3%	0.033	43%	0.426	C	S	.	.			trans	-69.5	153.6	175.7	0	0	0	0	0	109.4	Q473 T474 D491 A492 A495	Q473-A478 CarbonylContact C-O 3.58Å; Q473-A478 VanDerWaalsContact C-O 3.32Å; Q473-A478 WeakPolarHBondContact CA-O 3.12Å; Q473-A478 WeakPolarHBondContact CG-O 3.47Å; T474-A478 HydrophobicContact CG2-CB 3.9Å; T474-A478 PolarHBondContact N-O 3.4Å; T474-A478 WeakPolarHBondContact OG1-CB 3.23Å; T474-A478 PolarHBondContact OG1-N 2.81Å; T474-A478 PolarHBondContact OG1-O 3.25Å; A478-D491 CarbonylContact C-O 3.58Å; A478-D491 WeakPolarHBondContact CA-O 3.27Å; A478-D491 WeakPolarHBondContact CB-O 3.44Å; A478-A492 HydrophobicContact CB-CB 4.27Å; A478-A495 HydrophobicContact CB-CB 4.08Å
479	T	84	Confident	74.5	Confident	47 Å²	47	75.8 Å²	75.8	29%	0.288	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	167.8	66.4	0	0	0	0	109.2	Q473 M490 D491	Q473-T479 HydrophobicContact CG-CG2 4.32Å; T479-M490 CarbonylContact O-C 3.6Å; T479-M490 WeakPolarHBondContact O-CA 3.47Å; T479-D491 PolarHBondContact N-O 3.31Å; T479-D491 PolarHBondContact O-N 2.8Å; T479-D491 WeakPolarHBondContact OG1-CB 3.49Å
480	T	84.2	Confident	75.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.2	171.9	175.4	0	0	0	0	108.9	T471 Y472 T474 Q482 M488 V489	T471-T480 CarbonylContact C-O 3.56Å; T471-T480 WeakPolarHBondContact CA-O 3.35Å; Y472-T480 HydrophobicContact CD1-CG2 3.61Å; Y472-T480 WeakPolarHBondContact CD1-O 3.36Å; Y472-T480 HydrophobicContact CD2-CG2 3.23Å; Y472-T480 HydrophobicContact CE1-CG2 3.34Å; Y472-T480 HydrophobicContact CE2-CG2 2.95Å; Y472-T480 HydrophobicContact CG-CG2 3.56Å; Y472-T480 PolarHBondContact N-O 3.4Å; Y472-T480 CarbonylContact O-C 3.54Å; Y472-T480 WeakPolarHBondContact O-CA 3.03Å; Y472-T480 WeakPolarHBondContact O-CG2 3.48Å; Y472-T480 PolarHBondContact O-N 2.79Å; Y472-T480 VanDerWaalsContact O-O 3.06Å; Y472-T480 WeakPolarHBondContact OH-CG2 3.34Å; T474-T480 HydrophobicContact CG2-CG2 3.38Å; T480-Q482 PolarHBondContact O-N 3.25Å; T480-M488 WeakPolarHBondContact OG1-CE 3.35Å; T480-V489 CarbonylContact C-O 3.54Å; T480-V489 WeakPolarHBondContact CA-O 3.27Å
481	T	80.2	Confident	76.6	Confident	23 Å²	23	74.3 Å²	74.3	14%	0.141	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	100.2	175.6	-57.9	0	0	0	0	107.2	Q469 T471 T483 V489	Q469-T481 HydrophobicContact CB-CG2 4.29Å; T471-T481 WeakPolarHBondContact CB-OG1 3.23Å; T471-T481 WeakPolarHBondContact CG2-OG1 3.24Å; T471-T481 WeakPolarHBondContact OG1-CB 3.22Å; T471-T481 WeakPolarHBondContact OG1-CG2 3.16Å; T471-T481 PolarHBondContact OG1-OG1 3.01Å; T481-T483 HydrophobicContact CG2-CG2 3.81Å; T481-T483 PolarHBondContact O-N 2.9Å; T481-V489 PolarHBondContact N-O 2.83Å; T481-V489 PolarHBondContact O-N 2.87Å
482	Q	80.4	Confident	76.7	Confident	76 Å²	76	73.6 Å²	73.6	36%	0.355	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	97.9	156.1	178.5	173.7	78.7	0	0	105.9	M470 T480 N487 M488	M470-Q482 HydrophobicContact CB-CB 4.03Å; M470-Q482 PolarHBondContact N-O 2.84Å; M470-Q482 WeakPolarHBondContact O-CB 3.25Å; M470-Q482 PolarHBondContact O-N 3.05Å; T480-Q482 PolarHBondContact O-N 3.25Å; Q482-N487 WeakPolarHBondContact CA-O 3.49Å; Q482-M488 HydrophobicContact CB-CE 4.45Å; Q482-M488 HydrophobicContact CB-SD 3.6Å; Q482-M488 HydrophobicContact CG-SD 3.94Å
483	T	70.8	Confident	77.4	Confident	33 Å²	33	70.8 Å²	70.8	20%	0.202	41%	0.413	C	S	.	.			trans	-65.7	156.4	175	44.7	0	0	0	0	108	T481 D485 G486 N487 V489	T481-T483 HydrophobicContact CG2-CG2 3.81Å; T481-T483 PolarHBondContact O-N 2.9Å; T483-D485 WeakPolarHBondContact CB-OD1 3.38Å; T483-D485 PolarHBondContact O-N 3.04Å; T483-D485 PolarHBondContact OG1-OD1 3.13Å; T483-G486 PolarHBondContact O-N 2.83Å; T483-N487 PolarHBondContact N-O 3.01Å; T483-N487 VanDerWaalsContact OG1-CB 3.32Å; T483-N487 WeakPolarHBondContact OG1-CB 3.46Å; T483-N487 PolarHBondContact OG1-O 2.9Å; T483-V489 HydrophobicContact CG2-CG2 3.75Å
484	R	67.8	Low	77.2	Confident	234 Å²	234	67 Å²	67	88%	0.883	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.6	-176.4	-174.9	-177.3	65.3	110.3	3.8	114.1	G486	R484-G486 VanDerWaalsContact C-N 3.32Å
485	D	75.6	Confident	77	Confident	109 Å²	109	66.3 Å²	66.3	58%	0.583	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	4.4	176.9	60.7	-6	0	0	0	113.8	T483 N487	T483-D485 WeakPolarHBondContact CB-OD1 3.38Å; T483-D485 PolarHBondContact O-N 3.04Å; T483-D485 PolarHBondContact OG1-OD1 3.13Å; D485-N487 VanDerWaalsContact CG-ND2 3.32Å; D485-N487 PolarHBondContact O-N 2.81Å; D485-N487 WeakPolarHBondContact OD1-CB 3.24Å; D485-N487 PolarHBondContact OD1-N 3.38Å; D485-N487 VanDerWaalsContact OD1-N 3.1Å; D485-N487 PolarHBondContact OD2-ND2 2.98Å
486	G	73.9	Confident	77.3	Confident	45 Å²	45	65.4 Å²	65.4	46%	0.464	38%	0.378	S	S	.	.	S	Bend	trans	80.3	-3	-178	0	0	0	0	0	114.2	T483 R484	T483-G486 PolarHBondContact O-N 2.83Å; R484-G486 VanDerWaalsContact C-N 3.32Å
487	N	78.2	Confident	77.4	Confident	96 Å²	96	63.3 Å²	63.3	51%	0.513	36%	0.363	S	S	.	.			trans	-69.2	149.2	173.9	-69.8	-38.1	0	0	0	110.4	Q482 T483 D485	Q482-N487 WeakPolarHBondContact CA-O 3.49Å; T483-N487 PolarHBondContact N-O 3.01Å; T483-N487 VanDerWaalsContact OG1-CB 3.32Å; T483-N487 WeakPolarHBondContact OG1-CB 3.46Å; T483-N487 PolarHBondContact OG1-O 2.9Å; D485-N487 VanDerWaalsContact CG-ND2 3.32Å; D485-N487 PolarHBondContact O-N 2.81Å; D485-N487 WeakPolarHBondContact OD1-CB 3.24Å; D485-N487 PolarHBondContact OD1-N 3.38Å; D485-N487 VanDerWaalsContact OD1-N 3.1Å; D485-N487 PolarHBondContact OD2-ND2 2.98Å
488	M	77.4	Confident	77.6	Confident	74 Å²	74	73.2 Å²	73.2	37%	0.365	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	100.9	-178.2	-64	-61.8	-68.8	0	0	108.3	Y472 T480 Q482 M490	Y472-M488 HydrophobicContact CE1-CE 3.42Å; Y472-M488 VanDerWaalsContact CE1-CE 3.42Å; Y472-M488 WeakPolarHBondContact OH-CE 3.47Å; T480-M488 WeakPolarHBondContact OG1-CE 3.35Å; Q482-M488 HydrophobicContact CB-CE 4.45Å; Q482-M488 HydrophobicContact CB-SD 3.6Å; Q482-M488 HydrophobicContact CG-SD 3.94Å; M488-M490 HydrophobicContact CB-CE 4.38Å
489	V	77.1	Confident	77.8	Confident	83 Å²	83	74.5 Å²	74.5	50%	0.503	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.4	173.5	178.3	0	0	0	0	108.1	T480 T481 T483	T480-V489 CarbonylContact C-O 3.54Å; T480-V489 WeakPolarHBondContact CA-O 3.27Å; T481-V489 PolarHBondContact N-O 2.83Å; T481-V489 PolarHBondContact O-N 2.87Å; T483-V489 HydrophobicContact CG2-CG2 3.75Å
490	M	81.4	Confident	77.7	Confident	132 Å²	132	75 Å²	75	65%	0.65	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	125	179.4	-56.9	-174.8	-179.7	0	0	110.5	T479 M488	T479-M490 CarbonylContact O-C 3.6Å; T479-M490 WeakPolarHBondContact O-CA 3.47Å; M488-M490 HydrophobicContact CB-CE 4.38Å
491	D	82.4	Confident	77.5	Confident	72 Å²	72	76.7 Å²	76.7	39%	0.385	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	97.8	174.7	174.9	7	0	0	0	109	A478 T479 S493	A478-D491 CarbonylContact C-O 3.58Å; A478-D491 WeakPolarHBondContact CA-O 3.27Å; A478-D491 WeakPolarHBondContact CB-O 3.44Å; T479-D491 PolarHBondContact N-O 3.31Å; T479-D491 PolarHBondContact O-N 2.8Å; T479-D491 WeakPolarHBondContact OG1-CB 3.49Å; D491-S493 VanDerWaalsContact CG-OG 3.29Å; D491-S493 PolarHBondContact O-N 3.23Å; D491-S493 WeakPolarHBondContact OD1-CB 3.46Å; D491-S493 PolarHBondContact OD1-N 2.8Å; D491-S493 PolarHBondContact OD1-OG 3.29Å; D491-S493 PolarHBondContact OD2-OG 3.23Å
492	A	76.5	Confident	77.3	Confident	51 Å²	51	78.5 Å²	78.5	42%	0.421	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-77.3	0.2	177.4	0	0	0	0	0	114	A478 G494 A495 M496	A478-A492 HydrophobicContact CB-CB 4.27Å; A492-G494 VanDerWaalsContact C-N 3.26Å; A492-G494 PolarHBondContact O-N 2.84Å; A492-A495 HydrophobicContact CB-CB 4.49Å; A492-A495 WeakPolarHBondContact O-CA 3.06Å; A492-A495 VanDerWaalsContact O-CB 3.25Å; A492-A495 WeakPolarHBondContact O-CB 3.44Å; A492-A495 PolarHBondContact O-N 3.45Å; A492-M496 PolarHBondContact O-N 2.65Å
493	S	75.7	Confident	76.8	Confident	50 Å²	50	75.3 Å²	75.3	35%	0.35	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-63.9	-33.4	-177.2	70.9	0	0	0	0	112.8	D491 A495	D491-S493 VanDerWaalsContact CG-OG 3.29Å; D491-S493 PolarHBondContact O-N 3.23Å; D491-S493 WeakPolarHBondContact OD1-CB 3.46Å; D491-S493 PolarHBondContact OD1-N 2.8Å; D491-S493 PolarHBondContact OD1-OG 3.29Å; D491-S493 PolarHBondContact OD2-OG 3.23Å; S493-A495 VanDerWaalsContact C-N 3.26Å; S493-A495 PolarHBondContact O-N 2.82Å
494	G	72.5	Confident	76.9	Confident	54 Å²	54	75.5 Å²	75.5	56%	0.557	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-72.6	-15	171.5	0	0	0	0	0	114.3	G477 A492	G477-G494 CarbonylContact O-C 3.53Å; G477-G494 VanDerWaalsContact O-C 3.24Å; A492-G494 VanDerWaalsContact C-N 3.26Å; A492-G494 PolarHBondContact O-N 2.84Å
495	A	74.5	Confident	76.8	Confident	17 Å²	17	65.1 Å²	65.1	14%	0.14	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-89.1	-8.8	177.4	0	0	0	0	0	114	S476 A478 A492 S493	S476-A495 WeakPolarHBondContact O-CA 3.4Å; S476-A495 WeakPolarHBondContact O-CB 3.43Å; A478-A495 HydrophobicContact CB-CB 4.08Å; A492-A495 HydrophobicContact CB-CB 4.49Å; A492-A495 WeakPolarHBondContact O-CA 3.06Å; A492-A495 VanDerWaalsContact O-CB 3.25Å; A492-A495 WeakPolarHBondContact O-CB 3.44Å; A492-A495 PolarHBondContact O-N 3.45Å; S493-A495 VanDerWaalsContact C-N 3.26Å; S493-A495 PolarHBondContact O-N 2.82Å
496	M	78.7	Confident	76.5	Confident	77 Å²	77	61 Å²	61	38%	0.379	37%	0.368	S	S	.	.	S	Bend	trans	-112.2	131.7	-172.9	-66.1	178.2	73.4	0	0	111.1	A492 R498 D741	A492-M496 PolarHBondContact O-N 2.65Å; M496-R498 PolarHBondContact O-N 3.44Å; M496-D741 HydrophobicContact CE-CB 3.47Å; M496-D741 VanDerWaalsContact CE-CB 3.47Å; M496-D741 WeakPolarHBondContact CE-OD2 3.29Å
497	S	78	Confident	76.2	Confident	36 Å²	36	67.3 Å²	67.3	25%	0.252	38%	0.378	S	S	.	.			trans	-67.7	117.7	171.4	-66	0	0	0	0	110.6	L499 S743 Q744	S497-L499 PolarHBondContact O-N 2.87Å; S497-S743 VanDerWaalsContact O-CB 3.23Å; S497-S743 WeakPolarHBondContact O-CB 3.18Å; S497-Q744 PolarHBondContact OG-OE1 2.91Å
498	R	80.6	Confident	75.7	Confident	224 Å²	224	66.9 Å²	66.9	85%	0.845	37%	0.373	S	S	*	.			trans	-86.2	90.4	168.7	-70.1	-172.3	177.6	175.5	1.2	109.5	M496	M496-R498 PolarHBondContact O-N 3.44Å
499	L	83.4	Confident	75.3	Confident	32 Å²	32	66.1 Å²	66.1	17%	0.168	37%	0.369	C	S	.	.			trans	-94.5	157.1	-174.8	-57.8	177.2	0	0	0	111.8	S497 V501 S743 F746 A747 L762	S497-L499 PolarHBondContact O-N 2.87Å; L499-V501 PolarHBondContact O-N 2.82Å; L499-V501 VanDerWaalsContact O-N 3.11Å; L499-S743 VanDerWaalsContact CD1-O 3.22Å; L499-S743 WeakPolarHBondContact CD1-O 3.18Å; L499-F746 HydrophobicContact CD1-CD1 3.55Å; L499-F746 HydrophobicContact CD1-CE1 4.23Å; L499-F746 HydrophobicContact CD1-CG 4.46Å; L499-A747 HydrophobicContact CD1-CB 4.13Å; L499-L762 HydrophobicContact CD1-CD2 3.78Å; L499-L762 HydrophobicContact CD2-CB 3.91Å; L499-L762 HydrophobicContact CD2-CD2 3.83Å; L499-L762 HydrophobicContact CD2-CG 4.37Å; L499-L762 HydrophobicContact CG-CD2 4.43Å
500	P	82.3	Confident	75.1	Confident	57 Å²	57	62.8 Å²	62.8	37%	0.37	35%	0.35	S	S	.	.	S	Bend	trans	-61.9	-14.5	172.4	-23.4	33.6	0	0	0	114.7	L762 T765	P500-L762 WeakPolarHBondContact CD-O 3.27Å; P500-T765 HydrophobicContact CB-CG2 4.01Å; P500-T765 HydrophobicContact CG-CG2 3.6Å
501	V	79.9	Confident	74.6	Confident	35 Å²	35	59.2 Å²	59.2	21%	0.212	34%	0.342	C	S	.	.	S	Bend	trans	-125.4	113.6	174.6	176.1	0	0	0	0	107.6	L499 I503 R774 A778	L499-V501 PolarHBondContact O-N 2.82Å; L499-V501 VanDerWaalsContact O-N 3.11Å; V501-I503 HydrophobicContact CG1-CG1 4.37Å; V501-R774 HydrophobicContact CG2-CG 3.99Å; V501-A778 HydrophobicContact CG1-CB 4.1Å
502	G	75.4	Confident	74.2	Confident	62 Å²	62	57.9 Å²	57.9	64%	0.639	34%	0.341	S	S	*	.			trans	-92	128.8	173.4	0	0	0	0	0	110.8
503	I	71.6	Confident	74.1	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.046	33%	0.326	C	S	.	.			trans	-106	111	-179.6	-54.3	-172.5	0	0	0	108.9	V501 L742 F746 A778 F781 V782	V501-I503 HydrophobicContact CG1-CG1 4.37Å; I503-L742 HydrophobicContact CB-CB 4.19Å; I503-L742 HydrophobicContact CG2-CB 4.22Å; I503-L742 HydrophobicContact CG2-CD1 4.23Å; I503-L742 PolarHBondContact O-N 3.41Å; I503-F746 HydrophobicContact CD1-CB 3.76Å; I503-F746 HydrophobicContact CD1-CD1 4.07Å; I503-F746 HydrophobicContact CD1-CD2 3.75Å; I503-F746 HydrophobicContact CD1-CE2 4.43Å; I503-F746 HydrophobicContact CD1-CG 3.56Å; I503-F746 HydrophobicContact CG1-CB 4.49Å; I503-F746 HydrophobicContact CG1-CG 4.46Å; I503-A778 HydrophobicContact CD1-CB 4.03Å; I503-F781 HydrophobicContact CD1-CD1 3.37Å; I503-F781 HydrophobicContact CD1-CE1 3.83Å; I503-F781 HydrophobicContact CD1-CG 4.27Å; I503-F781 HydrophobicContact CG2-CD1 4.29Å; I503-F781 HydrophobicContact CG2-CE1 4.03Å; I503-V782 HydrophobicContact CG2-CG2 4.04Å
504	N	71.7	Confident	74.4	Confident	37 Å²	37	59.5 Å²	59.5	20%	0.198	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-116.5	107.9	-179.7	-172.8	-47.9	0	0	0	109.2	T506 S739	N504-T506 PolarHBondContact O-N 3.39Å; N504-T506 PolarHBondContact OD1-N 3.47Å; N504-S739 PolarHBondContact ND2-OG 3.26Å
505	A	66.8	Low	74.7	Confident	15 Å²	15	62.2 Å²	62.2	12%	0.124	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-34.1	-175.1	0	0	0	0	0	112.8	R507 Q508 I509 L742 V786	A505-R507 PolarHBondContact O-N 2.89Å; A505-Q508 PolarHBondContact O-N 3.32Å; A505-Q508 VanDerWaalsContact O-N 3.14Å; A505-I509 PolarHBondContact O-N 3.04Å; A505-L742 HydrophobicContact CB-CD1 3.94Å; A505-V786 HydrophobicContact CB-CG1 4.2Å
506	T	68.6	Low	74.8	Confident	24 Å²	24	63.2 Å²	63.2	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-37.4	-171.4	-38.6	0	0	0	0	112.6	N504 I509 A510 T731	N504-T506 PolarHBondContact O-N 3.39Å; N504-T506 PolarHBondContact OD1-N 3.47Å; T506-I509 PolarHBondContact O-N 3.43Å; T506-A510 PolarHBondContact O-N 3Å; T506-T731 HydrophobicContact CG2-CG2 3.89Å; T506-T731 WeakPolarHBondContact O-CG2 3.4Å
507	R	67.9	Low	74.9	Confident	177 Å²	177	60 Å²	60	67%	0.668	32%	0.32	S	S	*	.	H	α-helix	trans	-68.9	-32.3	175.9	-78.6	-169.7	-116.6	178.4	-3.7	113.5	A505 A511	A505-R507 PolarHBondContact O-N 2.89Å; R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.17Å
508	Q	67.4	Low	75	Confident	87 Å²	87	65.1 Å²	65.1	41%	0.407	33%	0.334	S	S	.	.	H	α-helix	trans	-69.4	-37.7	178.6	-69.5	-178.9	-19.1	0	0	111.3	A505 A511 A512	A505-Q508 PolarHBondContact O-N 3.32Å; A505-Q508 VanDerWaalsContact O-N 3.14Å; Q508-A511 PolarHBondContact O-N 2.81Å; Q508-A512 PolarHBondContact O-N 3.42Å
509	I	69.6	Low	75.1	Confident	57 Å²	57	58.9 Å²	58.9	29%	0.292	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-45.8	175.6	-62.8	169.1	0	0	0	110.9	A505 T506 A511 A512 Q513 T731 V790	A505-I509 PolarHBondContact O-N 3.04Å; T506-I509 PolarHBondContact O-N 3.43Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.46Å; I509-A512 PolarHBondContact O-N 3.45Å; I509-Q513 HydrophobicContact CG2-CG 4.43Å; I509-Q513 WeakPolarHBondContact O-CG 3.18Å; I509-Q513 PolarHBondContact O-N 3.38Å; I509-T731 HydrophobicContact CB-CG2 4.07Å; I509-T731 HydrophobicContact CG2-CG2 3.94Å; I509-V790 HydrophobicContact CD1-CG2 4.49Å; I509-V790 HydrophobicContact CG1-CG2 4.1Å
510	A	72.6	Confident	74.8	Confident	13 Å²	13	57.7 Å²	57.7	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-42.3	178.2	0	0	0	0	0	112.1	T506 Q513 Q514 T731	T506-A510 PolarHBondContact O-N 3Å; A510-Q513 PolarHBondContact O-N 2.79Å; A510-Q514 PolarHBondContact O-N 3.34Å; A510-T731 HydrophobicContact CB-CG2 3.95Å
511	A	71.4	Confident	74.8	Confident	58 Å²	58	57.1 Å²	57.1	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-41.4	176.3	0	0	0	0	0	112.5	R507 Q508 I509 Q514 E515	R507-A511 PolarHBondContact O-N 3.49Å; R507-A511 VanDerWaalsContact O-N 3.17Å; Q508-A511 PolarHBondContact O-N 2.81Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.46Å; A511-Q514 PolarHBondContact O-N 3.26Å; A511-E515 PolarHBondContact O-N 3.22Å; A511-E515 VanDerWaalsContact O-N 3.1Å
512	A	72.1	Confident	74.9	Confident	43 Å²	43	60.2 Å²	60.2	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.9	0	0	0	0	0	112.1	Q508 I509 E515 M516	Q508-A512 PolarHBondContact O-N 3.42Å; I509-A512 PolarHBondContact O-N 3.45Å; A512-E515 PolarHBondContact O-N 2.8Å; A512-M516 WeakPolarHBondContact O-CG 3.06Å; A512-M516 PolarHBondContact O-N 3.38Å
513	Q	75.9	Confident	75.4	Confident	25 Å²	25	63.3 Å²	63.3	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-39.5	175.5	-72.8	169.1	-16.2	0	0	112.1	I509 A510 E515 M516 A517 M727 A728 T731	I509-Q513 HydrophobicContact CG2-CG 4.43Å; I509-Q513 WeakPolarHBondContact O-CG 3.18Å; I509-Q513 PolarHBondContact O-N 3.38Å; A510-Q513 PolarHBondContact O-N 2.79Å; Q513-E515 VanDerWaalsContact C-N 3.34Å; Q513-E515 PolarHBondContact O-N 3.44Å; Q513-M516 HydrophobicContact CB-CE 4.34Å; Q513-M516 HydrophobicContact CG-CE 3.88Å; Q513-M516 PolarHBondContact O-N 3.26Å; Q513-A517 PolarHBondContact O-N 2.67Å; Q513-M727 HydrophobicContact CG-CB 4.31Å; Q513-M727 PolarHBondContact OE1-O 3.42Å; Q513-A728 HydrophobicContact CB-CB 3.75Å; Q513-A728 VanDerWaalsContact OE1-N 3.13Å; Q513-T731 PolarHBondContact NE2-OG1 2.92Å; Q513-T731 PolarHBondContact OE1-OG1 3.17Å
514	Q	80.5	Confident	75.9	Confident	110 Å²	110	62.9 Å²	62.9	51%	0.514	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-34.8	176.5	-165.9	173	8.6	0	0	112.9	A510 A511 R518 A728	A510-Q514 PolarHBondContact O-N 3.34Å; A511-Q514 PolarHBondContact O-N 3.26Å; Q514-R518 PolarHBondContact O-N 3.4Å; Q514-A728 HydrophobicContact CB-CB 4.36Å
515	E	78.7	Confident	76.4	Confident	111 Å²	111	66.7 Å²	66.7	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-70.7	-42	174.6	-167.4	61	-160.5	0	0	111.8	A511 A512 Q513 A517 R518 E519	A511-E515 PolarHBondContact O-N 3.22Å; A511-E515 VanDerWaalsContact O-N 3.1Å; A512-E515 PolarHBondContact O-N 2.8Å; Q513-E515 VanDerWaalsContact C-N 3.34Å; Q513-E515 PolarHBondContact O-N 3.44Å; E515-A517 VanDerWaalsContact C-N 3.26Å; E515-A517 PolarHBondContact O-N 3.5Å; E515-R518 PolarHBondContact O-N 3.38Å; E515-R518 VanDerWaalsContact O-N 3.12Å; E515-R518 IonicContact OE2-NH1 3.87Å; E515-E519 PolarHBondContact O-N 3.38Å
516	M	77.7	Confident	77.2	Confident	39 Å²	39	69.9 Å²	69.9	19%	0.192	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-37.4	173.6	-71.5	-172.1	-67.5	0	0	112.1	A512 Q513 E519 A520 Y724	A512-M516 WeakPolarHBondContact O-CG 3.06Å; A512-M516 PolarHBondContact O-N 3.38Å; Q513-M516 HydrophobicContact CB-CE 4.34Å; Q513-M516 HydrophobicContact CG-CE 3.88Å; Q513-M516 PolarHBondContact O-N 3.26Å; M516-E519 PolarHBondContact O-N 3.46Å; M516-A520 WeakPolarHBondContact O-CB 3.49Å; M516-A520 PolarHBondContact O-N 2.61Å; M516-Y724 HydrophobicContact CB-CD1 4.07Å; M516-Y724 HydrophobicContact CB-CD2 3.73Å; M516-Y724 HydrophobicContact CB-CE1 4.3Å; M516-Y724 HydrophobicContact CB-CE2 4Å; M516-Y724 HydrophobicContact CB-CG 3.79Å; M516-Y724 HydrophobicContact CE-CD1 4.05Å; M516-Y724 HydrophobicContact CE-CE1 4.08Å; M516-Y724 HydrophobicContact SD-CD1 4.43Å; M516-Y724 HydrophobicContact SD-CE1 4.02Å
517	A	79.9	Confident	77.9	Confident	8 Å²	8	69 Å²	69	7%	0.066	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-46	174.1	0	0	0	0	0	111.8	Q513 E515 A520 S521 S721 A725	Q513-A517 PolarHBondContact O-N 2.67Å; E515-A517 VanDerWaalsContact C-N 3.26Å; E515-A517 PolarHBondContact O-N 3.5Å; A517-A520 PolarHBondContact O-N 3.3Å; A517-S521 PolarHBondContact O-N 3.07Å; A517-S721 WeakPolarHBondContact CB-O 3.47Å; A517-S721 PolarHBondContact O-OG 2.98Å; A517-A725 HydrophobicContact CB-CB 4.13Å
518	R	81	Confident	78.6	Confident	145 Å²	145	64.1 Å²	64.1	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-42.3	177.6	-73.4	178.5	172.9	161.4	-0.9	112.6	Q514 E515 S521 N522	Q514-R518 PolarHBondContact O-N 3.4Å; E515-R518 PolarHBondContact O-N 3.38Å; E515-R518 VanDerWaalsContact O-N 3.12Å; E515-R518 IonicContact OE2-NH1 3.87Å; R518-S521 WeakPolarHBondContact O-CB 3.44Å; R518-S521 PolarHBondContact O-N 3.48Å; R518-N522 PolarHBondContact O-N 3Å
519	E	81.9	Confident	79.4	Confident	93 Å²	93	66 Å²	66	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-43.1	178.6	-169.1	-179.7	-176.3	0	0	111.5	E515 M516 S521 N522 R523	E515-E519 PolarHBondContact O-N 3.38Å; M516-E519 PolarHBondContact O-N 3.46Å; E519-S521 VanDerWaalsContact C-N 3.34Å; E519-S521 PolarHBondContact O-N 3.25Å; E519-N522 PolarHBondContact O-N 3.37Å; E519-R523 VanDerWaalsContact CD-NH2 3.28Å; E519-R523 WeakPolarHBondContact O-CG 3.49Å; E519-R523 PolarHBondContact O-N 3.35Å; E519-R523 VanDerWaalsContact O-N 3.08Å; E519-R523 IonicContact OE1-CZ 3.75Å; E519-R523 IonicContact OE1-NE 3.23Å; E519-R523 IonicContact OE1-NH2 2.67Å; E519-R523 PolarHBondContact OE1-NH2 2.79Å; E519-R523 IonicContact OE2-NH2 2.66Å
520	A	77.8	Confident	80.1	Confident	6 Å²	6	64.3 Å²	64.3	5%	0.05	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-42.5	174.4	0	0	0	0	0	111.6	M516 A517 N522 R523 A524 N717 C720 Y724	M516-A520 WeakPolarHBondContact O-CB 3.49Å; M516-A520 PolarHBondContact O-N 2.61Å; A517-A520 PolarHBondContact O-N 3.3Å; A520-N522 PolarHBondContact O-N 3.5Å; A520-R523 PolarHBondContact O-N 2.89Å; A520-A524 PolarHBondContact O-N 3.38Å; A520-N717 WeakPolarHBondContact CB-O 3.49Å; A520-N717 WeakPolarHBondContact O-CB 3.31Å; A520-C720 HydrophobicContact CB-CB 4.23Å; A520-Y724 HydrophobicContact CB-CD2 4.28Å; A520-Y724 HydrophobicContact CB-CE2 4.43Å
521	S	82.7	Confident	80.6	Confident	46 Å²	46	64.5 Å²	64.5	32%	0.322	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-47	175.4	-170.5	0	0	0	0	112.8	A517 R518 E519 R523 A524 E525	A517-S521 PolarHBondContact O-N 3.07Å; R518-S521 WeakPolarHBondContact O-CB 3.44Å; R518-S521 PolarHBondContact O-N 3.48Å; E519-S521 VanDerWaalsContact C-N 3.34Å; E519-S521 PolarHBondContact O-N 3.25Å; S521-R523 VanDerWaalsContact C-N 3.31Å; S521-R523 PolarHBondContact O-N 2.89Å; S521-A524 WeakPolarHBondContact O-CB 3.48Å; S521-A524 PolarHBondContact O-N 2.87Å; S521-A524 VanDerWaalsContact O-N 3.15Å; S521-E525 PolarHBondContact O-N 2.93Å
522	N	82.7	Confident	81.1	Confident	99 Å²	99	63.8 Å²	63.8	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-37.1	178	-68.5	-18	0	0	0	112.5	R518 E519 A520 S526	R518-N522 PolarHBondContact O-N 3Å; E519-N522 PolarHBondContact O-N 3.37Å; A520-N522 PolarHBondContact O-N 3.5Å; N522-S526 PolarHBondContact O-N 2.54Å; N522-S526 VanDerWaalsContact O-N 3.16Å; N522-S526 PolarHBondContact O-OG 2.86Å
523	R	84.5	Confident	81.6	Confident	128 Å²	128	64.9 Å²	64.9	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-68.1	-38.2	174.9	-70.9	179.5	-171.3	167.4	3.5	112	E519 A520 S521 S526 A527 N717	E519-R523 VanDerWaalsContact CD-NH2 3.28Å; E519-R523 WeakPolarHBondContact O-CG 3.49Å; E519-R523 PolarHBondContact O-N 3.35Å; E519-R523 VanDerWaalsContact O-N 3.08Å; E519-R523 IonicContact OE1-CZ 3.75Å; E519-R523 IonicContact OE1-NE 3.23Å; E519-R523 IonicContact OE1-NH2 2.67Å; E519-R523 PolarHBondContact OE1-NH2 2.79Å; E519-R523 IonicContact OE2-NH2 2.66Å; A520-R523 PolarHBondContact O-N 2.89Å; S521-R523 VanDerWaalsContact C-N 3.31Å; S521-R523 PolarHBondContact O-N 2.89Å; R523-S526 PolarHBondContact O-N 2.92Å; R523-A527 WeakPolarHBondContact O-CB 3.34Å; R523-A527 PolarHBondContact O-N 2.92Å; R523-N717 HydrophobicContact CB-CB 4.3Å
524	A	82.5	Confident	82	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174.9	0	0	0	0	0	111	A520 S521 S526 A527 L528 Y714 N717 M718	A520-A524 PolarHBondContact O-N 3.38Å; S521-A524 WeakPolarHBondContact O-CB 3.48Å; S521-A524 PolarHBondContact O-N 2.87Å; S521-A524 VanDerWaalsContact O-N 3.15Å; A524-S526 VanDerWaalsContact C-N 3.31Å; A524-S526 PolarHBondContact O-N 2.99Å; A524-A527 PolarHBondContact O-N 3.32Å; A524-A527 VanDerWaalsContact O-N 3.14Å; A524-L528 PolarHBondContact O-N 3.04Å; A524-Y714 HydrophobicContact CB-CD2 3.88Å; A524-Y714 HydrophobicContact CB-CE2 4.34Å; A524-Y714 WeakPolarHBondContact O-CD2 3.11Å; A524-N717 HydrophobicContact CB-CB 3.7Å; A524-M718 HydrophobicContact CB-CB 4.37Å; A524-M718 HydrophobicContact CB-CE 3.28Å
525	E	81.7	Confident	82.2	Confident	116 Å²	116	59.5 Å²	59.5	54%	0.542	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-41.9	177.9	-171.8	172.9	-166.9	0	0	112.3	S521 A527 L528 H529	S521-E525 PolarHBondContact O-N 2.93Å; E525-A527 PolarHBondContact O-N 2.82Å; E525-L528 PolarHBondContact O-N 3.45Å; E525-H529 PolarHBondContact O-CD2 2.91Å; E525-H529 PolarHBondContact O-N 3.46Å
526	S	84	Confident	82.3	Confident	82 Å²	82	56 Å²	56	57%	0.573	30%	0.299	S	S	*	.	H	α-helix	trans	-62.6	-42	175.2	-59.1	0	0	0	0	112.3	N522 R523 A524 H529 G530	N522-S526 PolarHBondContact O-N 2.54Å; N522-S526 VanDerWaalsContact O-N 3.16Å; N522-S526 PolarHBondContact O-OG 2.86Å; R523-S526 PolarHBondContact O-N 2.92Å; A524-S526 VanDerWaalsContact C-N 3.31Å; A524-S526 PolarHBondContact O-N 2.99Å; S526-H529 WeakPolarHBondContact O-CB 3.28Å; S526-H529 PolarHBondContact O-N 2.71Å; S526-G530 PolarHBondContact O-N 2.51Å
527	A	83.9	Confident	82.5	Confident	7 Å²	7	56.9 Å²	56.9	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-67.7	-35.9	177.3	0	0	0	0	0	112.1	R523 A524 E525 H529 G530 F531 S710 Q713	R523-A527 WeakPolarHBondContact O-CB 3.34Å; R523-A527 PolarHBondContact O-N 2.92Å; A524-A527 PolarHBondContact O-N 3.32Å; A524-A527 VanDerWaalsContact O-N 3.14Å; E525-A527 PolarHBondContact O-N 2.82Å; A527-H529 PolarHBondContact O-N 3.14Å; A527-G530 PolarHBondContact O-N 2.77Å; A527-F531 PolarHBondContact O-N 3.06Å; A527-S710 WeakPolarHBondContact CB-O 3.44Å; A527-S710 WeakPolarHBondContact O-CB 3.46Å; A527-Q713 HydrophobicContact CB-CB 3.73Å
528	L	82.3	Confident	82.7	Confident	74 Å²	74	56.7 Å²	56.7	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-39.3	173	-171.8	121.7	0	0	0	112	A524 E525 F531 S532 Y714	A524-L528 PolarHBondContact O-N 3.04Å; E525-L528 PolarHBondContact O-N 3.45Å; L528-F531 PolarHBondContact O-N 3.22Å; L528-S532 PolarHBondContact O-N 2.83Å; L528-Y714 HydrophobicContact CB-CD2 3.8Å; L528-Y714 HydrophobicContact CB-CE2 4.25Å; L528-Y714 HydrophobicContact CB-CG 4.27Å; L528-Y714 HydrophobicContact CD1-CD1 4.25Å; L528-Y714 HydrophobicContact CD1-CD2 3.79Å; L528-Y714 HydrophobicContact CD1-CE1 4.04Å; L528-Y714 HydrophobicContact CD1-CE2 3.54Å; L528-Y714 HydrophobicContact CD1-CG 4.13Å; L528-Y714 HydrophobicContact CG-CD2 4.45Å
529	H	84	Confident	82.8	Confident	127 Å²	127	50.3 Å²	50.3	59%	0.588	28%	0.283	S	S	*	.	H	α-helix	trans	-61.2	-44.7	171	-92	-73.5	0	0	0	112.1	E525 S526 A527 F531 S532 S533	E525-H529 PolarHBondContact O-CD2 2.91Å; E525-H529 PolarHBondContact O-N 3.46Å; S526-H529 WeakPolarHBondContact O-CB 3.28Å; S526-H529 PolarHBondContact O-N 2.71Å; A527-H529 PolarHBondContact O-N 3.14Å; H529-F531 PolarHBondContact O-N 3.43Å; H529-S532 WeakPolarHBondContact O-CB 3.44Å; H529-S532 PolarHBondContact O-N 3.06Å; H529-S533 PolarHBondContact O-N 2.92Å; H529-S533 PolarHBondContact O-OG 3.46Å
530	G	83.6	Confident	82.8	Confident	20 Å²	20	49.9 Å²	49.9	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-38.4	176.2	0	0	0	0	0	113.7	S526 A527 S533 S534	S526-G530 PolarHBondContact O-N 2.51Å; A527-G530 PolarHBondContact O-N 2.77Å; G530-S533 WeakPolarHBondContact CA-OG 2.93Å; G530-S533 PolarHBondContact O-OG 3.2Å; G530-S534 VanDerWaalsContact O-CB 3.28Å; G530-S534 WeakPolarHBondContact O-CB 3.43Å; G530-S534 PolarHBondContact O-N 3.21Å; G530-S534 PolarHBondContact O-OG 3.38Å
531	F	85.1	Confident	82.9	Confident	17 Å²	17	50.4 Å²	50.4	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-49.4	172.4	169	-104.3	0	0	0	110.7	A527 L528 H529 S533 S534 I535 A597 A707 S710 Y711	A527-F531 PolarHBondContact O-N 3.06Å; L528-F531 PolarHBondContact O-N 3.22Å; H529-F531 PolarHBondContact O-N 3.43Å; F531-S533 PolarHBondContact O-N 3.29Å; F531-S534 PolarHBondContact O-N 3.48Å; F531-I535 HydrophobicContact CD2-CG1 3.9Å; F531-I535 HydrophobicContact CE1-CG1 4.3Å; F531-I535 HydrophobicContact CE2-CD1 4.03Å; F531-I535 HydrophobicContact CE2-CG1 3.54Å; F531-I535 HydrophobicContact CG-CG1 4.46Å; F531-I535 HydrophobicContact CZ-CD1 4.46Å; F531-I535 HydrophobicContact CZ-CG1 3.75Å; F531-I535 WeakPolarHBondContact O-CB 3.33Å; F531-I535 WeakPolarHBondContact O-CG1 3.5Å; F531-I535 PolarHBondContact O-N 3.02Å; F531-A597 HydrophobicContact CE2-CB 4.08Å; F531-A597 HydrophobicContact CZ-CB 3.66Å; F531-A707 HydrophobicContact CD2-CB 3.99Å; F531-A707 WeakPolarHBondContact CD2-O 3.35Å; F531-A707 HydrophobicContact CE2-CB 4.33Å; F531-S710 VanDerWaalsContact N-CB 3.26Å; F531-Y711 HydrophobicContact CD1-CD2 4.33Å; F531-Y711 HydrophobicContact CD2-CD2 4.11Å; F531-Y711 HydrophobicContact CD2-CG 4.33Å; F531-Y711 HydrophobicContact CE1-CD2 4.35Å; F531-Y711 HydrophobicContact CE2-CD2 4.11Å; F531-Y711 HydrophobicContact CE2-CG 4.4Å; F531-Y711 HydrophobicContact CG-CD2 4.2Å; F531-Y711 HydrophobicContact CZ-CD2 4.23Å
532	S	81.3	Confident	82.8	Confident	43 Å²	43	48.3 Å²	48.3	30%	0.301	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-45.3	179.8	-170.6	0	0	0	0	112.2	L528 H529 A536	L528-S532 PolarHBondContact O-N 2.83Å; H529-S532 WeakPolarHBondContact O-CB 3.44Å; H529-S532 PolarHBondContact O-N 3.06Å; S532-A536 WeakPolarHBondContact O-CB 3.25Å; S532-A536 PolarHBondContact O-N 3.32Å
533	S	82.2	Confident	82.7	Confident	67 Å²	67	45.6 Å²	45.6	47%	0.469	26%	0.26	S	S	.	.	H	α-helix	trans	-68.2	-38.2	178.6	57.6	0	0	0	0	113.3	H529 G530 F531 A536 S537	H529-S533 PolarHBondContact O-N 2.92Å; H529-S533 PolarHBondContact O-OG 3.46Å; G530-S533 WeakPolarHBondContact CA-OG 2.93Å; G530-S533 PolarHBondContact O-OG 3.2Å; F531-S533 PolarHBondContact O-N 3.29Å; S533-A536 PolarHBondContact O-N 3.5Å; S533-S537 PolarHBondContact O-N 3.05Å; S533-S537 PolarHBondContact O-OG 3.13Å
534	S	84.6	Confident	82.1	Confident	18 Å²	18	43.7 Å²	43.7	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-40.9	179.7	-59	0	0	0	0	111.3	G530 F531 S537 A538 A703	G530-S534 VanDerWaalsContact O-CB 3.28Å; G530-S534 WeakPolarHBondContact O-CB 3.43Å; G530-S534 PolarHBondContact O-N 3.21Å; G530-S534 PolarHBondContact O-OG 3.38Å; F531-S534 PolarHBondContact O-N 3.48Å; S534-S537 WeakPolarHBondContact O-CB 3.23Å; S534-S537 PolarHBondContact O-N 2.98Å; S534-A538 PolarHBondContact O-N 2.94Å; S534-A703 WeakPolarHBondContact CB-O 3.47Å
535	I	83.7	Confident	81.6	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-40.2	174.3	-70.9	-57.6	0	0	0	112.2	F531 S537 A538 W539 T593 R594 A597 L704 A707	F531-I535 HydrophobicContact CD2-CG1 3.9Å; F531-I535 HydrophobicContact CE1-CG1 4.3Å; F531-I535 HydrophobicContact CE2-CD1 4.03Å; F531-I535 HydrophobicContact CE2-CG1 3.54Å; F531-I535 HydrophobicContact CG-CG1 4.46Å; F531-I535 HydrophobicContact CZ-CD1 4.46Å; F531-I535 HydrophobicContact CZ-CG1 3.75Å; F531-I535 WeakPolarHBondContact O-CB 3.33Å; F531-I535 WeakPolarHBondContact O-CG1 3.5Å; F531-I535 PolarHBondContact O-N 3.02Å; I535-S537 PolarHBondContact O-N 3.37Å; I535-A538 PolarHBondContact O-N 3.35Å; I535-W539 PolarHBondContact O-N 2.89Å; I535-T593 HydrophobicContact CG2-CG2 3.53Å; I535-R594 HydrophobicContact CG2-CG 4Å; I535-A597 HydrophobicContact CD1-CB 3.4Å; I535-A597 VanDerWaalsContact CD1-CB 3.4Å; I535-A597 HydrophobicContact CG1-CB 3.76Å; I535-A597 HydrophobicContact CG2-CB 4.18Å; I535-L704 HydrophobicContact CD1-CD2 4.2Å; I535-A707 HydrophobicContact CD1-CB 3.42Å; I535-A707 VanDerWaalsContact CD1-CB 3.42Å; I535-A707 HydrophobicContact CG1-CB 3.67Å
536	A	80.8	Confident	80.7	Confident	37 Å²	37	43.1 Å²	43.1	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-38.8	172.9	0	0	0	0	0	111.5	S532 S533 W539 N540	S532-A536 WeakPolarHBondContact O-CB 3.25Å; S532-A536 PolarHBondContact O-N 3.32Å; S533-A536 PolarHBondContact O-N 3.5Å; A536-W539 PolarHBondContact O-N 3.16Å; A536-N540 PolarHBondContact O-N 3.43Å; A536-N540 PolarHBondContact O-ND2 3.42Å
537	S	82.4	Confident	79.6	Confident	58 Å²	58	43.6 Å²	43.6	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-68.3	-42.1	175.4	-57.2	0	0	0	0	112.4	S533 S534 I535 W539 N540 T541	S533-S537 PolarHBondContact O-N 3.05Å; S533-S537 PolarHBondContact O-OG 3.13Å; S534-S537 WeakPolarHBondContact O-CB 3.23Å; S534-S537 PolarHBondContact O-N 2.98Å; I535-S537 PolarHBondContact O-N 3.37Å; S537-W539 VanDerWaalsContact C-N 3.32Å; S537-W539 PolarHBondContact O-N 3.43Å; S537-N540 WeakPolarHBondContact O-CB 3.32Å; S537-N540 PolarHBondContact O-N 2.86Å; S537-N540 VanDerWaalsContact O-N 3.17Å; S537-T541 PolarHBondContact O-N 3.28Å; S537-T541 PolarHBondContact O-OG1 2.8Å
538	A	84.1	Confident	78.2	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-43.4	174.6	0	0	0	0	0	111.3	S534 I535 T541 L542 L700 A703 L704	S534-A538 PolarHBondContact O-N 2.94Å; I535-A538 PolarHBondContact O-N 3.35Å; A538-T541 PolarHBondContact O-N 2.98Å; A538-L542 WeakPolarHBondContact O-CB 3.26Å; A538-L542 PolarHBondContact O-N 3.29Å; A538-L700 HydrophobicContact CB-CD1 3.92Å; A538-L700 WeakPolarHBondContact O-CD1 3.48Å; A538-A703 HydrophobicContact CB-CB 3.89Å; A538-L704 HydrophobicContact CB-CD2 3.83Å; A538-L704 HydrophobicContact CB-CG 4.1Å
539	W	83.1	Confident	76.7	Confident	11 Å²	11	56.4 Å²	56.4	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.2	174	176.6	-113.3	0	0	0	112.1	I535 A536 S537 T541 L542 S543 V578 N589 E590 T593	I535-W539 PolarHBondContact O-N 2.89Å; A536-W539 PolarHBondContact O-N 3.16Å; S537-W539 VanDerWaalsContact C-N 3.32Å; S537-W539 PolarHBondContact O-N 3.43Å; W539-T541 VanDerWaalsContact C-N 3.34Å; W539-T541 PolarHBondContact O-N 2.97Å; W539-L542 HydrophobicContact CE3-CD2 4.11Å; W539-L542 HydrophobicContact CZ3-CD2 4.16Å; W539-L542 PolarHBondContact O-N 2.71Å; W539-S543 VanDerWaalsContact O-CB 3.23Å; W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.26Å; W539-S543 PolarHBondContact O-OG 3.15Å; W539-V578 HydrophobicContact CE3-CB 4.28Å; W539-V578 HydrophobicContact CE3-CG1 3.82Å; W539-V578 HydrophobicContact CE3-CG2 4.25Å; W539-V578 HydrophobicContact CH2-CB 4.34Å; W539-V578 HydrophobicContact CH2-CG1 3.82Å; W539-V578 HydrophobicContact CZ3-CB 3.68Å; W539-V578 HydrophobicContact CZ3-CG1 3.41Å; W539-V578 VanDerWaalsContact CZ3-CG1 3.41Å; W539-V578 HydrophobicContact CZ3-CG2 4.06Å; W539-N589 HydrophobicContact CD2-CB 4.29Å; W539-N589 VanDerWaalsContact CE2-CB 3.47Å; W539-N589 HydrophobicContact CH2-CB 3.68Å; W539-N589 HydrophobicContact CZ2-CB 3.15Å; W539-N589 HydrophobicContact CZ3-CB 4.42Å; W539-E590 PolarHBondContact NE1-OE1 3.16Å; W539-T593 HydrophobicContact CB-CG2 4.2Å
540	N	81.6	Confident	75.2	Confident	85 Å²	85	53.2 Å²	53.2	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-45.1	177	-73.7	-33.5	0	0	0	111.6	A536 S537 S543 Q544	A536-N540 PolarHBondContact O-N 3.43Å; A536-N540 PolarHBondContact O-ND2 3.42Å; S537-N540 WeakPolarHBondContact O-CB 3.32Å; S537-N540 PolarHBondContact O-N 2.86Å; S537-N540 VanDerWaalsContact O-N 3.17Å; N540-S543 PolarHBondContact O-OG 3.24Å; N540-Q544 WeakPolarHBondContact O-CG 3.31Å; N540-Q544 PolarHBondContact O-N 3.03Å
541	T	80	Confident	73.5	Confident	16 Å²	16	58 Å²	58	10%	0.098	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-44.3	176.7	-55.6	0	0	0	0	112.2	S537 A538 W539 S543 Q544 F545 R696 Q699 L700	S537-T541 PolarHBondContact O-N 3.28Å; S537-T541 PolarHBondContact O-OG1 2.8Å; A538-T541 PolarHBondContact O-N 2.98Å; W539-T541 VanDerWaalsContact C-N 3.34Å; W539-T541 PolarHBondContact O-N 2.97Å; T541-S543 VanDerWaalsContact C-N 3.32Å; T541-S543 PolarHBondContact O-N 2.96Å; T541-Q544 PolarHBondContact O-N 2.92Å; T541-F545 PolarHBondContact O-N 3.47Å; T541-F545 VanDerWaalsContact O-N 3.14Å; T541-R696 HydrophobicContact CG2-CB 4.29Å; T541-R696 WeakPolarHBondContact CG2-O 3.43Å; T541-Q699 HydrophobicContact CG2-CB 4.1Å; T541-L700 HydrophobicContact CG2-CB 3.94Å
542	L	81.4	Confident	71.3	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-38	178.2	-173.4	66.5	0	0	0	112.1	A538 W539 Q544 F545 A571 M574 R575 L700	A538-L542 WeakPolarHBondContact O-CB 3.26Å; A538-L542 PolarHBondContact O-N 3.29Å; W539-L542 HydrophobicContact CE3-CD2 4.11Å; W539-L542 HydrophobicContact CZ3-CD2 4.16Å; W539-L542 PolarHBondContact O-N 2.71Å; L542-Q544 PolarHBondContact O-N 3.25Å; L542-F545 WeakPolarHBondContact O-CB 3.24Å; L542-F545 PolarHBondContact O-N 2.82Å; L542-A571 HydrophobicContact CD1-CB 3.95Å; L542-A571 WeakPolarHBondContact CD1-O 3.38Å; L542-M574 HydrophobicContact CD1-CB 4.26Å; L542-M574 HydrophobicContact CD1-SD 4.44Å; L542-M574 HydrophobicContact CD2-CB 3.92Å; L542-M574 HydrophobicContact CD2-CG 3.69Å; L542-M574 HydrophobicContact CD2-SD 3.96Å; L542-R575 HydrophobicContact CD2-CB 4.31Å; L542-R575 HydrophobicContact CG-CB 4.28Å; L542-L700 HydrophobicContact CB-CD1 4.29Å; L542-L700 HydrophobicContact CD1-CD2 3.99Å
543	S	79.1	Confident	69.4	Low	43 Å²	43	66 Å²	66	30%	0.301	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-31.6	177.8	78.3	0	0	0	0	112	W539 N540 T541 R575	W539-S543 VanDerWaalsContact O-CB 3.23Å; W539-S543 WeakPolarHBondContact O-CB 3.42Å; W539-S543 PolarHBondContact O-N 3.26Å; W539-S543 PolarHBondContact O-OG 3.15Å; N540-S543 PolarHBondContact O-OG 3.24Å; T541-S543 VanDerWaalsContact C-N 3.32Å; T541-S543 PolarHBondContact O-N 2.96Å; S543-R575 PolarHBondContact O-NH1 3.22Å
544	Q	73.2	Confident	67.5	Low	87 Å²	87	64 Å²	64	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-82.7	-21.4	177.5	-67.3	174.3	17.4	0	0	113.2	N540 T541 L542 G546 S547	N540-Q544 WeakPolarHBondContact O-CG 3.31Å; N540-Q544 PolarHBondContact O-N 3.03Å; T541-Q544 PolarHBondContact O-N 2.92Å; L542-Q544 PolarHBondContact O-N 3.25Å; Q544-G546 PolarHBondContact O-N 3.46Å; Q544-S547 PolarHBondContact O-N 2.89Å; Q544-S547 PolarHBondContact O-OG 3.46Å
545	F	71.7	Confident	65.7	Low	44 Å²	44	70.7 Å²	70.7	19%	0.193	43%	0.425	C	S	.	.	H	α-helix	trans	-59.8	-30.3	179.5	-165.2	-85.9	0	0	0	112.6	T541 L542 S547 A571 V697	T541-F545 PolarHBondContact O-N 3.47Å; T541-F545 VanDerWaalsContact O-N 3.14Å; L542-F545 WeakPolarHBondContact O-CB 3.24Å; L542-F545 PolarHBondContact O-N 2.82Å; F545-S547 VanDerWaalsContact C-N 3.27Å; F545-S547 PolarHBondContact O-N 3.38Å; F545-A571 HydrophobicContact CD1-CB 3.47Å; F545-A571 VanDerWaalsContact CD1-CB 3.47Å; F545-A571 HydrophobicContact CD2-CB 4.2Å; F545-A571 HydrophobicContact CE1-CB 3.57Å; F545-A571 HydrophobicContact CE2-CB 4.26Å; F545-A571 HydrophobicContact CG-CB 3.81Å; F545-A571 HydrophobicContact CZ-CB 3.96Å; F545-V697 HydrophobicContact CE2-CG2 3.71Å
546	G	63.7	Low	64.1	Low	61 Å²	61	74.2 Å²	74.2	63%	0.629	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.9	-180	0	0	0	0	0	115.7	Q544	Q544-G546 PolarHBondContact O-N 3.46Å
547	S	60.2	Low	62.7	Low	91 Å²	91	75.8 Å²	75.8	64%	0.636	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.7	-175.8	58.8	0	0	0	0	115.3	Q544 F545	Q544-S547 PolarHBondContact O-N 2.89Å; Q544-S547 PolarHBondContact O-OG 3.46Å; F545-S547 VanDerWaalsContact C-N 3.27Å; F545-S547 PolarHBondContact O-N 3.38Å
548	N	54.8	Low	61.2	Low	94 Å²	94	75.4 Å²	75.4	50%	0.503	47%	0.472	S	S	.	.			trans	-109.4	49.9	-169.2	-88.5	19.7	0	0	0	114.2	G550	N548-G550 VanDerWaalsContact C-N 3.3Å; N548-G550 PolarHBondContact O-N 2.69Å
549	R	51.1	Low	59.5	Low	256 Å²	256	78.7 Å²	78.7	97%	0.966	50%	0.499	S	S	*	.			trans	-79.5	73.9	172.3	-162.2	174.3	-173.5	136.5	0.1	110
550	G	51.7	Low	58	Low	60 Å²	60	81 Å²	81	62%	0.619	51%	0.513	S	S	*	.			trans	-140.6	113.2	-177.6	0	0	0	0	0	113.1	N548	N548-G550 VanDerWaalsContact C-N 3.3Å; N548-G550 PolarHBondContact O-N 2.69Å
551	S	46.8	Very low	56.5	Low	120 Å²	120	80.2 Å²	80.2	84%	0.839	51%	0.514	S	S	*	.			trans	-54.7	129.3	175.8	172.4	0	0	0	0	112.8
552	S	40.8	Very low	55.3	Low	71 Å²	71	83.9 Å²	83.9	50%	0.497	54%	0.536	S	S	.	.			trans	-118	126.2	169.4	-168.5	0	0	0	0	109.5	S554 N691	S552-S554 PolarHBondContact O-N 3.45Å; S552-N691 VanDerWaalsContact CB-ND2 3.32Å; S552-N691 WeakPolarHBondContact CB-ND2 3.49Å; S552-N691 WeakPolarHBondContact CB-OD1 3.39Å
553	D	41	Very low	54.1	Low	159 Å²	159	88 Å²	88	85%	0.85	56%	0.556	S	S	*	*			trans	-71.4	89.9	-175.2	-70.9	-39.8	0	0	0	111.4
554	S	42.6	Very low	53.3	Low	25 Å²	25	88.9 Å²	88.9	18%	0.175	56%	0.562	C	S	.	*			trans	-88.1	139.7	160.1	69	0	0	0	0	109.4	S552 T556 G557 D560	S552-S554 PolarHBondContact O-N 3.45Å; S554-T556 PolarHBondContact O-N 3.17Å; S554-T556 PolarHBondContact OG-OG1 3.44Å; S554-G557 PolarHBondContact O-N 2.8Å; S554-D560 PolarHBondContact OG-OD2 3.09Å
555	V	45	Very low	53	Low	158 Å²	158	87.5 Å²	87.5	96%	0.958	57%	0.566	S	S	*	*	S	Bend	trans	-69.4	0.5	-177.6	-131.5	0	0	0	0	113
556	T	51.4	Low	53.1	Low	78 Å²	78	89.9 Å²	89.9	48%	0.479	58%	0.578	S	S	.	*			trans	-103.8	43.1	176.5	40.9	0	0	0	0	111.1	S554 G558 A559 D560	S554-T556 PolarHBondContact O-N 3.17Å; S554-T556 PolarHBondContact OG-OG1 3.44Å; T556-G558 PolarHBondContact O-N 3.49Å; T556-A559 PolarHBondContact O-N 2.83Å; T556-D560 WeakPolarHBondContact CB-OD2 3.16Å; T556-D560 PolarHBondContact OG1-OD2 3.42Å
557	G	50.6	Low	53.6	Low	69 Å²	69	87.3 Å²	87.3	71%	0.711	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	34.1	-171	0	0	0	0	0	118.3	S554	S554-G557 PolarHBondContact O-N 2.8Å
558	G	51.7	Low	54.3	Low	51 Å²	51	85.7 Å²	85.7	53%	0.526	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-22	172.4	0	0	0	0	0	114.7	T556	T556-G558 PolarHBondContact O-N 3.49Å
559	A	48.1	Very low	55.5	Low	72 Å²	72	86.1 Å²	86.1	60%	0.595	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-36.5	173.6	0	0	0	0	0	111.3	T556 S561 T562	T556-A559 PolarHBondContact O-N 2.83Å; A559-S561 PolarHBondContact O-N 2.94Å; A559-T562 PolarHBondContact O-N 3.48Å
560	D	52.1	Low	57.2	Low	60 Å²	60	74.7 Å²	74.7	32%	0.321	50%	0.496	S	S	.	.	H	α-helix	trans	-72.8	-24.5	-175.3	-65.3	-36.3	0	0	0	113.9	S554 T556 S564	S554-D560 PolarHBondContact OG-OD2 3.09Å; T556-D560 WeakPolarHBondContact CB-OD2 3.16Å; T556-D560 PolarHBondContact OG1-OD2 3.42Å; D560-S564 WeakPolarHBondContact O-CB 3.32Å; D560-S564 PolarHBondContact O-N 2.89Å; D560-S564 PolarHBondContact O-OG 2.73Å
561	S	49.9	Very low	58.6	Low	68 Å²	68	71.9 Å²	71.9	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-73.6	-25.2	178.6	53	0	0	0	0	113.8	A559 A565	A559-S561 PolarHBondContact O-N 2.94Å; S561-A565 WeakPolarHBondContact O-CB 3.02Å
562	T	54.5	Low	60.4	Low	93 Å²	93	69.5 Å²	69.5	57%	0.571	45%	0.451	S	S	*	.	H	α-helix	trans	-82.9	-39.3	-176.8	-48.8	0	0	0	0	110.9	A559 Q566	A559-T562 PolarHBondContact O-N 3.48Å; T562-Q566 PolarHBondContact O-N 3.43Å
563	M	55.9	Low	62.6	Low	88 Å²	88	70 Å²	70	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-49.7	178	-159	94.9	78	0	0	111.5	A565 Q566 D567	M563-A565 VanDerWaalsContact C-N 3.33Å; M563-A565 PolarHBondContact O-N 2.65Å; M563-Q566 PolarHBondContact O-N 2.88Å; M563-Q566 VanDerWaalsContact O-N 3.12Å; M563-D567 PolarHBondContact O-N 2.75Å
564	S	61.7	Low	64.8	Low	61 Å²	61	62.5 Å²	62.5	43%	0.427	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-30.4	-178	57.1	0	0	0	0	114.3	D560 S568	D560-S564 WeakPolarHBondContact O-CB 3.32Å; D560-S564 PolarHBondContact O-N 2.89Å; D560-S564 PolarHBondContact O-OG 2.73Å; S564-S568 WeakPolarHBondContact O-CB 3.42Å; S564-S568 PolarHBondContact O-N 3.3Å; S564-S568 VanDerWaalsContact O-N 3.09Å; S564-S568 PolarHBondContact O-OG 3.12Å
565	A	67.3	Low	67	Low	59 Å²	59	65 Å²	65	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-69.6	-38.5	173.6	0	0	0	0	0	112.1	S561 M563 M569	S561-A565 WeakPolarHBondContact O-CB 3.02Å; M563-A565 VanDerWaalsContact C-N 3.33Å; M563-A565 PolarHBondContact O-N 2.65Å; A565-M569 WeakPolarHBondContact O-CB 3.42Å; A565-M569 PolarHBondContact O-N 2.87Å
566	Q	74.7	Confident	69.1	Low	93 Å²	93	60.4 Å²	60.4	44%	0.435	38%	0.382	S	S	.	.	H	α-helix	trans	-72.7	-41.8	177.8	-166.5	163.3	-15.8	0	0	111.7	T562 M563 S568 M569 M570 Y676	T562-Q566 PolarHBondContact O-N 3.43Å; M563-Q566 PolarHBondContact O-N 2.88Å; M563-Q566 VanDerWaalsContact O-N 3.12Å; Q566-S568 VanDerWaalsContact C-N 3.31Å; Q566-S568 PolarHBondContact O-N 3.47Å; Q566-M569 PolarHBondContact O-N 3.42Å; Q566-M570 WeakPolarHBondContact O-CG 3.44Å; Q566-M570 PolarHBondContact O-N 2.75Å; Q566-Y676 HydrophobicContact CG-CE2 3.76Å
567	D	74.4	Confident	70.9	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.043	36%	0.359	C	S	.	.	H	α-helix	trans	-55.3	-47.5	171.5	-71	-43.7	0	0	0	111.9	M563 M569 M570 A571 Y676 R680 V697	M563-D567 PolarHBondContact O-N 2.75Å; D567-M569 VanDerWaalsContact C-N 3.32Å; D567-M569 PolarHBondContact O-N 3.3Å; D567-M570 PolarHBondContact O-N 3.19Å; D567-A571 WeakPolarHBondContact O-CB 3.41Å; D567-A571 PolarHBondContact O-N 3.45Å; D567-Y676 PolarHBondContact N-OH 3.44Å; D567-Y676 VanDerWaalsContact OD1-CE1 3.26Å; D567-Y676 WeakPolarHBondContact OD1-CE1 3.49Å; D567-Y676 PolarHBondContact OD1-OH 2.95Å; D567-R680 IonicContact OD1-CZ 3.79Å; D567-R680 IonicContact OD1-NH1 3.68Å; D567-R680 PolarHBondContact OD1-NH1 3.43Å; D567-R680 IonicContact OD2-CZ 2.78Å; D567-R680 IonicContact OD2-NH1 3.99Å; D567-R680 PolarHBondContact OD2-NH1 2.98Å; D567-V697 HydrophobicContact CB-CG2 4.24Å
568	S	73.9	Confident	72.8	Confident	57 Å²	57	53.4 Å²	53.4	40%	0.399	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-38.1	-179.4	-61.8	0	0	0	0	112.3	S564 Q566 S572	S564-S568 WeakPolarHBondContact O-CB 3.42Å; S564-S568 PolarHBondContact O-N 3.3Å; S564-S568 VanDerWaalsContact O-N 3.09Å; S564-S568 PolarHBondContact O-OG 3.12Å; Q566-S568 VanDerWaalsContact C-N 3.31Å; Q566-S568 PolarHBondContact O-N 3.47Å; S568-S572 VanDerWaalsContact O-CB 3.25Å; S568-S572 WeakPolarHBondContact O-CB 3.46Å; S568-S572 PolarHBondContact O-N 2.71Å
569	M	81.1	Confident	74.5	Confident	102 Å²	102	53.3 Å²	53.3	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-46.3	175.3	-171.5	-177	-59.7	0	0	111.1	A565 Q566 D567 S572 R573	A565-M569 WeakPolarHBondContact O-CB 3.42Å; A565-M569 PolarHBondContact O-N 2.87Å; Q566-M569 PolarHBondContact O-N 3.42Å; D567-M569 VanDerWaalsContact C-N 3.32Å; D567-M569 PolarHBondContact O-N 3.3Å; M569-S572 PolarHBondContact O-N 2.94Å; M569-R573 WeakPolarHBondContact O-CG 3.36Å; M569-R573 PolarHBondContact O-N 3.43Å
570	M	85.5	Confident	76.4	Confident	16 Å²	16	52 Å²	52	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-71.7	-41	-177.9	-65.4	-57	-178.7	0	0	112.2	Q566 D567 S572 R573 M574 A673 Y676 F677	Q566-M570 WeakPolarHBondContact O-CG 3.44Å; Q566-M570 PolarHBondContact O-N 2.75Å; D567-M570 PolarHBondContact O-N 3.19Å; M570-S572 VanDerWaalsContact C-N 3.32Å; M570-S572 PolarHBondContact O-N 3.12Å; M570-R573 PolarHBondContact O-N 3.08Å; M570-M574 WeakPolarHBondContact O-CB 3.45Å; M570-M574 PolarHBondContact O-N 3.14Å; M570-A673 HydrophobicContact CB-CB 4.22Å; M570-A673 WeakPolarHBondContact O-CB 3.33Å; M570-Y676 HydrophobicContact CB-CD1 3.55Å; M570-Y676 HydrophobicContact CB-CE1 4.02Å; M570-Y676 HydrophobicContact CB-CG 4.07Å; M570-Y676 HydrophobicContact CG-CD1 3.57Å; M570-Y676 HydrophobicContact CG-CD2 4.13Å; M570-Y676 HydrophobicContact CG-CE1 4.01Å; M570-Y676 HydrophobicContact CG-CG 3.62Å; M570-F677 HydrophobicContact CB-CE2 3.9Å; M570-F677 HydrophobicContact CB-CZ 3.97Å
571	A	82.7	Confident	78.2	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-42.4	172.4	0	0	0	0	0	111.3	L542 F545 D567 M574 R575 F677	L542-A571 HydrophobicContact CD1-CB 3.95Å; L542-A571 WeakPolarHBondContact CD1-O 3.38Å; F545-A571 HydrophobicContact CD1-CB 3.47Å; F545-A571 VanDerWaalsContact CD1-CB 3.47Å; F545-A571 HydrophobicContact CD2-CB 4.2Å; F545-A571 HydrophobicContact CE1-CB 3.57Å; F545-A571 HydrophobicContact CE2-CB 4.26Å; F545-A571 HydrophobicContact CG-CB 3.81Å; F545-A571 HydrophobicContact CZ-CB 3.96Å; D567-A571 WeakPolarHBondContact O-CB 3.41Å; D567-A571 PolarHBondContact O-N 3.45Å; A571-M574 PolarHBondContact O-N 2.92Å; A571-R575 WeakPolarHBondContact O-CB 3.22Å; A571-R575 PolarHBondContact O-N 3.38Å; A571-F677 HydrophobicContact CB-CE2 4.23Å; A571-F677 HydrophobicContact CB-CZ 3.83Å
572	S	84.1	Confident	80	Confident	69 Å²	69	46.1 Å²	46.1	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-40.9	176.1	-172.4	0	0	0	0	112.4	S568 M569 M570 R575 S576	S568-S572 VanDerWaalsContact O-CB 3.25Å; S568-S572 WeakPolarHBondContact O-CB 3.46Å; S568-S572 PolarHBondContact O-N 2.71Å; M569-S572 PolarHBondContact O-N 2.94Å; M570-S572 VanDerWaalsContact C-N 3.32Å; M570-S572 PolarHBondContact O-N 3.12Å; S572-R575 PolarHBondContact O-N 3.13Å; S572-S576 WeakPolarHBondContact O-CB 3.47Å; S572-S576 PolarHBondContact O-N 3.43Å; S572-S576 PolarHBondContact O-OG 2.79Å; S572-S576 VanDerWaalsContact O-OG 3.13Å
573	R	87.6	Confident	81.6	Confident	82 Å²	82	49.1 Å²	49.1	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-47.5	175.3	-77.4	-172.1	-171.2	-177.5	12.6	111.4	M569 M570 R575 S576 A577 E672	M569-R573 WeakPolarHBondContact O-CG 3.36Å; M569-R573 PolarHBondContact O-N 3.43Å; M570-R573 PolarHBondContact O-N 3.08Å; R573-R575 VanDerWaalsContact C-N 3.34Å; R573-R575 PolarHBondContact O-N 3.03Å; R573-S576 PolarHBondContact O-N 3.38Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.28Å; R573-E672 IonicContact CZ-OE1 2.86Å; R573-E672 IonicContact NH1-OE1 3.88Å; R573-E672 PolarHBondContact NH1-OE1 3.36Å; R573-E672 IonicContact NH1-OE2 3.01Å; R573-E672 PolarHBondContact NH1-OE2 3.39Å
574	M	87.4	Confident	83	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-45.9	177.4	-161.5	173.6	-164.7	0	0	111.5	L542 M570 A571 A577 V578 F670 A673 F677 L704	L542-M574 HydrophobicContact CD1-CB 4.26Å; L542-M574 HydrophobicContact CD1-SD 4.44Å; L542-M574 HydrophobicContact CD2-CB 3.92Å; L542-M574 HydrophobicContact CD2-CG 3.69Å; L542-M574 HydrophobicContact CD2-SD 3.96Å; M570-M574 WeakPolarHBondContact O-CB 3.45Å; M570-M574 PolarHBondContact O-N 3.14Å; A571-M574 PolarHBondContact O-N 2.92Å; M574-A577 WeakPolarHBondContact O-CB 3.41Å; M574-A577 PolarHBondContact O-N 3.33Å; M574-V578 WeakPolarHBondContact O-CG2 3.31Å; M574-V578 PolarHBondContact O-N 3.06Å; M574-F670 HydrophobicContact CE-CD1 4.32Å; M574-F670 HydrophobicContact CE-CD2 4Å; M574-F670 HydrophobicContact CE-CE1 3.71Å; M574-F670 HydrophobicContact CE-CE2 3.37Å; M574-F670 HydrophobicContact CE-CG 4.44Å; M574-F670 HydrophobicContact CE-CZ 3.21Å; M574-F670 HydrophobicContact CG-CD2 3.74Å; M574-F670 HydrophobicContact CG-CE2 3.84Å; M574-F670 HydrophobicContact CG-CG 4.44Å; M574-F670 HydrophobicContact SD-CE2 4.47Å; M574-A673 HydrophobicContact CB-CB 3.65Å; M574-A673 HydrophobicContact CG-CB 4.22Å; M574-F677 HydrophobicContact SD-CD2 4.33Å; M574-L704 HydrophobicContact CE-CD1 3.8Å; M574-L704 HydrophobicContact CE-CD2 3.55Å; M574-L704 HydrophobicContact CE-CG 4.32Å; M574-L704 HydrophobicContact SD-CD1 4.07Å
575	R	87.8	Confident	84.2	Confident	76 Å²	76	45.9 Å²	45.9	29%	0.287	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-46.1	177.9	-174.1	-172.8	173.7	107.1	10.2	111.8	L542 S543 A571 S572 R573 A577 V578 E579	L542-R575 HydrophobicContact CD2-CB 4.31Å; L542-R575 HydrophobicContact CG-CB 4.28Å; S543-R575 PolarHBondContact O-NH1 3.22Å; A571-R575 WeakPolarHBondContact O-CB 3.22Å; A571-R575 PolarHBondContact O-N 3.38Å; S572-R575 PolarHBondContact O-N 3.13Å; R573-R575 VanDerWaalsContact C-N 3.34Å; R573-R575 PolarHBondContact O-N 3.03Å; R575-A577 VanDerWaalsContact C-N 3.28Å; R575-A577 PolarHBondContact O-N 3.04Å; R575-V578 PolarHBondContact O-N 2.82Å; R575-E579 HydrophobicContact CG-CG 4.45Å; R575-E579 IonicContact CZ-OE1 2.87Å; R575-E579 VanDerWaalsContact CZ-OE1 3.23Å; R575-E579 IonicContact NE-OE1 3.36Å; R575-E579 PolarHBondContact NE-OE1 3.48Å; R575-E579 IonicContact NH2-OE1 2.59Å; R575-E579 PolarHBondContact NH2-OE1 3.23Å; R575-E579 WeakPolarHBondContact O-CB 3.33Å; R575-E579 WeakPolarHBondContact O-CG 3.37Å; R575-E579 PolarHBondContact O-N 3.26Å
576	S	88.1	Confident	85.1	Confident	62 Å²	62	50 Å²	50	43%	0.434	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-35.2	177.7	-72.7	0	0	0	0	112.4	S572 R573 S580	S572-S576 WeakPolarHBondContact O-CB 3.47Å; S572-S576 PolarHBondContact O-N 3.43Å; S572-S576 PolarHBondContact O-OG 2.79Å; S572-S576 VanDerWaalsContact O-OG 3.13Å; R573-S576 PolarHBondContact O-N 3.38Å; S576-S580 WeakPolarHBondContact O-CB 3.36Å; S576-S580 PolarHBondContact O-N 3.15Å; S576-S580 PolarHBondContact O-OG 3Å
577	A	90.3	Very high	85.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-46.4	173.5	0	0	0	0	0	112.2	R573 M574 R575 S580 Y581 A666 D669 F670	R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.28Å; M574-A577 WeakPolarHBondContact O-CB 3.41Å; M574-A577 PolarHBondContact O-N 3.33Å; R575-A577 VanDerWaalsContact C-N 3.28Å; R575-A577 PolarHBondContact O-N 3.04Å; A577-S580 PolarHBondContact O-N 2.84Å; A577-S580 PolarHBondContact O-OG 3.15Å; A577-Y581 VanDerWaalsContact O-CB 3.27Å; A577-Y581 WeakPolarHBondContact O-CB 3.01Å; A577-Y581 PolarHBondContact O-N 3.27Å; A577-A666 HydrophobicContact CB-CB 4.24Å; A577-A666 WeakPolarHBondContact CB-O 3.35Å; A577-D669 HydrophobicContact CB-CB 3.98Å; A577-F670 HydrophobicContact CB-CB 3.97Å
578	V	89.4	Confident	86.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-47.8	175.4	174.8	0	0	0	0	111	W539 M574 R575 S580 Y581 A582 N589 A592 T593 L596 F670	W539-V578 HydrophobicContact CE3-CB 4.28Å; W539-V578 HydrophobicContact CE3-CG1 3.82Å; W539-V578 HydrophobicContact CE3-CG2 4.25Å; W539-V578 HydrophobicContact CH2-CB 4.34Å; W539-V578 HydrophobicContact CH2-CG1 3.82Å; W539-V578 HydrophobicContact CZ3-CB 3.68Å; W539-V578 HydrophobicContact CZ3-CG1 3.41Å; W539-V578 VanDerWaalsContact CZ3-CG1 3.41Å; W539-V578 HydrophobicContact CZ3-CG2 4.06Å; M574-V578 WeakPolarHBondContact O-CG2 3.31Å; M574-V578 PolarHBondContact O-N 3.06Å; R575-V578 PolarHBondContact O-N 2.82Å; V578-S580 PolarHBondContact O-N 3.27Å; V578-Y581 PolarHBondContact O-N 3.4Å; V578-A582 WeakPolarHBondContact O-CB 3.39Å; V578-A582 PolarHBondContact O-N 2.77Å; V578-N589 HydrophobicContact CG1-CB 3.85Å; V578-N589 VanDerWaalsContact CG1-O 3.29Å; V578-N589 WeakPolarHBondContact CG1-O 3.49Å; V578-A592 HydrophobicContact CG1-CB 3.99Å; V578-T593 VanDerWaalsContact CG1-OG1 3.29Å; V578-T593 WeakPolarHBondContact CG1-OG1 3.45Å; V578-T593 HydrophobicContact CG2-CG2 4.31Å; V578-L596 HydrophobicContact CG2-CD1 4.12Å; V578-F670 HydrophobicContact CG2-CD2 3.76Å; V578-F670 HydrophobicContact CG2-CE2 3.65Å
579	E	88.8	Confident	86.7	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.229	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-36.1	-178.8	-74.2	-176.5	-175.1	0	0	112.6	R575 K583	R575-E579 HydrophobicContact CG-CG 4.45Å; R575-E579 IonicContact CZ-OE1 2.87Å; R575-E579 VanDerWaalsContact CZ-OE1 3.23Å; R575-E579 IonicContact NE-OE1 3.36Å; R575-E579 PolarHBondContact NE-OE1 3.48Å; R575-E579 IonicContact NH2-OE1 2.59Å; R575-E579 PolarHBondContact NH2-OE1 3.23Å; R575-E579 WeakPolarHBondContact O-CB 3.33Å; R575-E579 WeakPolarHBondContact O-CG 3.37Å; R575-E579 PolarHBondContact O-N 3.26Å; E579-K583 WeakPolarHBondContact O-CB 3.36Å; E579-K583 WeakPolarHBondContact O-CD 3.26Å; E579-K583 WeakPolarHBondContact O-CG 3.24Å; E579-K583 PolarHBondContact O-N 2.97Å; E579-K583 VanDerWaalsContact O-N 3.08Å
580	S	88.1	Confident	86.8	Confident	44 Å²	44	48.4 Å²	48.4	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-70.5	-42.3	177.4	68	0	0	0	0	111.5	S576 A577 V578 K583 A584	S576-S580 WeakPolarHBondContact O-CB 3.36Å; S576-S580 PolarHBondContact O-N 3.15Å; S576-S580 PolarHBondContact O-OG 3Å; A577-S580 PolarHBondContact O-N 2.84Å; A577-S580 PolarHBondContact O-OG 3.15Å; V578-S580 PolarHBondContact O-N 3.27Å; S580-K583 PolarHBondContact O-N 3.39Å; S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.09Å; S580-A584 PolarHBondContact O-N 2.88Å
581	Y	88.5	Confident	86.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-45	176.3	-169.7	-89.3	0	0	0	111.6	A577 V578 K583 A584 H585 I587 A592 E595 L596 R599 D663 A666	A577-Y581 VanDerWaalsContact O-CB 3.27Å; A577-Y581 WeakPolarHBondContact O-CB 3.01Å; A577-Y581 PolarHBondContact O-N 3.27Å; V578-Y581 PolarHBondContact O-N 3.4Å; Y581-K583 VanDerWaalsContact C-N 3.33Å; Y581-K583 PolarHBondContact O-N 2.98Å; Y581-A584 PolarHBondContact O-N 3.37Å; Y581-H585 AromaticContact CD1-CD2 3.84Å; Y581-H585 AromaticContact CD2-CD2 3.75Å; Y581-H585 AromaticContact CD2-NE2 3.92Å; Y581-H585 AromaticContact CE1-CD2 3.68Å; Y581-H585 AromaticContact CE2-CD2 3.59Å; Y581-H585 AromaticContact CE2-NE2 3.48Å; Y581-H585 WeakPolarHBondContact CE2-NE2 3.48Å; Y581-H585 AromaticContact CG-CD2 3.88Å; Y581-H585 AromaticContact CZ-CD2 3.56Å; Y581-H585 AromaticContact CZ-NE2 3.68Å; Y581-H585 PolarHBondContact O-CD2 3.34Å; Y581-H585 PolarHBondContact O-N 3.07Å; Y581-I587 HydrophobicContact CD1-CD1 3.83Å; Y581-I587 HydrophobicContact CE1-CD1 3.6Å; Y581-A592 HydrophobicContact CD1-CB 3.65Å; Y581-A592 HydrophobicContact CE1-CB 4.47Å; Y581-E595 HydrophobicContact CE1-CB 3.86Å; Y581-E595 VanDerWaalsContact CE1-OE2 3.23Å; Y581-E595 WeakPolarHBondContact CE1-OE2 3.14Å; Y581-E595 PolarHBondContact OH-OE2 3.33Å; Y581-L596 HydrophobicContact CD1-CD1 4.42Å; Y581-L596 HydrophobicContact CD1-CG 4.15Å; Y581-L596 HydrophobicContact CD2-CD2 3.7Å; Y581-L596 HydrophobicContact CD2-CG 4.15Å; Y581-L596 HydrophobicContact CE2-CD2 4.11Å; Y581-L596 HydrophobicContact CG-CD1 4.03Å; Y581-L596 HydrophobicContact CG-CD2 3.95Å; Y581-L596 HydrophobicContact CG-CG 3.91Å; Y581-R599 PolarHBondContact OH-NE 3.42Å; Y581-R599 PolarHBondContact OH-NH2 3.4Å; Y581-R599 VanDerWaalsContact OH-NH2 3.08Å; Y581-D663 HydrophobicContact CE2-CB 4.5Å; Y581-A666 HydrophobicContact CD2-CB 4.29Å
582	A	89	Confident	86.9	Confident	6 Å²	6	50.8 Å²	50.8	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-44.8	175.1	0	0	0	0	0	112.1	V578 N586 I587 N589 A592	V578-A582 WeakPolarHBondContact O-CB 3.39Å; V578-A582 PolarHBondContact O-N 2.77Å; A582-N586 WeakPolarHBondContact O-CA 3.28Å; A582-N586 PolarHBondContact O-N 3.03Å; A582-I587 WeakPolarHBondContact CB-O 3.19Å; A582-I587 PolarHBondContact O-N 3.17Å; A582-N589 WeakPolarHBondContact CB-OD1 3.03Å; A582-A592 HydrophobicContact CB-CB 3.71Å
583	K	87.3	Confident	86.9	Confident	156 Å²	156	47.6 Å²	47.6	68%	0.678	24%	0.242	S	C	*	.	H	α-helix	trans	-68.2	-36.3	176.3	-75	172.9	-174.6	169.1	0	112.9	E579 S580 Y581	E579-K583 WeakPolarHBondContact O-CB 3.36Å; E579-K583 WeakPolarHBondContact O-CD 3.26Å; E579-K583 WeakPolarHBondContact O-CG 3.24Å; E579-K583 PolarHBondContact O-N 2.97Å; E579-K583 VanDerWaalsContact O-N 3.08Å; S580-K583 PolarHBondContact O-N 3.39Å; Y581-K583 VanDerWaalsContact C-N 3.33Å; Y581-K583 PolarHBondContact O-N 2.98Å
584	A	86.5	Confident	86.7	Confident	13 Å²	13	48.7 Å²	48.7	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-69.5	-36	178.9	0	0	0	0	0	112.6	S580 Y581 I662	S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.09Å; S580-A584 PolarHBondContact O-N 2.88Å; Y581-A584 PolarHBondContact O-N 3.37Å; A584-I662 HydrophobicContact CB-CB 4.47Å; A584-I662 HydrophobicContact CB-CD1 4.35Å; A584-I662 HydrophobicContact CB-CG2 3.78Å
585	H	85.9	Confident	86.5	Confident	68 Å²	68	51.1 Å²	51.1	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-100.4	-2.1	-176.2	-71.3	-75	0	0	0	115	Y581 I587 D663	Y581-H585 AromaticContact CD1-CD2 3.84Å; Y581-H585 AromaticContact CD2-CD2 3.75Å; Y581-H585 AromaticContact CD2-NE2 3.92Å; Y581-H585 AromaticContact CE1-CD2 3.68Å; Y581-H585 AromaticContact CE2-CD2 3.59Å; Y581-H585 AromaticContact CE2-NE2 3.48Å; Y581-H585 WeakPolarHBondContact CE2-NE2 3.48Å; Y581-H585 AromaticContact CG-CD2 3.88Å; Y581-H585 AromaticContact CZ-CD2 3.56Å; Y581-H585 AromaticContact CZ-NE2 3.68Å; Y581-H585 PolarHBondContact O-CD2 3.34Å; Y581-H585 PolarHBondContact O-N 3.07Å; H585-I587 HydrophobicContact CB-CD1 3.95Å; H585-I587 HydrophobicContact CB-CG1 3.93Å; H585-I587 HydrophobicContact CB-CG2 4.17Å; H585-I587 PolarHBondContact O-N 3.05Å; H585-D663 IonicContact CD2-OD1 3.27Å; H585-D663 IonicContact CE1-OD1 2.84Å; H585-D663 IonicContact CE1-OD2 3.79Å; H585-D663 PolarHBondContact CE1-OD2 2.99Å; H585-D663 IonicContact NE2-OD1 3.78Å; H585-D663 PolarHBondContact NE2-OD1 2.92Å; H585-D663 IonicContact NE2-OD2 2.85Å; H585-D663 PolarHBondContact NE2-OD2 2.94Å; H585-D663 VanDerWaalsContact NE2-OD2 3.08Å
586	N	86.7	Confident	86.4	Confident	144 Å²	144	47.5 Å²	47.5	77%	0.77	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	37.9	-173.5	-66.3	-43.7	0	0	0	113.3	A582	A582-N586 WeakPolarHBondContact O-CA 3.28Å; A582-N586 PolarHBondContact O-N 3.03Å
587	I	85.7	Confident	86.1	Confident	35 Å²	35	44.6 Å²	44.6	18%	0.179	22%	0.223	C	C	.	.			trans	-110	162.7	177.7	61	-179.2	0	0	0	110.1	Y581 A582 H585 Q591 A592	Y581-I587 HydrophobicContact CD1-CD1 3.83Å; Y581-I587 HydrophobicContact CE1-CD1 3.6Å; A582-I587 WeakPolarHBondContact CB-O 3.19Å; A582-I587 PolarHBondContact O-N 3.17Å; H585-I587 HydrophobicContact CB-CD1 3.95Å; H585-I587 HydrophobicContact CB-CG1 3.93Å; H585-I587 HydrophobicContact CB-CG2 4.17Å; H585-I587 PolarHBondContact O-N 3.05Å; I587-Q591 HydrophobicContact CB-CB 4.13Å; I587-Q591 HydrophobicContact CB-CG 4.21Å; I587-Q591 HydrophobicContact CD1-CB 4.33Å; I587-Q591 HydrophobicContact CD1-CG 4.12Å; I587-Q591 HydrophobicContact CG1-CB 4.48Å; I587-A592 HydrophobicContact CD1-CB 3.88Å; I587-A592 HydrophobicContact CG1-CB 4.09Å
588	S	85.5	Confident	85.3	Confident	57 Å²	57	46.4 Å²	46.4	40%	0.399	24%	0.236	S	C	.	.			trans	-66.6	155.1	174.8	91.6	0	0	0	0	110.5	E590 Q591 A592	S588-E590 WeakPolarHBondContact CB-OE2 3.21Å; S588-E590 PolarHBondContact O-N 3.14Å; S588-E590 PolarHBondContact OG-N 3.39Å; S588-E590 PolarHBondContact OG-OE2 3.16Å; S588-Q591 PolarHBondContact O-N 2.74Å; S588-Q591 PolarHBondContact OG-N 3.23Å; S588-A592 PolarHBondContact O-N 3.17Å
589	N	85.9	Confident	84.8	Confident	51 Å²	51	50.8 Å²	50.8	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-30.7	176.9	-66.4	-41.1	0	0	0	111.5	W539 V578 A582 A592 T593	W539-N589 HydrophobicContact CD2-CB 4.29Å; W539-N589 VanDerWaalsContact CE2-CB 3.47Å; W539-N589 HydrophobicContact CH2-CB 3.68Å; W539-N589 HydrophobicContact CZ2-CB 3.15Å; W539-N589 HydrophobicContact CZ3-CB 4.42Å; V578-N589 HydrophobicContact CG1-CB 3.85Å; V578-N589 VanDerWaalsContact CG1-O 3.29Å; V578-N589 WeakPolarHBondContact CG1-O 3.49Å; A582-N589 WeakPolarHBondContact CB-OD1 3.03Å; N589-A592 PolarHBondContact O-N 3.1Å; N589-T593 WeakPolarHBondContact O-CB 3.22Å; N589-T593 PolarHBondContact O-N 3.15Å; N589-T593 PolarHBondContact O-OG1 3.49Å
590	E	82.2	Confident	84	Confident	84 Å²	84	49 Å²	49	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-38.6	175.5	-57.2	68.3	-146	0	0	111.4	W539 S588 R594	W539-E590 PolarHBondContact NE1-OE1 3.16Å; S588-E590 WeakPolarHBondContact CB-OE2 3.21Å; S588-E590 PolarHBondContact O-N 3.14Å; S588-E590 PolarHBondContact OG-N 3.39Å; S588-E590 PolarHBondContact OG-OE2 3.16Å; E590-R594 WeakPolarHBondContact O-CG 3.27Å; E590-R594 PolarHBondContact O-N 3.23Å; E590-R594 VanDerWaalsContact O-N 3.1Å
591	Q	83.3	Confident	83	Confident	69 Å²	69	47.4 Å²	47.4	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-71.7	-43.6	174.6	-172.3	177.8	-22.2	0	0	111.5	I587 S588 T593 R594 E595	I587-Q591 HydrophobicContact CB-CB 4.13Å; I587-Q591 HydrophobicContact CB-CG 4.21Å; I587-Q591 HydrophobicContact CD1-CB 4.33Å; I587-Q591 HydrophobicContact CD1-CG 4.12Å; I587-Q591 HydrophobicContact CG1-CB 4.48Å; S588-Q591 PolarHBondContact O-N 2.74Å; S588-Q591 PolarHBondContact OG-N 3.23Å; Q591-T593 VanDerWaalsContact C-N 3.29Å; Q591-T593 PolarHBondContact O-N 3.12Å; Q591-R594 PolarHBondContact O-N 3.15Å; Q591-R594 VanDerWaalsContact O-N 3.12Å; Q591-E595 PolarHBondContact NE2-OE1 3.02Å; Q591-E595 PolarHBondContact O-N 3.49Å
592	A	87	Confident	81.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-41.9	173.9	0	0	0	0	0	112	V578 Y581 A582 I587 S588 N589 E595 L596	V578-A592 HydrophobicContact CG1-CB 3.99Å; Y581-A592 HydrophobicContact CD1-CB 3.65Å; Y581-A592 HydrophobicContact CE1-CB 4.47Å; A582-A592 HydrophobicContact CB-CB 3.71Å; I587-A592 HydrophobicContact CD1-CB 3.88Å; I587-A592 HydrophobicContact CG1-CB 4.09Å; S588-A592 PolarHBondContact O-N 3.17Å; N589-A592 PolarHBondContact O-N 3.1Å; A592-E595 PolarHBondContact O-N 2.68Å; A592-L596 VanDerWaalsContact O-CB 3.27Å; A592-L596 WeakPolarHBondContact O-CB 3.33Å; A592-L596 VanDerWaalsContact O-CG 3.27Å; A592-L596 WeakPolarHBondContact O-CG 2.85Å; A592-L596 PolarHBondContact O-N 2.89Å
593	T	85	Confident	79.7	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-42.6	175.6	-49.2	0	0	0	0	110.8	I535 W539 V578 N589 Q591 A597 F670	I535-T593 HydrophobicContact CG2-CG2 3.53Å; W539-T593 HydrophobicContact CB-CG2 4.2Å; V578-T593 VanDerWaalsContact CG1-OG1 3.29Å; V578-T593 WeakPolarHBondContact CG1-OG1 3.45Å; V578-T593 HydrophobicContact CG2-CG2 4.31Å; N589-T593 WeakPolarHBondContact O-CB 3.22Å; N589-T593 PolarHBondContact O-N 3.15Å; N589-T593 PolarHBondContact O-OG1 3.49Å; Q591-T593 VanDerWaalsContact C-N 3.29Å; Q591-T593 PolarHBondContact O-N 3.12Å; T593-A597 WeakPolarHBondContact O-CA 3.5Å; T593-A597 WeakPolarHBondContact O-CB 3.39Å; T593-A597 PolarHBondContact O-N 3.47Å; T593-F670 HydrophobicContact CG2-CE2 3.91Å; T593-F670 HydrophobicContact CG2-CZ 4.02Å
594	R	82.5	Confident	77.7	Confident	104 Å²	104	48.2 Å²	48.2	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-62.7	-43	176.3	-77.2	-176.3	-66.6	146.5	-1.1	112.7	I535 E590 Q591 S598	I535-R594 HydrophobicContact CG2-CG 4Å; E590-R594 WeakPolarHBondContact O-CG 3.27Å; E590-R594 PolarHBondContact O-N 3.23Å; E590-R594 VanDerWaalsContact O-N 3.1Å; Q591-R594 PolarHBondContact O-N 3.15Å; Q591-R594 VanDerWaalsContact O-N 3.12Å; R594-S598 WeakPolarHBondContact O-CB 3.42Å; R594-S598 PolarHBondContact O-N 2.87Å; R594-S598 PolarHBondContact O-OG 3.33Å
595	E	82.1	Confident	75.6	Confident	53 Å²	53	51.4 Å²	51.4	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-72	-42.8	179.7	-72.5	-179.1	-153.1	0	0	112.6	Y581 Q591 A592 S598 R599	Y581-E595 HydrophobicContact CE1-CB 3.86Å; Y581-E595 VanDerWaalsContact CE1-OE2 3.23Å; Y581-E595 WeakPolarHBondContact CE1-OE2 3.14Å; Y581-E595 PolarHBondContact OH-OE2 3.33Å; Q591-E595 PolarHBondContact NE2-OE1 3.02Å; Q591-E595 PolarHBondContact O-N 3.49Å; A592-E595 PolarHBondContact O-N 2.68Å; E595-S598 PolarHBondContact O-OG 2.67Å; E595-R599 WeakPolarHBondContact O-CB 3.3Å; E595-R599 WeakPolarHBondContact O-CG 3.49Å; E595-R599 PolarHBondContact O-N 2.98Å
596	L	86	Confident	73.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-39.5	174.3	-71.7	170.7	0	0	0	111.3	V578 Y581 A592 S600 A666 F670	V578-L596 HydrophobicContact CG2-CD1 4.12Å; Y581-L596 HydrophobicContact CD1-CD1 4.42Å; Y581-L596 HydrophobicContact CD1-CG 4.15Å; Y581-L596 HydrophobicContact CD2-CD2 3.7Å; Y581-L596 HydrophobicContact CD2-CG 4.15Å; Y581-L596 HydrophobicContact CE2-CD2 4.11Å; Y581-L596 HydrophobicContact CG-CD1 4.03Å; Y581-L596 HydrophobicContact CG-CD2 3.95Å; Y581-L596 HydrophobicContact CG-CG 3.91Å; A592-L596 VanDerWaalsContact O-CB 3.27Å; A592-L596 WeakPolarHBondContact O-CB 3.33Å; A592-L596 VanDerWaalsContact O-CG 3.27Å; A592-L596 WeakPolarHBondContact O-CG 2.85Å; A592-L596 PolarHBondContact O-N 2.89Å; L596-S600 VanDerWaalsContact O-CB 3.23Å; L596-S600 WeakPolarHBondContact O-CB 3.43Å; L596-S600 PolarHBondContact O-N 2.91Å; L596-S600 PolarHBondContact O-OG 3.39Å; L596-A666 HydrophobicContact CD2-CB 4.01Å; L596-F670 HydrophobicContact CB-CB 4.18Å; L596-F670 HydrophobicContact CB-CD1 3.97Å; L596-F670 HydrophobicContact CB-CD2 3.84Å; L596-F670 HydrophobicContact CB-CE1 4.33Å; L596-F670 HydrophobicContact CB-CE2 4.18Å; L596-F670 HydrophobicContact CB-CG 3.72Å; L596-F670 HydrophobicContact CB-CZ 4.41Å; L596-F670 HydrophobicContact CD1-CB 4.31Å; L596-F670 HydrophobicContact CD1-CD2 3.96Å; L596-F670 HydrophobicContact CD1-CG 4.3Å
597	A	81.7	Confident	70.6	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-45.6	176	0	0	0	0	0	111.7	F531 I535 T593 S600 A601 F670	F531-A597 HydrophobicContact CE2-CB 4.08Å; F531-A597 HydrophobicContact CZ-CB 3.66Å; I535-A597 HydrophobicContact CD1-CB 3.4Å; I535-A597 VanDerWaalsContact CD1-CB 3.4Å; I535-A597 HydrophobicContact CG1-CB 3.76Å; I535-A597 HydrophobicContact CG2-CB 4.18Å; T593-A597 WeakPolarHBondContact O-CA 3.5Å; T593-A597 WeakPolarHBondContact O-CB 3.39Å; T593-A597 PolarHBondContact O-N 3.47Å; A597-S600 WeakPolarHBondContact CA-OG 3.24Å; A597-S600 PolarHBondContact O-N 3.38Å; A597-S600 PolarHBondContact O-OG 2.88Å; A597-A601 WeakPolarHBondContact O-CB 3.4Å; A597-A601 PolarHBondContact O-N 3.21Å; A597-F670 VanDerWaalsContact CA-CE1 3.49Å; A597-F670 HydrophobicContact CB-CE1 3.87Å; A597-F670 HydrophobicContact CB-CZ 3.91Å
598	S	74.2	Confident	68.1	Low	37 Å²	37	61.6 Å²	61.6	26%	0.259	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-48	177.5	67.9	0	0	0	0	110	R594 E595 S600 A601 T602	R594-S598 WeakPolarHBondContact O-CB 3.42Å; R594-S598 PolarHBondContact O-N 2.87Å; R594-S598 PolarHBondContact O-OG 3.33Å; E595-S598 PolarHBondContact O-OG 2.67Å; S598-S600 VanDerWaalsContact C-N 3.34Å; S598-S600 PolarHBondContact O-N 3.24Å; S598-A601 CarbonylContact O-C 3.58Å; S598-A601 PolarHBondContact O-N 3.33Å; S598-A601 VanDerWaalsContact O-N 3.09Å; S598-T602 PolarHBondContact O-N 3.24Å; S598-T602 PolarHBondContact O-OG1 3.16Å
599	R	78.1	Confident	65.4	Low	92 Å²	92	62.8 Å²	62.8	35%	0.347	36%	0.363	S	S	.	.	H	α-helix	trans	-57.2	-42.7	174.2	-71.6	171.5	-172.9	-106.8	9.7	112.7	Y581 E595 A601 T602 A603	Y581-R599 PolarHBondContact OH-NE 3.42Å; Y581-R599 PolarHBondContact OH-NH2 3.4Å; Y581-R599 VanDerWaalsContact OH-NH2 3.08Å; E595-R599 WeakPolarHBondContact O-CB 3.3Å; E595-R599 WeakPolarHBondContact O-CG 3.49Å; E595-R599 PolarHBondContact O-N 2.98Å; R599-A601 VanDerWaalsContact C-N 3.26Å; R599-A601 PolarHBondContact O-N 3.38Å; R599-T602 PolarHBondContact O-N 2.93Å; R599-A603 WeakPolarHBondContact O-CB 3.32Å; R599-A603 PolarHBondContact O-N 3.32Å
600	S	73	Confident	62.9	Low	11 Å²	11	68.2 Å²	68.2	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-65.5	-30.4	178.5	77.1	0	0	0	0	112.7	L596 A597 S598	L596-S600 VanDerWaalsContact O-CB 3.23Å; L596-S600 WeakPolarHBondContact O-CB 3.43Å; L596-S600 PolarHBondContact O-N 2.91Å; L596-S600 PolarHBondContact O-OG 3.39Å; A597-S600 WeakPolarHBondContact CA-OG 3.24Å; A597-S600 PolarHBondContact O-N 3.38Å; A597-S600 PolarHBondContact O-OG 2.88Å; S598-S600 VanDerWaalsContact C-N 3.34Å; S598-S600 PolarHBondContact O-N 3.24Å
601	A	65.9	Low	60.5	Low	11 Å²	11	67.4 Å²	67.4	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-87.2	-30.2	177.9	0	0	0	0	0	112.8	A597 S598 R599 S604 Y711	A597-A601 WeakPolarHBondContact O-CB 3.4Å; A597-A601 PolarHBondContact O-N 3.21Å; S598-A601 CarbonylContact O-C 3.58Å; S598-A601 PolarHBondContact O-N 3.33Å; S598-A601 VanDerWaalsContact O-N 3.09Å; R599-A601 VanDerWaalsContact C-N 3.26Å; R599-A601 PolarHBondContact O-N 3.38Å; A601-S604 PolarHBondContact O-OG 3.25Å; A601-Y711 HydrophobicContact CB-CD1 3.29Å; A601-Y711 HydrophobicContact CB-CD2 4.26Å; A601-Y711 HydrophobicContact CB-CE1 3.47Å; A601-Y711 VanDerWaalsContact CB-CE1 3.47Å; A601-Y711 HydrophobicContact CB-CE2 4.43Å; A601-Y711 HydrophobicContact CB-CG 3.7Å
602	T	58.3	Low	57.9	Low	77 Å²	77	73.2 Å²	73.2	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-73	-37.9	173.6	-38.2	0	0	0	0	111.5	S598 R599 S604 A605 Y711	S598-T602 PolarHBondContact O-N 3.24Å; S598-T602 PolarHBondContact O-OG1 3.16Å; R599-T602 PolarHBondContact O-N 2.93Å; T602-S604 PolarHBondContact O-N 2.98Å; T602-A605 WeakPolarHBondContact O-CB 3.19Å; T602-A605 PolarHBondContact O-N 2.97Å; T602-Y711 PolarHBondContact OG1-OH 3.15Å
603	A	51.1	Low	55.2	Low	55 Å²	55	78 Å²	78	46%	0.455	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-68.6	-20.9	177.5	0	0	0	0	0	113.3	R599 A605	R599-A603 WeakPolarHBondContact O-CB 3.32Å; R599-A603 PolarHBondContact O-N 3.32Å; A603-A605 VanDerWaalsContact C-N 3.35Å
604	S	44.6	Very low	52.5	Low	47 Å²	47	81.3 Å²	81.3	33%	0.329	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-82.1	-11.9	175.2	57.5	0	0	0	0	113.6	A601 T602 G606	A601-S604 PolarHBondContact O-OG 3.25Å; T602-S604 PolarHBondContact O-N 2.98Å; S604-G606 VanDerWaalsContact C-N 3.32Å
605	A	43.5	Very low	49.8	Very low	81 Å²	81	84.5 Å²	84.5	67%	0.669	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-79.8	-10.2	174.5	0	0	0	0	0	113.8	T602 A603	T602-A605 WeakPolarHBondContact O-CB 3.19Å; T602-A605 PolarHBondContact O-N 2.97Å; A603-A605 VanDerWaalsContact C-N 3.35Å
606	G	38.8	Very low	47.1	Very low	67 Å²	67	90 Å²	90	69%	0.691	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-107.8	14	-171	0	0	0	0	0	116.8	S604	S604-G606 VanDerWaalsContact C-N 3.32Å
607	L	28.9	Very low	44.3	Very low	152 Å²	152	94 Å²	94	80%	0.796	59%	0.589	S	S	*	*			trans	-141.4	44	-168	-118.5	128.4	0	0	0	115
608	Y	32.7	Very low	41.7	Very low	241 Å²	241	103.2 Å²	103.2	95%	0.945	63%	0.629	S	S	*	*			trans	-124	93.6	162.8	-102.4	-92.7	0	0	0	108.9
609	G	29.3	Very low	39.7	Very low	82 Å²	82	106.4 Å²	106.4	85%	0.845	65%	0.649	S	S	*	*			trans	163.8	77.3	175.4	0	0	0	0	0	113.7
610	D	33.5	Very low	37.1	Very low	165 Å²	165	106.5 Å²	106.5	88%	0.882	66%	0.663	S	S	*	*			trans	-83.2	138.5	171.5	-144.5	-28.5	0	0	0	110.5
611	A	30.2	Very low	34.9	Very low	67 Å²	67	112.6 Å²	112.6	55%	0.554	69%	0.694	S	S	*	*			trans	60.4	97.8	154.9	0	0	0	0	0	122.3
612	H	29.8	Very low	33.2	Very low	191 Å²	191	122.1 Å²	122.1	88%	0.884	73%	0.734	S	S	*	*				140.7	127.8	106.4	-80.4	-7.4	0	0	0	116.5
613	A	29.5	Very low	31.6	Very low	102 Å²	102	120.8 Å²	120.8	84%	0.843	74%	0.735	S	S	*	*			trans	77.2	92.1	154	0	0	0	0	0	119.2
614	G	28.1	Very low	30.4	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	75%	0.75	S	S	*	*				79.3	89.7	116.8	0	0	0	0	0	117.3
615	L	26.5	Very low	29.4	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	77%	0.772	S	S	*	*				-175.5	118.4	117	-97.4	151.8	0	0	0	109.2	A617	L615-A617 PolarHBondContact O-N 2.82Å
616	D	25.1	Very low	28.5	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	77%	0.773	S	S	*	*			trans	-26.4	107.9	163.4	-91.7	-86.8	0	0	0	114.6
617	A	27	Very low	27.8	Very low	84 Å²	84	135.3 Å²	135.3	69%	0.694	77%	0.768	S	S	*	*			trans	-155.9	83.6	145.2	0	0	0	0	0	108.9	L615 P619	L615-A617 PolarHBondContact O-N 2.82Å; A617-P619 VanDerWaalsContact C-CD 3.45Å; A617-P619 WeakPolarHBondContact O-CD 3.49Å
618	K	27.3	Very low	27.8	Very low	195 Å²	195	134.7 Å²	134.7	85%	0.848	77%	0.77	S	S	*	*			trans	-66	116.2	136.8	-96.6	-179.7	169.8	179.8	0	106.6
619	P	32.1	Very low	27.4	Very low	105 Å²	105	126.7 Å²	126.7	68%	0.682	76%	0.761	S	S	*	*			trans	-109.1	108	136	32.7	-24.3	0	0	0	104.5	A617	A617-P619 VanDerWaalsContact C-CD 3.45Å; A617-P619 WeakPolarHBondContact O-CD 3.49Å
620	S	23.7	Very low	27.3	Very low	93 Å²	93	127.7 Å²	127.7	65%	0.65	76%	0.761	S	S	*	*				40.3	145.8	73.1	86.4	0	0	0	0	113.1
621	L	28	Very low	27	Very low	139 Å²	139	129.8 Å²	129.8	73%	0.728	76%	0.762	S	S	*	*			trans	88.3	74.2	161.1	-107.4	70.4	0	0	0	117.2	G623	L621-G623 VanDerWaalsContact C-N 3.32Å; L621-G623 PolarHBondContact O-N 2.89Å; L621-G623 VanDerWaalsContact O-N 3.11Å
622	F	29.4	Very low	26.9	Very low	212 Å²	212	133.6 Å²	133.6	93%	0.93	78%	0.778	S	S	*	*				-34.7	106.2	108.8	-105.4	-90.7	0	0	0	109.7
623	G	23.8	Very low	26.7	Very low	48 Å²	48	128.3 Å²	128.3	50%	0.495	78%	0.775	S	S	.	*			trans	150.7	66.2	172.2	0	0	0	0	0	116	L621	L621-G623 VanDerWaalsContact C-N 3.32Å; L621-G623 PolarHBondContact O-N 2.89Å; L621-G623 VanDerWaalsContact O-N 3.11Å
624	V	25.9	Very low	26.5	Very low	127 Å²	127	127.2 Å²	127.2	77%	0.77	77%	0.774	S	S	*	*			trans	-148	98.9	130.2	-171.4	0	0	0	0	108.5	V626	V624-V626 HydrophobicContact CG1-CG2 3.46Å; V624-V626 VanDerWaalsContact CG1-CG2 3.46Å; V624-V626 PolarHBondContact O-N 3.23Å
625	R	23.7	Very low	26.4	Very low	206 Å²	206	136 Å²	136	78%	0.777	79%	0.786	S	S	*	*			trans	-70	110.1	152.1	179.4	-178.5	-173	169	2	106.8	D627	R625-D627 VanDerWaalsContact CD-OD2 3.31Å; R625-D627 WeakPolarHBondContact CD-OD2 3.42Å; R625-D627 IonicContact CZ-OD1 3.04Å; R625-D627 IonicContact CZ-OD2 2.78Å; R625-D627 VanDerWaalsContact NE-CG 3.25Å; R625-D627 IonicContact NE-OD1 3.32Å; R625-D627 PolarHBondContact NE-OD1 2.89Å; R625-D627 IonicContact NE-OD2 3.51Å; R625-D627 PolarHBondContact NE-OD2 3.31Å; R625-D627 IonicContact NH2-OD1 2.83Å; R625-D627 PolarHBondContact NH2-OD1 3.28Å; R625-D627 IonicContact NH2-OD2 2.76Å
626	V	24.9	Very low	26.3	Very low	116 Å²	116	132.6 Å²	132.6	70%	0.703	78%	0.782	S	S	*	*			trans	-96	96.1	160	-178.3	0	0	0	0	107.2	V624 V628	V624-V626 HydrophobicContact CG1-CG2 3.46Å; V624-V626 VanDerWaalsContact CG1-CG2 3.46Å; V624-V626 PolarHBondContact O-N 3.23Å; V626-V628 HydrophobicContact CG1-CG2 4.34Å
627	D	23.5	Very low	26.3	Very low	107 Å²	107	130.2 Å²	130.2	57%	0.572	78%	0.778	S	S	*	*			trans	-68.9	124	163.7	-76.1	-58.5	0	0	0	109.5	R625	R625-D627 VanDerWaalsContact CD-OD2 3.31Å; R625-D627 WeakPolarHBondContact CD-OD2 3.42Å; R625-D627 IonicContact CZ-OD1 3.04Å; R625-D627 IonicContact CZ-OD2 2.78Å; R625-D627 VanDerWaalsContact NE-CG 3.25Å; R625-D627 IonicContact NE-OD1 3.32Å; R625-D627 PolarHBondContact NE-OD1 2.89Å; R625-D627 IonicContact NE-OD2 3.51Å; R625-D627 PolarHBondContact NE-OD2 3.31Å; R625-D627 IonicContact NH2-OD1 2.83Å; R625-D627 PolarHBondContact NH2-OD1 3.28Å; R625-D627 IonicContact NH2-OD2 2.76Å
628	V	29.4	Very low	26.2	Very low	139 Å²	139	134.1 Å²	134.1	84%	0.842	79%	0.786	S	S	*	*			trans	-127.6	112.4	150.9	-172.8	0	0	0	0	103.8	V626	V626-V628 HydrophobicContact CG1-CG2 4.34Å
629	G	25.4	Very low	26.3	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	79%	0.786	S	S	*	*			cis	136.4	65.8	16.3	0	0	0	0	0	109.4
630	A	27.3	Very low	25.9	Very low	103 Å²	103	131 Å²	131	85%	0.851	79%	0.791	S	S	*	*			trans	-153	121.4	158.2	0	0	0	0	0	111.4	V632	A630-V632 PolarHBondContact O-N 2.87Å
631	K	26.3	Very low	26.1	Very low	208 Å²	208	131.6 Å²	131.6	90%	0.904	80%	0.795	S	S	*	*			trans	-45.6	124	177.4	-67.6	165.8	172.7	173.2	0	113.8
632	V	27.5	Very low	26.1	Very low	148 Å²	148	132.4 Å²	132.4	90%	0.897	80%	0.8	S	S	*	*			trans	-172.7	124.8	133.6	178.4	0	0	0	0	104.1	A630	A630-V632 PolarHBondContact O-N 2.87Å
633	G	25.3	Very low	26.2	Very low	79 Å²	79	129.5 Å²	129.5	81%	0.814	79%	0.793	S	S	*	*			cis	126.8	84	30	0	0	0	0	0	108
634	G	26.2	Very low	26.6	Very low	80 Å²	80	134 Å²	134	83%	0.825	81%	0.806	S	S	*	*			trans	166	116.6	175.7	0	0	0	0	0	113.4
635	R	26	Very low	26.8	Very low	255 Å²	255	132.9 Å²	132.9	96%	0.962	80%	0.804	S	S	*	*			trans	-93.7	122.6	-174	-54.4	171.8	179.2	176.5	-2.1	109.6
636	A	25.6	Very low	27.3	Very low	100 Å²	100	131.4 Å²	131.4	83%	0.826	81%	0.806	S	S	*	*			trans	-162	106.8	152.4	0	0	0	0	0	109.4
637	S	23.5	Very low	27.5	Very low	117 Å²	117	134.8 Å²	134.8	82%	0.818	81%	0.814	S	S	*	*			trans	-76.9	129.8	172.1	48	0	0	0	0	110.5
638	I	26.5	Very low	27.7	Very low	167 Å²	167	134.2 Å²	134.2	86%	0.856	82%	0.824	S	S	*	*			trans	-142	131.1	150.3	-62.9	-171.9	0	0	0	109.1
639	D	27.5	Very low	27.8	Very low	157 Å²	157	132.8 Å²	132.8	84%	0.84	82%	0.82	S	S	*	*			trans	-45.1	144.9	-176.2	-73.5	-67.1	0	0	0	116.9
640	G	24.8	Very low	28.2	Very low	77 Å²	77	134.2 Å²	134.2	79%	0.794	82%	0.819	S	S	*	*			trans	-85.3	143.3	160.2	0	0	0	0	0	110.6
641	S	27.3	Very low	28.5	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	82%	0.82	S	S	*	*			trans	-132.6	104.2	168.5	59.6	0	0	0	0	110
642	D	28	Very low	29.1	Very low	157 Å²	157	127.8 Å²	127.8	84%	0.84	81%	0.807	S	S	*	*			trans	29.4	113.3	138.9	-60	-26.3	0	0	0	119.9
643	L	31	Very low	29.6	Very low	150 Å²	150	130.7 Å²	130.7	79%	0.785	80%	0.802	S	S	*	*			trans	-143	83.2	146.6	-89.6	114.5	0	0	0	108.6
644	D	32.9	Very low	30.5	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	80%	0.796	S	S	*	*			trans	-140.8	137.5	155.7	-99	-30	0	0	0	110.4	H646	D644-H646 PolarHBondContact O-N 3.1Å
645	S	29.9	Very low	31.8	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	79%	0.787	S	S	*	*			trans	-45.1	120.8	178	51.9	0	0	0	0	114.5
646	H	33.7	Very low	32.9	Very low	176 Å²	176	126 Å²	126	82%	0.815	77%	0.772	S	S	*	*			trans	-144.7	127.9	155.6	-88.2	-64.1	0	0	0	112.6	D644	D644-H646 PolarHBondContact O-N 3.1Å
647	E	30.3	Very low	34.3	Very low	186 Å²	186	125.9 Å²	125.9	87%	0.869	76%	0.758	S	S	*	*			trans	-58.1	150.8	170	-71.8	161.8	121.6	0	0	112.5
648	A	28.2	Very low	35.8	Very low	96 Å²	96	122.5 Å²	122.5	79%	0.793	74%	0.737	S	S	*	*			trans	79.7	130.5	155.8	0	0	0	0	0	119.2
649	S	30.7	Very low	37.4	Very low	108 Å²	108	120.9 Å²	120.9	76%	0.755	72%	0.72	S	S	*	*			trans	87.8	106.4	135	173.8	0	0	0	0	118.3
650	S	33.7	Very low	39.1	Very low	104 Å²	104	119.7 Å²	119.7	73%	0.727	71%	0.71	S	S	*	*				114.7	91.1	129.7	74.6	0	0	0	0	117	S652	S650-S652 PolarHBondContact O-N 3.3Å
651	G	33.6	Very low	41.2	Very low	86 Å²	86	121.3 Å²	121.3	89%	0.887	70%	0.7	S	S	*	*				40.8	69.3	127.4	0	0	0	0	0	117.1
652	S	38.7	Very low	43.5	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	68%	0.68	S	S	*	*			trans	-168.3	122	148.7	43	0	0	0	0	112.4	S650	S650-S652 PolarHBondContact O-N 3.3Å
653	R	38.1	Very low	46	Very low	209 Å²	209	113 Å²	113	79%	0.789	65%	0.647	S	S	*	*			trans	91.8	72.4	155.9	-58.4	163.4	168.2	152.5	-2.5	116.4	S655 H656	R653-S655 PolarHBondContact O-N 3.31Å; R653-H656 PolarHBondContact O-N 3.48Å; R653-H656 VanDerWaalsContact O-N 3.14Å
654	A	45.2	Very low	48.2	Very low	83 Å²	83	108.5 Å²	108.5	69%	0.686	63%	0.631	S	S	*	*	H	α-helix	trans	-38.2	-8.4	172.8	0	0	0	0	0	119.9
655	S	52.3	Low	50.7	Low	92 Å²	92	108.1 Å²	108.1	64%	0.643	62%	0.622	S	S	*	*	H	α-helix	trans	-87.8	-26.1	175.3	63.4	0	0	0	0	113.4	R653	R653-S655 PolarHBondContact O-N 3.31Å
656	H	50.4	Low	53.4	Low	139 Å²	139	103.2 Å²	103.2	64%	0.644	59%	0.588	S	S	*	*	H	α-helix	trans	-83.3	-37.7	175.6	-123.6	-71.9	0	0	0	111.3	R653 A658 R659 H660	R653-H656 PolarHBondContact O-N 3.48Å; R653-H656 VanDerWaalsContact O-N 3.14Å; H656-A658 VanDerWaalsContact C-N 3.32Å; H656-A658 PolarHBondContact O-N 3.5Å; H656-R659 PolarHBondContact O-N 3.05Å; H656-H660 PolarHBondContact O-N 3.28Å; H656-H660 VanDerWaalsContact O-N 3.08Å
657	D	53.4	Low	55.8	Low	98 Å²	98	96 Å²	96	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-58.7	-41.8	172.3	-73.8	-27.4	0	0	0	111.8	R659 H660 D661	D657-R659 VanDerWaalsContact C-N 3.28Å; D657-R659 PolarHBondContact O-N 2.88Å; D657-H660 PolarHBondContact O-N 3.38Å; D657-D661 WeakPolarHBondContact O-CB 3.25Å; D657-D661 PolarHBondContact O-N 3.46Å
658	A	55.3	Low	58.5	Low	47 Å²	47	94.1 Å²	94.1	39%	0.388	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-36.5	178.1	0	0	0	0	0	112.7	H656 I662	H656-A658 VanDerWaalsContact C-N 3.32Å; H656-A658 PolarHBondContact O-N 3.5Å; A658-I662 WeakPolarHBondContact O-CB 3.47Å; A658-I662 WeakPolarHBondContact O-CD1 3.42Å; A658-I662 WeakPolarHBondContact O-CG1 3.23Å; A658-I662 PolarHBondContact O-N 2.79Å; A658-I662 VanDerWaalsContact O-N 3.12Å
659	R	60.4	Low	61.3	Low	133 Å²	133	91.2 Å²	91.2	50%	0.502	52%	0.518	S	S	.	.	H	α-helix	trans	-75.5	-39	177.8	-72.4	-177.7	176	179.7	-3.1	112	H656 D657 I662 D663	H656-R659 PolarHBondContact O-N 3.05Å; D657-R659 VanDerWaalsContact C-N 3.28Å; D657-R659 PolarHBondContact O-N 2.88Å; R659-I662 PolarHBondContact O-N 3.34Å; R659-D663 VanDerWaalsContact O-CG 3.31Å; R659-D663 PolarHBondContact O-N 3.17Å
660	H	63.2	Low	64.1	Low	132 Å²	132	86.1 Å²	86.1	61%	0.611	48%	0.482	S	S	*	.	H	α-helix	trans	-66.1	-40.5	176.4	-170	-85.5	0	0	0	112	H656 D657 I662 D663 A664	H656-H660 PolarHBondContact O-N 3.28Å; H656-H660 VanDerWaalsContact O-N 3.08Å; D657-H660 PolarHBondContact O-N 3.38Å; H660-I662 VanDerWaalsContact C-N 3.35Å; H660-D663 PolarHBondContact O-N 2.86Å; H660-A664 WeakPolarHBondContact O-CB 3.46Å; H660-A664 PolarHBondContact O-N 3.28Å
661	D	70.1	Confident	66.5	Low	110 Å²	110	83.8 Å²	83.8	59%	0.588	46%	0.459	S	S	*	.	H	α-helix	trans	-64.8	-38.1	173.4	-78.5	-12.2	0	0	0	111.9	D657 K665	D657-D661 WeakPolarHBondContact O-CB 3.25Å; D657-D661 PolarHBondContact O-N 3.46Å; D661-K665 WeakPolarHBondContact O-CB 3.5Å; D661-K665 PolarHBondContact O-N 3.07Å
662	I	74.1	Confident	69	Low	61 Å²	61	83.2 Å²	83.2	31%	0.313	43%	0.433	S	S	.	.	H	α-helix	trans	-65.2	-43.7	174.1	-69.8	161.9	0	0	0	110.7	A584 A658 R659 H660 K665 A666	A584-I662 HydrophobicContact CB-CB 4.47Å; A584-I662 HydrophobicContact CB-CD1 4.35Å; A584-I662 HydrophobicContact CB-CG2 3.78Å; A658-I662 WeakPolarHBondContact O-CB 3.47Å; A658-I662 WeakPolarHBondContact O-CD1 3.42Å; A658-I662 WeakPolarHBondContact O-CG1 3.23Å; A658-I662 PolarHBondContact O-N 2.79Å; A658-I662 VanDerWaalsContact O-N 3.12Å; R659-I662 PolarHBondContact O-N 3.34Å; H660-I662 VanDerWaalsContact C-N 3.35Å; I662-K665 PolarHBondContact O-N 3.22Å; I662-A666 WeakPolarHBondContact O-CB 3.27Å; I662-A666 PolarHBondContact O-N 3.44Å
663	D	80.9	Confident	71.2	Confident	28 Å²	28	79 Å²	79	15%	0.15	40%	0.403	C	S	.	.	H	α-helix	trans	-65.8	-45.4	-179.1	-74.1	1.3	0	0	0	112.1	Y581 H585 R659 H660 S667	Y581-D663 HydrophobicContact CE2-CB 4.5Å; H585-D663 IonicContact CD2-OD1 3.27Å; H585-D663 IonicContact CE1-OD1 2.84Å; H585-D663 IonicContact CE1-OD2 3.79Å; H585-D663 PolarHBondContact CE1-OD2 2.99Å; H585-D663 IonicContact NE2-OD1 3.78Å; H585-D663 PolarHBondContact NE2-OD1 2.92Å; H585-D663 IonicContact NE2-OD2 2.85Å; H585-D663 PolarHBondContact NE2-OD2 2.94Å; H585-D663 VanDerWaalsContact NE2-OD2 3.08Å; R659-D663 VanDerWaalsContact O-CG 3.31Å; R659-D663 PolarHBondContact O-N 3.17Å; H660-D663 PolarHBondContact O-N 2.86Å; D663-S667 WeakPolarHBondContact O-CB 3.44Å; D663-S667 PolarHBondContact O-N 3.36Å; D663-S667 PolarHBondContact O-OG 3.12Å
664	A	78	Confident	73.5	Confident	54 Å²	54	69.6 Å²	69.6	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-64.7	-44	177.2	0	0	0	0	0	111.2	H660 K668	H660-A664 WeakPolarHBondContact O-CB 3.46Å; H660-A664 PolarHBondContact O-N 3.28Å; A664-K668 VanDerWaalsContact O-CB 3.25Å; A664-K668 WeakPolarHBondContact O-CB 3.46Å; A664-K668 PolarHBondContact O-N 2.88Å
665	K	85	Confident	75.2	Confident	136 Å²	136	68.9 Å²	68.9	59%	0.591	35%	0.354	S	S	*	.	H	α-helix	trans	-67.1	-48	177.6	-177.2	174	-179.7	174	0	112.1	D661 I662 S667 K668 D669	D661-K665 WeakPolarHBondContact O-CB 3.5Å; D661-K665 PolarHBondContact O-N 3.07Å; I662-K665 PolarHBondContact O-N 3.22Å; K665-S667 PolarHBondContact O-N 3.01Å; K665-K668 PolarHBondContact O-N 3.28Å; K665-D669 WeakPolarHBondContact O-CB 3.42Å; K665-D669 VanDerWaalsContact O-CG 3.31Å; K665-D669 PolarHBondContact O-N 3.29Å
666	A	86.8	Confident	76.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.9	179	0	0	0	0	0	111.2	A577 Y581 L596 I662 K668 D669 F670	A577-A666 HydrophobicContact CB-CB 4.24Å; A577-A666 WeakPolarHBondContact CB-O 3.35Å; Y581-A666 HydrophobicContact CD2-CB 4.29Å; L596-A666 HydrophobicContact CD2-CB 4.01Å; I662-A666 WeakPolarHBondContact O-CB 3.27Å; I662-A666 PolarHBondContact O-N 3.44Å; A666-K668 VanDerWaalsContact C-N 3.33Å; A666-K668 PolarHBondContact O-N 2.96Å; A666-D669 PolarHBondContact O-N 3.43Å; A666-F670 WeakPolarHBondContact O-CB 3.16Å; A666-F670 PolarHBondContact O-N 3.31Å
667	S	84.1	Confident	78.2	Confident	25 Å²	25	59.6 Å²	59.6	18%	0.175	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-41.6	175.6	-59.7	0	0	0	0	111.6	D663 K665 K671	D663-S667 WeakPolarHBondContact O-CB 3.44Å; D663-S667 PolarHBondContact O-N 3.36Å; D663-S667 PolarHBondContact O-OG 3.12Å; K665-S667 PolarHBondContact O-N 3.01Å; S667-K671 WeakPolarHBondContact O-CB 3.29Å; S667-K671 PolarHBondContact O-N 2.97Å
668	K	85.8	Confident	79.3	Confident	145 Å²	145	56.1 Å²	56.1	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-66.9	-48.7	177.2	-176.2	179.9	178.2	-179.7	0	112.5	A664 K665 A666 K671 E672	A664-K668 VanDerWaalsContact O-CB 3.25Å; A664-K668 WeakPolarHBondContact O-CB 3.46Å; A664-K668 PolarHBondContact O-N 2.88Å; K665-K668 PolarHBondContact O-N 3.28Å; A666-K668 VanDerWaalsContact C-N 3.33Å; A666-K668 PolarHBondContact O-N 2.96Å; K668-K671 PolarHBondContact O-N 3.49Å; K668-E672 WeakPolarHBondContact O-CB 3.31Å; K668-E672 PolarHBondContact O-N 2.83Å
669	D	87.6	Confident	80.2	Confident	36 Å²	36	58.1 Å²	58.1	19%	0.193	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-40.6	-179.2	-72.5	-10.9	0	0	0	110.9	A577 K665 A666 A673	A577-D669 HydrophobicContact CB-CB 3.98Å; K665-D669 WeakPolarHBondContact O-CB 3.42Å; K665-D669 VanDerWaalsContact O-CG 3.31Å; K665-D669 PolarHBondContact O-N 3.29Å; A666-D669 PolarHBondContact O-N 3.43Å; D669-A673 WeakPolarHBondContact O-CB 3.37Å; D669-A673 PolarHBondContact O-N 2.88Å; D669-A673 VanDerWaalsContact O-N 3.09Å
670	F	88.4	Confident	80.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-44.6	173.6	-172	-83.4	0	0	0	111.1	M574 A577 V578 T593 L596 A597 A666 S674	M574-F670 HydrophobicContact CE-CD1 4.32Å; M574-F670 HydrophobicContact CE-CD2 4Å; M574-F670 HydrophobicContact CE-CE1 3.71Å; M574-F670 HydrophobicContact CE-CE2 3.37Å; M574-F670 HydrophobicContact CE-CG 4.44Å; M574-F670 HydrophobicContact CE-CZ 3.21Å; M574-F670 HydrophobicContact CG-CD2 3.74Å; M574-F670 HydrophobicContact CG-CE2 3.84Å; M574-F670 HydrophobicContact CG-CG 4.44Å; M574-F670 HydrophobicContact SD-CE2 4.47Å; A577-F670 HydrophobicContact CB-CB 3.97Å; V578-F670 HydrophobicContact CG2-CD2 3.76Å; V578-F670 HydrophobicContact CG2-CE2 3.65Å; T593-F670 HydrophobicContact CG2-CE2 3.91Å; T593-F670 HydrophobicContact CG2-CZ 4.02Å; L596-F670 HydrophobicContact CB-CB 4.18Å; L596-F670 HydrophobicContact CB-CD1 3.97Å; L596-F670 HydrophobicContact CB-CD2 3.84Å; L596-F670 HydrophobicContact CB-CE1 4.33Å; L596-F670 HydrophobicContact CB-CE2 4.18Å; L596-F670 HydrophobicContact CB-CG 3.72Å; L596-F670 HydrophobicContact CB-CZ 4.41Å; L596-F670 HydrophobicContact CD1-CB 4.31Å; L596-F670 HydrophobicContact CD1-CD2 3.96Å; L596-F670 HydrophobicContact CD1-CG 4.3Å; A597-F670 VanDerWaalsContact CA-CE1 3.49Å; A597-F670 HydrophobicContact CB-CE1 3.87Å; A597-F670 HydrophobicContact CB-CZ 3.91Å; A666-F670 WeakPolarHBondContact O-CB 3.16Å; A666-F670 PolarHBondContact O-N 3.31Å; F670-S674 WeakPolarHBondContact O-CB 3.43Å; F670-S674 PolarHBondContact O-N 2.91Å
671	K	85.1	Confident	80.2	Confident	56 Å²	56	55.5 Å²	55.5	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-49.3	177	176	168.4	174.5	49.3	0	111.8	S667 K668 A673 S674 D675	S667-K671 WeakPolarHBondContact O-CB 3.29Å; S667-K671 PolarHBondContact O-N 2.97Å; K668-K671 PolarHBondContact O-N 3.49Å; K671-A673 VanDerWaalsContact C-N 3.32Å; K671-A673 PolarHBondContact O-N 2.87Å; K671-S674 PolarHBondContact O-N 3.47Å; K671-D675 WeakPolarHBondContact CE-OD2 3.32Å; K671-D675 WeakPolarHBondContact CG-OD2 3.2Å; K671-D675 IonicContact NZ-OD1 3.47Å; K671-D675 PolarHBondContact NZ-OD1 2.84Å; K671-D675 IonicContact NZ-OD2 3.55Å; K671-D675 PolarHBondContact NZ-OD2 3.34Å; K671-D675 VanDerWaalsContact O-CB 3.25Å; K671-D675 WeakPolarHBondContact O-CB 3.07Å; K671-D675 PolarHBondContact O-N 3.32Å
672	E	85.6	Confident	79.5	Confident	74 Å²	74	54.8 Å²	54.8	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-44.3	180	-173.5	-176.4	173.5	0	0	111.4	R573 K668 Y676	R573-E672 IonicContact CZ-OE1 2.86Å; R573-E672 IonicContact NH1-OE1 3.88Å; R573-E672 PolarHBondContact NH1-OE1 3.36Å; R573-E672 IonicContact NH1-OE2 3.01Å; R573-E672 PolarHBondContact NH1-OE2 3.39Å; K668-E672 WeakPolarHBondContact O-CB 3.31Å; K668-E672 PolarHBondContact O-N 2.83Å; E672-Y676 WeakPolarHBondContact O-CB 3.2Å; E672-Y676 PolarHBondContact O-N 3.22Å
673	A	86.2	Confident	78.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-40.7	177	0	0	0	0	0	112.8	M570 M574 D669 K671 Y676 F677	M570-A673 HydrophobicContact CB-CB 4.22Å; M570-A673 WeakPolarHBondContact O-CB 3.33Å; M574-A673 HydrophobicContact CB-CB 3.65Å; M574-A673 HydrophobicContact CG-CB 4.22Å; D669-A673 WeakPolarHBondContact O-CB 3.37Å; D669-A673 PolarHBondContact O-N 2.88Å; D669-A673 VanDerWaalsContact O-N 3.09Å; K671-A673 VanDerWaalsContact C-N 3.32Å; K671-A673 PolarHBondContact O-N 2.87Å; A673-Y676 WeakPolarHBondContact O-CB 3.34Å; A673-Y676 PolarHBondContact O-N 3.05Å; A673-F677 WeakPolarHBondContact O-CD2 3.41Å; A673-F677 PolarHBondContact O-N 3.49Å
674	S	84.7	Confident	76.9	Confident	12 Å²	12	61 Å²	61	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-46.2	175.5	-174.3	0	0	0	0	110.9	F670 K671 Y676 F677 T678	F670-S674 WeakPolarHBondContact O-CB 3.43Å; F670-S674 PolarHBondContact O-N 2.91Å; K671-S674 PolarHBondContact O-N 3.47Å; S674-Y676 VanDerWaalsContact C-N 3.29Å; S674-Y676 PolarHBondContact O-N 3.11Å; S674-F677 PolarHBondContact O-N 3.41Å; S674-T678 WeakPolarHBondContact O-CB 3.41Å; S674-T678 PolarHBondContact O-N 2.9Å; S674-T678 PolarHBondContact O-OG1 2.8Å
675	D	81.4	Confident	75.4	Confident	69 Å²	69	64.5 Å²	64.5	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-39	176.3	-71.9	-16.6	0	0	0	110.3	K671 S679	K671-D675 WeakPolarHBondContact CE-OD2 3.32Å; K671-D675 WeakPolarHBondContact CG-OD2 3.2Å; K671-D675 IonicContact NZ-OD1 3.47Å; K671-D675 PolarHBondContact NZ-OD1 2.84Å; K671-D675 IonicContact NZ-OD2 3.55Å; K671-D675 PolarHBondContact NZ-OD2 3.34Å; K671-D675 VanDerWaalsContact O-CB 3.25Å; K671-D675 WeakPolarHBondContact O-CB 3.07Å; K671-D675 PolarHBondContact O-N 3.32Å; D675-S679 WeakPolarHBondContact O-CB 3.12Å; D675-S679 PolarHBondContact O-N 3.35Å; D675-S679 PolarHBondContact O-OG 2.88Å
676	Y	84.1	Confident	73.7	Confident	36 Å²	36	61.5 Å²	61.5	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-52.9	172.7	174.4	-97.2	0	0	0	112.5	Q566 D567 M570 E672 A673 S674 T678 S679 R680	Q566-Y676 HydrophobicContact CG-CE2 3.76Å; D567-Y676 PolarHBondContact N-OH 3.44Å; D567-Y676 VanDerWaalsContact OD1-CE1 3.26Å; D567-Y676 WeakPolarHBondContact OD1-CE1 3.49Å; D567-Y676 PolarHBondContact OD1-OH 2.95Å; M570-Y676 HydrophobicContact CB-CD1 3.55Å; M570-Y676 HydrophobicContact CB-CE1 4.02Å; M570-Y676 HydrophobicContact CB-CG 4.07Å; M570-Y676 HydrophobicContact CG-CD1 3.57Å; M570-Y676 HydrophobicContact CG-CD2 4.13Å; M570-Y676 HydrophobicContact CG-CE1 4.01Å; M570-Y676 HydrophobicContact CG-CG 3.62Å; E672-Y676 WeakPolarHBondContact O-CB 3.2Å; E672-Y676 PolarHBondContact O-N 3.22Å; A673-Y676 WeakPolarHBondContact O-CB 3.34Å; A673-Y676 PolarHBondContact O-N 3.05Å; S674-Y676 VanDerWaalsContact C-N 3.29Å; S674-Y676 PolarHBondContact O-N 3.11Å; Y676-T678 VanDerWaalsContact C-N 3.32Å; Y676-T678 PolarHBondContact O-N 3.12Å; Y676-S679 PolarHBondContact O-N 3.16Å; Y676-S679 PolarHBondContact O-OG 3.33Å; Y676-S679 VanDerWaalsContact O-OG 3.12Å; Y676-R680 WeakPolarHBondContact O-CB 3.36Å; Y676-R680 PolarHBondContact O-N 2.94Å
677	F	82.1	Confident	72	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-69.8	-28.6	-179.3	-70.7	-60.8	0	0	0	113.5	M570 A571 M574 A673 S674 V697 L700 S701 L704	M570-F677 HydrophobicContact CB-CE2 3.9Å; M570-F677 HydrophobicContact CB-CZ 3.97Å; A571-F677 HydrophobicContact CB-CE2 4.23Å; A571-F677 HydrophobicContact CB-CZ 3.83Å; M574-F677 HydrophobicContact SD-CD2 4.33Å; A673-F677 WeakPolarHBondContact O-CD2 3.41Å; A673-F677 PolarHBondContact O-N 3.49Å; S674-F677 PolarHBondContact O-N 3.41Å; F677-V697 HydrophobicContact CD1-CG1 3.8Å; F677-V697 HydrophobicContact CE1-CG1 3.68Å; F677-L700 HydrophobicContact CD1-CD2 4.19Å; F677-L700 HydrophobicContact CD2-CD2 3.83Å; F677-L700 HydrophobicContact CD2-CG 4.45Å; F677-L700 HydrophobicContact CE1-CD2 4.12Å; F677-L700 HydrophobicContact CE2-CD2 3.75Å; F677-L700 HydrophobicContact CG-CD2 4.08Å; F677-L700 HydrophobicContact CG-CG 4.39Å; F677-L700 HydrophobicContact CZ-CD2 3.91Å; F677-S701 VanDerWaalsContact O-CB 3.3Å; F677-S701 WeakPolarHBondContact O-CB 3.47Å; F677-S701 PolarHBondContact O-OG 3.37Å; F677-L704 HydrophobicContact CB-CD1 3.6Å; F677-L704 HydrophobicContact CD2-CD1 4.16Å; F677-L704 HydrophobicContact CG-CD1 4.22Å
678	T	76.9	Confident	70.3	Confident	24 Å²	24	68.7 Å²	68.7	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-77.3	-38.1	176.4	-54	0	0	0	0	111.1	S674 Y676 R680 N705 K708	S674-T678 WeakPolarHBondContact O-CB 3.41Å; S674-T678 PolarHBondContact O-N 2.9Å; S674-T678 PolarHBondContact O-OG1 2.8Å; Y676-T678 VanDerWaalsContact C-N 3.32Å; Y676-T678 PolarHBondContact O-N 3.12Å; T678-R680 VanDerWaalsContact C-N 3.33Å; T678-N705 WeakPolarHBondContact CA-OD1 3.37Å; T678-N705 WeakPolarHBondContact CG2-OD1 3.4Å; T678-N705 PolarHBondContact O-OD1 2.97Å; T678-K708 HydrophobicContact CG2-CD 3.45Å; T678-K708 VanDerWaalsContact CG2-CD 3.45Å
679	S	74.2	Confident	68.5	Low	89 Å²	89	65.3 Å²	65.3	62%	0.622	38%	0.38	S	S	*	.	H	α-helix	trans	-77.2	-18.6	177.1	62.3	0	0	0	0	113.6	D675 Y676 K681	D675-S679 WeakPolarHBondContact O-CB 3.12Å; D675-S679 PolarHBondContact O-N 3.35Å; D675-S679 PolarHBondContact O-OG 2.88Å; Y676-S679 PolarHBondContact O-N 3.16Å; Y676-S679 PolarHBondContact O-OG 3.33Å; Y676-S679 VanDerWaalsContact O-OG 3.12Å; S679-K681 PolarHBondContact O-N 2.81Å
680	R	66.6	Low	66.5	Low	37 Å²	37	71.9 Å²	71.9	14%	0.14	42%	0.415	C	S	.	.	S	Bend	trans	-66.5	95.6	169.7	-169.7	172.3	175.7	-173	-9.5	109.2	D567 Y676 T678 V682 D694 S701	D567-R680 IonicContact OD1-CZ 3.79Å; D567-R680 IonicContact OD1-NH1 3.68Å; D567-R680 PolarHBondContact OD1-NH1 3.43Å; D567-R680 IonicContact OD2-CZ 2.78Å; D567-R680 IonicContact OD2-NH1 3.99Å; D567-R680 PolarHBondContact OD2-NH1 2.98Å; Y676-R680 WeakPolarHBondContact O-CB 3.36Å; Y676-R680 PolarHBondContact O-N 2.94Å; T678-R680 VanDerWaalsContact C-N 3.33Å; R680-V682 PolarHBondContact O-N 2.85Å; R680-D694 IonicContact CZ-OD1 2.6Å; R680-D694 IonicContact NH1-OD1 3.37Å; R680-D694 IonicContact NH2-OD1 3.08Å; R680-D694 PolarHBondContact NH2-OD1 2.83Å; R680-S701 PolarHBondContact O-OG 3.46Å
681	K	55.8	Low	65	Low	173 Å²	173	74.4 Å²	74.4	75%	0.752	43%	0.428	S	S	*	.			trans	-62.9	121.7	174.6	-98.5	-174.3	173.2	-175.6	0	109.6	S679 S683	S679-K681 PolarHBondContact O-N 2.81Å; K681-S683 PolarHBondContact O-N 3.36Å
682	V	55.8	Low	63.6	Low	95 Å²	95	76.5 Å²	76.5	58%	0.576	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	26.8	168.1	-171.8	0	0	0	0	111.7	R680	R680-V682 PolarHBondContact O-N 2.85Å
683	S	51.6	Low	62.3	Low	88 Å²	88	74.9 Å²	74.9	62%	0.615	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	2.1	-166.8	-176.6	0	0	0	0	113.9	K681 S685	K681-S683 PolarHBondContact O-N 3.36Å; S683-S685 VanDerWaalsContact C-N 3.35Å; S683-S685 PolarHBondContact O-N 2.94Å; S683-S685 VanDerWaalsContact O-N 3.15Å
684	E	49.3	Very low	61.2	Low	131 Å²	131	76.2 Å²	76.2	61%	0.612	45%	0.449	S	S	*	.			trans	-92.4	65.9	-175.6	-137.6	166.9	-163.4	0	0	111.5	G686 H688	E684-G686 PolarHBondContact O-N 3.3Å; E684-H688 PolarHBondContact O-CD2 3.37Å
685	S	45.8	Very low	60.3	Low	129 Å²	129	77.8 Å²	77.8	90%	0.902	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	21.2	-177.1	177.5	0	0	0	0	115.8	S683	S683-S685 VanDerWaalsContact C-N 3.35Å; S683-S685 PolarHBondContact O-N 2.94Å; S683-S685 VanDerWaalsContact O-N 3.15Å
686	G	49.5	Very low	59.8	Low	73 Å²	73	78.4 Å²	78.4	75%	0.753	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-23.4	-165.1	0	0	0	0	0	117.7	E684	E684-G686 PolarHBondContact O-N 3.3Å
687	S	51.5	Low	59.3	Low	89 Å²	89	76.8 Å²	76.8	62%	0.622	45%	0.45	S	S	*	.	S	Bend	trans	-154.6	15.3	-165.8	57.6	0	0	0	0	116.1	T689	S687-T689 PolarHBondContact O-N 3.33Å
688	H	48.7	Very low	58.9	Low	87 Å²	87	79.4 Å²	79.4	40%	0.403	46%	0.464	S	S	.	.			trans	-80.7	111.9	-178.9	-73.1	-84.3	0	0	0	111.1	E684 D690 D694	E684-H688 PolarHBondContact O-CD2 3.37Å; H688-D690 PolarHBondContact O-N 2.76Å; H688-D694 IonicContact CE1-OD2 3.48Å; H688-D694 PolarHBondContact CE1-OD2 3.01Å; H688-D694 IonicContact CG-OD2 3.58Å; H688-D694 IonicContact ND1-OD2 2.68Å; H688-D694 PolarHBondContact ND1-OD2 3.33Å
689	T	48.4	Very low	59	Low	74 Å²	74	82.3 Å²	82.3	45%	0.454	48%	0.476	S	S	.	.			trans	-73.4	112.9	161.9	54.4	0	0	0	0	107.8	S687 N691	S687-T689 PolarHBondContact O-N 3.33Å; T689-N691 PolarHBondContact O-N 3.43Å
690	D	45.5	Very low	59.5	Low	174 Å²	174	78.2 Å²	78.2	93%	0.93	45%	0.447	S	S	*	.			trans	-42.7	97.5	178.5	-78	-42	0	0	0	111.8	H688	H688-D690 PolarHBondContact O-N 2.76Å
691	N	55	Low	60.2	Low	53 Å²	53	76.5 Å²	76.5	28%	0.283	44%	0.441	S	S	.	.			trans	-119.6	136.2	176	-160.1	3.9	0	0	0	109.2	S552 T689 A693 D694 S695	S552-N691 VanDerWaalsContact CB-ND2 3.32Å; S552-N691 WeakPolarHBondContact CB-ND2 3.49Å; S552-N691 WeakPolarHBondContact CB-OD1 3.39Å; T689-N691 PolarHBondContact O-N 3.43Å; N691-A693 PolarHBondContact O-N 3.47Å; N691-A693 VanDerWaalsContact O-N 3.08Å; N691-D694 WeakPolarHBondContact O-CB 3.27Å; N691-D694 PolarHBondContact O-N 3.43Å; N691-S695 PolarHBondContact O-N 2.82Å
692	N	55.8	Low	61.4	Low	100 Å²	100	70.3 Å²	70.3	54%	0.535	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-30.1	-172.4	-149.1	-5.8	0	0	0	111.6	S695 R696	N692-S695 PolarHBondContact O-OG 3.46Å; N692-R696 VanDerWaalsContact O-CG 3.3Å; N692-R696 WeakPolarHBondContact O-CG 3.49Å; N692-R696 PolarHBondContact O-N 3.11Å
693	A	60.1	Low	62.8	Low	39 Å²	39	66.3 Å²	66.3	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-67.9	-40.5	174.3	0	0	0	0	0	112.9	N691 R696 V697	N691-A693 PolarHBondContact O-N 3.47Å; N691-A693 VanDerWaalsContact O-N 3.08Å; A693-R696 PolarHBondContact O-N 3.35Å; A693-V697 WeakPolarHBondContact O-CG2 3.45Å; A693-V697 PolarHBondContact O-N 3.4Å
694	D	61.8	Low	64.4	Low	29 Å²	29	62.3 Å²	62.3	16%	0.155	37%	0.371	C	S	.	.	H	α-helix	trans	-68	-43.3	-178.9	-149.7	31.1	0	0	0	110.4	R680 H688 N691 R696 V697 D698	R680-D694 IonicContact CZ-OD1 2.6Å; R680-D694 IonicContact NH1-OD1 3.37Å; R680-D694 IonicContact NH2-OD1 3.08Å; R680-D694 PolarHBondContact NH2-OD1 2.83Å; H688-D694 IonicContact CE1-OD2 3.48Å; H688-D694 PolarHBondContact CE1-OD2 3.01Å; H688-D694 IonicContact CG-OD2 3.58Å; H688-D694 IonicContact ND1-OD2 2.68Å; H688-D694 PolarHBondContact ND1-OD2 3.33Å; N691-D694 WeakPolarHBondContact O-CB 3.27Å; N691-D694 PolarHBondContact O-N 3.43Å; D694-R696 PolarHBondContact O-N 2.79Å; D694-R696 VanDerWaalsContact O-N 3.1Å; D694-V697 CarbonylContact O-C 3.59Å; D694-V697 PolarHBondContact O-N 2.79Å; D694-D698 PolarHBondContact O-N 3.24Å
695	S	65.7	Low	66	Low	45 Å²	45	58.5 Å²	58.5	32%	0.315	36%	0.355	S	S	.	.	H	α-helix	trans	-57.7	-29.8	173.4	79.2	0	0	0	0	113.7	N691 N692 Q699	N691-S695 PolarHBondContact O-N 2.82Å; N692-S695 PolarHBondContact O-OG 3.46Å; S695-Q699 WeakPolarHBondContact O-CB 3.36Å; S695-Q699 WeakPolarHBondContact O-CG 3.27Å; S695-Q699 PolarHBondContact O-N 3.42Å
696	R	71.1	Confident	67.8	Low	81 Å²	81	54.7 Å²	54.7	31%	0.306	33%	0.328	S	S	.	.	H	α-helix	trans	-82.6	-35	177.3	-67.1	-64.8	-171.6	175.3	10.6	111.8	T541 N692 A693 D694 D698 Q699 L700	T541-R696 HydrophobicContact CG2-CB 4.29Å; T541-R696 WeakPolarHBondContact CG2-O 3.43Å; N692-R696 VanDerWaalsContact O-CG 3.3Å; N692-R696 WeakPolarHBondContact O-CG 3.49Å; N692-R696 PolarHBondContact O-N 3.11Å; A693-R696 PolarHBondContact O-N 3.35Å; D694-R696 PolarHBondContact O-N 2.79Å; D694-R696 VanDerWaalsContact O-N 3.1Å; R696-D698 VanDerWaalsContact C-N 3.32Å; R696-Q699 PolarHBondContact O-N 3.27Å; R696-L700 WeakPolarHBondContact O-CB 3.48Å; R696-L700 PolarHBondContact O-N 3.4Å
697	V	74.6	Confident	69.4	Low	2 Å²	2	51.2 Å²	51.2	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-39.6	170.6	179.8	0	0	0	0	110.2	F545 D567 F677 A693 D694 L700 S701	F545-V697 HydrophobicContact CE2-CG2 3.71Å; D567-V697 HydrophobicContact CB-CG2 4.24Å; F677-V697 HydrophobicContact CD1-CG1 3.8Å; F677-V697 HydrophobicContact CE1-CG1 3.68Å; A693-V697 WeakPolarHBondContact O-CG2 3.45Å; A693-V697 PolarHBondContact O-N 3.4Å; D694-V697 CarbonylContact O-C 3.59Å; D694-V697 PolarHBondContact O-N 2.79Å; V697-L700 PolarHBondContact O-N 2.94Å; V697-S701 VanDerWaalsContact O-CB 3.24Å; V697-S701 WeakPolarHBondContact O-CB 3.37Å; V697-S701 PolarHBondContact O-N 3.28Å
698	D	74.1	Confident	70.9	Confident	55 Å²	55	50.9 Å²	50.9	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-42.2	172.9	-69.6	-27.3	0	0	0	111.5	D694 R696 S701 A702	D694-D698 PolarHBondContact O-N 3.24Å; R696-D698 VanDerWaalsContact C-N 3.32Å; D698-S701 PolarHBondContact O-N 3.43Å; D698-A702 WeakPolarHBondContact O-CB 3.31Å; D698-A702 PolarHBondContact O-N 2.91Å
699	Q	78.4	Confident	72.5	Confident	86 Å²	86	52.1 Å²	52.1	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-39.8	173.1	-77.5	169	22.3	0	0	112.6	T541 S695 R696 A703	T541-Q699 HydrophobicContact CG2-CB 4.1Å; S695-Q699 WeakPolarHBondContact O-CB 3.36Å; S695-Q699 WeakPolarHBondContact O-CG 3.27Å; S695-Q699 PolarHBondContact O-N 3.42Å; R696-Q699 PolarHBondContact O-N 3.27Å; Q699-A703 WeakPolarHBondContact O-CB 3.31Å; Q699-A703 PolarHBondContact O-N 3.04Å
700	L	83.4	Confident	74.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-47.3	177.2	178.1	61.3	0	0	0	110.7	A538 T541 L542 F677 R696 V697 A703 L704	A538-L700 HydrophobicContact CB-CD1 3.92Å; A538-L700 WeakPolarHBondContact O-CD1 3.48Å; T541-L700 HydrophobicContact CG2-CB 3.94Å; L542-L700 HydrophobicContact CB-CD1 4.29Å; L542-L700 HydrophobicContact CD1-CD2 3.99Å; F677-L700 HydrophobicContact CD1-CD2 4.19Å; F677-L700 HydrophobicContact CD2-CD2 3.83Å; F677-L700 HydrophobicContact CD2-CG 4.45Å; F677-L700 HydrophobicContact CE1-CD2 4.12Å; F677-L700 HydrophobicContact CE2-CD2 3.75Å; F677-L700 HydrophobicContact CG-CD2 4.08Å; F677-L700 HydrophobicContact CG-CG 4.39Å; F677-L700 HydrophobicContact CZ-CD2 3.91Å; R696-L700 WeakPolarHBondContact O-CB 3.48Å; R696-L700 PolarHBondContact O-N 3.4Å; V697-L700 PolarHBondContact O-N 2.94Å; L700-A703 PolarHBondContact O-N 3.43Å; L700-L704 HydrophobicContact CD1-CD1 3.87Å; L700-L704 HydrophobicContact CD1-CG 4.11Å; L700-L704 HydrophobicContact CG-CD1 3.9Å; L700-L704 HydrophobicContact CG-CG 4.49Å; L700-L704 WeakPolarHBondContact O-CB 3.4Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.13Å; L700-L704 PolarHBondContact O-N 3.19Å
701	S	83	Confident	75.9	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-47.2	175	178.9	0	0	0	0	110.5	F677 R680 V697 D698 A703 L704 N705	F677-S701 VanDerWaalsContact O-CB 3.3Å; F677-S701 WeakPolarHBondContact O-CB 3.47Å; F677-S701 PolarHBondContact O-OG 3.37Å; R680-S701 PolarHBondContact O-OG 3.46Å; V697-S701 VanDerWaalsContact O-CB 3.24Å; V697-S701 WeakPolarHBondContact O-CB 3.37Å; V697-S701 PolarHBondContact O-N 3.28Å; D698-S701 PolarHBondContact O-N 3.43Å; S701-A703 PolarHBondContact O-N 3.27Å; S701-L704 PolarHBondContact O-N 3.34Å; S701-N705 WeakPolarHBondContact O-CB 3.28Å; S701-N705 VanDerWaalsContact O-CG 3.25Å; S701-N705 PolarHBondContact O-N 3.37Å; S701-N705 PolarHBondContact O-ND2 2.88Å; S701-N705 PolarHBondContact OG-ND2 3.27Å; S701-N705 VanDerWaalsContact OG-ND2 3.17Å
702	A	80.9	Confident	77.1	Confident	44 Å²	44	42.5 Å²	42.5	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-41.9	176.6	0	0	0	0	0	112.2	D698 S706	D698-A702 WeakPolarHBondContact O-CB 3.31Å; D698-A702 PolarHBondContact O-N 2.91Å; A702-S706 VanDerWaalsContact O-CB 3.23Å; A702-S706 WeakPolarHBondContact O-CB 3.44Å; A702-S706 PolarHBondContact O-N 3.17Å; A702-S706 PolarHBondContact O-OG 2.7Å
703	A	85.2	Confident	78.3	Confident	10 Å²	10	40.9 Å²	40.9	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-40.4	177	0	0	0	0	0	112.2	S534 A538 Q699 L700 S701 A707	S534-A703 WeakPolarHBondContact CB-O 3.47Å; A538-A703 HydrophobicContact CB-CB 3.89Å; Q699-A703 WeakPolarHBondContact O-CB 3.31Å; Q699-A703 PolarHBondContact O-N 3.04Å; L700-A703 PolarHBondContact O-N 3.43Å; S701-A703 PolarHBondContact O-N 3.27Å; A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.36Å; A703-A707 PolarHBondContact O-N 3.03Å
704	L	84.6	Confident	79.3	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-39.9	176.3	-70.5	172.1	0	0	0	112.2	I535 A538 M574 F677 L700 S701 A707 K708	I535-L704 HydrophobicContact CD1-CD2 4.2Å; A538-L704 HydrophobicContact CB-CD2 3.83Å; A538-L704 HydrophobicContact CB-CG 4.1Å; M574-L704 HydrophobicContact CE-CD1 3.8Å; M574-L704 HydrophobicContact CE-CD2 3.55Å; M574-L704 HydrophobicContact CE-CG 4.32Å; M574-L704 HydrophobicContact SD-CD1 4.07Å; F677-L704 HydrophobicContact CB-CD1 3.6Å; F677-L704 HydrophobicContact CD2-CD1 4.16Å; F677-L704 HydrophobicContact CG-CD1 4.22Å; L700-L704 HydrophobicContact CD1-CD1 3.87Å; L700-L704 HydrophobicContact CD1-CG 4.11Å; L700-L704 HydrophobicContact CG-CD1 3.9Å; L700-L704 HydrophobicContact CG-CG 4.49Å; L700-L704 WeakPolarHBondContact O-CB 3.4Å; L700-L704 VanDerWaalsContact O-CG 3.28Å; L700-L704 WeakPolarHBondContact O-CG 3.13Å; L700-L704 PolarHBondContact O-N 3.19Å; S701-L704 PolarHBondContact O-N 3.34Å; L704-A707 PolarHBondContact O-N 2.93Å; L704-K708 WeakPolarHBondContact O-CB 3.11Å; L704-K708 PolarHBondContact O-N 3.42Å
705	N	83	Confident	80.1	Confident	51 Å²	51	42.7 Å²	42.7	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-44.5	172.1	-79.2	-42.7	0	0	0	111.1	T678 S701 A707 K708 Q709	T678-N705 WeakPolarHBondContact CA-OD1 3.37Å; T678-N705 WeakPolarHBondContact CG2-OD1 3.4Å; T678-N705 PolarHBondContact O-OD1 2.97Å; S701-N705 WeakPolarHBondContact O-CB 3.28Å; S701-N705 VanDerWaalsContact O-CG 3.25Å; S701-N705 PolarHBondContact O-N 3.37Å; S701-N705 PolarHBondContact O-ND2 2.88Å; S701-N705 PolarHBondContact OG-ND2 3.27Å; S701-N705 VanDerWaalsContact OG-ND2 3.17Å; N705-A707 VanDerWaalsContact C-N 3.34Å; N705-A707 PolarHBondContact O-N 3.39Å; N705-K708 PolarHBondContact O-N 3.32Å; N705-Q709 VanDerWaalsContact O-CB 3.31Å; N705-Q709 WeakPolarHBondContact O-CB 3.42Å; N705-Q709 PolarHBondContact O-N 3.24Å
706	S	83.7	Confident	80.6	Confident	49 Å²	49	43 Å²	43	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-39.8	175.7	-60.2	0	0	0	0	111.9	A702 S710	A702-S706 VanDerWaalsContact O-CB 3.23Å; A702-S706 WeakPolarHBondContact O-CB 3.44Å; A702-S706 PolarHBondContact O-N 3.17Å; A702-S706 PolarHBondContact O-OG 2.7Å; S706-S710 VanDerWaalsContact O-CB 3.3Å; S706-S710 WeakPolarHBondContact O-CB 3.5Å; S706-S710 PolarHBondContact O-N 3.08Å; S706-S710 PolarHBondContact O-OG 3.18Å
707	A	83.9	Confident	81	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-50.6	174.1	0	0	0	0	0	111.1	F531 I535 A703 L704 N705 Q709 S710 Y711	F531-A707 HydrophobicContact CD2-CB 3.99Å; F531-A707 WeakPolarHBondContact CD2-O 3.35Å; F531-A707 HydrophobicContact CE2-CB 4.33Å; I535-A707 HydrophobicContact CD1-CB 3.42Å; I535-A707 VanDerWaalsContact CD1-CB 3.42Å; I535-A707 HydrophobicContact CG1-CB 3.67Å; A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.36Å; A703-A707 PolarHBondContact O-N 3.03Å; L704-A707 PolarHBondContact O-N 2.93Å; N705-A707 VanDerWaalsContact C-N 3.34Å; N705-A707 PolarHBondContact O-N 3.39Å; A707-Q709 VanDerWaalsContact C-N 3.32Å; A707-Q709 PolarHBondContact O-N 3.49Å; A707-S710 PolarHBondContact O-N 3.49Å; A707-Y711 WeakPolarHBondContact O-CB 3.28Å; A707-Y711 PolarHBondContact O-N 3.02Å
708	K	82.2	Confident	81.1	Confident	81 Å²	81	43.7 Å²	43.7	35%	0.352	23%	0.23	S	C	.	.	H	α-helix	trans	-55.3	-48.8	176.8	175.8	171.9	170.8	39.9	0	111	T678 L704 N705 S710 Y711 D712	T678-K708 HydrophobicContact CG2-CD 3.45Å; T678-K708 VanDerWaalsContact CG2-CD 3.45Å; L704-K708 WeakPolarHBondContact O-CB 3.11Å; L704-K708 PolarHBondContact O-N 3.42Å; N705-K708 PolarHBondContact O-N 3.32Å; K708-S710 VanDerWaalsContact C-N 3.35Å; K708-S710 PolarHBondContact O-N 3.03Å; K708-Y711 PolarHBondContact O-N 3.48Å; K708-D712 WeakPolarHBondContact CG-OD2 3.34Å; K708-D712 IonicContact NZ-OD1 3.21Å; K708-D712 IonicContact NZ-OD2 2.94Å; K708-D712 PolarHBondContact NZ-OD2 3.38Å; K708-D712 WeakPolarHBondContact O-CB 3.27Å; K708-D712 PolarHBondContact O-N 2.9Å
709	Q	82.1	Confident	81.3	Confident	114 Å²	114	44.7 Å²	44.7	53%	0.533	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-43.1	177.7	-175.2	178.4	3.9	0	0	112.1	N705 A707 Y711 D712 Q713	N705-Q709 VanDerWaalsContact O-CB 3.31Å; N705-Q709 WeakPolarHBondContact O-CB 3.42Å; N705-Q709 PolarHBondContact O-N 3.24Å; A707-Q709 VanDerWaalsContact C-N 3.32Å; A707-Q709 PolarHBondContact O-N 3.49Å; Q709-Y711 VanDerWaalsContact C-N 3.34Å; Q709-D712 PolarHBondContact O-N 3.42Å; Q709-Q713 WeakPolarHBondContact O-CB 3.25Å; Q709-Q713 WeakPolarHBondContact O-CG 3.38Å; Q709-Q713 PolarHBondContact O-N 2.98Å
710	S	83.5	Confident	81.1	Confident	18 Å²	18	41.7 Å²	41.7	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-36.1	177.2	-58.5	0	0	0	0	112	A527 F531 S706 A707 K708 Y714	A527-S710 WeakPolarHBondContact CB-O 3.44Å; A527-S710 WeakPolarHBondContact O-CB 3.46Å; F531-S710 VanDerWaalsContact N-CB 3.26Å; S706-S710 VanDerWaalsContact O-CB 3.3Å; S706-S710 WeakPolarHBondContact O-CB 3.5Å; S706-S710 PolarHBondContact O-N 3.08Å; S706-S710 PolarHBondContact O-OG 3.18Å; A707-S710 PolarHBondContact O-N 3.49Å; K708-S710 VanDerWaalsContact C-N 3.35Å; K708-S710 PolarHBondContact O-N 3.03Å; S710-Y714 PolarHBondContact O-N 2.72Å
711	Y	81.8	Confident	80.9	Confident	23 Å²	23	42.5 Å²	42.5	9%	0.09	23%	0.232	C	C	.	.	H	α-helix	trans	-71.8	-43.8	175.3	-169.6	-92.5	0	0	0	112.2	F531 A601 T602 A707 K708 Q709 Q713 Y714 T715	F531-Y711 HydrophobicContact CD1-CD2 4.33Å; F531-Y711 HydrophobicContact CD2-CD2 4.11Å; F531-Y711 HydrophobicContact CD2-CG 4.33Å; F531-Y711 HydrophobicContact CE1-CD2 4.35Å; F531-Y711 HydrophobicContact CE2-CD2 4.11Å; F531-Y711 HydrophobicContact CE2-CG 4.4Å; F531-Y711 HydrophobicContact CG-CD2 4.2Å; F531-Y711 HydrophobicContact CZ-CD2 4.23Å; A601-Y711 HydrophobicContact CB-CD1 3.29Å; A601-Y711 HydrophobicContact CB-CD2 4.26Å; A601-Y711 HydrophobicContact CB-CE1 3.47Å; A601-Y711 VanDerWaalsContact CB-CE1 3.47Å; A601-Y711 HydrophobicContact CB-CE2 4.43Å; A601-Y711 HydrophobicContact CB-CG 3.7Å; T602-Y711 PolarHBondContact OG1-OH 3.15Å; A707-Y711 WeakPolarHBondContact O-CB 3.28Å; A707-Y711 PolarHBondContact O-N 3.02Å; K708-Y711 PolarHBondContact O-N 3.48Å; Q709-Y711 VanDerWaalsContact C-N 3.34Å; Y711-Q713 PolarHBondContact O-N 2.98Å; Y711-Y714 HydrophobicContact CD2-CD1 4.41Å; Y711-Y714 HydrophobicContact CE2-CD1 4.23Å; Y711-Y714 WeakPolarHBondContact O-CB 3.49Å; Y711-Y714 PolarHBondContact O-N 3.33Å; Y711-T715 HydrophobicContact CD1-CG2 3.82Å; Y711-T715 HydrophobicContact CE1-CG2 3.43Å; Y711-T715 VanDerWaalsContact CE1-CG2 3.43Å; Y711-T715 WeakPolarHBondContact O-CG2 3.25Å; Y711-T715 PolarHBondContact O-N 2.87Å; Y711-T715 PolarHBondContact O-OG1 3.3Å
712	D	79.4	Confident	80.6	Confident	58 Å²	58	48.7 Å²	48.7	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-36.1	174.8	-69.6	-19.2	0	0	0	110.3	K708 Q709 T715 T716	K708-D712 WeakPolarHBondContact CG-OD2 3.34Å; K708-D712 IonicContact NZ-OD1 3.21Å; K708-D712 IonicContact NZ-OD2 2.94Å; K708-D712 PolarHBondContact NZ-OD2 3.38Å; K708-D712 WeakPolarHBondContact O-CB 3.27Å; K708-D712 PolarHBondContact O-N 2.9Å; Q709-D712 PolarHBondContact O-N 3.42Å; D712-T715 PolarHBondContact O-OG1 3.39Å; D712-T716 VanDerWaalsContact O-CB 3.27Å; D712-T716 WeakPolarHBondContact O-CB 3.36Å; D712-T716 PolarHBondContact O-N 3.24Å; D712-T716 VanDerWaalsContact O-N 3.08Å; D712-T716 PolarHBondContact O-OG1 3.44Å
713	Q	81	Confident	80.3	Confident	66 Å²	66	51 Å²	51	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-41.1	171.2	-77.9	179.8	-1.4	0	0	113.1	A527 Q709 Y711 N717	A527-Q713 HydrophobicContact CB-CB 3.73Å; Q709-Q713 WeakPolarHBondContact O-CB 3.25Å; Q709-Q713 WeakPolarHBondContact O-CG 3.38Å; Q709-Q713 PolarHBondContact O-N 2.98Å; Y711-Q713 PolarHBondContact O-N 2.98Å; Q713-N717 VanDerWaalsContact O-CB 3.23Å; Q713-N717 WeakPolarHBondContact O-CB 3.27Å; Q713-N717 VanDerWaalsContact O-CG 3.29Å; Q713-N717 PolarHBondContact O-N 2.74Å; Q713-N717 PolarHBondContact O-ND2 2.76Å
714	Y	82.4	Confident	80	Confident	65 Å²	65	52.5 Å²	52.5	26%	0.255	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-50.7	176.3	162.6	-104.3	0	0	0	111.2	A524 L528 S710 Y711 N717 M718	A524-Y714 HydrophobicContact CB-CD2 3.88Å; A524-Y714 HydrophobicContact CB-CE2 4.34Å; A524-Y714 WeakPolarHBondContact O-CD2 3.11Å; L528-Y714 HydrophobicContact CB-CD2 3.8Å; L528-Y714 HydrophobicContact CB-CE2 4.25Å; L528-Y714 HydrophobicContact CB-CG 4.27Å; L528-Y714 HydrophobicContact CD1-CD1 4.25Å; L528-Y714 HydrophobicContact CD1-CD2 3.79Å; L528-Y714 HydrophobicContact CD1-CE1 4.04Å; L528-Y714 HydrophobicContact CD1-CE2 3.54Å; L528-Y714 HydrophobicContact CD1-CG 4.13Å; L528-Y714 HydrophobicContact CG-CD2 4.45Å; S710-Y714 PolarHBondContact O-N 2.72Å; Y711-Y714 HydrophobicContact CD2-CD1 4.41Å; Y711-Y714 HydrophobicContact CE2-CD1 4.23Å; Y711-Y714 WeakPolarHBondContact O-CB 3.49Å; Y711-Y714 PolarHBondContact O-N 3.33Å; Y714-N717 PolarHBondContact O-N 3.28Å; Y714-M718 HydrophobicContact CE2-CE 4.18Å; Y714-M718 VanDerWaalsContact O-CB 3.27Å; Y714-M718 WeakPolarHBondContact O-CB 3.27Å; Y714-M718 PolarHBondContact O-N 3.42Å
715	T	78	Confident	79.6	Confident	41 Å²	41	54.7 Å²	54.7	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-46	-179.1	57	0	0	0	0	111.2	Y711 D712 M718 T719	Y711-T715 HydrophobicContact CD1-CG2 3.82Å; Y711-T715 HydrophobicContact CE1-CG2 3.43Å; Y711-T715 VanDerWaalsContact CE1-CG2 3.43Å; Y711-T715 WeakPolarHBondContact O-CG2 3.25Å; Y711-T715 PolarHBondContact O-N 2.87Å; Y711-T715 PolarHBondContact O-OG1 3.3Å; D712-T715 PolarHBondContact O-OG1 3.39Å; T715-M718 PolarHBondContact O-N 2.8Å; T715-T719 PolarHBondContact O-N 3.12Å; T715-T719 PolarHBondContact O-OG1 3.3Å; T715-T719 VanDerWaalsContact O-OG1 3.05Å
716	T	76.6	Confident	79.3	Confident	50 Å²	50	56.1 Å²	56.1	31%	0.307	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-49.4	178.1	-56.5	0	0	0	0	111.7	D712 M718 T719 C720 M805	D712-T716 VanDerWaalsContact O-CB 3.27Å; D712-T716 WeakPolarHBondContact O-CB 3.36Å; D712-T716 PolarHBondContact O-N 3.24Å; D712-T716 VanDerWaalsContact O-N 3.08Å; D712-T716 PolarHBondContact O-OG1 3.44Å; T716-M718 VanDerWaalsContact C-N 3.31Å; T716-M718 PolarHBondContact O-N 3.4Å; T716-T719 PolarHBondContact O-N 2.9Å; T716-C720 PolarHBondContact O-N 3.05Å; T716-C720 PolarHBondContact O-SG 3.39Å; T716-M805 HydrophobicContact CG2-CE 3.67Å; T716-M805 HydrophobicContact CG2-SD 4.09Å
717	N	78.5	Confident	79	Confident	28 Å²	28	58 Å²	58	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-32.8	-179.6	-76.1	-51	0	0	0	112.5	A520 R523 A524 Q713 Y714 S721	A520-N717 WeakPolarHBondContact CB-O 3.49Å; A520-N717 WeakPolarHBondContact O-CB 3.31Å; R523-N717 HydrophobicContact CB-CB 4.3Å; A524-N717 HydrophobicContact CB-CB 3.7Å; Q713-N717 VanDerWaalsContact O-CB 3.23Å; Q713-N717 WeakPolarHBondContact O-CB 3.27Å; Q713-N717 VanDerWaalsContact O-CG 3.29Å; Q713-N717 PolarHBondContact O-N 2.74Å; Q713-N717 PolarHBondContact O-ND2 2.76Å; Y714-N717 PolarHBondContact O-N 3.28Å; N717-S721 WeakPolarHBondContact O-CB 3.44Å; N717-S721 PolarHBondContact O-N 3.25Å
718	M	77.9	Confident	78.6	Confident	70 Å²	70	58.4 Å²	58.4	35%	0.345	30%	0.299	S	S	.	.	H	α-helix	trans	-68.8	-42.4	175.2	-167.3	56.4	37.1	0	0	112	A524 Y714 T715 T716 S721 H722	A524-M718 HydrophobicContact CB-CB 4.37Å; A524-M718 HydrophobicContact CB-CE 3.28Å; Y714-M718 HydrophobicContact CE2-CE 4.18Å; Y714-M718 VanDerWaalsContact O-CB 3.27Å; Y714-M718 WeakPolarHBondContact O-CB 3.27Å; Y714-M718 PolarHBondContact O-N 3.42Å; T715-M718 PolarHBondContact O-N 2.8Å; T716-M718 VanDerWaalsContact C-N 3.31Å; T716-M718 PolarHBondContact O-N 3.4Å; M718-S721 WeakPolarHBondContact O-CB 3.4Å; M718-S721 PolarHBondContact O-N 3.1Å; M718-H722 PolarHBondContact O-N 2.73Å; M718-H722 VanDerWaalsContact O-N 3.12Å
719	T	76.8	Confident	78.2	Confident	77 Å²	77	58.1 Å²	58.1	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-48.6	172.8	-57.9	0	0	0	0	111	T715 T716 S721 H722 E723	T715-T719 PolarHBondContact O-N 3.12Å; T715-T719 PolarHBondContact O-OG1 3.3Å; T715-T719 VanDerWaalsContact O-OG1 3.05Å; T716-T719 PolarHBondContact O-N 2.9Å; T719-S721 VanDerWaalsContact C-N 3.31Å; T719-S721 PolarHBondContact O-N 3.44Å; T719-H722 PolarHBondContact O-N 3.02Å; T719-H722 VanDerWaalsContact O-N 3.09Å; T719-E723 HydrophobicContact CG2-CG 4.49Å; T719-E723 WeakPolarHBondContact O-CG 3.45Å; T719-E723 PolarHBondContact O-N 2.82Å
720	C	75.2	Confident	77.8	Confident	22 Å²	22	60.4 Å²	60.4	15%	0.149	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-40.7	176.4	-67.4	0	0	0	0	112.3	A520 T716 H722 E723 Y724	A520-C720 HydrophobicContact CB-CB 4.23Å; T716-C720 PolarHBondContact O-N 3.05Å; T716-C720 PolarHBondContact O-SG 3.39Å; C720-H722 VanDerWaalsContact C-N 3.29Å; C720-H722 PolarHBondContact O-N 3.38Å; C720-E723 PolarHBondContact O-N 3.45Å; C720-Y724 HydrophobicContact CB-CD2 4.35Å; C720-Y724 HydrophobicContact CB-CE2 4Å; C720-Y724 WeakPolarHBondContact O-CB 3.15Å; C720-Y724 WeakPolarHBondContact O-CD2 3.32Å; C720-Y724 PolarHBondContact O-N 3.43Å
721	S	78.2	Confident	77.3	Confident	19 Å²	19	60.7 Å²	60.7	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-42.5	175.5	178.8	0	0	0	0	111.8	A517 N717 M718 T719 A725	A517-S721 WeakPolarHBondContact CB-O 3.47Å; A517-S721 PolarHBondContact O-OG 2.98Å; N717-S721 WeakPolarHBondContact O-CB 3.44Å; N717-S721 PolarHBondContact O-N 3.25Å; M718-S721 WeakPolarHBondContact O-CB 3.4Å; M718-S721 PolarHBondContact O-N 3.1Å; T719-S721 VanDerWaalsContact C-N 3.31Å; T719-S721 PolarHBondContact O-N 3.44Å; S721-A725 WeakPolarHBondContact O-CB 3.39Å; S721-A725 PolarHBondContact O-N 3.48Å; S721-A725 VanDerWaalsContact O-N 3.17Å
722	H	77.4	Confident	76.8	Confident	132 Å²	132	66.1 Å²	66.1	61%	0.611	34%	0.339	S	S	*	.	H	α-helix	trans	-70.1	-43.1	179.3	-166.3	-78	0	0	0	111.6	M718 T719 C720 A725 E726	M718-H722 PolarHBondContact O-N 2.73Å; M718-H722 VanDerWaalsContact O-N 3.12Å; T719-H722 PolarHBondContact O-N 3.02Å; T719-H722 VanDerWaalsContact O-N 3.09Å; C720-H722 VanDerWaalsContact C-N 3.29Å; C720-H722 PolarHBondContact O-N 3.38Å; H722-A725 PolarHBondContact O-N 2.99Å; H722-E726 PolarHBondContact O-N 3.16Å
723	E	74.9	Confident	76.4	Confident	91 Å²	91	67 Å²	67	43%	0.425	35%	0.35	S	S	.	.	H	α-helix	trans	-60.1	-46.2	175.8	-72	-178.9	168.1	0	0	111.9	T719 C720 A725 E726 M727	T719-E723 HydrophobicContact CG2-CG 4.49Å; T719-E723 WeakPolarHBondContact O-CG 3.45Å; T719-E723 PolarHBondContact O-N 2.82Å; C720-E723 PolarHBondContact O-N 3.45Å; E723-A725 PolarHBondContact O-N 3.08Å; E723-E726 PolarHBondContact O-N 2.9Å; E723-M727 WeakPolarHBondContact O-CB 3.35Å; E723-M727 VanDerWaalsContact O-CG 3.27Å; E723-M727 WeakPolarHBondContact O-CG 3.26Å; E723-M727 PolarHBondContact O-N 3.5Å
724	Y	79.7	Confident	75.3	Confident	43 Å²	43	68.9 Å²	68.9	17%	0.169	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-38.6	178.1	-70.4	-45.7	0	0	0	112.9	M516 A520 C720 M727 A728	M516-Y724 HydrophobicContact CB-CD1 4.07Å; M516-Y724 HydrophobicContact CB-CD2 3.73Å; M516-Y724 HydrophobicContact CB-CE1 4.3Å; M516-Y724 HydrophobicContact CB-CE2 4Å; M516-Y724 HydrophobicContact CB-CG 3.79Å; M516-Y724 HydrophobicContact CE-CD1 4.05Å; M516-Y724 HydrophobicContact CE-CE1 4.08Å; M516-Y724 HydrophobicContact SD-CD1 4.43Å; M516-Y724 HydrophobicContact SD-CE1 4.02Å; A520-Y724 HydrophobicContact CB-CD2 4.28Å; A520-Y724 HydrophobicContact CB-CE2 4.43Å; C720-Y724 HydrophobicContact CB-CD2 4.35Å; C720-Y724 HydrophobicContact CB-CE2 4Å; C720-Y724 WeakPolarHBondContact O-CB 3.15Å; C720-Y724 WeakPolarHBondContact O-CD2 3.32Å; C720-Y724 PolarHBondContact O-N 3.43Å; Y724-M727 HydrophobicContact CD1-SD 4.48Å; Y724-M727 PolarHBondContact O-N 3.48Å; Y724-A728 WeakPolarHBondContact O-CB 3.25Å; Y724-A728 PolarHBondContact O-N 2.99Å
725	A	76.3	Confident	74.4	Confident	50 Å²	50	67.1 Å²	67.1	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-39.6	175.5	0	0	0	0	0	111.8	A517 S721 H722 E723 A728 S729	A517-A725 HydrophobicContact CB-CB 4.13Å; S721-A725 WeakPolarHBondContact O-CB 3.39Å; S721-A725 PolarHBondContact O-N 3.48Å; S721-A725 VanDerWaalsContact O-N 3.17Å; H722-A725 PolarHBondContact O-N 2.99Å; E723-A725 PolarHBondContact O-N 3.08Å; A725-A728 PolarHBondContact O-N 2.71Å; A725-S729 PolarHBondContact O-N 2.87Å; A725-S729 VanDerWaalsContact O-N 3.15Å
726	E	74.8	Confident	73.3	Confident	81 Å²	81	68.5 Å²	68.5	38%	0.379	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-43.3	174.2	-171.7	-179.8	166.7	0	0	111.6	H722 E723 A728 S729 R730	H722-E726 PolarHBondContact O-N 3.16Å; E723-E726 PolarHBondContact O-N 2.9Å; E726-A728 VanDerWaalsContact C-N 3.33Å; E726-A728 PolarHBondContact O-N 3.16Å; E726-S729 PolarHBondContact O-N 2.92Å; E726-R730 HydrophobicContact CG-CG 4.44Å; E726-R730 WeakPolarHBondContact O-CB 3.48Å; E726-R730 WeakPolarHBondContact O-CG 3.38Å; E726-R730 PolarHBondContact O-N 2.82Å; E726-R730 IonicContact OE1-CZ 3.93Å; E726-R730 IonicContact OE1-NE 2.95Å; E726-R730 PolarHBondContact OE1-NE 3.37Å; E726-R730 IonicContact OE1-NH2 3.5Å; E726-R730 PolarHBondContact OE1-NH2 3.06Å
727	M	77.6	Confident	72.4	Confident	87 Å²	87	74.3 Å²	74.3	43%	0.429	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-43.1	174.6	-71.8	-177.3	-170.2	0	0	111.4	Q513 E723 Y724 S729 R730 T731	Q513-M727 HydrophobicContact CG-CB 4.31Å; Q513-M727 PolarHBondContact OE1-O 3.42Å; E723-M727 WeakPolarHBondContact O-CB 3.35Å; E723-M727 VanDerWaalsContact O-CG 3.27Å; E723-M727 WeakPolarHBondContact O-CG 3.26Å; E723-M727 PolarHBondContact O-N 3.5Å; Y724-M727 HydrophobicContact CD1-SD 4.48Å; Y724-M727 PolarHBondContact O-N 3.48Å; M727-S729 VanDerWaalsContact C-N 3.35Å; M727-S729 PolarHBondContact O-N 2.69Å; M727-R730 PolarHBondContact O-N 3.03Å; M727-T731 WeakPolarHBondContact O-CB 3.29Å; M727-T731 PolarHBondContact O-N 3.43Å; M727-T731 PolarHBondContact O-OG1 3.29Å
728	A	76.8	Confident	71.2	Confident	10 Å²	10	79.8 Å²	79.8	8%	0.083	43%	0.429	C	S	.	.	H	α-helix	trans	-58	-46.8	176.7	0	0	0	0	0	111.8	Q513 Q514 Y724 A725 E726 T731 E732	Q513-A728 HydrophobicContact CB-CB 3.75Å; Q513-A728 VanDerWaalsContact OE1-N 3.13Å; Q514-A728 HydrophobicContact CB-CB 4.36Å; Y724-A728 WeakPolarHBondContact O-CB 3.25Å; Y724-A728 PolarHBondContact O-N 2.99Å; A725-A728 PolarHBondContact O-N 2.71Å; E726-A728 VanDerWaalsContact C-N 3.33Å; E726-A728 PolarHBondContact O-N 3.16Å; A728-T731 PolarHBondContact O-N 3.05Å; A728-E732 WeakPolarHBondContact O-CB 3.25Å; A728-E732 PolarHBondContact O-N 3.08Å
729	S	74.2	Confident	70.6	Confident	76 Å²	76	79.6 Å²	79.6	53%	0.531	44%	0.435	S	S	.	.	H	α-helix	trans	-65.1	-41.6	177.1	179.2	0	0	0	0	112.7	A725 E726 M727 E732 S733	A725-S729 PolarHBondContact O-N 2.87Å; A725-S729 VanDerWaalsContact O-N 3.15Å; E726-S729 PolarHBondContact O-N 2.92Å; M727-S729 VanDerWaalsContact C-N 3.35Å; M727-S729 PolarHBondContact O-N 2.69Å; S729-E732 PolarHBondContact O-N 3.07Å; S729-S733 WeakPolarHBondContact O-CB 3.19Å; S729-S733 PolarHBondContact O-N 3.4Å; S729-S733 PolarHBondContact O-OG 2.66Å
730	R	72.9	Confident	70.1	Confident	162 Å²	162	81.4 Å²	81.4	61%	0.611	44%	0.438	S	S	*	.	H	α-helix	trans	-64.3	-39.8	174.3	-73.9	-176.8	-178.2	-135.8	6.8	111.7	E726 M727 S733 M734	E726-R730 HydrophobicContact CG-CG 4.44Å; E726-R730 WeakPolarHBondContact O-CB 3.48Å; E726-R730 WeakPolarHBondContact O-CG 3.38Å; E726-R730 PolarHBondContact O-N 2.82Å; E726-R730 IonicContact OE1-CZ 3.93Å; E726-R730 IonicContact OE1-NE 2.95Å; E726-R730 PolarHBondContact OE1-NE 3.37Å; E726-R730 IonicContact OE1-NH2 3.5Å; E726-R730 PolarHBondContact OE1-NH2 3.06Å; M727-R730 PolarHBondContact O-N 3.03Å; R730-S733 WeakPolarHBondContact CA-OG 2.77Å; R730-S733 PolarHBondContact O-OG 3.39Å; R730-M734 VanDerWaalsContact O-CB 3.24Å; R730-M734 WeakPolarHBondContact O-CB 3.17Å; R730-M734 PolarHBondContact O-N 3.27Å
731	T	73.8	Confident	70.1	Confident	24 Å²	24	83.6 Å²	83.6	15%	0.147	45%	0.448	C	S	.	.	H	α-helix	trans	-66.5	-41.1	176.3	-58.8	0	0	0	0	111.4	T506 I509 A510 Q513 M727 A728 M734 S735	T506-T731 HydrophobicContact CG2-CG2 3.89Å; T506-T731 WeakPolarHBondContact O-CG2 3.4Å; I509-T731 HydrophobicContact CB-CG2 4.07Å; I509-T731 HydrophobicContact CG2-CG2 3.94Å; A510-T731 HydrophobicContact CB-CG2 3.95Å; Q513-T731 PolarHBondContact NE2-OG1 2.92Å; Q513-T731 PolarHBondContact OE1-OG1 3.17Å; M727-T731 WeakPolarHBondContact O-CB 3.29Å; M727-T731 PolarHBondContact O-N 3.43Å; M727-T731 PolarHBondContact O-OG1 3.29Å; A728-T731 PolarHBondContact O-N 3.05Å; T731-M734 PolarHBondContact O-N 3.04Å; T731-S735 WeakPolarHBondContact O-CB 3.38Å; T731-S735 PolarHBondContact O-N 2.87Å
732	E	70.4	Confident	70.3	Confident	136 Å²	136	83.1 Å²	83.1	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-66.4	-44.2	176.6	-169.2	173.5	-167.5	0	0	111.8	A728 S729 S735 G736	A728-E732 WeakPolarHBondContact O-CB 3.25Å; A728-E732 PolarHBondContact O-N 3.08Å; S729-E732 PolarHBondContact O-N 3.07Å; E732-S735 WeakPolarHBondContact O-CB 3.3Å; E732-S735 PolarHBondContact O-N 3.37Å; E732-S735 PolarHBondContact O-OG 3.13Å; E732-G736 PolarHBondContact O-N 3.31Å
733	S	70.2	Confident	70.7	Confident	77 Å²	77	77 Å²	77	54%	0.538	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-38.9	175.3	56.6	0	0	0	0	112.9	S729 R730 S735 G736	S729-S733 WeakPolarHBondContact O-CB 3.19Å; S729-S733 PolarHBondContact O-N 3.4Å; S729-S733 PolarHBondContact O-OG 2.66Å; R730-S733 WeakPolarHBondContact CA-OG 2.77Å; R730-S733 PolarHBondContact O-OG 3.39Å; S733-S735 VanDerWaalsContact C-N 3.33Å; S733-G736 PolarHBondContact O-N 3.31Å
734	M	59.5	Low	71.2	Confident	105 Å²	105	75.7 Å²	75.7	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-35.3	173.2	-167.1	66.2	69.3	0	0	111.9	R730 T731 G736 Q737 M738	R730-M734 VanDerWaalsContact O-CB 3.24Å; R730-M734 WeakPolarHBondContact O-CB 3.17Å; R730-M734 PolarHBondContact O-N 3.27Å; T731-M734 PolarHBondContact O-N 3.04Å; M734-G736 PolarHBondContact O-N 2.92Å; M734-Q737 PolarHBondContact O-N 2.96Å; M734-M738 PolarHBondContact O-N 2.81Å
735	S	62.1	Low	71.4	Confident	29 Å²	29	76.9 Å²	76.9	20%	0.203	42%	0.417	C	S	.	.	H	α-helix	trans	-60	-27.1	177	83.5	0	0	0	0	113.3	T731 E732 S733 Q737	T731-S735 WeakPolarHBondContact O-CB 3.38Å; T731-S735 PolarHBondContact O-N 2.87Å; E732-S735 WeakPolarHBondContact O-CB 3.3Å; E732-S735 PolarHBondContact O-N 3.37Å; E732-S735 PolarHBondContact O-OG 3.13Å; S733-S735 VanDerWaalsContact C-N 3.33Å; S735-Q737 VanDerWaalsContact C-N 3.31Å
736	G	55.6	Low	72	Confident	69 Å²	69	74.5 Å²	74.5	71%	0.711	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.9	173.5	0	0	0	0	0	114.2	E732 S733 M734	E732-G736 PolarHBondContact O-N 3.31Å; S733-G736 PolarHBondContact O-N 3.31Å; M734-G736 PolarHBondContact O-N 2.92Å
737	Q	57.4	Low	72.6	Confident	172 Å²	172	70.9 Å²	70.9	80%	0.804	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-26.4	-178.9	-64.5	-175.9	-5.4	0	0	113	M734 S735	M734-Q737 PolarHBondContact O-N 2.96Å; S735-Q737 VanDerWaalsContact C-N 3.31Å
738	M	54.3	Low	73.1	Confident	144 Å²	144	72.3 Å²	72.3	71%	0.709	39%	0.387	S	S	*	.			trans	-145.5	102.9	-177.3	-169.8	167.7	164.1	0	0	109.8	M734	M734-M738 PolarHBondContact O-N 2.81Å
739	S	63.7	Low	73.7	Confident	65 Å²	65	72.2 Å²	72.2	46%	0.455	38%	0.384	S	S	.	.			trans	-119.6	112.2	177.2	171.2	0	0	0	0	109.3	N504 D741	N504-S739 PolarHBondContact ND2-OG 3.26Å; S739-D741 PolarHBondContact O-N 2.79Å
740	E	67.9	Low	74.5	Confident	116 Å²	116	68.6 Å²	68.6	54%	0.542	36%	0.359	S	S	.	.			trans	-82.4	112.4	171.8	-166.2	177.6	172.8	0	0	109.3	L742 Q745	E740-L742 HydrophobicContact CG-CD2 3.85Å; E740-Q745 PolarHBondContact OE1-NE2 3.07Å
741	D	75	Confident	75.2	Confident	67 Å²	67	66.5 Å²	66.5	36%	0.358	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-88	109.4	173.8	178.2	0	0	0	0	109.3	M496 S739 S743	M496-D741 HydrophobicContact CE-CB 3.47Å; M496-D741 VanDerWaalsContact CE-CB 3.47Å; M496-D741 WeakPolarHBondContact CE-OD2 3.29Å; S739-D741 PolarHBondContact O-N 2.79Å; D741-S743 PolarHBondContact O-N 3.32Å; D741-S743 WeakPolarHBondContact OD1-CB 3.48Å; D741-S743 PolarHBondContact OD1-N 3.13Å; D741-S743 PolarHBondContact OD1-OG 3.41Å
742	L	82.5	Confident	75.9	Confident	9 Å²	9	74 Å²	74	5%	0.047	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	9.8	-177.3	-56.9	177.7	0	0	0	112.6	I503 A505 E740 Q744 Q745 F746 F781 V786	I503-L742 HydrophobicContact CB-CB 4.19Å; I503-L742 HydrophobicContact CG2-CB 4.22Å; I503-L742 HydrophobicContact CG2-CD1 4.23Å; I503-L742 PolarHBondContact O-N 3.41Å; A505-L742 HydrophobicContact CB-CD1 3.94Å; E740-L742 HydrophobicContact CG-CD2 3.85Å; L742-Q744 VanDerWaalsContact C-N 3.25Å; L742-Q744 PolarHBondContact O-N 3.22Å; L742-Q745 VanDerWaalsContact CD2-NE2 3.31Å; L742-Q745 PolarHBondContact O-N 3.45Å; L742-F746 PolarHBondContact O-N 2.99Å; L742-F781 HydrophobicContact CB-CE1 4Å; L742-F781 HydrophobicContact CB-CZ 4.09Å; L742-F781 HydrophobicContact CD1-CE1 4.17Å; L742-F781 HydrophobicContact CD1-CZ 4.47Å; L742-V786 HydrophobicContact CD1-CG2 3.57Å
743	S	85.7	Confident	76.7	Confident	4 Å²	4	73.3 Å²	73.3	3%	0.028	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-36.7	-178.2	-61.3	0	0	0	0	112.7	S497 L499 D741 F746 A747	S497-S743 VanDerWaalsContact O-CB 3.23Å; S497-S743 WeakPolarHBondContact O-CB 3.18Å; L499-S743 VanDerWaalsContact CD1-O 3.22Å; L499-S743 WeakPolarHBondContact CD1-O 3.18Å; D741-S743 PolarHBondContact O-N 3.32Å; D741-S743 WeakPolarHBondContact OD1-CB 3.48Å; D741-S743 PolarHBondContact OD1-N 3.13Å; D741-S743 PolarHBondContact OD1-OG 3.41Å; S743-F746 PolarHBondContact O-N 3.35Å; S743-A747 PolarHBondContact O-N 3.4Å
744	Q	83.8	Confident	77.6	Confident	64 Å²	64	70.4 Å²	70.4	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-68.6	-38.7	175.5	-173.5	61.2	17.2	0	0	112.4	S497 L742 A747 Q748	S497-Q744 PolarHBondContact OG-OE1 2.91Å; L742-Q744 VanDerWaalsContact C-N 3.25Å; L742-Q744 PolarHBondContact O-N 3.22Å; Q744-A747 PolarHBondContact O-N 2.93Å; Q744-Q748 WeakPolarHBondContact O-CG 3.16Å; Q744-Q748 PolarHBondContact O-N 2.82Å; Q744-Q748 VanDerWaalsContact O-N 3.11Å
745	Q	85.1	Confident	78.7	Confident	68 Å²	68	69.9 Å²	69.9	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-68.9	-37.5	176.1	-62	177.8	27.4	0	0	110.9	E740 L742 Q748 Y749 F781	E740-Q745 PolarHBondContact OE1-NE2 3.07Å; L742-Q745 VanDerWaalsContact CD2-NE2 3.31Å; L742-Q745 PolarHBondContact O-N 3.45Å; Q745-Q748 PolarHBondContact O-N 3.41Å; Q745-Y749 WeakPolarHBondContact O-CB 3.45Å; Q745-Y749 PolarHBondContact O-N 2.98Å; Q745-F781 HydrophobicContact CB-CE2 3.95Å; Q745-F781 HydrophobicContact CB-CZ 3.74Å
746	F	89.7	Confident	79.8	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-42.6	173.3	178.5	-123.6	0	0	0	112.2	L499 I503 L742 S743 Q748 Y749 V750 L762 R774 M777 A778 F781	L499-F746 HydrophobicContact CD1-CD1 3.55Å; L499-F746 HydrophobicContact CD1-CE1 4.23Å; L499-F746 HydrophobicContact CD1-CG 4.46Å; I503-F746 HydrophobicContact CD1-CB 3.76Å; I503-F746 HydrophobicContact CD1-CD1 4.07Å; I503-F746 HydrophobicContact CD1-CD2 3.75Å; I503-F746 HydrophobicContact CD1-CE2 4.43Å; I503-F746 HydrophobicContact CD1-CG 3.56Å; I503-F746 HydrophobicContact CG1-CB 4.49Å; I503-F746 HydrophobicContact CG1-CG 4.46Å; L742-F746 PolarHBondContact O-N 2.99Å; S743-F746 PolarHBondContact O-N 3.35Å; F746-Q748 VanDerWaalsContact C-N 3.31Å; F746-Q748 PolarHBondContact O-N 3.33Å; F746-Y749 HydrophobicContact CD2-CD1 4.42Å; F746-Y749 WeakPolarHBondContact O-CB 3.25Å; F746-Y749 PolarHBondContact O-N 2.74Å; F746-V750 HydrophobicContact CD2-CG2 3.98Å; F746-V750 HydrophobicContact CE1-CG2 4.14Å; F746-V750 HydrophobicContact CE2-CG2 3.39Å; F746-V750 HydrophobicContact CZ-CG2 3.49Å; F746-V750 VanDerWaalsContact CZ-CG2 3.49Å; F746-V750 WeakPolarHBondContact O-CG2 3.44Å; F746-V750 PolarHBondContact O-N 3.37Å; F746-L762 HydrophobicContact CD1-CD2 4.42Å; F746-L762 HydrophobicContact CE1-CD2 4.2Å; F746-R774 HydrophobicContact CE1-CG 4.22Å; F746-R774 HydrophobicContact CZ-CG 4.23Å; F746-M777 HydrophobicContact CE2-CB 4.22Å; F746-M777 HydrophobicContact CZ-CB 4.45Å; F746-A778 HydrophobicContact CE1-CB 4.35Å; F746-A778 HydrophobicContact CE2-CB 3.82Å; F746-A778 VanDerWaalsContact CE2-N 3.34Å; F746-A778 HydrophobicContact CZ-CB 3.73Å; F746-F781 HydrophobicContact CB-CD1 4.32Å; F746-F781 HydrophobicContact CB-CE1 4.3Å; F746-F781 HydrophobicContact CB-CG 4.44Å; F746-F781 HydrophobicContact CB-CZ 4.41Å; F746-F781 HydrophobicContact CD2-CB 3.77Å; F746-F781 HydrophobicContact CD2-CD1 4.21Å; F746-F781 HydrophobicContact CD2-CD2 4.36Å; F746-F781 AromaticContact CD2-CG 3.85Å; F746-F781 HydrophobicContact CD2-CG 3.85Å; F746-F781 HydrophobicContact CE2-CB 4.23Å
747	A	87.5	Confident	81.3	Confident	4 Å²	4	78.1 Å²	78.1	3%	0.033	38%	0.384	C	S	.	.	H	α-helix	trans	-55.4	-49	172.2	0	0	0	0	0	110.8	L499 S743 Q744 Y749 V750 M751 L762	L499-A747 HydrophobicContact CD1-CB 4.13Å; S743-A747 PolarHBondContact O-N 3.4Å; Q744-A747 PolarHBondContact O-N 2.93Å; A747-Y749 VanDerWaalsContact C-N 3.31Å; A747-Y749 PolarHBondContact O-N 3.48Å; A747-V750 PolarHBondContact O-N 2.93Å; A747-M751 WeakPolarHBondContact O-CB 3.23Å; A747-M751 VanDerWaalsContact O-CG 3.23Å; A747-M751 WeakPolarHBondContact O-CG 3.21Å; A747-M751 PolarHBondContact O-N 3.42Å; A747-L762 HydrophobicContact CB-CD1 4.11Å; A747-L762 HydrophobicContact CB-CD2 4.37Å
748	Q	87.1	Confident	82.6	Confident	117 Å²	117	70.3 Å²	70.3	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-37.7	177.6	-70.9	178.6	-3.7	0	0	113	Q744 Q745 F746 M751 K752	Q744-Q748 WeakPolarHBondContact O-CG 3.16Å; Q744-Q748 PolarHBondContact O-N 2.82Å; Q744-Q748 VanDerWaalsContact O-N 3.11Å; Q745-Q748 PolarHBondContact O-N 3.41Å; F746-Q748 VanDerWaalsContact C-N 3.31Å; F746-Q748 PolarHBondContact O-N 3.33Å; Q748-M751 PolarHBondContact O-N 2.76Å; Q748-K752 WeakPolarHBondContact O-CB 3.48Å; Q748-K752 PolarHBondContact O-N 3.5Å
749	Y	90.2	Very high	83.9	Confident	8 Å²	8	70.7 Å²	70.7	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-47.9	176.9	178.1	-96.6	0	0	0	112.6	Q745 F746 A747 M751 K752 R753 M777 T780 F781 E784	Q745-Y749 WeakPolarHBondContact O-CB 3.45Å; Q745-Y749 PolarHBondContact O-N 2.98Å; F746-Y749 HydrophobicContact CD2-CD1 4.42Å; F746-Y749 WeakPolarHBondContact O-CB 3.25Å; F746-Y749 PolarHBondContact O-N 2.74Å; A747-Y749 VanDerWaalsContact C-N 3.31Å; A747-Y749 PolarHBondContact O-N 3.48Å; Y749-M751 VanDerWaalsContact C-N 3.31Å; Y749-M751 PolarHBondContact O-N 2.94Å; Y749-K752 PolarHBondContact O-N 3.22Å; Y749-K752 VanDerWaalsContact O-N 3.15Å; Y749-R753 VanDerWaalsContact CE1-CD 3.42Å; Y749-R753 VanDerWaalsContact CE2-NE 3.28Å; Y749-R753 PolarHBondContact O-N 3.44Å; Y749-R753 VanDerWaalsContact O-N 3.07Å; Y749-R753 PolarHBondContact OH-NE 3.44Å; Y749-R753 VanDerWaalsContact OH-NE 3.1Å; Y749-R753 PolarHBondContact OH-NH1 2.85Å; Y749-M777 WeakPolarHBondContact CE1-O 3.3Å; Y749-T780 WeakPolarHBondContact CE1-OG1 3.41Å; Y749-T780 WeakPolarHBondContact OH-CB 3.4Å; Y749-T780 PolarHBondContact OH-O 2.88Å; Y749-T780 VanDerWaalsContact OH-O 3.05Å; Y749-T780 PolarHBondContact OH-OG1 3.37Å; Y749-F781 HydrophobicContact CD1-CB 3.66Å; Y749-F781 HydrophobicContact CD1-CD2 4.04Å; Y749-F781 HydrophobicContact CD1-CG 4.31Å; Y749-F781 HydrophobicContact CD2-CB 4.46Å; Y749-F781 AromaticContact CD2-CD2 3.78Å; Y749-F781 HydrophobicContact CD2-CD2 3.78Å; Y749-F781 HydrophobicContact CE1-CB 3.64Å; Y749-F781 HydrophobicContact CE2-CB 4.43Å; Y749-F781 HydrophobicContact CE2-CD2 4.38Å; Y749-F781 HydrophobicContact CG-CB 4.05Å; Y749-F781 AromaticContact CG-CD2 3.53Å; Y749-F781 HydrophobicContact CG-CD2 3.53Å; Y749-F781 HydrophobicContact CG-CE2 4.48Å; Y749-F781 HydrophobicContact CG-CG 4.25Å; Y749-F781 PolarHBondContact OH-N 2.76Å; Y749-E784 HydrophobicContact CE2-CB 4.48Å; Y749-E784 WeakPolarHBondContact CE2-OE2 3.19Å; Y749-E784 PolarHBondContact OH-OE2 3.27Å
750	V	90.1	Very high	85	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-43.2	176.1	171.1	0	0	0	0	110.2	F746 A747 K752 R753 A754 A758 I761 L762 M777	F746-V750 HydrophobicContact CD2-CG2 3.98Å; F746-V750 HydrophobicContact CE1-CG2 4.14Å; F746-V750 HydrophobicContact CE2-CG2 3.39Å; F746-V750 HydrophobicContact CZ-CG2 3.49Å; F746-V750 VanDerWaalsContact CZ-CG2 3.49Å; F746-V750 WeakPolarHBondContact O-CG2 3.44Å; F746-V750 PolarHBondContact O-N 3.37Å; A747-V750 PolarHBondContact O-N 2.93Å; V750-K752 VanDerWaalsContact C-N 3.27Å; V750-K752 PolarHBondContact O-N 2.68Å; V750-R753 PolarHBondContact O-N 2.81Å; V750-A754 CarbonylContact O-C 3.56Å; V750-A754 PolarHBondContact O-N 3.39Å; V750-A758 HydrophobicContact CG1-CB 3.88Å; V750-I761 HydrophobicContact CG1-CB 4.29Å; V750-I761 HydrophobicContact CG1-CG2 4.11Å; V750-L762 HydrophobicContact CB-CD1 4.27Å; V750-L762 HydrophobicContact CB-CD2 3.95Å; V750-L762 HydrophobicContact CB-CG 4.18Å; V750-L762 HydrophobicContact CG1-CD1 4.15Å; V750-L762 HydrophobicContact CG1-CD2 4.11Å; V750-L762 HydrophobicContact CG1-CG 3.87Å; V750-L762 HydrophobicContact CG2-CD2 3.96Å; V750-M777 HydrophobicContact CB-CE 4.35Å; V750-M777 HydrophobicContact CB-SD 4.49Å; V750-M777 HydrophobicContact CG1-CE 3.67Å; V750-M777 HydrophobicContact CG1-SD 4.2Å; V750-M777 HydrophobicContact CG2-CB 4.24Å; V750-M777 HydrophobicContact CG2-CE 3.93Å; V750-M777 HydrophobicContact CG2-SD 4.13Å
751	M	87	Confident	85.9	Confident	118 Å²	118	64 Å²	64	58%	0.581	32%	0.318	S	S	*	.	H	α-helix	trans	-60.5	-34.7	175.6	-71.3	-179.8	82	0	0	112.9	A747 Q748 Y749 P755 A758 L762	A747-M751 WeakPolarHBondContact O-CB 3.23Å; A747-M751 VanDerWaalsContact O-CG 3.23Å; A747-M751 WeakPolarHBondContact O-CG 3.21Å; A747-M751 PolarHBondContact O-N 3.42Å; Q748-M751 PolarHBondContact O-N 2.76Å; Y749-M751 VanDerWaalsContact C-N 3.31Å; Y749-M751 PolarHBondContact O-N 2.94Å; M751-P755 WeakPolarHBondContact O-CA 3.23Å; M751-P755 WeakPolarHBondContact O-CB 3.35Å; M751-A758 HydrophobicContact CG-CB 4.06Å; M751-L762 HydrophobicContact CG-CD1 4.28Å
752	K	89	Confident	86.5	Confident	182 Å²	182	61.8 Å²	61.8	79%	0.791	31%	0.305	S	S	*	.	H	α-helix	trans	-75.5	-33.4	179.2	-169.5	175.9	-179	-179.3	0	112.9	Q748 Y749 V750	Q748-K752 WeakPolarHBondContact O-CB 3.48Å; Q748-K752 PolarHBondContact O-N 3.5Å; Y749-K752 PolarHBondContact O-N 3.22Å; Y749-K752 VanDerWaalsContact O-N 3.15Å; V750-K752 VanDerWaalsContact C-N 3.27Å; V750-K752 PolarHBondContact O-N 2.68Å
753	R	88.4	Confident	86.6	Confident	121 Å²	121	65.5 Å²	65.5	46%	0.457	33%	0.329	S	S	.	.	H	α-helix	trans	-95.5	-41.3	-172.7	-78.6	179.3	166.4	-127.1	-26.6	114.7	Y749 V750 P755 E784	Y749-R753 VanDerWaalsContact CE1-CD 3.42Å; Y749-R753 VanDerWaalsContact CE2-NE 3.28Å; Y749-R753 PolarHBondContact O-N 3.44Å; Y749-R753 VanDerWaalsContact O-N 3.07Å; Y749-R753 PolarHBondContact OH-NE 3.44Å; Y749-R753 VanDerWaalsContact OH-NE 3.1Å; Y749-R753 PolarHBondContact OH-NH1 2.85Å; V750-R753 PolarHBondContact O-N 2.81Å; R753-P755 WeakPolarHBondContact O-CD 3.33Å; R753-E784 IonicContact CZ-OE1 2.86Å; R753-E784 IonicContact CZ-OE2 2.65Å; R753-E784 IonicContact NE-OE2 2.91Å; R753-E784 PolarHBondContact NE-OE2 2.88Å; R753-E784 IonicContact NH1-OE1 3.32Å; R753-E784 PolarHBondContact NH1-OE1 3.33Å; R753-E784 IonicContact NH1-OE2 2.66Å; R753-E784 PolarHBondContact NH1-OE2 3.33Å; R753-E784 IonicContact NH2-OE1 2.83Å; R753-E784 PolarHBondContact NH2-OE1 2.71Å; R753-E784 IonicContact NH2-OE2 3Å; R753-E784 PolarHBondContact NH2-OE2 3.47Å
754	A	87.6	Confident	86.5	Confident	16 Å²	16	67.4 Å²	67.4	13%	0.132	34%	0.338	C	S	.	.			trans	-122.8	60	-179	0	0	0	0	0	109.1	V750 Q756 D757 A758 I761 M777	V750-A754 CarbonylContact O-C 3.56Å; V750-A754 PolarHBondContact O-N 3.39Å; A754-Q756 PolarHBondContact O-N 2.97Å; A754-Q756 VanDerWaalsContact O-N 3.07Å; A754-D757 PolarHBondContact O-N 3.4Å; A754-A758 WeakPolarHBondContact O-CA 3.48Å; A754-A758 VanDerWaalsContact O-CB 3.3Å; A754-A758 WeakPolarHBondContact O-CB 3.41Å; A754-A758 PolarHBondContact O-N 3.1Å; A754-I761 HydrophobicContact CB-CD1 4.24Å; A754-M777 HydrophobicContact CB-CE 4.29Å; A754-M777 HydrophobicContact CB-SD 3.88Å
755	P	84.1	Confident	86.3	Confident	95 Å²	95	69.7 Å²	69.7	62%	0.617	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.4	-173.9	24	-34.4	0	0	0	112.9	M751 R753	M751-P755 WeakPolarHBondContact O-CA 3.23Å; M751-P755 WeakPolarHBondContact O-CB 3.35Å; R753-P755 WeakPolarHBondContact O-CD 3.33Å
756	Q	84	Confident	86.2	Confident	185 Å²	185	71.4 Å²	71.4	86%	0.864	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.3	-179.9	-63.8	-174.5	2.2	0	0	113.3	A754	A754-Q756 PolarHBondContact O-N 2.97Å; A754-Q756 VanDerWaalsContact O-N 3.07Å
757	D	86.5	Confident	86	Confident	86 Å²	86	72.3 Å²	72.3	46%	0.46	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	0.8	-174.9	-62	-39.4	0	0	0	112.9	A754 E759 A760 I761	A754-D757 PolarHBondContact O-N 3.4Å; D757-E759 VanDerWaalsContact C-N 3.33Å; D757-E759 PolarHBondContact O-N 2.9Å; D757-A760 PolarHBondContact O-N 2.95Å; D757-I761 HydrophobicContact CB-CD1 3.48Å; D757-I761 VanDerWaalsContact CB-CD1 3.48Å; D757-I761 HydrophobicContact CB-CG1 4.11Å; D757-I761 WeakPolarHBondContact O-CB 3.23Å; D757-I761 VanDerWaalsContact O-CG1 3.24Å; D757-I761 WeakPolarHBondContact O-CG1 3.48Å; D757-I761 PolarHBondContact O-N 2.96Å
758	A	84.9	Confident	85.9	Confident	8 Å²	8	76.3 Å²	76.3	7%	0.066	41%	0.409	C	S	.	.	H	α-helix	trans	-56.1	-44	-169.5	0	0	0	0	0	112.9	V750 M751 A754 I761 L762	V750-A758 HydrophobicContact CG1-CB 3.88Å; M751-A758 HydrophobicContact CG-CB 4.06Å; A754-A758 WeakPolarHBondContact O-CA 3.48Å; A754-A758 VanDerWaalsContact O-CB 3.3Å; A754-A758 WeakPolarHBondContact O-CB 3.41Å; A754-A758 PolarHBondContact O-N 3.1Å; A758-I761 PolarHBondContact O-N 3.46Å; A758-L762 WeakPolarHBondContact O-CB 3.16Å; A758-L762 WeakPolarHBondContact O-CD1 3.46Å; A758-L762 WeakPolarHBondContact O-CG 3.35Å; A758-L762 PolarHBondContact O-N 3.02Å
759	E	83.4	Confident	85.9	Confident	152 Å²	152	77.5 Å²	77.5	71%	0.71	41%	0.414	S	S	*	.	H	α-helix	trans	-64.3	-47.8	179.6	-175.6	-179.8	178.2	0	0	111.7	D757 I761 L762 T763	D757-E759 VanDerWaalsContact C-N 3.33Å; D757-E759 PolarHBondContact O-N 2.9Å; E759-I761 VanDerWaalsContact C-N 3.29Å; E759-I761 PolarHBondContact O-N 2.93Å; E759-L762 PolarHBondContact O-N 3.34Å; E759-T763 HydrophobicContact CG-CG2 4.31Å; E759-T763 WeakPolarHBondContact O-CB 3.2Å; E759-T763 WeakPolarHBondContact O-CG2 3.36Å; E759-T763 PolarHBondContact O-N 3.03Å; E759-T763 PolarHBondContact O-OG1 3.48Å
760	A	85.9	Confident	85.8	Confident	39 Å²	39	78.9 Å²	78.9	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-59.5	-44.9	177.5	0	0	0	0	0	110.1	D757 L762 N764 I770	D757-A760 PolarHBondContact O-N 2.95Å; A760-L762 PolarHBondContact O-N 3.01Å; A760-N764 WeakPolarHBondContact O-CB 3.41Å; A760-N764 PolarHBondContact O-N 3.43Å; A760-I770 HydrophobicContact CB-CD1 4.3Å; A760-I770 WeakPolarHBondContact O-CG2 3.19Å
761	I	87.2	Confident	85.5	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.01	43%	0.427	C	S	.	.	H	α-helix	trans	-65.7	-40.3	179.9	-64.3	167.4	0	0	0	111.3	V750 A754 D757 A758 E759 I770 R774 M777	V750-I761 HydrophobicContact CG1-CB 4.29Å; V750-I761 HydrophobicContact CG1-CG2 4.11Å; A754-I761 HydrophobicContact CB-CD1 4.24Å; D757-I761 HydrophobicContact CB-CD1 3.48Å; D757-I761 VanDerWaalsContact CB-CD1 3.48Å; D757-I761 HydrophobicContact CB-CG1 4.11Å; D757-I761 WeakPolarHBondContact O-CB 3.23Å; D757-I761 VanDerWaalsContact O-CG1 3.24Å; D757-I761 WeakPolarHBondContact O-CG1 3.48Å; D757-I761 PolarHBondContact O-N 2.96Å; A758-I761 PolarHBondContact O-N 3.46Å; E759-I761 VanDerWaalsContact C-N 3.29Å; E759-I761 PolarHBondContact O-N 2.93Å; I761-I770 HydrophobicContact CG1-CG2 4.29Å; I761-R774 HydrophobicContact CG2-CB 3.75Å; I761-R774 HydrophobicContact CG2-CG 4.15Å; I761-R774 VanDerWaalsContact O-CD 3.23Å; I761-R774 WeakPolarHBondContact O-CD 3.35Å; I761-R774 PolarHBondContact O-NH1 2.88Å; I761-M777 HydrophobicContact CB-CE 3.88Å; I761-M777 HydrophobicContact CD1-CE 3.28Å; I761-M777 HydrophobicContact CG1-CE 4.01Å; I761-M777 HydrophobicContact CG2-CE 3.09Å
762	L	86.5	Confident	85.5	Confident	19 Å²	19	80.3 Å²	80.3	10%	0.099	43%	0.429	C	S	.	.	H	α-helix	trans	-80.5	-25.2	-177.6	-67.5	171.8	0	0	0	114.1	L499 P500 F746 A747 V750 M751 A758 E759 A760	L499-L762 HydrophobicContact CD1-CD2 3.78Å; L499-L762 HydrophobicContact CD2-CB 3.91Å; L499-L762 HydrophobicContact CD2-CD2 3.83Å; L499-L762 HydrophobicContact CD2-CG 4.37Å; L499-L762 HydrophobicContact CG-CD2 4.43Å; P500-L762 WeakPolarHBondContact CD-O 3.27Å; F746-L762 HydrophobicContact CD1-CD2 4.42Å; F746-L762 HydrophobicContact CE1-CD2 4.2Å; A747-L762 HydrophobicContact CB-CD1 4.11Å; A747-L762 HydrophobicContact CB-CD2 4.37Å; V750-L762 HydrophobicContact CB-CD1 4.27Å; V750-L762 HydrophobicContact CB-CD2 3.95Å; V750-L762 HydrophobicContact CB-CG 4.18Å; V750-L762 HydrophobicContact CG1-CD1 4.15Å; V750-L762 HydrophobicContact CG1-CD2 4.11Å; V750-L762 HydrophobicContact CG1-CG 3.87Å; V750-L762 HydrophobicContact CG2-CD2 3.96Å; M751-L762 HydrophobicContact CG-CD1 4.28Å; A758-L762 WeakPolarHBondContact O-CB 3.16Å; A758-L762 WeakPolarHBondContact O-CD1 3.46Å; A758-L762 WeakPolarHBondContact O-CG 3.35Å; A758-L762 PolarHBondContact O-N 3.02Å; E759-L762 PolarHBondContact O-N 3.34Å; A760-L762 PolarHBondContact O-N 3.01Å
763	T	84.1	Confident	85.5	Confident	87 Å²	87	75.6 Å²	75.6	53%	0.534	41%	0.41	S	S	.	.	H	α-helix	trans	-116.8	-29.2	-171.7	65.9	0	0	0	0	114.8	E759 T765	E759-T763 HydrophobicContact CG-CG2 4.31Å; E759-T763 WeakPolarHBondContact O-CB 3.2Å; E759-T763 WeakPolarHBondContact O-CG2 3.36Å; E759-T763 PolarHBondContact O-N 3.03Å; E759-T763 PolarHBondContact O-OG1 3.48Å; T763-T765 PolarHBondContact O-N 3.33Å
764	N	84.2	Confident	85.5	Confident	44 Å²	44	70.5 Å²	70.5	24%	0.235	39%	0.391	C	S	.	.			trans	-76.1	113.3	-174.2	-170.1	-37.1	0	0	0	111.1	A760 S766 S767 I770 R774	A760-N764 WeakPolarHBondContact O-CB 3.41Å; A760-N764 PolarHBondContact O-N 3.43Å; N764-S766 PolarHBondContact OD1-N 2.76Å; N764-S766 PolarHBondContact OD1-OG 2.87Å; N764-S767 PolarHBondContact OD1-N 3.24Å; N764-I770 HydrophobicContact CB-CD1 4.03Å; N764-I770 HydrophobicContact CB-CG2 4.14Å; N764-I770 WeakPolarHBondContact ND2-CD1 3.21Å; N764-R774 PolarHBondContact O-NH1 3.2Å; N764-R774 PolarHBondContact O-NH2 2.84Å
765	T	80.6	Confident	85.4	Confident	112 Å²	112	77.1 Å²	77.1	69%	0.687	41%	0.412	S	S	*	.			trans	-98.7	-7.8	177	53	0	0	0	0	113.6	P500 T763	P500-T765 HydrophobicContact CB-CG2 4.01Å; P500-T765 HydrophobicContact CG-CG2 3.6Å; T763-T765 PolarHBondContact O-N 3.33Å
766	S	82.6	Confident	85.6	Confident	104 Å²	104	75.1 Å²	75.1	73%	0.727	40%	0.404	S	S	*	.	S	Bend	trans	-96	-27.9	-171.4	51.5	0	0	0	0	114.6	N764	N764-S766 PolarHBondContact OD1-N 2.76Å; N764-S766 PolarHBondContact OD1-OG 2.87Å
767	S	85.3	Confident	85.8	Confident	20 Å²	20	66.9 Å²	66.9	14%	0.14	37%	0.365	C	S	.	.			trans	-88.2	123.8	176.3	161.6	0	0	0	0	111.8	N764 E769 I770 A771	N764-S767 PolarHBondContact OD1-N 3.24Å; S767-E769 VanDerWaalsContact C-N 3.33Å; S767-E769 PolarHBondContact OG-N 3.13Å; S767-E769 PolarHBondContact OG-OE2 3.3Å; S767-I770 PolarHBondContact O-N 3.1Å; S767-I770 WeakPolarHBondContact OG-CG1 3.31Å; S767-I770 PolarHBondContact OG-N 3.29Å; S767-I770 VanDerWaalsContact OG-N 3.12Å; S767-A771 PolarHBondContact O-N 3.38Å
768	P	86	Confident	85.8	Confident	88 Å²	88	63.3 Å²	63.3	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-65.4	-34.2	173	26	-31.7	0	0	0	112.2	I770 A771 E772	P768-I770 PolarHBondContact O-N 3.49Å; P768-A771 WeakPolarHBondContact O-CB 3.48Å; P768-A771 PolarHBondContact O-N 2.82Å; P768-E772 PolarHBondContact O-N 2.59Å
769	E	86.7	Confident	85.7	Confident	141 Å²	141	70.8 Å²	70.8	66%	0.659	38%	0.375	S	S	*	.	H	α-helix	trans	-63.7	-42.9	177.3	-55.4	101.6	176.8	0	0	111.3	S767 A771 E772 H773	S767-E769 VanDerWaalsContact C-N 3.33Å; S767-E769 PolarHBondContact OG-N 3.13Å; S767-E769 PolarHBondContact OG-OE2 3.3Å; E769-A771 VanDerWaalsContact C-N 3.32Å; E769-A771 PolarHBondContact O-N 3.2Å; E769-E772 PolarHBondContact O-N 2.78Å; E769-H773 PolarHBondContact O-N 2.88Å
770	I	87.3	Confident	85.9	Confident	38 Å²	38	65.2 Å²	65.2	20%	0.195	35%	0.351	C	S	.	.	H	α-helix	trans	-68.1	-35.5	176.7	-63.9	174.2	0	0	0	110.8	A760 I761 N764 S767 P768 H773 R774	A760-I770 HydrophobicContact CB-CD1 4.3Å; A760-I770 WeakPolarHBondContact O-CG2 3.19Å; I761-I770 HydrophobicContact CG1-CG2 4.29Å; N764-I770 HydrophobicContact CB-CD1 4.03Å; N764-I770 HydrophobicContact CB-CG2 4.14Å; N764-I770 WeakPolarHBondContact ND2-CD1 3.21Å; S767-I770 PolarHBondContact O-N 3.1Å; S767-I770 WeakPolarHBondContact OG-CG1 3.31Å; S767-I770 PolarHBondContact OG-N 3.29Å; S767-I770 VanDerWaalsContact OG-N 3.12Å; P768-I770 PolarHBondContact O-N 3.49Å; I770-H773 PolarHBondContact O-N 3.04Å; I770-R774 VanDerWaalsContact O-CB 3.32Å; I770-R774 WeakPolarHBondContact O-CB 3.38Å; I770-R774 PolarHBondContact O-N 3.09Å
771	A	84.7	Confident	86	Confident	13 Å²	13	63.3 Å²	63.3	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-39.2	174.9	0	0	0	0	0	112.4	S767 P768 E769 R775	S767-A771 PolarHBondContact O-N 3.38Å; P768-A771 WeakPolarHBondContact O-CB 3.48Å; P768-A771 PolarHBondContact O-N 2.82Å; E769-A771 VanDerWaalsContact C-N 3.32Å; E769-A771 PolarHBondContact O-N 3.2Å; A771-R775 WeakPolarHBondContact O-CG 3.47Å; A771-R775 PolarHBondContact O-N 3.4Å
772	E	86.7	Confident	85.7	Confident	134 Å²	134	64.5 Å²	64.5	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-65.4	-45.4	172.7	-74.8	-172.2	167.3	0	0	111.8	P768 E769 R774 R775 A776	P768-E772 PolarHBondContact O-N 2.59Å; E769-E772 PolarHBondContact O-N 2.78Å; E772-R774 VanDerWaalsContact C-N 3.34Å; E772-R774 PolarHBondContact O-N 3.29Å; E772-R775 PolarHBondContact O-N 3.01Å; E772-R775 VanDerWaalsContact O-N 3.15Å; E772-A776 PolarHBondContact O-N 2.82Å
773	H	87.8	Confident	85.4	Confident	84 Å²	84	67.8 Å²	67.8	39%	0.389	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-41.7	177	-165.2	179.2	0	0	0	111.9	E769 I770 R775 A776 M777	E769-H773 PolarHBondContact O-N 2.88Å; I770-H773 PolarHBondContact O-N 3.04Å; H773-R775 PolarHBondContact O-N 3.04Å; H773-A776 PolarHBondContact O-N 2.84Å; H773-M777 PolarHBondContact O-N 3.37Å
774	R	89.3	Confident	85.3	Confident	13 Å²	13	67.6 Å²	67.6	5%	0.049	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-44.3	172.8	-177.5	176.5	41.5	-108.3	4.2	111.7	V501 F746 I761 N764 I770 E772 M777 A778	V501-R774 HydrophobicContact CG2-CG 3.99Å; F746-R774 HydrophobicContact CE1-CG 4.22Å; F746-R774 HydrophobicContact CZ-CG 4.23Å; I761-R774 HydrophobicContact CG2-CB 3.75Å; I761-R774 HydrophobicContact CG2-CG 4.15Å; I761-R774 VanDerWaalsContact O-CD 3.23Å; I761-R774 WeakPolarHBondContact O-CD 3.35Å; I761-R774 PolarHBondContact O-NH1 2.88Å; N764-R774 PolarHBondContact O-NH1 3.2Å; N764-R774 PolarHBondContact O-NH2 2.84Å; I770-R774 VanDerWaalsContact O-CB 3.32Å; I770-R774 WeakPolarHBondContact O-CB 3.38Å; I770-R774 PolarHBondContact O-N 3.09Å; E772-R774 VanDerWaalsContact C-N 3.34Å; E772-R774 PolarHBondContact O-N 3.29Å; R774-M777 PolarHBondContact O-N 2.98Å; R774-A778 WeakPolarHBondContact O-CB 3.28Å; R774-A778 PolarHBondContact O-N 2.94Å
775	R	85.4	Confident	84.9	Confident	155 Å²	155	70.1 Å²	70.1	59%	0.585	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-42.1	177	-74.8	-179.1	-166.1	124	-0.8	111.8	A771 E772 H773 M777 A778 W779	A771-R775 WeakPolarHBondContact O-CG 3.47Å; A771-R775 PolarHBondContact O-N 3.4Å; E772-R775 PolarHBondContact O-N 3.01Å; E772-R775 VanDerWaalsContact O-N 3.15Å; H773-R775 PolarHBondContact O-N 3.04Å; R775-M777 VanDerWaalsContact C-N 3.31Å; R775-M777 PolarHBondContact O-N 3.24Å; R775-A778 PolarHBondContact O-N 3.45Å; R775-W779 WeakPolarHBondContact O-CB 3.38Å; R775-W779 PolarHBondContact O-N 2.94Å
776	A	87.6	Confident	84.5	Confident	53 Å²	53	65.6 Å²	65.6	44%	0.438	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-44.7	176	0	0	0	0	0	110.8	E772 H773 W779 T780	E772-A776 PolarHBondContact O-N 2.82Å; H773-A776 PolarHBondContact O-N 2.84Å; A776-W779 WeakPolarHBondContact O-CB 3.43Å; A776-W779 PolarHBondContact O-N 2.85Å; A776-T780 WeakPolarHBondContact O-CG2 3.47Å; A776-T780 PolarHBondContact O-N 3.45Å
777	M	88.9	Confident	83.9	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-70.1	-37.3	176.3	-78.7	-163.3	-67	0	0	113.8	F746 Y749 V750 A754 I761 H773 R774 R775 W779 T780 F781	F746-M777 HydrophobicContact CE2-CB 4.22Å; F746-M777 HydrophobicContact CZ-CB 4.45Å; Y749-M777 WeakPolarHBondContact CE1-O 3.3Å; V750-M777 HydrophobicContact CB-CE 4.35Å; V750-M777 HydrophobicContact CB-SD 4.49Å; V750-M777 HydrophobicContact CG1-CE 3.67Å; V750-M777 HydrophobicContact CG1-SD 4.2Å; V750-M777 HydrophobicContact CG2-CB 4.24Å; V750-M777 HydrophobicContact CG2-CE 3.93Å; V750-M777 HydrophobicContact CG2-SD 4.13Å; A754-M777 HydrophobicContact CB-CE 4.29Å; A754-M777 HydrophobicContact CB-SD 3.88Å; I761-M777 HydrophobicContact CB-CE 3.88Å; I761-M777 HydrophobicContact CD1-CE 3.28Å; I761-M777 HydrophobicContact CG1-CE 4.01Å; I761-M777 HydrophobicContact CG2-CE 3.09Å; H773-M777 PolarHBondContact O-N 3.37Å; R774-M777 PolarHBondContact O-N 2.98Å; R775-M777 VanDerWaalsContact C-N 3.31Å; R775-M777 PolarHBondContact O-N 3.24Å; M777-W779 PolarHBondContact O-N 3.31Å; M777-T780 VanDerWaalsContact CA-OG1 3.3Å; M777-T780 WeakPolarHBondContact CA-OG1 3.41Å; M777-T780 PolarHBondContact O-N 3.48Å; M777-T780 PolarHBondContact O-OG1 2.93Å; M777-F781 WeakPolarHBondContact O-CB 3.44Å; M777-F781 PolarHBondContact O-N 3.36Å
778	A	86	Confident	83.4	Confident	11 Å²	11	65.8 Å²	65.8	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-38.5	173.1	0	0	0	0	0	110.8	V501 I503 F746 R774 R775 F781 V782	V501-A778 HydrophobicContact CG1-CB 4.1Å; I503-A778 HydrophobicContact CD1-CB 4.03Å; F746-A778 HydrophobicContact CE1-CB 4.35Å; F746-A778 HydrophobicContact CE2-CB 3.82Å; F746-A778 VanDerWaalsContact CE2-N 3.34Å; F746-A778 HydrophobicContact CZ-CB 3.73Å; R774-A778 WeakPolarHBondContact O-CB 3.28Å; R774-A778 PolarHBondContact O-N 2.94Å; R775-A778 PolarHBondContact O-N 3.45Å; A778-F781 WeakPolarHBondContact O-CB 3.28Å; A778-F781 PolarHBondContact O-N 3.16Å; A778-V782 VanDerWaalsContact O-CG2 3.32Å; A778-V782 WeakPolarHBondContact O-CG2 3.28Å; A778-V782 PolarHBondContact O-N 3.34Å
779	W	83.8	Confident	82.5	Confident	165 Å²	165	63.6 Å²	63.6	63%	0.625	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-46.3	175	-163.7	82.2	0	0	0	111.7	R775 A776 M777 F781 V782 Q783	R775-W779 WeakPolarHBondContact O-CB 3.38Å; R775-W779 PolarHBondContact O-N 2.94Å; A776-W779 WeakPolarHBondContact O-CB 3.43Å; A776-W779 PolarHBondContact O-N 2.85Å; M777-W779 PolarHBondContact O-N 3.31Å; W779-F781 VanDerWaalsContact C-N 3.3Å; W779-F781 PolarHBondContact O-N 3.11Å; W779-V782 PolarHBondContact O-N 2.88Å; W779-Q783 WeakPolarHBondContact O-CB 3.16Å; W779-Q783 PolarHBondContact O-N 3.12Å
780	T	86.8	Confident	81.5	Confident	34 Å²	34	59.2 Å²	59.2	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-34.4	174.8	58.5	0	0	0	0	112.6	Y749 A776 M777 Q783 E784	Y749-T780 WeakPolarHBondContact CE1-OG1 3.41Å; Y749-T780 WeakPolarHBondContact OH-CB 3.4Å; Y749-T780 PolarHBondContact OH-O 2.88Å; Y749-T780 VanDerWaalsContact OH-O 3.05Å; Y749-T780 PolarHBondContact OH-OG1 3.37Å; A776-T780 WeakPolarHBondContact O-CG2 3.47Å; A776-T780 PolarHBondContact O-N 3.45Å; M777-T780 VanDerWaalsContact CA-OG1 3.3Å; M777-T780 WeakPolarHBondContact CA-OG1 3.41Å; M777-T780 PolarHBondContact O-N 3.48Å; M777-T780 PolarHBondContact O-OG1 2.93Å; T780-Q783 PolarHBondContact O-N 3.48Å; T780-E784 WeakPolarHBondContact O-CB 2.96Å; T780-E784 WeakPolarHBondContact O-CG 3.29Å; T780-E784 PolarHBondContact O-N 3.38Å
781	F	87.7	Confident	80.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-47	175.4	170.1	-98.4	0	0	0	111.1	I503 L742 Q745 F746 Y749 M777 A778 W779 Q783 E784 Q785 V786	I503-F781 HydrophobicContact CD1-CD1 3.37Å; I503-F781 HydrophobicContact CD1-CE1 3.83Å; I503-F781 HydrophobicContact CD1-CG 4.27Å; I503-F781 HydrophobicContact CG2-CD1 4.29Å; I503-F781 HydrophobicContact CG2-CE1 4.03Å; L742-F781 HydrophobicContact CB-CE1 4Å; L742-F781 HydrophobicContact CB-CZ 4.09Å; L742-F781 HydrophobicContact CD1-CE1 4.17Å; L742-F781 HydrophobicContact CD1-CZ 4.47Å; Q745-F781 HydrophobicContact CB-CE2 3.95Å; Q745-F781 HydrophobicContact CB-CZ 3.74Å; F746-F781 HydrophobicContact CB-CD1 4.32Å; F746-F781 HydrophobicContact CB-CE1 4.3Å; F746-F781 HydrophobicContact CB-CG 4.44Å; F746-F781 HydrophobicContact CB-CZ 4.41Å; F746-F781 HydrophobicContact CD2-CB 3.77Å; F746-F781 HydrophobicContact CD2-CD1 4.21Å; F746-F781 HydrophobicContact CD2-CD2 4.36Å; F746-F781 AromaticContact CD2-CG 3.85Å; F746-F781 HydrophobicContact CD2-CG 3.85Å; F746-F781 HydrophobicContact CE2-CB 4.23Å; Y749-F781 HydrophobicContact CD1-CB 3.66Å; Y749-F781 HydrophobicContact CD1-CD2 4.04Å; Y749-F781 HydrophobicContact CD1-CG 4.31Å; Y749-F781 HydrophobicContact CD2-CB 4.46Å; Y749-F781 AromaticContact CD2-CD2 3.78Å; Y749-F781 HydrophobicContact CD2-CD2 3.78Å; Y749-F781 HydrophobicContact CE1-CB 3.64Å; Y749-F781 HydrophobicContact CE2-CB 4.43Å; Y749-F781 HydrophobicContact CE2-CD2 4.38Å; Y749-F781 HydrophobicContact CG-CB 4.05Å; Y749-F781 AromaticContact CG-CD2 3.53Å; Y749-F781 HydrophobicContact CG-CD2 3.53Å; Y749-F781 HydrophobicContact CG-CE2 4.48Å; Y749-F781 HydrophobicContact CG-CG 4.25Å; Y749-F781 PolarHBondContact OH-N 2.76Å; M777-F781 WeakPolarHBondContact O-CB 3.44Å; M777-F781 PolarHBondContact O-N 3.36Å; A778-F781 WeakPolarHBondContact O-CB 3.28Å; A778-F781 PolarHBondContact O-N 3.16Å; W779-F781 VanDerWaalsContact C-N 3.3Å; W779-F781 PolarHBondContact O-N 3.11Å; F781-Q783 VanDerWaalsContact C-N 3.31Å; F781-Q783 PolarHBondContact O-N 3.28Å; F781-E784 PolarHBondContact O-N 2.99Å; F781-Q785 HydrophobicContact CD2-CB 4.2Å; F781-Q785 HydrophobicContact CD2-CG 4.04Å; F781-Q785 HydrophobicContact CE2-CB 3.96Å; F781-Q785 HydrophobicContact CE2-CG 3.98Å; F781-Q785 HydrophobicContact CZ-CB 4.31Å; F781-Q785 WeakPolarHBondContact O-CB 3.45Å; F781-Q785 PolarHBondContact O-N 3.04Å; F781-V786 HydrophobicContact CE1-CG2 4.06Å
782	V	81.6	Confident	79.5	Confident	27 Å²	27	63.5 Å²	63.5	16%	0.164	32%	0.322	C	S	.	.	I	π-helix	trans	-60.3	-45.3	174.9	171.7	0	0	0	0	109.6	I503 A778 W779 E784 V786 Q787	I503-V782 HydrophobicContact CG2-CG2 4.04Å; A778-V782 VanDerWaalsContact O-CG2 3.32Å; A778-V782 WeakPolarHBondContact O-CG2 3.28Å; A778-V782 PolarHBondContact O-N 3.34Å; W779-V782 PolarHBondContact O-N 2.88Å; V782-E784 VanDerWaalsContact C-N 3.29Å; V782-E784 PolarHBondContact O-N 2.88Å; V782-V786 HydrophobicContact CG1-CB 4.28Å; V782-V786 CarbonylContact O-C 3.58Å; V782-V786 WeakPolarHBondContact O-CB 3.5Å; V782-V786 PolarHBondContact O-N 3.41Å; V782-V786 VanDerWaalsContact O-N 3.14Å; V782-Q787 VanDerWaalsContact O-CB 3.27Å; V782-Q787 WeakPolarHBondContact O-CB 3.46Å; V782-Q787 PolarHBondContact O-N 3.46Å
783	Q	80.2	Confident	78.4	Confident	87 Å²	87	59.6 Å²	59.6	41%	0.407	31%	0.313	S	S	.	.	I	π-helix	trans	-63.7	-30.6	-179.8	-169.5	176.4	22	0	0	114	W779 T780 F781 Q787 P788	W779-Q783 WeakPolarHBondContact O-CB 3.16Å; W779-Q783 PolarHBondContact O-N 3.12Å; T780-Q783 PolarHBondContact O-N 3.48Å; F781-Q783 VanDerWaalsContact C-N 3.31Å; F781-Q783 PolarHBondContact O-N 3.28Å; Q783-Q787 WeakPolarHBondContact O-CB 3.31Å; Q783-P788 WeakPolarHBondContact O-CD 3.41Å
784	E	82	Confident	77	Confident	83 Å²	83	60.4 Å²	60.4	39%	0.388	31%	0.313	S	S	.	.	I	π-helix	trans	-103.6	-27.6	-173.6	-71.7	174.9	-172.8	0	0	115.2	Y749 R753 T780 F781 V782 P788	Y749-E784 HydrophobicContact CE2-CB 4.48Å; Y749-E784 WeakPolarHBondContact CE2-OE2 3.19Å; Y749-E784 PolarHBondContact OH-OE2 3.27Å; R753-E784 IonicContact CZ-OE1 2.86Å; R753-E784 IonicContact CZ-OE2 2.65Å; R753-E784 IonicContact NE-OE2 2.91Å; R753-E784 PolarHBondContact NE-OE2 2.88Å; R753-E784 IonicContact NH1-OE1 3.32Å; R753-E784 PolarHBondContact NH1-OE1 3.33Å; R753-E784 IonicContact NH1-OE2 2.66Å; R753-E784 PolarHBondContact NH1-OE2 3.33Å; R753-E784 IonicContact NH2-OE1 2.83Å; R753-E784 PolarHBondContact NH2-OE1 2.71Å; R753-E784 IonicContact NH2-OE2 3Å; R753-E784 PolarHBondContact NH2-OE2 3.47Å; T780-E784 WeakPolarHBondContact O-CB 2.96Å; T780-E784 WeakPolarHBondContact O-CG 3.29Å; T780-E784 PolarHBondContact O-N 3.38Å; F781-E784 PolarHBondContact O-N 2.99Å; V782-E784 VanDerWaalsContact C-N 3.29Å; V782-E784 PolarHBondContact O-N 2.88Å; E784-P788 VanDerWaalsContact O-CG 3.32Å; E784-P788 WeakPolarHBondContact O-CG 3.49Å
785	Q	76.1	Confident	75.6	Confident	97 Å²	97	66.9 Å²	66.9	45%	0.453	34%	0.337	S	S	.	.	I	π-helix	trans	-111.5	-36.4	-176.8	-63.3	-151.9	2.1	0	0	112.9	F781	F781-Q785 HydrophobicContact CD2-CB 4.2Å; F781-Q785 HydrophobicContact CD2-CG 4.04Å; F781-Q785 HydrophobicContact CE2-CB 3.96Å; F781-Q785 HydrophobicContact CE2-CG 3.98Å; F781-Q785 HydrophobicContact CZ-CB 4.31Å; F781-Q785 WeakPolarHBondContact O-CB 3.45Å; F781-Q785 PolarHBondContact O-N 3.04Å
786	V	72.2	Confident	74.3	Confident	17 Å²	17	66.6 Å²	66.6	10%	0.103	34%	0.342	C	S	.	.	I	π-helix	trans	-91.5	-47.9	-177.5	-175.6	0	0	0	0	110.5	A505 L742 F781 V782 G789 V790	A505-V786 HydrophobicContact CB-CG1 4.2Å; L742-V786 HydrophobicContact CD1-CG2 3.57Å; F781-V786 HydrophobicContact CE1-CG2 4.06Å; V782-V786 HydrophobicContact CG1-CB 4.28Å; V782-V786 CarbonylContact O-C 3.58Å; V782-V786 WeakPolarHBondContact O-CB 3.5Å; V782-V786 PolarHBondContact O-N 3.41Å; V782-V786 VanDerWaalsContact O-N 3.14Å; V786-G789 PolarHBondContact O-N 3.37Å; V786-G789 VanDerWaalsContact O-N 3.09Å; V786-V790 HydrophobicContact CG1-CG2 4.24Å; V786-V790 WeakPolarHBondContact O-CG2 3.39Å; V786-V790 PolarHBondContact O-N 3.45Å
787	Q	70.4	Confident	72.7	Confident	78 Å²	78	67.3 Å²	67.3	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-39.6	-174	-176.2	164.8	4.1	0	0	113	V782 Q783 G789 V790 D791	V782-Q787 VanDerWaalsContact O-CB 3.27Å; V782-Q787 WeakPolarHBondContact O-CB 3.46Å; V782-Q787 PolarHBondContact O-N 3.46Å; Q783-Q787 WeakPolarHBondContact O-CB 3.31Å; Q787-G789 VanDerWaalsContact C-N 3.27Å; Q787-G789 PolarHBondContact O-N 3.24Å; Q787-V790 PolarHBondContact O-N 3.42Å; Q787-D791 VanDerWaalsContact CG-OD2 3.32Å; Q787-D791 WeakPolarHBondContact CG-OD2 3.48Å; Q787-D791 WeakPolarHBondContact O-CB 3.31Å; Q787-D791 PolarHBondContact O-N 2.67Å
788	P	73.9	Confident	70.9	Confident	50 Å²	50	73.8 Å²	73.8	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-32.1	174.8	-23.7	36.4	0	0	0	113.1	Q783 E784 N792	Q783-P788 WeakPolarHBondContact O-CD 3.41Å; E784-P788 VanDerWaalsContact O-CG 3.32Å; E784-P788 WeakPolarHBondContact O-CG 3.49Å; P788-N792 WeakPolarHBondContact O-CA 3.4Å; P788-N792 WeakPolarHBondContact O-CB 3.41Å; P788-N792 PolarHBondContact O-N 3.04Å; P788-N792 PolarHBondContact O-ND2 3Å; P788-N792 PolarHBondContact O-OD1 3.21Å
789	G	68.5	Low	69.3	Low	43 Å²	43	75 Å²	75	44%	0.443	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-45	174.5	0	0	0	0	0	111.6	V786 Q787 N792 A793	V786-G789 PolarHBondContact O-N 3.37Å; V786-G789 VanDerWaalsContact O-N 3.09Å; Q787-G789 VanDerWaalsContact C-N 3.27Å; Q787-G789 PolarHBondContact O-N 3.24Å; G789-N792 PolarHBondContact O-N 3.2Å; G789-A793 VanDerWaalsContact O-CB 3.31Å; G789-A793 WeakPolarHBondContact O-CB 3.29Å; G789-A793 PolarHBondContact O-N 2.87Å
790	V	65.2	Low	68	Low	49 Å²	49	72 Å²	72	30%	0.297	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175.6	178.9	0	0	0	0	111.2	I509 V786 Q787 W794	I509-V790 HydrophobicContact CD1-CG2 4.49Å; I509-V790 HydrophobicContact CG1-CG2 4.1Å; V786-V790 HydrophobicContact CG1-CG2 4.24Å; V786-V790 WeakPolarHBondContact O-CG2 3.39Å; V786-V790 PolarHBondContact O-N 3.45Å; Q787-V790 PolarHBondContact O-N 3.42Å; V790-W794 WeakPolarHBondContact O-CB 3.45Å; V790-W794 PolarHBondContact O-N 3.15Å
791	D	66	Low	66.3	Low	60 Å²	60	74.2 Å²	74.2	32%	0.321	39%	0.388	S	S	.	.	H	α-helix	trans	-71.9	-30.3	179.3	-70.7	-9.3	0	0	0	112.2	Q787 R795	Q787-D791 VanDerWaalsContact CG-OD2 3.32Å; Q787-D791 WeakPolarHBondContact CG-OD2 3.48Å; Q787-D791 WeakPolarHBondContact O-CB 3.31Å; Q787-D791 PolarHBondContact O-N 2.67Å; D791-R795 WeakPolarHBondContact O-CB 3.46Å; D791-R795 WeakPolarHBondContact O-CG 3.2Å; D791-R795 PolarHBondContact O-N 2.95Å; D791-R795 PolarHBondContact O-NE 3.02Å
792	N	64.5	Low	64.4	Low	80 Å²	80	76 Å²	76	43%	0.428	41%	0.406	S	S	.	.	H	α-helix	trans	-73.4	-49	172.3	-76.4	-12.7	0	0	0	110.5	P788 G789 W794 R795 E796	P788-N792 WeakPolarHBondContact O-CA 3.4Å; P788-N792 WeakPolarHBondContact O-CB 3.41Å; P788-N792 PolarHBondContact O-N 3.04Å; P788-N792 PolarHBondContact O-ND2 3Å; P788-N792 PolarHBondContact O-OD1 3.21Å; G789-N792 PolarHBondContact O-N 3.2Å; N792-W794 PolarHBondContact O-N 3.39Å; N792-R795 CarbonylContact O-C 3.6Å; N792-R795 PolarHBondContact O-N 3.11Å; N792-R795 VanDerWaalsContact O-N 3.1Å; N792-R795 PolarHBondContact OD1-NH2 3.4Å; N792-E796 WeakPolarHBondContact O-CB 3.5Å; N792-E796 PolarHBondContact O-N 3.2Å
793	A	62.7	Low	62.8	Low	52 Å²	52	82.4 Å²	82.4	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-58.1	-41.7	173.9	0	0	0	0	0	110.5	G789 S797	G789-A793 VanDerWaalsContact O-CB 3.31Å; G789-A793 WeakPolarHBondContact O-CB 3.29Å; G789-A793 PolarHBondContact O-N 2.87Å; A793-S797 VanDerWaalsContact O-CB 3.23Å; A793-S797 WeakPolarHBondContact O-CB 3.21Å; A793-S797 PolarHBondContact O-N 2.86Å; A793-S797 PolarHBondContact O-OG 3.18Å
794	W	57.7	Low	61.5	Low	102 Å²	102	82.2 Å²	82.2	39%	0.386	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-39	174	-179.3	88.7	0	0	0	112.8	V790 N792 R798	V790-W794 WeakPolarHBondContact O-CB 3.45Å; V790-W794 PolarHBondContact O-N 3.15Å; N792-W794 PolarHBondContact O-N 3.39Å; W794-R798 WeakPolarHBondContact O-CA 3.41Å; W794-R798 WeakPolarHBondContact O-CB 3.29Å; W794-R798 PolarHBondContact O-N 2.76Å
795	R	59.7	Low	59.6	Low	148 Å²	148	83.4 Å²	83.4	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-71.2	-34.7	175.3	-96.7	-176.3	-64.4	-174.9	-2.1	113.2	D791 N792 R798 G799	D791-R795 WeakPolarHBondContact O-CB 3.46Å; D791-R795 WeakPolarHBondContact O-CG 3.2Å; D791-R795 PolarHBondContact O-N 2.95Å; D791-R795 PolarHBondContact O-NE 3.02Å; N792-R795 CarbonylContact O-C 3.6Å; N792-R795 PolarHBondContact O-N 3.11Å; N792-R795 VanDerWaalsContact O-N 3.1Å; N792-R795 PolarHBondContact OD1-NH2 3.4Å; R795-R798 CarbonylContact O-C 3.51Å; R795-R798 PolarHBondContact O-N 3.25Å; R795-G799 WeakPolarHBondContact O-CA 3.35Å; R795-G799 PolarHBondContact O-N 3.29Å
796	E	58.5	Low	58.2	Low	149 Å²	149	87.7 Å²	87.7	70%	0.696	48%	0.479	S	S	*	.	H	α-helix	trans	-72.1	-46.9	178.6	-163.7	166.3	-150.7	0	0	108.8	N792 R798 G799 D800	N792-E796 WeakPolarHBondContact O-CB 3.5Å; N792-E796 PolarHBondContact O-N 3.2Å; E796-R798 PolarHBondContact O-N 2.92Å; E796-G799 PolarHBondContact O-N 3.09Å; E796-D800 PolarHBondContact O-N 2.86Å
797	S	55	Low	56.9	Low	68 Å²	68	92 Å²	92	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-60.4	-43.3	167.2	-70.2	0	0	0	0	111.9	A793 G799 D800 I801	A793-S797 VanDerWaalsContact O-CB 3.23Å; A793-S797 WeakPolarHBondContact O-CB 3.21Å; A793-S797 PolarHBondContact O-N 2.86Å; A793-S797 PolarHBondContact O-OG 3.18Å; S797-G799 VanDerWaalsContact C-N 3.28Å; S797-G799 PolarHBondContact O-N 2.93Å; S797-D800 PolarHBondContact O-N 3.21Å; S797-I801 VanDerWaalsContact O-CB 3.25Å; S797-I801 WeakPolarHBondContact O-CB 3.4Å; S797-I801 VanDerWaalsContact O-CD1 3.27Å; S797-I801 WeakPolarHBondContact O-CD1 3.08Å; S797-I801 WeakPolarHBondContact O-CG1 3.22Å; S797-I801 PolarHBondContact O-N 3.26Å
798	R	51	Low	55.9	Low	150 Å²	150	93.2 Å²	93.2	57%	0.566	52%	0.523	S	S	*	.	H	α-helix	trans	-66.4	-31.3	176.6	-175.2	176.5	174	152.4	-0.5	112.1	W794 R795 E796 D800 G802	W794-R798 WeakPolarHBondContact O-CA 3.41Å; W794-R798 WeakPolarHBondContact O-CB 3.29Å; W794-R798 PolarHBondContact O-N 2.76Å; R795-R798 CarbonylContact O-C 3.51Å; R795-R798 PolarHBondContact O-N 3.25Å; E796-R798 PolarHBondContact O-N 2.92Å; R798-D800 VanDerWaalsContact C-N 3.34Å; R798-G802 PolarHBondContact O-N 3.4Å
799	G	52	Low	54.4	Low	37 Å²	37	96.2 Å²	96.2	38%	0.381	54%	0.543	S	S	.	.	H	α-helix	trans	-71.8	-28	175.9	0	0	0	0	0	112.5	R795 E796 S797 K803	R795-G799 WeakPolarHBondContact O-CA 3.35Å; R795-G799 PolarHBondContact O-N 3.29Å; E796-G799 PolarHBondContact O-N 3.09Å; S797-G799 VanDerWaalsContact C-N 3.28Å; S797-G799 PolarHBondContact O-N 2.93Å; G799-K803 WeakPolarHBondContact O-CG 3.16Å
800	D	55.5	Low	53.3	Low	102 Å²	102	99.7 Å²	99.7	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-88	-36	170	-90.7	-5.3	0	0	0	112.8	E796 S797 R798 G802 K803	E796-D800 PolarHBondContact O-N 2.86Å; S797-D800 PolarHBondContact O-N 3.21Å; R798-D800 VanDerWaalsContact C-N 3.34Å; D800-G802 PolarHBondContact O-N 2.83Å; D800-K803 PolarHBondContact O-N 2.78Å; D800-K803 WeakPolarHBondContact OD1-CD 3.25Å; D800-K803 WeakPolarHBondContact OD1-CE 3.23Å; D800-K803 IonicContact OD1-NZ 2.79Å; D800-K803 PolarHBondContact OD1-NZ 3.45Å
801	I	51.6	Low	52.3	Low	80 Å²	80	101.5 Å²	101.5	41%	0.41	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-28.8	174.5	-66.8	161.3	0	0	0	110.6	S797	S797-I801 VanDerWaalsContact O-CB 3.25Å; S797-I801 WeakPolarHBondContact O-CB 3.4Å; S797-I801 VanDerWaalsContact O-CD1 3.27Å; S797-I801 WeakPolarHBondContact O-CD1 3.08Å; S797-I801 WeakPolarHBondContact O-CG1 3.22Å; S797-I801 PolarHBondContact O-N 3.26Å
802	G	49.1	Very low	51.2	Low	37 Å²	37	100.5 Å²	100.5	38%	0.381	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-8.6	175.9	0	0	0	0	0	115.4	R798 D800 G804 M805	R798-G802 PolarHBondContact O-N 3.4Å; D800-G802 PolarHBondContact O-N 2.83Å; G802-G804 VanDerWaalsContact C-N 3.26Å; G802-G804 PolarHBondContact O-N 3.22Å; G802-M805 PolarHBondContact O-N 3.47Å
803	K	48	Very low	50.4	Low	162 Å²	162	99.1 Å²	99.1	70%	0.704	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	82.1	175.6	-81.9	171.7	-167.1	164	0	109.5	G799 D800	G799-K803 WeakPolarHBondContact O-CG 3.16Å; D800-K803 PolarHBondContact O-N 2.78Å; D800-K803 WeakPolarHBondContact OD1-CD 3.25Å; D800-K803 WeakPolarHBondContact OD1-CE 3.23Å; D800-K803 IonicContact OD1-NZ 2.79Å; D800-K803 PolarHBondContact OD1-NZ 3.45Å
804	G	51.7	Low	50	Low	82 Å²	82	101.1 Å²	101.1	85%	0.845	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.3	-10	-177.8	0	0	0	0	0	113.8	G802	G802-G804 VanDerWaalsContact C-N 3.26Å; G802-G804 PolarHBondContact O-N 3.22Å
805	M	43.2	Very low	49.9	Very low	108 Å²	108	104.2 Å²	104.2	53%	0.532	63%	0.627	S	S	.	*			trans	-112.2	113.5	178.7	-67.2	179	69	0	0	110.3	T716 G802	T716-M805 HydrophobicContact CG2-CE 3.67Å; T716-M805 HydrophobicContact CG2-SD 4.09Å; G802-M805 PolarHBondContact O-N 3.47Å
806	E	44.9	Very low	49.9	Very low	187 Å²	187	102.4 Å²	102.4	87%	0.874	63%	0.628	S	S	*	*			trans	-61.2	136.7	174.8	-150.1	170.2	-162.1	0	0	110.1	V808	E806-V808 PolarHBondContact O-N 2.85Å; E806-V808 VanDerWaalsContact O-N 3.09Å
807	S	46.9	Very low	49.8	Very low	108 Å²	108	101 Å²	101	76%	0.755	62%	0.624	S	S	*	*			trans	-62.2	112.3	-178	55.1	0	0	0	0	110.6	P809	S807-P809 VanDerWaalsContact O-CD 3.31Å; S807-P809 WeakPolarHBondContact O-CD 3.44Å
808	V	47.7	Very low	50.4	Low	104 Å²	104	102.2 Å²	102.2	63%	0.63	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-70.7	118.8	168.2	-175.8	0	0	0	0	107.8	E806 S810	E806-V808 PolarHBondContact O-N 2.85Å; E806-V808 VanDerWaalsContact O-N 3.09Å; V808-S810 PolarHBondContact O-N 3.38Å
809	P	42.6	Very low	51.2	Low	113 Å²	113	97.7 Å²	97.7	73%	0.734	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-61.4	128.1	175.7	-17.4	30.3	0	0	0	109.4	S807 G811	S807-P809 VanDerWaalsContact O-CD 3.31Å; S807-P809 WeakPolarHBondContact O-CD 3.44Å; P809-G811 PolarHBondContact O-N 3.42Å
810	S	46.3	Very low	52	Low	116 Å²	116	100.6 Å²	100.6	81%	0.811	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-59.1	123.4	169.4	60.5	0	0	0	0	108.4	V808 G812	V808-S810 PolarHBondContact O-N 3.38Å; S810-G812 PolarHBondContact O-N 2.84Å
811	G	43.2	Very low	52.4	Low	86 Å²	86	101.3 Å²	101.3	89%	0.887	63%	0.626	S	S	*	*			trans	-52	101.3	-176.3	0	0	0	0	0	113.2	P809	P809-G811 PolarHBondContact O-N 3.42Å
812	G	43.7	Very low	53.4	Low	40 Å²	40	104.1 Å²	104.1	41%	0.412	64%	0.637	S	S	.	*			trans	-87.1	139.6	156.3	0	0	0	0	0	108.4	S810	S810-G812 PolarHBondContact O-N 2.84Å
813	G	47.6	Very low	54.6	Low	50 Å²	50	105.1 Å²	105.1	52%	0.515	65%	0.648	S	S	.	*			trans	-59	163	-173.8	0	0	0	0	0	113.3	Q815 D816	G813-Q815 PolarHBondContact O-N 3.25Å; G813-D816 PolarHBondContact O-N 3.36Å
814	S	53.7	Low	55.8	Low	95 Å²	95	101.3 Å²	101.3	66%	0.664	63%	0.632	S	S	*	*	H	α-helix	trans	-44.3	-19	178.8	169.6	0	0	0	0	116
815	Q	55.9	Low	56.6	Low	167 Å²	167	102.3 Å²	102.3	78%	0.78	62%	0.615	S	S	*	*	H	α-helix	trans	-81	-32.7	-178.5	-137.8	155.3	-8.6	0	0	112.9	G813 A819	G813-Q815 PolarHBondContact O-N 3.25Å; Q815-A819 PolarHBondContact O-N 3.35Å
816	D	59.4	Low	58	Low	109 Å²	109	100.7 Å²	100.7	58%	0.583	62%	0.619	S	S	*	*	H	α-helix	trans	-72.1	-33.2	178.6	-74.2	-31.1	0	0	0	111.8	G813 A819 D820	G813-D816 PolarHBondContact O-N 3.36Å; D816-A819 PolarHBondContact O-N 3.49Å; D816-D820 WeakPolarHBondContact O-CB 3.37Å; D816-D820 PolarHBondContact O-N 2.84Å
817	I	57.6	Low	59.6	Low	119 Å²	119	95.6 Å²	95.6	61%	0.61	60%	0.596	S	S	*	*	H	α-helix	trans	-67.8	-38.2	179	-59.6	176.2	0	0	0	111.5	H821	I817-H821 PolarHBondContact O-N 3.22Å
818	I	66.5	Low	60.5	Low	94 Å²	94	94.8 Å²	94.8	48%	0.482	58%	0.582	S	S	.	*	H	α-helix	trans	-71.2	-38.8	178	-63.7	171.2	0	0	0	110.5	Q822	I818-Q822 WeakPolarHBondContact O-CG 3.34Å; I818-Q822 PolarHBondContact O-N 3.26Å; I818-Q822 VanDerWaalsContact O-N 3.14Å
819	A	68.9	Low	61.4	Low	55 Å²	55	95.2 Å²	95.2	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-40.5	177.3	0	0	0	0	0	112.3	Q815 D816 Q822 G823	Q815-A819 PolarHBondContact O-N 3.35Å; D816-A819 PolarHBondContact O-N 3.49Å; A819-Q822 PolarHBondContact O-N 2.76Å; A819-G823 PolarHBondContact O-N 3.37Å
820	D	68.3	Low	62.9	Low	98 Å²	98	95.8 Å²	95.8	52%	0.524	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-43.5	177.8	-171	60.8	0	0	0	112.2	D816 G823 H824	D816-D820 WeakPolarHBondContact O-CB 3.37Å; D816-D820 PolarHBondContact O-N 2.84Å; D820-G823 PolarHBondContact O-N 3.18Å; D820-H824 PolarHBondContact O-N 2.94Å; D820-H824 VanDerWaalsContact O-N 3.1Å; D820-H824 PolarHBondContact O-ND1 3.21Å; D820-H824 IonicContact OD1-CE1 3.06Å; D820-H824 PolarHBondContact OD1-CE1 2.67Å; D820-H824 IonicContact OD1-ND1 3.17Å; D820-H824 PolarHBondContact OD1-ND1 2.96Å; D820-H824 VanDerWaalsContact OD1-ND1 3.17Å; D820-H824 IonicContact OD2-ND1 3.92Å
821	H	63.5	Low	64.1	Low	118 Å²	118	98.7 Å²	98.7	55%	0.546	56%	0.564	S	S	.	*	H	α-helix	trans	-63	-43.6	176.1	-176.6	10.9	0	0	0	112.3	I817 G823 H824 Q825	I817-H821 PolarHBondContact O-N 3.22Å; H821-G823 VanDerWaalsContact C-N 3.33Å; H821-G823 PolarHBondContact O-N 2.99Å; H821-H824 PolarHBondContact O-N 3.38Å; H821-Q825 PolarHBondContact O-N 3.07Å
822	Q	72.5	Confident	64.8	Low	138 Å²	138	98.5 Å²	98.5	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-65	-35.9	176.7	-76	-178.9	-14.6	0	0	112.3	I818 A819 H824	I818-Q822 WeakPolarHBondContact O-CG 3.34Å; I818-Q822 PolarHBondContact O-N 3.26Å; I818-Q822 VanDerWaalsContact O-N 3.14Å; A819-Q822 PolarHBondContact O-N 2.76Å; Q822-H824 VanDerWaalsContact C-N 3.35Å
823	G	73.7	Confident	65.7	Low	59 Å²	59	104.4 Å²	104.4	61%	0.608	56%	0.562	S	S	*	*	H	α-helix	trans	-67.9	-30.6	176.1	0	0	0	0	0	114.1	A819 D820 H821	A819-G823 PolarHBondContact O-N 3.37Å; D820-G823 PolarHBondContact O-N 3.18Å; H821-G823 VanDerWaalsContact C-N 3.33Å; H821-G823 PolarHBondContact O-N 2.99Å
824	H	74.5	Confident	66.9	Low	82 Å²	82	107.9 Å²	107.9	38%	0.38	57%	0.569	S	S	.	*	H	α-helix	trans	-100.5	-1.4	-175.3	-69.6	93.3	0	0	0	115	D820 H821 Q822 A826 I827 I828	D820-H824 PolarHBondContact O-N 2.94Å; D820-H824 VanDerWaalsContact O-N 3.1Å; D820-H824 PolarHBondContact O-ND1 3.21Å; D820-H824 IonicContact OD1-CE1 3.06Å; D820-H824 PolarHBondContact OD1-CE1 2.67Å; D820-H824 IonicContact OD1-ND1 3.17Å; D820-H824 PolarHBondContact OD1-ND1 2.96Å; D820-H824 VanDerWaalsContact OD1-ND1 3.17Å; D820-H824 IonicContact OD2-ND1 3.92Å; H821-H824 PolarHBondContact O-N 3.38Å; Q822-H824 VanDerWaalsContact C-N 3.35Å; H824-A826 VanDerWaalsContact C-N 3.33Å; H824-A826 PolarHBondContact O-N 2.91Å; H824-I827 PolarHBondContact O-N 3.22Å; H824-I828 WeakPolarHBondContact O-CG1 3.35Å; H824-I828 PolarHBondContact O-N 3.31Å; H824-I828 VanDerWaalsContact O-N 3.1Å
825	Q	68.7	Low	67.2	Low	103 Å²	103	107 Å²	107	48%	0.481	56%	0.563	S	S	.	*	H	α-helix	trans	-54.1	-45.1	-176.1	-170.5	171.1	-5.9	0	0	113.1	H821 I827 I828 E829	H821-Q825 PolarHBondContact O-N 3.07Å; Q825-I827 VanDerWaalsContact C-N 3.32Å; Q825-I827 PolarHBondContact O-N 3.45Å; Q825-I828 PolarHBondContact O-N 3.43Å; Q825-E829 PolarHBondContact O-N 2.91Å; Q825-E829 VanDerWaalsContact O-N 3.11Å
826	A	72.5	Confident	67.2	Low	74 Å²	74	106.3 Å²	106.3	61%	0.612	56%	0.564	S	S	*	*	H	α-helix	trans	-64.9	-32.1	179.2	0	0	0	0	0	113.8	H824 Q830	H824-A826 VanDerWaalsContact C-N 3.33Å; H824-A826 PolarHBondContact O-N 2.91Å; A826-Q830 WeakPolarHBondContact O-CB 3.49Å; A826-Q830 PolarHBondContact O-N 3.39Å; A826-Q830 VanDerWaalsContact O-N 3.16Å
827	I	77	Confident	66.8	Low	80 Å²	80	106.9 Å²	106.9	41%	0.41	57%	0.566	S	S	.	*	H	α-helix	trans	-75	-36.3	179	-65.5	169.8	0	0	0	110.5	H824 Q825 R831	H824-I827 PolarHBondContact O-N 3.22Å; Q825-I827 VanDerWaalsContact C-N 3.32Å; Q825-I827 PolarHBondContact O-N 3.45Å; I827-R831 PolarHBondContact O-N 2.79Å; I827-R831 VanDerWaalsContact O-N 3.08Å
828	I	66.6	Low	66.8	Low	90 Å²	90	109.9 Å²	109.9	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-49.6	175.6	-65.1	169.8	0	0	0	109.4	H824 Q825 Q830 R831 T832	H824-I828 WeakPolarHBondContact O-CG1 3.35Å; H824-I828 PolarHBondContact O-N 3.31Å; H824-I828 VanDerWaalsContact O-N 3.1Å; Q825-I828 PolarHBondContact O-N 3.43Å; I828-Q830 VanDerWaalsContact C-N 3.34Å; I828-Q830 PolarHBondContact O-N 3.49Å; I828-R831 PolarHBondContact O-N 2.96Å; I828-T832 PolarHBondContact O-N 3.31Å; I828-T832 PolarHBondContact O-OG1 2.9Å
829	E	67.4	Low	66.4	Low	114 Å²	114	113.4 Å²	113.4	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-60	-41.1	179.1	-124.1	122.4	-157.7	0	0	112.9	Q825 T832 Q833	Q825-E829 PolarHBondContact O-N 2.91Å; Q825-E829 VanDerWaalsContact O-N 3.11Å; E829-T832 PolarHBondContact O-N 3.48Å; E829-Q833 PolarHBondContact O-N 3.38Å
830	Q	73.9	Confident	66	Low	124 Å²	124	114.9 Å²	114.9	58%	0.579	59%	0.59	S	S	*	*	H	α-helix	trans	-65.2	-44.1	177.4	-172	175.9	-8.7	0	0	112	A826 I828 T832 Q833 D834	A826-Q830 WeakPolarHBondContact O-CB 3.49Å; A826-Q830 PolarHBondContact O-N 3.39Å; A826-Q830 VanDerWaalsContact O-N 3.16Å; I828-Q830 VanDerWaalsContact C-N 3.34Å; I828-Q830 PolarHBondContact O-N 3.49Å; Q830-T832 VanDerWaalsContact C-N 3.29Å; Q830-T832 PolarHBondContact O-N 3.43Å; Q830-Q833 PolarHBondContact O-N 3.48Å; Q830-D834 PolarHBondContact O-N 2.84Å
831	R	70.9	Confident	65.5	Low	177 Å²	177	114.1 Å²	114.1	67%	0.668	59%	0.589	S	S	*	*	H	α-helix	trans	-64.3	-33.5	176	-75.9	-165.8	-153.9	-169.4	8.3	112.6	I827 I828 D834 S835	I827-R831 PolarHBondContact O-N 2.79Å; I827-R831 VanDerWaalsContact O-N 3.08Å; I828-R831 PolarHBondContact O-N 2.96Å; R831-D834 PolarHBondContact O-N 3.36Å; R831-S835 WeakPolarHBondContact O-CB 3.31Å; R831-S835 PolarHBondContact O-N 2.95Å; R831-S835 PolarHBondContact O-OG 3.36Å
832	T	58.6	Low	65.6	Low	82 Å²	82	116.3 Å²	116.3	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-39.5	177	-52.2	0	0	0	0	111.6	I828 E829 Q830	I828-T832 PolarHBondContact O-N 3.31Å; I828-T832 PolarHBondContact O-OG1 2.9Å; E829-T832 PolarHBondContact O-N 3.48Å; Q830-T832 VanDerWaalsContact C-N 3.29Å; Q830-T832 PolarHBondContact O-N 3.43Å
833	Q	61.8	Low	65.4	Low	164 Å²	164	116.5 Å²	116.5	77%	0.766	60%	0.597	S	S	*	*	H	α-helix	trans	-70.2	-37.4	175.1	-72.4	-175.6	-3.3	0	0	113	E829 Q830 S835	E829-Q833 PolarHBondContact O-N 3.38Å; Q830-Q833 PolarHBondContact O-N 3.48Å; Q833-S835 PolarHBondContact O-N 2.96Å
834	D	73.7	Confident	65.1	Low	123 Å²	123	119.3 Å²	119.3	66%	0.658	60%	0.595	S	S	*	*	H	α-helix	trans	-72	-15.6	178.6	-74.5	-21.9	0	0	0	113.4	Q830 R831 N836	Q830-D834 PolarHBondContact O-N 2.84Å; R831-D834 PolarHBondContact O-N 3.36Å; D834-N836 VanDerWaalsContact C-N 3.29Å; D834-N836 PolarHBondContact O-N 3.28Å
835	S	58.8	Low	64.8	Low	76 Å²	76	118.8 Å²	118.8	53%	0.531	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	9.8	-173	-64.9	0	0	0	0	115.6	R831 Q833 I837	R831-S835 WeakPolarHBondContact O-CB 3.31Å; R831-S835 PolarHBondContact O-N 2.95Å; R831-S835 PolarHBondContact O-OG 3.36Å; Q833-S835 PolarHBondContact O-N 2.96Å; S835-I837 PolarHBondContact O-N 2.72Å; S835-I837 VanDerWaalsContact O-N 3.11Å
836	N	55.8	Low	64.9	Low	153 Å²	153	118 Å²	118	82%	0.818	60%	0.596	S	S	*	*			trans	54.4	33.9	169	-143.4	10.9	0	0	0	114.8	D834 R838	D834-N836 VanDerWaalsContact C-N 3.29Å; D834-N836 PolarHBondContact O-N 3.28Å; N836-R838 PolarHBondContact O-N 3.41Å
837	I	51.9	Low	65	Low	121 Å²	121	119.9 Å²	119.9	62%	0.621	60%	0.596	S	S	*	*			trans	-74	119.3	-177.4	-56	-179.6	0	0	0	109.1	S835	S835-I837 PolarHBondContact O-N 2.72Å; S835-I837 VanDerWaalsContact O-N 3.11Å
838	R	57.2	Low	64.7	Low	183 Å²	183	120.5 Å²	120.5	69%	0.691	60%	0.598	S	S	*	*			trans	-70.9	135.8	-175.9	-77.1	-174.2	-177	161.7	1.4	112.7	N836 D840 V841	N836-R838 PolarHBondContact O-N 3.41Å; R838-D840 WeakPolarHBondContact CB-OD1 3.35Å; R838-V841 HydrophobicContact CB-CG2 4.41Å
839	N	57.5	Low	64.9	Low	167 Å²	167	119.4 Å²	119.4	89%	0.893	60%	0.596	S	S	*	*	S	Bend	trans	-90.4	-1.4	-178.7	-67.8	-16.4	0	0	0	114.8
840	D	61.5	Low	65.3	Low	87 Å²	87	118.7 Å²	118.7	47%	0.465	60%	0.599	S	S	.	*			trans	-108.2	5	-170.8	67	-31.7	0	0	0	115.4	R838 K842 H843	R838-D840 WeakPolarHBondContact CB-OD1 3.35Å; D840-K842 PolarHBondContact O-N 3.41Å; D840-H843 PolarHBondContact O-N 3.45Å; D840-H843 VanDerWaalsContact O-N 3.11Å
841	V	58.6	Low	65.5	Low	82 Å²	82	118.9 Å²	118.9	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-53.2	-33.8	-175.6	-177.5	0	0	0	0	112.7	R838 H843 Q844 V845	R838-V841 HydrophobicContact CB-CG2 4.41Å; V841-H843 PolarHBondContact O-N 3.23Å; V841-Q844 PolarHBondContact O-N 2.97Å; V841-V845 HydrophobicContact CG1-CG2 4.34Å; V841-V845 WeakPolarHBondContact O-CG2 3.24Å; V841-V845 PolarHBondContact O-N 3.29Å
842	K	65.4	Low	65.7	Low	164 Å²	164	117.6 Å²	117.6	71%	0.713	60%	0.596	S	S	*	*	H	α-helix	trans	-57.3	-45.8	179.3	-177.4	169.8	-178.7	163.1	0	113.2	D840 Q844 V845 D846	D840-K842 PolarHBondContact O-N 3.41Å; K842-Q844 PolarHBondContact O-N 3.41Å; K842-V845 PolarHBondContact O-N 3.1Å; K842-D846 PolarHBondContact O-N 3.28Å
843	H	67.2	Low	66.5	Low	142 Å²	142	122.8 Å²	122.8	66%	0.657	61%	0.606	S	S	*	*	H	α-helix	trans	-71.1	-31.6	-174.7	-115.8	-58.1	0	0	0	112.7	D840 V841 N847	D840-H843 PolarHBondContact O-N 3.45Å; D840-H843 VanDerWaalsContact O-N 3.11Å; V841-H843 PolarHBondContact O-N 3.23Å; H843-N847 PolarHBondContact O-N 3.06Å
844	Q	68.7	Low	67.3	Low	118 Å²	118	116.7 Å²	116.7	55%	0.551	59%	0.588	S	S	*	*	H	α-helix	trans	-69	-41	176	-100.6	-176.4	-15.8	0	0	112.2	V841 K842 N847 M848	V841-Q844 PolarHBondContact O-N 2.97Å; K842-Q844 PolarHBondContact O-N 3.41Å; Q844-N847 PolarHBondContact O-N 3.35Å; Q844-M848 PolarHBondContact O-N 3.39Å
845	V	67.2	Low	67.7	Low	71 Å²	71	114.7 Å²	114.7	43%	0.43	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-41.1	179.3	176	0	0	0	0	110.9	V841 K842 N847 M848 V849	V841-V845 HydrophobicContact CG1-CG2 4.34Å; V841-V845 WeakPolarHBondContact O-CG2 3.24Å; V841-V845 PolarHBondContact O-N 3.29Å; K842-V845 PolarHBondContact O-N 3.1Å; V845-N847 PolarHBondContact O-N 2.88Å; V845-M848 PolarHBondContact O-N 3.25Å; V845-V849 HydrophobicContact CG1-CG2 4.47Å; V845-V849 WeakPolarHBondContact O-CG2 3.37Å; V845-V849 PolarHBondContact O-N 3.09Å; V845-V849 VanDerWaalsContact O-N 3.11Å
846	D	71.3	Confident	68.5	Low	86 Å²	86	116.5 Å²	116.5	46%	0.46	58%	0.58	S	S	.	*	H	α-helix	trans	-60.1	-41.7	177.8	-79.3	-20.3	0	0	0	113.2	K842 T850	K842-D846 PolarHBondContact O-N 3.28Å; D846-T850 PolarHBondContact O-N 2.92Å; D846-T850 PolarHBondContact O-OG1 3.46Å
847	N	73.4	Confident	69.8	Low	113 Å²	113	110.7 Å²	110.7	60%	0.604	56%	0.556	S	S	*	*	H	α-helix	trans	-66.7	-42.6	178.1	-76.3	-17.5	0	0	0	112	H843 Q844 V845 V849 T850 E851	H843-N847 PolarHBondContact O-N 3.06Å; Q844-N847 PolarHBondContact O-N 3.35Å; V845-N847 PolarHBondContact O-N 2.88Å; N847-V849 PolarHBondContact O-N 3.17Å; N847-T850 PolarHBondContact O-N 2.92Å; N847-E851 PolarHBondContact O-N 3.35Å; N847-E851 VanDerWaalsContact O-N 3.13Å
848	M	71.1	Confident	71.3	Confident	94 Å²	94	110.3 Å²	110.3	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-64	-41.2	-178.8	-162.4	-167.1	-36.4	0	0	111.9	Q844 V845 T850 E851 Y852	Q844-M848 PolarHBondContact O-N 3.39Å; V845-M848 PolarHBondContact O-N 3.25Å; M848-T850 VanDerWaalsContact C-N 3.31Å; M848-T850 PolarHBondContact O-N 2.94Å; M848-E851 PolarHBondContact O-N 3.47Å; M848-Y852 HydrophobicContact CG-CD2 4.02Å; M848-Y852 HydrophobicContact CG-CE2 3.71Å; M848-Y852 VanDerWaalsContact O-CD2 3.23Å; M848-Y852 WeakPolarHBondContact O-CD2 3.37Å; M848-Y852 PolarHBondContact O-N 3.5Å; M848-Y852 VanDerWaalsContact O-N 3.14Å; M848-Y852 HydrophobicContact SD-CE2 4.09Å
849	V	70.6	Confident	72.3	Confident	67 Å²	67	105.6 Å²	105.6	41%	0.406	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-38.2	177.1	171.6	0	0	0	0	111.5	V845 N847 R853	V845-V849 HydrophobicContact CG1-CG2 4.47Å; V845-V849 WeakPolarHBondContact O-CG2 3.37Å; V845-V849 PolarHBondContact O-N 3.09Å; V845-V849 VanDerWaalsContact O-N 3.11Å; N847-V849 PolarHBondContact O-N 3.17Å; V849-R853 PolarHBondContact O-N 3.42Å
850	T	76.8	Confident	73.4	Confident	99 Å²	99	102.7 Å²	102.7	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-66.1	-42	178.9	-57.2	0	0	0	0	111.5	D846 N847 M848 R853 G854	D846-T850 PolarHBondContact O-N 2.92Å; D846-T850 PolarHBondContact O-OG1 3.46Å; N847-T850 PolarHBondContact O-N 2.92Å; M848-T850 VanDerWaalsContact C-N 3.31Å; M848-T850 PolarHBondContact O-N 2.94Å; T850-R853 PolarHBondContact O-N 2.87Å; T850-G854 PolarHBondContact O-N 3.46Å
851	E	77.4	Confident	74.4	Confident	128 Å²	128	102.4 Å²	102.4	60%	0.598	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-46.4	177.7	-171.6	179.7	171.9	0	0	112.4	N847 M848 R853 G854 N855	N847-E851 PolarHBondContact O-N 3.35Å; N847-E851 VanDerWaalsContact O-N 3.13Å; M848-E851 PolarHBondContact O-N 3.47Å; E851-R853 VanDerWaalsContact C-N 3.31Å; E851-R853 PolarHBondContact O-N 2.91Å; E851-G854 PolarHBondContact O-N 3.31Å; E851-G854 VanDerWaalsContact O-N 3.16Å; E851-N855 PolarHBondContact O-N 3.01Å; E851-N855 VanDerWaalsContact O-N 3.16Å
852	Y	74.3	Confident	75.6	Confident	149 Å²	149	102.3 Å²	102.3	58%	0.584	54%	0.536	S	S	*	.	H	α-helix	trans	-62.6	-35.5	178.9	-81.8	-61.8	0	0	0	113.2	M848 N855 I856	M848-Y852 HydrophobicContact CG-CD2 4.02Å; M848-Y852 HydrophobicContact CG-CE2 3.71Å; M848-Y852 VanDerWaalsContact O-CD2 3.23Å; M848-Y852 WeakPolarHBondContact O-CD2 3.37Å; M848-Y852 PolarHBondContact O-N 3.5Å; M848-Y852 VanDerWaalsContact O-N 3.14Å; M848-Y852 HydrophobicContact SD-CE2 4.09Å; Y852-N855 PolarHBondContact O-N 2.89Å; Y852-I856 WeakPolarHBondContact O-CG1 3.33Å; Y852-I856 PolarHBondContact O-N 2.75Å
853	R	75.5	Confident	76.3	Confident	191 Å²	191	99.6 Å²	99.6	72%	0.721	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-38.2	175	-79.7	-177.2	176.3	162.1	1.1	112.6	V849 T850 E851 G857	V849-R853 PolarHBondContact O-N 3.42Å; T850-R853 PolarHBondContact O-N 2.87Å; E851-R853 VanDerWaalsContact C-N 3.31Å; E851-R853 PolarHBondContact O-N 2.91Å; R853-G857 PolarHBondContact O-N 2.98Å
854	G	80	Confident	77.1	Confident	37 Å²	37	100.1 Å²	100.1	38%	0.381	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-51.3	175	0	0	0	0	0	112	T850 E851 I856 G857 D858	T850-G854 PolarHBondContact O-N 3.46Å; E851-G854 PolarHBondContact O-N 3.31Å; E851-G854 VanDerWaalsContact O-N 3.16Å; G854-I856 VanDerWaalsContact C-N 3.31Å; G854-I856 PolarHBondContact O-N 3.21Å; G854-G857 PolarHBondContact O-N 2.87Å; G854-G857 VanDerWaalsContact O-N 3.09Å; G854-D858 PolarHBondContact O-N 3.44Å; G854-D858 VanDerWaalsContact O-N 3.11Å
855	N	80.7	Confident	77.8	Confident	81 Å²	81	96.2 Å²	96.2	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-61.2	-35.7	-177.5	-69.8	-22.2	0	0	0	113.4	E851 Y852 T859	E851-N855 PolarHBondContact O-N 3.01Å; E851-N855 VanDerWaalsContact O-N 3.16Å; Y852-N855 PolarHBondContact O-N 2.89Å; N855-T859 WeakPolarHBondContact O-CB 3.47Å; N855-T859 PolarHBondContact O-N 3.33Å; N855-T859 VanDerWaalsContact O-N 3.12Å; N855-T859 PolarHBondContact O-OG1 2.89Å
856	I	76.4	Confident	78.6	Confident	113 Å²	113	98.2 Å²	98.2	58%	0.579	52%	0.52	S	S	*	.	H	α-helix	trans	-66.4	-42.3	176	-68.6	169.2	0	0	0	111	Y852 G854 T859 Q860	Y852-I856 WeakPolarHBondContact O-CG1 3.33Å; Y852-I856 PolarHBondContact O-N 2.75Å; G854-I856 VanDerWaalsContact C-N 3.31Å; G854-I856 PolarHBondContact O-N 3.21Å; I856-T859 PolarHBondContact O-N 2.99Å; I856-Q860 WeakPolarHBondContact O-CB 3.28Å; I856-Q860 PolarHBondContact O-N 3.18Å; I856-Q860 VanDerWaalsContact O-N 3.09Å
857	G	82.8	Confident	79	Confident	31 Å²	31	100.4 Å²	100.4	32%	0.32	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-40.6	178.3	0	0	0	0	0	113.3	R853 G854 S861	R853-G857 PolarHBondContact O-N 2.98Å; G854-G857 PolarHBondContact O-N 2.87Å; G854-G857 VanDerWaalsContact O-N 3.09Å; G857-S861 PolarHBondContact O-N 3.37Å; G857-S861 PolarHBondContact O-OG 3.3Å
858	D	82.9	Confident	79.5	Confident	113 Å²	113	100.4 Å²	100.4	60%	0.604	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-44.5	178	-71	-19.1	0	0	0	111.8	G854 Q860 S861 S862	G854-D858 PolarHBondContact O-N 3.44Å; G854-D858 VanDerWaalsContact O-N 3.11Å; D858-Q860 VanDerWaalsContact C-N 3.34Å; D858-Q860 PolarHBondContact O-N 3.24Å; D858-S861 PolarHBondContact O-N 3.3Å; D858-S862 PolarHBondContact O-N 3.07Å
859	T	79.7	Confident	80.1	Confident	84 Å²	84	100.3 Å²	100.3	52%	0.515	53%	0.528	S	S	.	.	H	α-helix	trans	-60.8	-43.4	177.6	-55.6	0	0	0	0	111.4	N855 I856 S861 S862 I863	N855-T859 WeakPolarHBondContact O-CB 3.47Å; N855-T859 PolarHBondContact O-N 3.33Å; N855-T859 VanDerWaalsContact O-N 3.12Å; N855-T859 PolarHBondContact O-OG1 2.89Å; I856-T859 PolarHBondContact O-N 2.99Å; T859-S861 VanDerWaalsContact C-N 3.28Å; T859-S861 PolarHBondContact O-N 3.45Å; T859-S862 PolarHBondContact O-N 2.91Å; T859-I863 HydrophobicContact CG2-CD1 4.14Å; T859-I863 WeakPolarHBondContact O-CG1 3.26Å; T859-I863 PolarHBondContact O-N 3.44Å; T859-I863 VanDerWaalsContact O-N 3.13Å
860	Q	79.5	Confident	80.6	Confident	107 Å²	107	101.2 Å²	101.2	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-33.8	178.6	-167.6	174.6	8.1	0	0	112.5	I856 D858 R864	I856-Q860 WeakPolarHBondContact O-CB 3.28Å; I856-Q860 PolarHBondContact O-N 3.18Å; I856-Q860 VanDerWaalsContact O-N 3.09Å; D858-Q860 VanDerWaalsContact C-N 3.34Å; D858-Q860 PolarHBondContact O-N 3.24Å; Q860-R864 PolarHBondContact O-N 2.96Å
861	S	82.4	Confident	80.9	Confident	80 Å²	80	105.7 Å²	105.7	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-72	-39.7	177.3	-61	0	0	0	0	112.1	G857 D858 T859 R864 G865	G857-S861 PolarHBondContact O-N 3.37Å; G857-S861 PolarHBondContact O-OG 3.3Å; D858-S861 PolarHBondContact O-N 3.3Å; T859-S861 VanDerWaalsContact C-N 3.28Å; T859-S861 PolarHBondContact O-N 3.45Å; S861-R864 PolarHBondContact O-N 3.28Å; S861-G865 PolarHBondContact O-N 2.85Å
862	S	83.5	Confident	81.3	Confident	80 Å²	80	101.6 Å²	101.6	56%	0.559	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-40.5	176.7	-159.1	0	0	0	0	112.4	D858 T859 R864 G865 E866	D858-S862 PolarHBondContact O-N 3.07Å; T859-S862 PolarHBondContact O-N 2.91Å; S862-R864 PolarHBondContact O-N 2.88Å; S862-G865 PolarHBondContact O-N 3.42Å; S862-G865 VanDerWaalsContact O-N 3.17Å; S862-E866 PolarHBondContact O-N 3.27Å
863	I	81.2	Confident	81.8	Confident	108 Å²	108	100.5 Å²	100.5	55%	0.554	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-43	177.7	-68.4	168.8	0	0	0	111.1	T859 G865 E866 E867	T859-I863 HydrophobicContact CG2-CD1 4.14Å; T859-I863 WeakPolarHBondContact O-CG1 3.26Å; T859-I863 PolarHBondContact O-N 3.44Å; T859-I863 VanDerWaalsContact O-N 3.13Å; I863-G865 VanDerWaalsContact C-N 3.3Å; I863-G865 PolarHBondContact O-N 3.28Å; I863-E866 PolarHBondContact O-N 3.45Å; I863-E867 PolarHBondContact O-N 3Å; I863-E867 VanDerWaalsContact O-N 3.09Å
864	R	82.7	Confident	82.1	Confident	153 Å²	153	99.6 Å²	99.6	58%	0.577	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-30.3	176.5	-77.8	-178.2	177.3	157.6	0.8	113.3	Q860 S861 S862 N868	Q860-R864 PolarHBondContact O-N 2.96Å; S861-R864 PolarHBondContact O-N 3.28Å; S862-R864 PolarHBondContact O-N 2.88Å; R864-N868 PolarHBondContact O-ND2 3.39Å; R864-N868 VanDerWaalsContact O-ND2 3.07Å
865	G	84.4	Confident	82.4	Confident	35 Å²	35	100.7 Å²	100.7	36%	0.361	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-50.7	175.5	0	0	0	0	0	112	S861 S862 I863 E867 N868 I869	S861-G865 PolarHBondContact O-N 2.85Å; S862-G865 PolarHBondContact O-N 3.42Å; S862-G865 VanDerWaalsContact O-N 3.17Å; I863-G865 VanDerWaalsContact C-N 3.3Å; I863-G865 PolarHBondContact O-N 3.28Å; G865-E867 PolarHBondContact O-N 3.48Å; G865-N868 PolarHBondContact O-N 2.85Å; G865-I869 PolarHBondContact O-N 2.93Å
866	E	83.3	Confident	82.6	Confident	113 Å²	113	103.7 Å²	103.7	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-38.1	178.2	-75.1	-63.8	162.7	0	0	112.6	S862 I863 N868 I869 V870	S862-E866 PolarHBondContact O-N 3.27Å; I863-E866 PolarHBondContact O-N 3.45Å; E866-N868 PolarHBondContact O-N 3.24Å; E866-I869 PolarHBondContact O-N 3.12Å; E866-I869 VanDerWaalsContact O-N 3.12Å; E866-V870 WeakPolarHBondContact O-CG2 3.44Å; E866-V870 PolarHBondContact O-N 3.36Å
867	E	80.3	Confident	83.1	Confident	133 Å²	133	104.5 Å²	104.5	62%	0.621	55%	0.547	S	S	*	.	H	α-helix	trans	-56.3	-38.5	176.3	-168.2	-177.8	177.4	0	0	112.3	I863 G865 R871	I863-E867 PolarHBondContact O-N 3Å; I863-E867 VanDerWaalsContact O-N 3.09Å; G865-E867 PolarHBondContact O-N 3.48Å; E867-R871 WeakPolarHBondContact O-CB 3.16Å; E867-R871 PolarHBondContact O-N 3.43Å; E867-R871 VanDerWaalsContact O-N 3.14Å
868	N	83	Confident	83.2	Confident	112 Å²	112	107.9 Å²	107.9	60%	0.599	56%	0.555	S	S	*	*	H	α-helix	trans	-71.4	-35.6	178.1	-73.1	-45.3	0	0	0	113.1	R864 G865 E866 R871 G872	R864-N868 PolarHBondContact O-ND2 3.39Å; R864-N868 VanDerWaalsContact O-ND2 3.07Å; G865-N868 PolarHBondContact O-N 2.85Å; E866-N868 PolarHBondContact O-N 3.24Å; N868-R871 PolarHBondContact O-N 3.29Å; N868-G872 PolarHBondContact O-N 3.04Å; N868-G872 VanDerWaalsContact O-N 3.16Å
869	I	84.4	Confident	83.4	Confident	92 Å²	92	106.7 Å²	106.7	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-48.2	177.5	-63.6	171.9	0	0	0	110	G865 E866 R871 G872 Q873	G865-I869 PolarHBondContact O-N 2.93Å; E866-I869 PolarHBondContact O-N 3.12Å; E866-I869 VanDerWaalsContact O-N 3.12Å; I869-R871 VanDerWaalsContact C-N 3.26Å; I869-R871 PolarHBondContact O-N 3.49Å; I869-G872 PolarHBondContact O-N 3.16Å; I869-G872 VanDerWaalsContact O-N 3.1Å; I869-Q873 PolarHBondContact O-N 3.47Å; I869-Q873 VanDerWaalsContact O-N 3.09Å
870	V	82.3	Confident	83.8	Confident	86 Å²	86	108.4 Å²	108.4	52%	0.521	55%	0.55	S	S	.	*	H	α-helix	trans	-59.3	-40.1	178.2	174.6	0	0	0	0	110.9	E866 G872 Q873 Y874	E866-V870 WeakPolarHBondContact O-CG2 3.44Å; E866-V870 PolarHBondContact O-N 3.36Å; V870-G872 VanDerWaalsContact C-N 3.34Å; V870-G872 PolarHBondContact O-N 2.86Å; V870-Q873 PolarHBondContact O-N 3.33Å; V870-Y874 PolarHBondContact O-N 3.27Å
871	R	83.2	Confident	84.1	Confident	193 Å²	193	110.1 Å²	110.1	73%	0.728	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-36.8	176.9	-160	178.1	-164.2	-177.7	5.6	112.8	E867 N868 I869 S875	E867-R871 WeakPolarHBondContact O-CB 3.16Å; E867-R871 PolarHBondContact O-N 3.43Å; E867-R871 VanDerWaalsContact O-N 3.14Å; N868-R871 PolarHBondContact O-N 3.29Å; I869-R871 VanDerWaalsContact C-N 3.26Å; I869-R871 PolarHBondContact O-N 3.49Å; R871-S875 PolarHBondContact O-N 2.76Å
872	G	85.5	Confident	84.3	Confident	42 Å²	42	112.4 Å²	112.4	43%	0.433	56%	0.558	S	S	.	*	H	α-helix	trans	-65	-48.1	175.1	0	0	0	0	0	112.7	N868 I869 V870 Y874 S875 E876	N868-G872 PolarHBondContact O-N 3.04Å; N868-G872 VanDerWaalsContact O-N 3.16Å; I869-G872 PolarHBondContact O-N 3.16Å; I869-G872 VanDerWaalsContact O-N 3.1Å; V870-G872 VanDerWaalsContact C-N 3.34Å; V870-G872 PolarHBondContact O-N 2.86Å; G872-Y874 VanDerWaalsContact C-N 3.3Å; G872-Y874 PolarHBondContact O-N 2.8Å; G872-S875 PolarHBondContact O-N 3.43Å; G872-S875 VanDerWaalsContact O-N 3.17Å; G872-E876 PolarHBondContact O-N 3.48Å; G872-E876 VanDerWaalsContact O-N 3.16Å
873	Q	84.9	Confident	84.5	Confident	126 Å²	126	113.2 Å²	113.2	59%	0.589	56%	0.56	S	S	*	*	H	α-helix	trans	-59.9	-40.6	177.3	-70.5	-178.5	-18.2	0	0	112.1	I869 V870 S875 E876 L877	I869-Q873 PolarHBondContact O-N 3.47Å; I869-Q873 VanDerWaalsContact O-N 3.09Å; V870-Q873 PolarHBondContact O-N 3.33Å; Q873-S875 VanDerWaalsContact C-N 3.32Å; Q873-S875 PolarHBondContact O-N 3.18Å; Q873-E876 PolarHBondContact O-N 3.42Å; Q873-L877 WeakPolarHBondContact O-CB 3.5Å; Q873-L877 PolarHBondContact O-N 2.53Å
874	Y	81.1	Confident	84.7	Confident	172 Å²	172	112.8 Å²	112.8	68%	0.675	56%	0.555	S	S	*	*	H	α-helix	trans	-61.2	-39.8	177.4	-162.5	-91.7	0	0	0	112.3	V870 G872 Q878	V870-Y874 PolarHBondContact O-N 3.27Å; G872-Y874 VanDerWaalsContact C-N 3.3Å; G872-Y874 PolarHBondContact O-N 2.8Å; Y874-Q878 WeakPolarHBondContact O-CB 3.42Å; Y874-Q878 PolarHBondContact O-N 2.99Å; Y874-Q878 VanDerWaalsContact O-N 3.1Å
875	S	85.2	Confident	84.7	Confident	60 Å²	60	107.9 Å²	107.9	42%	0.42	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-36.5	177.8	-170.8	0	0	0	0	112.9	R871 G872 Q873 Q878 N879	R871-S875 PolarHBondContact O-N 2.76Å; G872-S875 PolarHBondContact O-N 3.43Å; G872-S875 VanDerWaalsContact O-N 3.17Å; Q873-S875 VanDerWaalsContact C-N 3.32Å; Q873-S875 PolarHBondContact O-N 3.18Å; S875-Q878 PolarHBondContact O-N 3.06Å; S875-N879 PolarHBondContact O-N 3.01Å; S875-N879 PolarHBondContact O-ND2 2.89Å
876	E	86	Confident	84.9	Confident	145 Å²	145	111.5 Å²	111.5	68%	0.678	56%	0.558	S	S	*	*	H	α-helix	trans	-69.1	-43	178.6	-162	173	-159.4	0	0	111	G872 Q873 Q878 N879 H880	G872-E876 PolarHBondContact O-N 3.48Å; G872-E876 VanDerWaalsContact O-N 3.16Å; Q873-E876 PolarHBondContact O-N 3.42Å; E876-Q878 VanDerWaalsContact C-N 3.31Å; E876-Q878 PolarHBondContact O-N 3.07Å; E876-N879 PolarHBondContact O-N 3.07Å; E876-H880 PolarHBondContact O-N 2.88Å
877	L	86.9	Confident	85.1	Confident	129 Å²	129	108.2 Å²	108.2	68%	0.675	55%	0.547	S	S	*	.	H	α-helix	trans	-60.7	-40.1	175.1	-154.2	80.3	0	0	0	111.8	Q873 N879 H880 H881	Q873-L877 WeakPolarHBondContact O-CB 3.5Å; Q873-L877 PolarHBondContact O-N 2.53Å; L877-N879 PolarHBondContact O-N 3.11Å; L877-H880 PolarHBondContact O-N 3.28Å; L877-H881 WeakPolarHBondContact O-CB 3.49Å; L877-H881 PolarHBondContact O-N 3.45Å
878	Q	85.3	Confident	85.3	Confident	103 Å²	103	108.8 Å²	108.8	48%	0.481	55%	0.55	S	S	.	*	H	α-helix	trans	-64	-38.1	177	-167.1	-179.5	16.8	0	0	112.4	Y874 S875 E876 K882	Y874-Q878 WeakPolarHBondContact O-CB 3.42Å; Y874-Q878 PolarHBondContact O-N 2.99Å; Y874-Q878 VanDerWaalsContact O-N 3.1Å; S875-Q878 PolarHBondContact O-N 3.06Å; E876-Q878 VanDerWaalsContact C-N 3.31Å; E876-Q878 PolarHBondContact O-N 3.07Å; Q878-K882 PolarHBondContact O-N 3.07Å
879	N	86.7	Confident	85.4	Confident	87 Å²	87	107.8 Å²	107.8	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-71.2	-42.7	176.3	-74.7	-26.5	0	0	0	111.9	S875 E876 L877 H881 K882 T883	S875-N879 PolarHBondContact O-N 3.01Å; S875-N879 PolarHBondContact O-ND2 2.89Å; E876-N879 PolarHBondContact O-N 3.07Å; L877-N879 PolarHBondContact O-N 3.11Å; N879-H881 VanDerWaalsContact C-N 3.31Å; N879-H881 PolarHBondContact O-N 2.97Å; N879-K882 PolarHBondContact O-N 3.3Å; N879-T883 PolarHBondContact O-N 2.97Å; N879-T883 VanDerWaalsContact O-N 3.12Å; N879-T883 PolarHBondContact O-OG1 3.35Å
880	H	88.3	Confident	85.6	Confident	121 Å²	121	108 Å²	108	56%	0.56	55%	0.547	S	S	*	.	H	α-helix	trans	-58.5	-43.5	175.2	-173	-84.8	0	0	0	111.5	E876 L877 K882 T883 E884	E876-H880 PolarHBondContact O-N 2.88Å; L877-H880 PolarHBondContact O-N 3.28Å; H880-K882 VanDerWaalsContact C-N 3.33Å; H880-K882 PolarHBondContact O-N 3.47Å; H880-T883 PolarHBondContact O-N 3.01Å; H880-E884 PolarHBondContact O-N 2.76Å
881	H	85.1	Confident	85.7	Confident	142 Å²	142	110.6 Å²	110.6	66%	0.657	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-38.3	177.6	-165.2	69.3	0	0	0	112.8	L877 N879 A885	L877-H881 WeakPolarHBondContact O-CB 3.49Å; L877-H881 PolarHBondContact O-N 3.45Å; N879-H881 VanDerWaalsContact C-N 3.31Å; N879-H881 PolarHBondContact O-N 2.97Å; H881-A885 WeakPolarHBondContact O-CB 3.39Å; H881-A885 PolarHBondContact O-N 2.89Å
882	K	86.8	Confident	85.7	Confident	129 Å²	129	108.5 Å²	108.5	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-40.8	174.5	-76	-179.7	179.6	174.9	0	112.6	Q878 N879 H880 A885 L886	Q878-K882 PolarHBondContact O-N 3.07Å; N879-K882 PolarHBondContact O-N 3.3Å; H880-K882 VanDerWaalsContact C-N 3.33Å; H880-K882 PolarHBondContact O-N 3.47Å; K882-A885 PolarHBondContact O-N 2.9Å; K882-L886 PolarHBondContact O-N 3.18Å
883	T	88.5	Confident	85.5	Confident	97 Å²	97	109.5 Å²	109.5	60%	0.595	54%	0.539	S	S	*	.	H	α-helix	trans	-67.1	-43.1	178.5	-58.7	0	0	0	0	111.7	N879 H880 L886 S887	N879-T883 PolarHBondContact O-N 2.97Å; N879-T883 VanDerWaalsContact O-N 3.12Å; N879-T883 PolarHBondContact O-OG1 3.35Å; H880-T883 PolarHBondContact O-N 3.01Å; T883-L886 PolarHBondContact O-N 2.91Å; T883-S887 PolarHBondContact O-N 3.04Å
884	E	84.5	Confident	85.4	Confident	98 Å²	98	110.2 Å²	110.2	46%	0.458	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-40.6	175.5	-85.6	-66.8	175.8	0	0	112.3	H880 L886 S887 Q888	H880-E884 PolarHBondContact O-N 2.76Å; E884-L886 VanDerWaalsContact C-N 3.27Å; E884-L886 PolarHBondContact O-N 3.07Å; E884-S887 WeakPolarHBondContact O-CB 3.46Å; E884-S887 PolarHBondContact O-N 3.5Å; E884-Q888 WeakPolarHBondContact O-CB 3.4Å; E884-Q888 PolarHBondContact O-N 2.83Å
885	A	83.7	Confident	85.2	Confident	50 Å²	50	107 Å²	107	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-59.1	-38.1	175.4	0	0	0	0	0	112.6	H881 K882 N889	H881-A885 WeakPolarHBondContact O-CB 3.39Å; H881-A885 PolarHBondContact O-N 2.89Å; K882-A885 PolarHBondContact O-N 2.9Å; A885-N889 WeakPolarHBondContact O-CB 3.29Å; A885-N889 PolarHBondContact O-N 3.42Å
886	L	87.6	Confident	84.9	Confident	111 Å²	111	109.9 Å²	109.9	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-68.2	-43.9	174.7	-77.2	160.4	0	0	0	112.2	K882 T883 E884 N889 N890	K882-L886 PolarHBondContact O-N 3.18Å; T883-L886 PolarHBondContact O-N 2.91Å; E884-L886 VanDerWaalsContact C-N 3.27Å; E884-L886 PolarHBondContact O-N 3.07Å; L886-N889 PolarHBondContact O-N 2.84Å; L886-N890 PolarHBondContact O-N 3.03Å
887	S	87.1	Confident	84.4	Confident	44 Å²	44	107.3 Å²	107.3	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-57.7	-46.9	175.2	166.9	0	0	0	0	111.9	T883 E884 N889 N890 K891	T883-S887 PolarHBondContact O-N 3.04Å; E884-S887 WeakPolarHBondContact O-CB 3.46Å; E884-S887 PolarHBondContact O-N 3.5Å; S887-N889 PolarHBondContact O-N 3.49Å; S887-N890 PolarHBondContact O-N 2.96Å; S887-K891 PolarHBondContact O-N 3.48Å
888	Q	84.8	Confident	83.6	Confident	146 Å²	146	104.1 Å²	104.1	68%	0.682	51%	0.512	S	S	*	.	H	α-helix	trans	-62.9	-41.6	179.2	-167.1	178	19.9	0	0	111.9	E884 K891 Y892	E884-Q888 WeakPolarHBondContact O-CB 3.4Å; E884-Q888 PolarHBondContact O-N 2.83Å; Q888-K891 PolarHBondContact O-N 3.42Å; Q888-Y892 WeakPolarHBondContact O-CB 3.16Å; Q888-Y892 PolarHBondContact O-N 2.9Å
889	N	85.9	Confident	82.5	Confident	91 Å²	91	105.8 Å²	105.8	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-67.9	-36.4	179.2	-156.4	14.3	0	0	0	112.1	A885 L886 S887 Y892 N893	A885-N889 WeakPolarHBondContact O-CB 3.29Å; A885-N889 PolarHBondContact O-N 3.42Å; L886-N889 PolarHBondContact O-N 2.84Å; S887-N889 PolarHBondContact O-N 3.49Å; N889-Y892 PolarHBondContact O-N 3.21Å; N889-N893 PolarHBondContact O-N 2.96Å; N889-N893 VanDerWaalsContact O-N 3.09Å; N889-N893 PolarHBondContact O-ND2 2.98Å; N889-N893 VanDerWaalsContact O-ND2 3.11Å
890	N	87.5	Confident	81.3	Confident	97 Å²	97	108.1 Å²	108.1	52%	0.519	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-48	174.4	-72.1	-15.1	0	0	0	111.7	L886 S887 Y892 N893 E894	L886-N890 PolarHBondContact O-N 3.03Å; S887-N890 PolarHBondContact O-N 2.96Å; N890-Y892 VanDerWaalsContact C-N 3.32Å; N890-Y892 PolarHBondContact O-N 3.42Å; N890-N893 PolarHBondContact O-N 2.97Å; N890-N893 VanDerWaalsContact O-N 3.17Å; N890-E894 PolarHBondContact O-N 3.49Å
891	K	85.9	Confident	79.8	Confident	139 Å²	139	109 Å²	109	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-60.3	-40.8	175.9	-76	-175.7	179.4	177.8	0	112.6	S887 Q888 N893 E894 E895	S887-K891 PolarHBondContact O-N 3.48Å; Q888-K891 PolarHBondContact O-N 3.42Å; K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 3.29Å; K891-E894 PolarHBondContact O-N 3.33Å; K891-E895 PolarHBondContact O-N 3.04Å
892	Y	81.5	Confident	78.2	Confident	149 Å²	149	109.3 Å²	109.3	58%	0.584	54%	0.538	S	S	*	.	H	α-helix	trans	-59.5	-43	175.4	174.5	-98.3	0	0	0	111.9	Q888 N889 N890 E895 R896	Q888-Y892 WeakPolarHBondContact O-CB 3.16Å; Q888-Y892 PolarHBondContact O-N 2.9Å; N889-Y892 PolarHBondContact O-N 3.21Å; N890-Y892 VanDerWaalsContact C-N 3.32Å; N890-Y892 PolarHBondContact O-N 3.42Å; Y892-E895 PolarHBondContact O-N 3.01Å; Y892-R896 WeakPolarHBondContact O-CB 3.44Å; Y892-R896 PolarHBondContact O-N 3.49Å
893	N	83.3	Confident	76.6	Confident	63 Å²	63	109.1 Å²	109.1	34%	0.337	55%	0.55	S	S	.	*	H	α-helix	trans	-68	-39.3	178	-72.3	-37.2	0	0	0	112.5	N889 N890 K891 R896 E897	N889-N893 PolarHBondContact O-N 2.96Å; N889-N893 VanDerWaalsContact O-N 3.09Å; N889-N893 PolarHBondContact O-ND2 2.98Å; N889-N893 VanDerWaalsContact O-ND2 3.11Å; N890-N893 PolarHBondContact O-N 2.97Å; N890-N893 VanDerWaalsContact O-N 3.17Å; K891-N893 VanDerWaalsContact C-N 3.32Å; K891-N893 PolarHBondContact O-N 3.29Å; N893-R896 PolarHBondContact O-N 3.34Å; N893-E897 WeakPolarHBondContact O-CG 3.2Å; N893-E897 PolarHBondContact O-N 3Å
894	E	82.7	Confident	75.2	Confident	141 Å²	141	113.5 Å²	113.5	66%	0.659	56%	0.564	S	S	*	*	H	α-helix	trans	-61.8	-46.3	174	-73.7	176.2	176.7	0	0	112	N890 K891 R896 E897 S898	N890-E894 PolarHBondContact O-N 3.49Å; K891-E894 PolarHBondContact O-N 3.33Å; E894-R896 PolarHBondContact O-N 3.49Å; E894-E897 PolarHBondContact O-N 2.9Å; E894-S898 PolarHBondContact O-N 2.98Å
895	E	76.7	Confident	73.7	Confident	106 Å²	106	113.5 Å²	113.5	50%	0.495	57%	0.573	S	S	.	*	H	α-helix	trans	-59.2	-45.8	174.6	-105.2	-77.3	170.7	0	0	111.4	K891 Y892 E897 S898 Q899	K891-E895 PolarHBondContact O-N 3.04Å; Y892-E895 PolarHBondContact O-N 3.01Å; E895-E897 VanDerWaalsContact C-N 3.31Å; E895-E897 PolarHBondContact O-N 3.35Å; E895-S898 PolarHBondContact O-N 3.25Å; E895-S898 VanDerWaalsContact O-N 3.08Å; E895-S898 PolarHBondContact O-OG 3.4Å; E895-Q899 WeakPolarHBondContact O-CG 3.3Å; E895-Q899 PolarHBondContact O-N 2.88Å; E895-Q899 PolarHBondContact OE2-NE2 2.95Å
896	R	78.7	Confident	72.6	Confident	120 Å²	120	115.2 Å²	115.2	45%	0.453	58%	0.582	S	S	.	*	H	α-helix	trans	-60.5	-37.7	178.3	-162.4	-167.4	76.1	175.1	1.9	112.8	Y892 N893 E894	Y892-R896 WeakPolarHBondContact O-CB 3.44Å; Y892-R896 PolarHBondContact O-N 3.49Å; N893-R896 PolarHBondContact O-N 3.34Å; E894-R896 PolarHBondContact O-N 3.49Å
897	E	74.7	Confident	71.4	Confident	91 Å²	91	118.2 Å²	118.2	43%	0.425	59%	0.593	S	S	.	*	H	α-helix	trans	-73.2	-34.6	174.8	-67	-55.1	132.4	0	0	111.9	N893 E894 E895 Q899 K900	N893-E897 WeakPolarHBondContact O-CG 3.2Å; N893-E897 PolarHBondContact O-N 3Å; E894-E897 PolarHBondContact O-N 2.9Å; E895-E897 VanDerWaalsContact C-N 3.31Å; E895-E897 PolarHBondContact O-N 3.35Å; E897-Q899 VanDerWaalsContact C-N 3.33Å; E897-Q899 PolarHBondContact O-N 3.19Å; E897-K900 VanDerWaalsContact CD-NZ 3.29Å; E897-K900 PolarHBondContact O-N 2.89Å; E897-K900 IonicContact OE1-NZ 2.69Å; E897-K900 PolarHBondContact OE1-NZ 2.96Å; E897-K900 IonicContact OE2-NZ 3.36Å; E897-K900 PolarHBondContact OE2-NZ 3.42Å
898	S	71.4	Confident	70.4	Confident	61 Å²	61	123.9 Å²	123.9	43%	0.427	61%	0.614	S	S	.	*	H	α-helix	trans	-65.2	-33.4	175.6	78.6	0	0	0	0	113.3	E894 E895 K900	E894-S898 PolarHBondContact O-N 2.98Å; E895-S898 PolarHBondContact O-N 3.25Å; E895-S898 VanDerWaalsContact O-N 3.08Å; E895-S898 PolarHBondContact O-OG 3.4Å; S898-K900 VanDerWaalsContact C-N 3.29Å; S898-K900 PolarHBondContact O-N 3.06Å
899	Q	62.2	Low	69.6	Low	138 Å²	138	118.8 Å²	118.8	65%	0.645	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-72.3	-16	178.5	-71.1	179.6	28.4	0	0	113.9	E895 E897 I901	E895-Q899 WeakPolarHBondContact O-CG 3.3Å; E895-Q899 PolarHBondContact O-N 2.88Å; E895-Q899 PolarHBondContact OE2-NE2 2.95Å; E897-Q899 VanDerWaalsContact C-N 3.33Å; E897-Q899 PolarHBondContact O-N 3.19Å; Q899-I901 PolarHBondContact O-N 3.1Å
900	K	60	Low	68.9	Low	136 Å²	136	118.2 Å²	118.2	59%	0.591	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-74.8	-5.3	178.1	-72.8	176.1	-178.4	167.9	0	114.5	E897 S898	E897-K900 VanDerWaalsContact CD-NZ 3.29Å; E897-K900 PolarHBondContact O-N 2.89Å; E897-K900 IonicContact OE1-NZ 2.69Å; E897-K900 PolarHBondContact OE1-NZ 2.96Å; E897-K900 IonicContact OE2-NZ 3.36Å; E897-K900 PolarHBondContact OE2-NZ 3.42Å; S898-K900 VanDerWaalsContact C-N 3.29Å; S898-K900 PolarHBondContact O-N 3.06Å
901	I	58.1	Low	68.4	Low	140 Å²	140	120.8 Å²	120.8	72%	0.718	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-98.4	2	-167.5	-61.9	174.5	0	0	0	113.8	Q899	Q899-I901 PolarHBondContact O-N 3.1Å
902	I	51	Low	67.8	Low	148 Å²	148	122.1 Å²	122.1	76%	0.759	61%	0.609	S	S	*	*	S	Bend	trans	-129.6	131.6	-175.9	-50	179.4	0	0	0	112.9
903	P	52.4	Low	67.2	Low	126 Å²	126	121.6 Å²	121.6	82%	0.818	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-89.6	157.4	-171	2.8	17.3	0	0	0	117
904	E	59	Low	66.8	Low	189 Å²	189	122.8 Å²	122.8	88%	0.883	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-75.1	167.2	-168.3	-63.1	172.8	132.9	0	0	118.6
905	P	54.8	Low	66.5	Low	98 Å²	98	120.9 Å²	120.9	64%	0.636	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-97.8	145.5	160.9	34.4	-25.4	0	0	0	114.2	A909	P905-A909 HydrophobicContact CB-CB 4.31Å
906	S	59	Low	66.6	Low	86 Å²	86	120.8 Å²	120.8	60%	0.601	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-64.5	161.4	-172.7	59.9	0	0	0	0	115.9	E908 A909	S906-E908 PolarHBondContact O-N 3.28Å; S906-A909 WeakPolarHBondContact O-CB 3.36Å; S906-A909 PolarHBondContact O-N 3.43Å
907	E	63	Low	66.4	Low	174 Å²	174	123 Å²	123	81%	0.813	63%	0.633	S	S	*	*	H	α-helix	trans	-51.2	-31.5	-173	-140.7	177.3	175.6	0	0	115.2	K911	E907-K911 PolarHBondContact O-N 2.88Å
908	E	66	Low	66.4	Low	162 Å²	162	126.2 Å²	126.2	76%	0.757	65%	0.646	S	S	*	*	H	α-helix	trans	-70.3	-35.4	176.7	-74.1	-173	147.6	0	0	113.2	S906 K911 K912	S906-E908 PolarHBondContact O-N 3.28Å; E908-K911 PolarHBondContact O-N 2.82Å; E908-K912 PolarHBondContact O-N 3.41Å
909	A	68.2	Low	66.3	Low	40 Å²	40	128.1 Å²	128.1	33%	0.331	65%	0.651	S	S	.	*	H	α-helix	trans	-69	-38.5	179.1	0	0	0	0	0	111.2	P905 S906 M913	P905-A909 HydrophobicContact CB-CB 4.31Å; S906-A909 WeakPolarHBondContact O-CB 3.36Å; S906-A909 PolarHBondContact O-N 3.43Å; A909-M913 WeakPolarHBondContact O-CG 3.47Å; A909-M913 PolarHBondContact O-N 3.18Å; A909-M913 VanDerWaalsContact O-N 3.11Å
910	V	71.2	Confident	66.4	Low	78 Å²	78	131.5 Å²	131.5	47%	0.473	66%	0.658	S	S	.	*	H	α-helix	trans	-63.1	-43.2	174.9	179.1	0	0	0	0	110.6	M913 V914	V910-M913 PolarHBondContact O-N 2.96Å; V910-V914 VanDerWaalsContact O-CG2 3.32Å; V910-V914 WeakPolarHBondContact O-CG2 3.24Å; V910-V914 PolarHBondContact O-N 3.43Å; V910-V914 VanDerWaalsContact O-N 3.15Å
911	K	75.8	Confident	66.7	Low	152 Å²	152	132.4 Å²	132.4	66%	0.661	67%	0.669	S	S	*	*	H	α-helix	trans	-67	-43.5	-179.1	-140	175.4	-174.5	178.3	0	112.4	E907 E908 M913 V914 D915	E907-K911 PolarHBondContact O-N 2.88Å; E908-K911 PolarHBondContact O-N 2.82Å; K911-M913 VanDerWaalsContact C-N 3.31Å; K911-M913 PolarHBondContact O-N 2.98Å; K911-V914 WeakPolarHBondContact O-CB 3.28Å; K911-V914 PolarHBondContact O-N 3.45Å; K911-V914 VanDerWaalsContact O-N 3.11Å; K911-D915 PolarHBondContact O-N 3.3Å; K911-D915 VanDerWaalsContact O-N 3.16Å
912	K	73.5	Confident	66.7	Low	167 Å²	167	133.5 Å²	133.5	73%	0.726	67%	0.668	S	S	*	*	H	α-helix	trans	-64.4	-33.3	177.4	-124.6	176.6	-178	176.9	0	113	E908 D916	E908-K912 PolarHBondContact O-N 3.41Å; K912-D916 PolarHBondContact O-N 3.46Å
913	M	69.3	Low	66.8	Low	138 Å²	138	129.9 Å²	129.9	68%	0.68	67%	0.667	S	S	*	*	H	α-helix	trans	-69.7	-32.6	172.9	-81.5	175.5	30.3	0	0	113.1	A909 V910 K911 K917	A909-M913 WeakPolarHBondContact O-CG 3.47Å; A909-M913 PolarHBondContact O-N 3.18Å; A909-M913 VanDerWaalsContact O-N 3.11Å; V910-M913 PolarHBondContact O-N 2.96Å; K911-M913 VanDerWaalsContact C-N 3.31Å; K911-M913 PolarHBondContact O-N 2.98Å; M913-K917 PolarHBondContact O-N 3.18Å
914	V	75.6	Confident	66.6	Low	88 Å²	88	130 Å²	130	53%	0.533	67%	0.668	S	S	.	*	H	α-helix	trans	-70.7	-35.5	177.7	168.2	0	0	0	0	111.6	V910 K911	V910-V914 VanDerWaalsContact O-CG2 3.32Å; V910-V914 WeakPolarHBondContact O-CG2 3.24Å; V910-V914 PolarHBondContact O-N 3.43Å; V910-V914 VanDerWaalsContact O-N 3.15Å; K911-V914 WeakPolarHBondContact O-CB 3.28Å; K911-V914 PolarHBondContact O-N 3.45Å; K911-V914 VanDerWaalsContact O-N 3.11Å
915	D	77.3	Confident	65.9	Low	101 Å²	101	132.9 Å²	132.9	54%	0.54	69%	0.688	S	S	.	*	H	α-helix	trans	-70.8	-44.2	178.6	-70.9	-25.3	0	0	0	112.1	K911 K917 K918	K911-D915 PolarHBondContact O-N 3.3Å; K911-D915 VanDerWaalsContact O-N 3.16Å; D915-K917 VanDerWaalsContact C-N 3.31Å; D915-K917 PolarHBondContact O-N 2.88Å; D915-K918 PolarHBondContact O-N 2.88Å
916	D	77.1	Confident	66.4	Low	103 Å²	103	134.7 Å²	134.7	55%	0.551	69%	0.691	S	S	*	*	H	α-helix	trans	-65.9	-30.5	-178.9	-161.2	62	0	0	0	113.2	K912 K918 R920	K912-D916 PolarHBondContact O-N 3.46Å; D916-K918 VanDerWaalsContact C-N 3.34Å; D916-R920 PolarHBondContact O-N 2.93Å
917	K	75.1	Confident	66.8	Low	166 Å²	166	137.2 Å²	137.2	72%	0.722	70%	0.696	S	S	*	*	H	α-helix	trans	-77	-20.2	178.4	-149.9	165	-173.4	175.5	0	113.2	M913 D915	M913-K917 PolarHBondContact O-N 3.18Å; D915-K917 VanDerWaalsContact C-N 3.31Å; D915-K917 PolarHBondContact O-N 2.88Å
918	K	74.3	Confident	67	Low	160 Å²	160	135.2 Å²	135.2	70%	0.696	69%	0.689	S	S	*	*	H	α-helix	trans	-82.2	-28.8	178.5	-151.7	175.9	-176	179.7	0	112.3	D915 D916	D915-K918 PolarHBondContact O-N 2.88Å; D916-K918 VanDerWaalsContact C-N 3.34Å
919	D	68.9	Low	67.1	Low	101 Å²	101	133.6 Å²	133.6	54%	0.54	69%	0.685	S	S	.	*	H	α-helix	trans	-84.8	-24.9	176.2	-88.5	-31	0	0	0	114.1	L921 K922	D919-L921 PolarHBondContact O-N 3.35Å; D919-K922 PolarHBondContact O-N 2.97Å; D919-K922 IonicContact OD1-NZ 2.77Å; D919-K922 PolarHBondContact OD1-NZ 3.14Å
920	R	65.9	Low	67	Low	208 Å²	208	139.4 Å²	139.4	79%	0.785	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-3.1	175.4	-71.5	-179.5	73.4	177.9	2.9	115.5	D916	D916-R920 PolarHBondContact O-N 2.93Å
921	L	64.9	Low	66.7	Low	156 Å²	156	143.5 Å²	143.5	82%	0.817	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	2.8	174.7	-81.6	158	0	0	0	113.7	D919	D919-L921 PolarHBondContact O-N 3.35Å
922	K	58.2	Low	66.1	Low	162 Å²	162	142.9 Å²	142.9	70%	0.704	73%	0.727	S	S	*	*			trans	-101.5	107.4	171.8	-65.7	171.8	-174.9	154.1	0	110.4	D919	D919-K922 PolarHBondContact O-N 2.97Å; D919-K922 IonicContact OD1-NZ 2.77Å; D919-K922 PolarHBondContact OD1-NZ 3.14Å
923	G	53.9	Low	65.5	Low	72 Å²	72	141.1 Å²	141.1	74%	0.742	73%	0.728	S	S	*	*			trans	157.5	145.9	165.6	0	0	0	0	0	114.8
924	P	48.5	Very low	65.2	Low	130 Å²	130	141.3 Å²	141.3	84%	0.844	73%	0.731	S	S	*	*			trans	-93.9	135.3	-145.5	35.3	-33.1	0	0	0	116.1
925	L	42.5	Very low	64.2	Low	249 Å²	249	146.2 Å²	146.2	100%	1.304	75%	0.75	S	S	*	*			trans	-166.5	0	142.9	-111.1	163.9	0	0	0	108.8

Retrieved 925 of 925 residues in 637.4 ms (Link to these results)

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