A0A3Q0KPR6_SCHMA Loading...

Putative cullin

AlphaFold DB , UniProt , Accession A0A3Q0KPR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 863 aa.

						>A0A3Q0KPR6_SCHMA|A0A3Q0KPR6
MSASTGNLALVWDDLKSGFDAIFRLETIKRKRYMELHTHVYNYCTSVDPKSHATPSRSAIETEPGGKLVGFELYKKLRNYLKAHVHSLKLKGNNLVDEETLSYFEKAWTEFRFASRVLDGVCNYLNRHWVKRECEEGRKNVYVVYTLALITWREHLLKPHARVLISAILREIERERRGEILSTLRLRKIIECLVELGITSDQQSFSTSTLTGTTTSPSEPLPYLMKPFKSNFPPKPSGSTVKPNKSEVESSFQGTSNKTVPNFRGPLHPGDPADESTPNTPSATSSLTSDTRTNLSVYQEYFERPFLTETERYYRLESAQFLQSNTVPEYLQKVETRLNEERIRVQTYLHISTLPKLIRSCEHYLIGEHIDRLTSVFSDLFNEDREEDIWRMYRLVGHFPSGIRVLVSVMEDHVADKGWEAIRQVAEAALNDPKLYIDTILKVHQKHYNLVLSAFAWDPAFSRALDKGCERFINRNAVTELAGNQRKSPELLAKYADFLLKKSAKDIQLDDLEETLGQVMNVFRYIEDKDVFQKFYSKTLARRLVYNQSVSEDAEASMISKLKEACGFEYTAKLQRMFQDVNATRELNAKFSDYLQKQEEANGSTIKGTDFNIMILSSNAWPFQAQGPFSIPPELEQCHNTFLAFYQEHHTGRKLTWCYHLSRGEVVTNYTKTRYIFQVSTYQMSVLMLYNSSLVYTVSAIQLQTGIEEATLLQILQILLKAKVLKIVSDPKCELDQSTVISDDSNESHLSPDTHLALYTDYKNKRVRVYLNVPLKSETKQEIEQTLGNVESDRKLIVQACIVRIMKTRKVMKHHQLISEVVTQLTPRFKPTVLLIKRCITALIEREYIKRDNNERDAYEYLA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	58.1	Low	181 Å²	181	68.7 Å²	68.7	89%	0.892	43%	0.429	S	S	*	.				0	-57	0	-77.4	-170.9	170.2	0	0	113.8	S4 T5 D48	M1-S4 PolarHBondContact O-OG 3.28Å; M1-S4 VanDerWaalsContact O-OG 3.12Å; M1-T5 PolarHBondContact O-OG1 3.49Å; M1-D48 PolarHBondContact N-OD2 3.24Å
2	S	43.4	Very low	60.6	Low	106 Å²	106	64.9 Å²	64.9	74%	0.741	40%	0.401	S	S	*	.	H	α-helix	trans	-77	-26.1	-177.9	61.5	0	0	0	0	116	T5	S2-T5 VanDerWaalsContact C-OG1 3.27Å; S2-T5 WeakPolarHBondContact CA-OG1 3.38Å; S2-T5 PolarHBondContact O-OG1 3.31Å
3	A	45.2	Very low	62.7	Low	62 Å²	62	68.7 Å²	68.7	51%	0.512	42%	0.417	S	S	.	.	H	α-helix	trans	-75.2	-40	179.6	0	0	0	0	0	112.5	G6 N7	A3-G6 PolarHBondContact O-N 2.76Å; A3-N7 PolarHBondContact O-N 3.12Å
4	S	43.7	Very low	64.6	Low	13 Å²	13	67.5 Å²	67.5	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-37.5	176.9	59.1	0	0	0	0	112.9	M1 G6 N7 L8	M1-S4 PolarHBondContact O-OG 3.28Å; M1-S4 VanDerWaalsContact O-OG 3.12Å; S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 3.37Å; S4-N7 PolarHBondContact O-N 3.42Å; S4-L8 PolarHBondContact O-N 3.5Å
5	T	46.7	Very low	66.4	Low	60 Å²	60	63 Å²	63	37%	0.368	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-35.7	175.8	43.6	0	0	0	0	112.4	M1 S2 L8 A9 E72	M1-T5 PolarHBondContact O-OG1 3.49Å; S2-T5 VanDerWaalsContact C-OG1 3.27Å; S2-T5 WeakPolarHBondContact CA-OG1 3.38Å; S2-T5 PolarHBondContact O-OG1 3.31Å; T5-L8 PolarHBondContact O-N 3.15Å; T5-A9 PolarHBondContact O-N 2.74Å; T5-A9 VanDerWaalsContact O-N 3.15Å; T5-E72 WeakPolarHBondContact CG2-OE1 3.42Å; T5-E72 VanDerWaalsContact CG2-OE2 3.3Å; T5-E72 WeakPolarHBondContact CG2-OE2 3.03Å
6	G	53.1	Low	68	Low	37 Å²	37	64.8 Å²	64.8	38%	0.381	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-41.9	-178.8	0	0	0	0	0	112.8	A3 S4 A9	A3-G6 PolarHBondContact O-N 2.76Å; S4-G6 VanDerWaalsContact C-N 3.29Å; S4-G6 PolarHBondContact O-N 3.37Å; G6-A9 PolarHBondContact O-N 3.3Å
7	N	66.1	Low	69.3	Low	78 Å²	78	65.1 Å²	65.1	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-69.4	-37.1	178.1	-158.4	-10.2	0	0	0	111.7	A3 S4 A9 L10 V11	A3-N7 PolarHBondContact O-N 3.12Å; S4-N7 PolarHBondContact O-N 3.42Å; N7-A9 PolarHBondContact O-N 3.5Å; N7-L10 PolarHBondContact O-N 3.47Å; N7-V11 WeakPolarHBondContact O-CG2 3.3Å; N7-V11 PolarHBondContact O-N 3.22Å
8	L	70.4	Confident	70.6	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-39.3	175.2	-170.4	57.4	0	0	0	112.6	S4 T5 L10 V11 W12 Y43 E72 L73 K76	S4-L8 PolarHBondContact O-N 3.5Å; T5-L8 PolarHBondContact O-N 3.15Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.47Å; L8-V11 PolarHBondContact O-N 3.43Å; L8-W12 HydrophobicContact CG-CB 4.5Å; L8-W12 WeakPolarHBondContact O-CA 3.22Å; L8-W12 WeakPolarHBondContact O-CB 3.44Å; L8-W12 PolarHBondContact O-N 3.41Å; L8-Y43 HydrophobicContact CB-CD2 4.13Å; L8-Y43 HydrophobicContact CB-CE2 3.46Å; L8-Y43 VanDerWaalsContact CB-CE2 3.46Å; L8-Y43 HydrophobicContact CD1-CD1 4.32Å; L8-Y43 HydrophobicContact CD1-CD2 3.87Å; L8-Y43 HydrophobicContact CD1-CE1 4.19Å; L8-Y43 HydrophobicContact CD1-CE2 3.77Å; L8-Y43 HydrophobicContact CD1-CG 4.14Å; L8-Y43 HydrophobicContact CD2-CE2 4.31Å; L8-Y43 HydrophobicContact CG-CE2 4.01Å; L8-E72 HydrophobicContact CD2-CB 3.54Å; L8-L73 HydrophobicContact CD1-CB 4.2Å; L8-L73 HydrophobicContact CD1-CD1 3.93Å; L8-K76 HydrophobicContact CD2-CD 4.01Å; L8-K76 HydrophobicContact CD2-CG 4.45Å; L8-K76 HydrophobicContact CG-CD 4.34Å
9	A	75.1	Confident	71.8	Confident	50 Å²	50	58.4 Å²	58.4	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-43.8	-178.9	0	0	0	0	0	111.5	T5 G6 N7	T5-A9 PolarHBondContact O-N 2.74Å; T5-A9 VanDerWaalsContact O-N 3.15Å; G6-A9 PolarHBondContact O-N 3.3Å; N7-A9 PolarHBondContact O-N 3.5Å
10	L	75.5	Confident	72.8	Confident	143 Å²	143	57.8 Å²	57.8	75%	0.749	34%	0.342	S	S	*	.	H	α-helix	trans	-67	-41.5	179.2	-66.3	170.8	0	0	0	113	N7 L8	N7-L10 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.47Å
11	V	83.4	Confident	73.7	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-81.6	-27.3	-177.4	177	0	0	0	0	112.2	N7 L8 D13 D14 L15 H39	N7-V11 WeakPolarHBondContact O-CG2 3.3Å; N7-V11 PolarHBondContact O-N 3.22Å; L8-V11 PolarHBondContact O-N 3.43Å; V11-D13 PolarHBondContact O-N 3.42Å; V11-D14 PolarHBondContact O-N 3.25Å; V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.05Å; V11-L15 PolarHBondContact O-N 3.28Å; V11-H39 HydrophobicContact CG1-CB 3.56Å; V11-H39 WeakPolarHBondContact CG1-ND1 3.33Å
12	W	89	Confident	76.5	Confident	23 Å²	23	47.3 Å²	47.3	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-34.8	-174.2	178.9	-99.5	0	0	0	113.4	L8 D14 L15 K16 F19 L73 K76	L8-W12 HydrophobicContact CG-CB 4.5Å; L8-W12 WeakPolarHBondContact O-CA 3.22Å; L8-W12 WeakPolarHBondContact O-CB 3.44Å; L8-W12 PolarHBondContact O-N 3.41Å; W12-D14 VanDerWaalsContact C-N 3.29Å; W12-D14 PolarHBondContact O-N 3.39Å; W12-L15 HydrophobicContact CE3-CB 4.34Å; W12-L15 HydrophobicContact CE3-CD1 4.31Å; W12-L15 PolarHBondContact O-N 2.84Å; W12-K16 WeakPolarHBondContact O-CB 3.46Å; W12-K16 PolarHBondContact O-N 2.82Å; W12-F19 HydrophobicContact CH2-CD2 4.24Å; W12-F19 AromaticContact CH2-CE2 3.86Å; W12-F19 HydrophobicContact CH2-CE2 3.86Å; W12-F19 AromaticContact CZ3-CE2 3.85Å; W12-F19 HydrophobicContact CZ3-CE2 3.85Å; W12-L73 HydrophobicContact CE3-CD1 3.8Å; W12-L73 HydrophobicContact CZ3-CD1 3.64Å; W12-K76 HydrophobicContact CB-CD 4.16Å; W12-K76 VanDerWaalsContact CB-NZ 3.34Å; W12-K76 HydrophobicContact CD2-CB 3.94Å; W12-K76 HydrophobicContact CD2-CD 3.3Å; W12-K76 HydrophobicContact CD2-CG 4.28Å; W12-K76 HydrophobicContact CE3-CB 3.84Å; W12-K76 HydrophobicContact CE3-CD 3.77Å; W12-K76 HydrophobicContact CE3-CG 4.48Å; W12-K76 HydrophobicContact CG-CD 3.44Å; W12-K76 VanDerWaalsContact CG-CD 3.44Å; W12-K76 VanDerWaalsContact CG-NZ 3.28Å; W12-K76 VanDerWaalsContact CH2-C 3.42Å; W12-K76 HydrophobicContact CH2-CB 3.49Å; W12-K76 VanDerWaalsContact CH2-CB 3.49Å; W12-K76 HydrophobicContact CZ2-CB 3.59Å; W12-K76 HydrophobicContact CZ2-CD 4.28Å; W12-K76 HydrophobicContact CZ3-CB 3.62Å; W12-K76 HydrophobicContact CZ3-CD 4.43Å
13	D	87.7	Confident	78.8	Confident	114 Å²	114	43 Å²	43	61%	0.61	26%	0.259	S	S	*	.	H	α-helix	trans	-64.3	-39.2	179.5	-69.8	-20.3	0	0	0	111.1	V11 S17	V11-D13 PolarHBondContact O-N 3.42Å; D13-S17 WeakPolarHBondContact O-CB 2.99Å; D13-S17 PolarHBondContact O-N 3.43Å
14	D	89.4	Confident	81	Confident	52 Å²	52	48.3 Å²	48.3	28%	0.278	27%	0.265	S	S	.	.	H	α-helix	trans	-69.5	-43.8	173.8	-169.4	57.1	0	0	0	112.3	V11 W12 K16 S17 G18 R32 H39	V11-D14 PolarHBondContact O-N 3.25Å; W12-D14 VanDerWaalsContact C-N 3.29Å; W12-D14 PolarHBondContact O-N 3.39Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 2.89Å; D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 3.45Å; D14-G18 PolarHBondContact O-N 3.06Å; D14-R32 PolarHBondContact O-NH2 3.45Å; D14-R32 IonicContact OD1-CZ 3.87Å; D14-R32 IonicContact OD1-NH1 3.05Å; D14-R32 PolarHBondContact OD1-NH1 3.33Å; D14-R32 IonicContact OD1-NH2 3.31Å; D14-R32 PolarHBondContact OD1-NH2 3.43Å; D14-R32 IonicContact OD2-CZ 2.8Å; D14-R32 IonicContact OD2-NH1 2.84Å; D14-R32 PolarHBondContact OD2-NH1 3.46Å; D14-R32 IonicContact OD2-NH2 3.44Å; D14-R32 PolarHBondContact OD2-NH2 3.35Å; D14-H39 IonicContact OD2-CD2 3.27Å; D14-H39 IonicContact OD2-NE2 3.67Å; D14-H39 PolarHBondContact OD2-NE2 2.91Å
15	L	90.9	Very high	83.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-46	174.5	-78.6	174.1	0	0	0	111.7	V11 W12 G18 F19 L36 H39 V40 L73	V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.05Å; V11-L15 PolarHBondContact O-N 3.28Å; W12-L15 HydrophobicContact CE3-CB 4.34Å; W12-L15 HydrophobicContact CE3-CD1 4.31Å; W12-L15 PolarHBondContact O-N 2.84Å; L15-G18 CarbonylContact O-C 3.57Å; L15-G18 WeakPolarHBondContact O-CA 3.35Å; L15-G18 PolarHBondContact O-N 2.96Å; L15-G18 VanDerWaalsContact O-N 3.16Å; L15-F19 HydrophobicContact CB-CE2 4.22Å; L15-F19 HydrophobicContact CB-CZ 4.16Å; L15-F19 HydrophobicContact CD2-CE1 4.35Å; L15-F19 HydrophobicContact CD2-CZ 4.15Å; L15-F19 WeakPolarHBondContact O-CD1 3.49Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 WeakPolarHBondContact O-CG 3.43Å; L15-F19 PolarHBondContact O-N 3.45Å; L15-L36 HydrophobicContact CD2-CB 4.41Å; L15-L36 HydrophobicContact CD2-CD2 4.08Å; L15-H39 HydrophobicContact CD1-CB 4.44Å; L15-H39 HydrophobicContact CD2-CB 3.76Å; L15-H39 HydrophobicContact CG-CB 4.08Å; L15-V40 HydrophobicContact CD2-CG2 4.03Å; L15-L73 HydrophobicContact CD1-CD1 3.84Å
16	K	91.6	Very high	85.3	Confident	92 Å²	92	51.9 Å²	51.9	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-44.6	178.1	-177.7	-177	175.7	-176.6	0	110.9	W12 D14 G18 F19 D20 Y80	W12-K16 WeakPolarHBondContact O-CB 3.46Å; W12-K16 PolarHBondContact O-N 2.82Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 2.89Å; K16-G18 VanDerWaalsContact C-N 3.28Å; K16-G18 PolarHBondContact O-N 3.47Å; K16-F19 PolarHBondContact O-N 2.88Å; K16-D20 PolarHBondContact O-N 3.27Å; K16-Y80 HydrophobicContact CG-CD2 4.09Å; K16-Y80 HydrophobicContact CG-CE2 4.05Å
17	S	91.3	Very high	86.9	Confident	69 Å²	69	55.6 Å²	55.6	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-42.2	173.7	176	0	0	0	0	111.6	D13 D14 D20 A21	D13-S17 WeakPolarHBondContact O-CB 2.99Å; D13-S17 PolarHBondContact O-N 3.43Å; D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 3.45Å; S17-D20 PolarHBondContact O-N 3.47Å; S17-A21 PolarHBondContact O-N 3.18Å; S17-A21 VanDerWaalsContact O-N 3.08Å
18	G	92.1	Very high	87.8	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-43.9	173.2	0	0	0	0	0	113.4	D14 L15 K16 A21 I22	D14-G18 PolarHBondContact O-N 3.06Å; L15-G18 CarbonylContact O-C 3.57Å; L15-G18 WeakPolarHBondContact O-CA 3.35Å; L15-G18 PolarHBondContact O-N 2.96Å; L15-G18 VanDerWaalsContact O-N 3.16Å; K16-G18 VanDerWaalsContact C-N 3.28Å; K16-G18 PolarHBondContact O-N 3.47Å; G18-A21 WeakPolarHBondContact O-CB 3.41Å; G18-A21 PolarHBondContact O-N 2.95Å; G18-I22 WeakPolarHBondContact O-CG1 3.32Å; G18-I22 PolarHBondContact O-N 2.92Å
19	F	93.6	Very high	88.7	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-39.5	177.3	-58.2	-19.8	0	0	0	111.7	W12 L15 K16 A21 I22 F23 L77 Y80 L118 V121	W12-F19 HydrophobicContact CH2-CD2 4.24Å; W12-F19 AromaticContact CH2-CE2 3.86Å; W12-F19 HydrophobicContact CH2-CE2 3.86Å; W12-F19 AromaticContact CZ3-CE2 3.85Å; W12-F19 HydrophobicContact CZ3-CE2 3.85Å; L15-F19 HydrophobicContact CB-CE2 4.22Å; L15-F19 HydrophobicContact CB-CZ 4.16Å; L15-F19 HydrophobicContact CD2-CE1 4.35Å; L15-F19 HydrophobicContact CD2-CZ 4.15Å; L15-F19 WeakPolarHBondContact O-CD1 3.49Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 WeakPolarHBondContact O-CG 3.43Å; L15-F19 PolarHBondContact O-N 3.45Å; K16-F19 PolarHBondContact O-N 2.88Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.3Å; F19-I22 HydrophobicContact CD1-CD1 4.14Å; F19-I22 WeakPolarHBondContact O-CB 3.47Å; F19-I22 PolarHBondContact O-N 3.38Å; F19-I22 VanDerWaalsContact O-N 3.09Å; F19-F23 WeakPolarHBondContact O-CD2 3.5Å; F19-F23 PolarHBondContact O-N 3.18Å; F19-L77 HydrophobicContact CD2-CD1 4.15Å; F19-L77 HydrophobicContact CE2-CD1 3.67Å; F19-L77 HydrophobicContact CZ-CD1 4.13Å; F19-Y80 HydrophobicContact CB-CD1 4.32Å; F19-Y80 HydrophobicContact CB-CE1 3.7Å; F19-Y80 HydrophobicContact CB-CE2 4.1Å; F19-Y80 HydrophobicContact CD2-CD1 4.39Å; F19-Y80 PolarHBondContact O-OH 3.48Å; F19-L118 HydrophobicContact CB-CD1 4.39Å; F19-L118 HydrophobicContact CD1-CD1 3.29Å; F19-L118 HydrophobicContact CD2-CD1 4.19Å; F19-L118 HydrophobicContact CE1-CD1 3.44Å; F19-L118 VanDerWaalsContact CE1-CD1 3.44Å; F19-L118 HydrophobicContact CE2-CD1 4.31Å; F19-L118 HydrophobicContact CG-CD1 3.7Å; F19-L118 HydrophobicContact CZ-CD1 3.96Å; F19-V121 HydrophobicContact CE1-CG1 4.07Å
20	D	92.8	Very high	89.3	Confident	46 Å²	46	65 Å²	65	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-41.9	174.2	-74.2	-25.4	0	0	0	111.4	K16 S17 I22 F23 R24 Y80	K16-D20 PolarHBondContact O-N 3.27Å; S17-D20 PolarHBondContact O-N 3.47Å; D20-I22 VanDerWaalsContact C-N 3.34Å; D20-I22 PolarHBondContact O-N 3.04Å; D20-F23 PolarHBondContact O-N 3.39Å; D20-R24 VanDerWaalsContact O-CB 3.31Å; D20-R24 WeakPolarHBondContact O-CB 3.31Å; D20-R24 WeakPolarHBondContact O-CG 3.47Å; D20-R24 PolarHBondContact O-N 3.47Å; D20-Y80 VanDerWaalsContact CA-OH 3.29Å; D20-Y80 WeakPolarHBondContact CA-OH 3.36Å; D20-Y80 PolarHBondContact N-OH 3.07Å; D20-Y80 VanDerWaalsContact N-OH 3.15Å; D20-Y80 WeakPolarHBondContact OD1-CE2 3.12Å; D20-Y80 PolarHBondContact OD1-OH 3.07Å
21	A	91.6	Very high	90	Very high	15 Å²	15	65.8 Å²	65.8	12%	0.124	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-40.3	173.4	0	0	0	0	0	112.1	S17 G18 F19 R24 L25 E26 I28	S17-A21 PolarHBondContact O-N 3.18Å; S17-A21 VanDerWaalsContact O-N 3.08Å; G18-A21 WeakPolarHBondContact O-CB 3.41Å; G18-A21 PolarHBondContact O-N 2.95Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.3Å; A21-R24 PolarHBondContact O-N 3.38Å; A21-L25 PolarHBondContact O-N 2.95Å; A21-E26 HydrophobicContact CB-CB 4.17Å; A21-E26 WeakPolarHBondContact O-CB 3.41Å; A21-E26 PolarHBondContact O-N 3.35Å; A21-I28 HydrophobicContact CB-CD1 4.38Å
22	I	93.2	Very high	90.3	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-51.2	175.6	-66.5	168.9	0	0	0	110.9	G18 F19 D20 R24 L25 I28 A114 V117 L118 V121	G18-I22 WeakPolarHBondContact O-CG1 3.32Å; G18-I22 PolarHBondContact O-N 2.92Å; F19-I22 HydrophobicContact CD1-CD1 4.14Å; F19-I22 WeakPolarHBondContact O-CB 3.47Å; F19-I22 PolarHBondContact O-N 3.38Å; F19-I22 VanDerWaalsContact O-N 3.09Å; D20-I22 VanDerWaalsContact C-N 3.34Å; D20-I22 PolarHBondContact O-N 3.04Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 3.06Å; I22-L25 PolarHBondContact O-N 3.13Å; I22-I28 HydrophobicContact CB-CD1 4.22Å; I22-I28 HydrophobicContact CD1-CD1 4.29Å; I22-I28 HydrophobicContact CG1-CD1 3.23Å; I22-A114 HydrophobicContact CG2-CB 3.89Å; I22-A114 WeakPolarHBondContact CG2-O 3.43Å; I22-V117 HydrophobicContact CD1-CG1 4.08Å; I22-V117 HydrophobicContact CG1-CG1 4.03Å; I22-V117 HydrophobicContact CG2-CB 3.91Å; I22-V117 HydrophobicContact CG2-CG1 4.05Å; I22-L118 HydrophobicContact CD1-CD1 4.39Å; I22-V121 HydrophobicContact CD1-CG2 4.09Å
23	F	92.7	Very high	90.4	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-77.3	-14.1	-176.7	-79.2	-83	0	0	0	114.2	F19 D20 L25 Y80 L81 H84 F111 A114 L118	F19-F23 WeakPolarHBondContact O-CD2 3.5Å; F19-F23 PolarHBondContact O-N 3.18Å; D20-F23 PolarHBondContact O-N 3.39Å; F23-L25 VanDerWaalsContact C-N 3.28Å; F23-Y80 AromaticContact CD2-CE1 3.68Å; F23-Y80 HydrophobicContact CD2-CE1 3.68Å; F23-Y80 AromaticContact CE2-CE1 3.75Å; F23-Y80 HydrophobicContact CE2-CE1 3.75Å; F23-L81 HydrophobicContact CE1-CD2 4.45Å; F23-L81 HydrophobicContact CE2-CD2 4.14Å; F23-L81 HydrophobicContact CZ-CD2 3.59Å; F23-H84 AromaticContact CD1-CD2 3.65Å; F23-H84 AromaticContact CD1-CE1 3.84Å; F23-H84 AromaticContact CD1-NE2 3.43Å; F23-H84 WeakPolarHBondContact CD1-NE2 3.37Å; F23-H84 AromaticContact CG-CE1 3.93Å; F23-H84 AromaticContact CG-NE2 3.98Å; F23-F111 HydrophobicContact CD1-CD2 4.08Å; F23-F111 HydrophobicContact CD1-CE2 4.4Å; F23-F111 AromaticContact CE1-CD2 3.58Å; F23-F111 HydrophobicContact CE1-CD2 3.58Å; F23-F111 AromaticContact CE1-CE2 3.6Å; F23-F111 HydrophobicContact CE1-CE2 3.6Å; F23-F111 HydrophobicContact CE1-CG 4.41Å; F23-F111 HydrophobicContact CE1-CZ 4.46Å; F23-F111 HydrophobicContact CZ-CE2 4.35Å; F23-A114 HydrophobicContact CD1-CB 3.5Å; F23-A114 HydrophobicContact CE1-CB 3.68Å; F23-A114 HydrophobicContact CG-CB 3.95Å; F23-A114 HydrophobicContact CZ-CB 4.28Å; F23-L118 HydrophobicContact CE2-CB 4.5Å; F23-L118 HydrophobicContact CE2-CD2 3.85Å; F23-L118 HydrophobicContact CZ-CD2 4.02Å
24	R	91.1	Very high	90.6	Very high	172 Å²	172	67.7 Å²	67.7	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.4	165.8	-71.4	174.5	-171.1	175	4.5	113.2	D20 A21 I22 E26	D20-R24 VanDerWaalsContact O-CB 3.31Å; D20-R24 WeakPolarHBondContact O-CB 3.31Å; D20-R24 WeakPolarHBondContact O-CG 3.47Å; D20-R24 PolarHBondContact O-N 3.47Å; A21-R24 PolarHBondContact O-N 3.38Å; I22-R24 VanDerWaalsContact C-N 3.31Å; I22-R24 PolarHBondContact O-N 3.06Å; R24-E26 HydrophobicContact CB-CG 3.93Å; R24-E26 VanDerWaalsContact CD-OE1 3.23Å; R24-E26 WeakPolarHBondContact CD-OE1 3.39Å; R24-E26 IonicContact NH1-OE1 3.21Å; R24-E26 PolarHBondContact O-N 3.31Å
25	L	90.1	Very high	90.6	Very high	59 Å²	59	68.4 Å²	68.4	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	31.2	-176.6	-54.4	177.4	0	0	0	113.2	A21 I22 F23 E110 F113 A114	A21-L25 PolarHBondContact O-N 2.95Å; I22-L25 PolarHBondContact O-N 3.13Å; F23-L25 VanDerWaalsContact C-N 3.28Å; L25-E110 HydrophobicContact CD1-CB 3.75Å; L25-E110 HydrophobicContact CD1-CG 3.53Å; L25-F113 HydrophobicContact CD2-CD1 3.56Å; L25-F113 HydrophobicContact CD2-CE1 4.13Å; L25-A114 HydrophobicContact CD2-CB 4.43Å
26	E	90.1	Very high	90.6	Very high	90 Å²	90	68.4 Å²	68.4	42%	0.421	32%	0.318	S	S	.	.			trans	-69.7	147	174.6	-66	175.7	-162.6	0	0	110.1	A21 R24 I28	A21-E26 HydrophobicContact CB-CB 4.17Å; A21-E26 WeakPolarHBondContact O-CB 3.41Å; A21-E26 PolarHBondContact O-N 3.35Å; R24-E26 HydrophobicContact CB-CG 3.93Å; R24-E26 VanDerWaalsContact CD-OE1 3.23Å; R24-E26 WeakPolarHBondContact CD-OE1 3.39Å; R24-E26 IonicContact NH1-OE1 3.21Å; R24-E26 PolarHBondContact O-N 3.31Å; E26-I28 PolarHBondContact O-N 3.41Å; E26-I28 VanDerWaalsContact O-N 3.07Å
27	T	87.2	Confident	90.5	Very high	114 Å²	114	66 Å²	66	70%	0.699	31%	0.308	S	S	*	.			trans	-71.6	106.8	-179.3	-53.9	0	0	0	0	112.2	L224	T27-L224 HydrophobicContact CG2-CD2 4.05Å
28	I	85.9	Confident	90.5	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.072	30%	0.304	C	S	.	.			trans	-90.8	113.6	179.1	-61.3	173.2	0	0	0	110.8	A21 I22 E26 R32	A21-I28 HydrophobicContact CB-CD1 4.38Å; I22-I28 HydrophobicContact CB-CD1 4.22Å; I22-I28 HydrophobicContact CD1-CD1 4.29Å; I22-I28 HydrophobicContact CG1-CD1 3.23Å; E26-I28 PolarHBondContact O-N 3.41Å; E26-I28 VanDerWaalsContact O-N 3.07Å; I28-R32 HydrophobicContact CG2-CB 3.97Å; I28-R32 HydrophobicContact CG2-CG 4.05Å
29	K	88.3	Confident	90.3	Very high	167 Å²	167	68.2 Å²	68.2	73%	0.726	32%	0.315	S	S	*	.			trans	-63.7	149.1	173.2	-65.2	-180	-178.4	175.3	0	110.8	K31 R32 Y33	K29-K31 PolarHBondContact O-N 3.21Å; K29-K31 VanDerWaalsContact O-N 3.1Å; K29-R32 PolarHBondContact O-N 3.34Å; K29-Y33 PolarHBondContact O-N 3.14Å
30	R	88.3	Confident	90	Very high	147 Å²	147	68.2 Å²	68.2	56%	0.555	31%	0.314	S	S	*	.	H	α-helix	trans	-48.3	-41.9	176.3	-176.8	179	-74.5	-178.2	-4.9	113.3	R32 Y33 M34 M225	R30-R32 PolarHBondContact O-N 3.34Å; R30-Y33 PolarHBondContact O-N 3.46Å; R30-M34 HydrophobicContact CG-CE 4.47Å; R30-M34 HydrophobicContact CG-CG 4.29Å; R30-M34 WeakPolarHBondContact O-CB 3.37Å; R30-M34 VanDerWaalsContact O-CG 3.22Å; R30-M34 WeakPolarHBondContact O-CG 3.11Å; R30-M34 PolarHBondContact O-N 2.83Å; R30-M225 VanDerWaalsContact CA-CE 3.41Å; R30-M225 HydrophobicContact CB-CE 3.46Å; R30-M225 VanDerWaalsContact CB-CE 3.46Å; R30-M225 HydrophobicContact CB-SD 3.94Å; R30-M225 HydrophobicContact CG-CE 3.75Å; R30-M225 HydrophobicContact CG-SD 4.25Å
31	K	89.1	Confident	89.7	Confident	159 Å²	159	70.7 Å²	70.7	69%	0.691	32%	0.321	S	S	*	.	H	α-helix	trans	-56.7	-50.1	177	-169.5	-173.8	175.6	-174	0	111.6	K29 M34 E35	K29-K31 PolarHBondContact O-N 3.21Å; K29-K31 VanDerWaalsContact O-N 3.1Å; K31-M34 PolarHBondContact O-N 3.39Å; K31-E35 VanDerWaalsContact CE-OE1 3.24Å; K31-E35 WeakPolarHBondContact CE-OE1 3.13Å; K31-E35 WeakPolarHBondContact CG-OE1 3.38Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.87Å
32	R	90.9	Very high	89.4	Confident	61 Å²	61	74 Å²	74	23%	0.23	34%	0.337	C	S	.	.	H	α-helix	trans	-66.9	-40.6	-179.8	-177.4	56.9	174.9	162.6	1	112.6	D14 I28 K29 R30 M34 E35 L36	D14-R32 PolarHBondContact O-NH2 3.45Å; D14-R32 IonicContact OD1-CZ 3.87Å; D14-R32 IonicContact OD1-NH1 3.05Å; D14-R32 PolarHBondContact OD1-NH1 3.33Å; D14-R32 IonicContact OD1-NH2 3.31Å; D14-R32 PolarHBondContact OD1-NH2 3.43Å; D14-R32 IonicContact OD2-CZ 2.8Å; D14-R32 IonicContact OD2-NH1 2.84Å; D14-R32 PolarHBondContact OD2-NH1 3.46Å; D14-R32 IonicContact OD2-NH2 3.44Å; D14-R32 PolarHBondContact OD2-NH2 3.35Å; I28-R32 HydrophobicContact CG2-CB 3.97Å; I28-R32 HydrophobicContact CG2-CG 4.05Å; K29-R32 PolarHBondContact O-N 3.34Å; R30-R32 PolarHBondContact O-N 3.34Å; R32-M34 VanDerWaalsContact C-N 3.3Å; R32-M34 PolarHBondContact O-N 2.99Å; R32-E35 WeakPolarHBondContact CD-OE2 3.2Å; R32-E35 IonicContact NH1-OE2 3.54Å; R32-E35 PolarHBondContact NH1-OE2 3.16Å; R32-E35 WeakPolarHBondContact O-CB 3.34Å; R32-E35 PolarHBondContact O-N 3.47Å; R32-L36 WeakPolarHBondContact O-CG 3.5Å; R32-L36 PolarHBondContact O-N 3.03Å
33	Y	91.4	Very high	88.9	Confident	50 Å²	50	74 Å²	74	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-44.9	173.1	179.4	-83.4	0	0	0	111.4	K29 R30 L36 H37 V117 G120 V121	K29-Y33 PolarHBondContact O-N 3.14Å; R30-Y33 PolarHBondContact O-N 3.46Å; Y33-L36 PolarHBondContact O-N 2.86Å; Y33-H37 PolarHBondContact O-N 3.31Å; Y33-V117 HydrophobicContact CD2-CG1 4.42Å; Y33-V117 HydrophobicContact CE2-CG1 4.23Å; Y33-G120 VanDerWaalsContact OH-CA 3.27Å; Y33-G120 WeakPolarHBondContact OH-CA 3.43Å; Y33-G120 PolarHBondContact OH-O 3.03Å; Y33-V121 HydrophobicContact CD2-CG2 3.65Å; Y33-V121 HydrophobicContact CE2-CG2 3.41Å; Y33-V121 VanDerWaalsContact CE2-CG2 3.41Å; Y33-V121 HydrophobicContact CG-CG2 4.45Å; Y33-V121 PolarHBondContact OH-N 2.84Å
34	M	90.4	Very high	88.3	Confident	91 Å²	91	73.3 Å²	73.3	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-68.6	-35.4	178.4	-67.8	-63.7	159.6	0	0	112.3	R30 K31 R32 H37 T38	R30-M34 HydrophobicContact CG-CE 4.47Å; R30-M34 HydrophobicContact CG-CG 4.29Å; R30-M34 WeakPolarHBondContact O-CB 3.37Å; R30-M34 VanDerWaalsContact O-CG 3.22Å; R30-M34 WeakPolarHBondContact O-CG 3.11Å; R30-M34 PolarHBondContact O-N 2.83Å; K31-M34 PolarHBondContact O-N 3.39Å; R32-M34 VanDerWaalsContact C-N 3.3Å; R32-M34 PolarHBondContact O-N 2.99Å; M34-H37 PolarHBondContact O-N 2.73Å; M34-T38 VanDerWaalsContact O-CB 3.23Å; M34-T38 WeakPolarHBondContact O-CB 3.45Å; M34-T38 PolarHBondContact O-N 3.15Å; M34-T38 PolarHBondContact O-OG1 3.47Å
35	E	90.6	Very high	87.9	Confident	66 Å²	66	67.2 Å²	67.2	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-50.7	171.7	-73	162.6	-171	0	0	110.6	K31 R32 H37 T38 H39	K31-E35 VanDerWaalsContact CE-OE1 3.24Å; K31-E35 WeakPolarHBondContact CE-OE1 3.13Å; K31-E35 WeakPolarHBondContact CG-OE1 3.38Å; K31-E35 WeakPolarHBondContact O-CG 3.49Å; K31-E35 PolarHBondContact O-N 2.87Å; R32-E35 WeakPolarHBondContact CD-OE2 3.2Å; R32-E35 IonicContact NH1-OE2 3.54Å; R32-E35 PolarHBondContact NH1-OE2 3.16Å; R32-E35 WeakPolarHBondContact O-CB 3.34Å; R32-E35 PolarHBondContact O-N 3.47Å; E35-H37 PolarHBondContact O-N 2.81Å; E35-T38 WeakPolarHBondContact O-CB 3.38Å; E35-T38 PolarHBondContact O-N 2.58Å; E35-T38 VanDerWaalsContact O-N 3.14Å; E35-H39 PolarHBondContact O-CD2 2.87Å; E35-H39 PolarHBondContact O-N 2.65Å
36	L	90.7	Very high	86.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-44.6	178	-63.6	172.7	0	0	0	112.1	L15 R32 Y33 T38 H39 V40 V121	L15-L36 HydrophobicContact CD2-CB 4.41Å; L15-L36 HydrophobicContact CD2-CD2 4.08Å; R32-L36 WeakPolarHBondContact O-CG 3.5Å; R32-L36 PolarHBondContact O-N 3.03Å; Y33-L36 PolarHBondContact O-N 2.86Å; L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.19Å; L36-H39 WeakPolarHBondContact O-CB 3.49Å; L36-H39 PolarHBondContact O-N 2.71Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.36Å; L36-V121 HydrophobicContact CB-CG1 3.64Å
37	H	90.4	Very high	85.2	Confident	43 Å²	43	66.1 Å²	66.1	20%	0.199	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-38.7	175.6	-178.2	-81.7	0	0	0	111.8	Y33 M34 E35 H39 V40 Y41 V121	Y33-H37 PolarHBondContact O-N 3.31Å; M34-H37 PolarHBondContact O-N 2.73Å; E35-H37 PolarHBondContact O-N 2.81Å; H37-H39 VanDerWaalsContact C-N 3.35Å; H37-V40 PolarHBondContact O-N 2.87Å; H37-Y41 WeakPolarHBondContact O-CB 3.49Å; H37-Y41 PolarHBondContact O-N 2.77Å; H37-V121 PolarHBondContact CD2-O 3.03Å
38	T	89.2	Confident	83.5	Confident	62 Å²	62	63.4 Å²	63.4	38%	0.38	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-36.8	176.9	-57.2	0	0	0	0	111.2	M34 E35 L36 Y41 N42	M34-T38 VanDerWaalsContact O-CB 3.23Å; M34-T38 WeakPolarHBondContact O-CB 3.45Å; M34-T38 PolarHBondContact O-N 3.15Å; M34-T38 PolarHBondContact O-OG1 3.47Å; E35-T38 WeakPolarHBondContact O-CB 3.38Å; E35-T38 PolarHBondContact O-N 2.58Å; E35-T38 VanDerWaalsContact O-N 3.14Å; L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.19Å; T38-Y41 PolarHBondContact O-N 2.96Å; T38-N42 VanDerWaalsContact O-CB 3.31Å; T38-N42 WeakPolarHBondContact O-CB 3.33Å; T38-N42 PolarHBondContact O-N 3.45Å; T38-N42 PolarHBondContact O-ND2 3.43Å
39	H	88.2	Confident	81.5	Confident	55 Å²	55	67.9 Å²	67.9	26%	0.255	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-44.3	172.2	-78.3	-56.5	0	0	0	112.2	V11 D14 L15 E35 L36 H37 Y43	V11-H39 HydrophobicContact CG1-CB 3.56Å; V11-H39 WeakPolarHBondContact CG1-ND1 3.33Å; D14-H39 IonicContact OD2-CD2 3.27Å; D14-H39 IonicContact OD2-NE2 3.67Å; D14-H39 PolarHBondContact OD2-NE2 2.91Å; L15-H39 HydrophobicContact CD1-CB 4.44Å; L15-H39 HydrophobicContact CD2-CB 3.76Å; L15-H39 HydrophobicContact CG-CB 4.08Å; E35-H39 PolarHBondContact O-CD2 2.87Å; E35-H39 PolarHBondContact O-N 2.65Å; L36-H39 WeakPolarHBondContact O-CB 3.49Å; L36-H39 PolarHBondContact O-N 2.71Å; H37-H39 VanDerWaalsContact C-N 3.35Å; H39-Y43 WeakPolarHBondContact O-CB 3.15Å; H39-Y43 PolarHBondContact O-N 3Å; H39-Y43 VanDerWaalsContact O-N 3.08Å
40	V	87	Confident	79.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-45.8	173.3	175.5	0	0	0	0	110.7	L15 L36 H37 Y43 C44 L73 V121 L125	L15-V40 HydrophobicContact CD2-CG2 4.03Å; L36-V40 WeakPolarHBondContact O-CG2 3.42Å; L36-V40 PolarHBondContact O-N 3.36Å; H37-V40 PolarHBondContact O-N 2.87Å; V40-Y43 PolarHBondContact O-N 3.31Å; V40-C44 WeakPolarHBondContact O-CB 3.47Å; V40-C44 PolarHBondContact O-N 3.45Å; V40-C44 PolarHBondContact O-SG 3Å; V40-L73 HydrophobicContact CG1-CD2 4.09Å; V40-L73 HydrophobicContact CG2-CD2 4.44Å; V40-V121 HydrophobicContact CG2-CG1 4.35Å; V40-L125 HydrophobicContact CG1-CB 3.88Å
41	Y	86.6	Confident	76.8	Confident	98 Å²	98	65.6 Å²	65.6	38%	0.384	33%	0.333	S	S	.	.	H	α-helix	trans	-58.8	-56.9	178.1	171.2	-96	0	0	0	112	H37 T38 Y43 C44 T45 Y124	H37-Y41 WeakPolarHBondContact O-CB 3.49Å; H37-Y41 PolarHBondContact O-N 2.77Å; T38-Y41 PolarHBondContact O-N 2.96Å; Y41-Y43 PolarHBondContact O-N 3.33Å; Y41-C44 PolarHBondContact O-N 3.36Å; Y41-T45 HydrophobicContact CD2-CG2 4.06Å; Y41-T45 HydrophobicContact CE1-CG2 4.27Å; Y41-T45 HydrophobicContact CE2-CG2 3.66Å; Y41-T45 PolarHBondContact O-N 3.21Å; Y41-T45 PolarHBondContact O-OG1 2.7Å; Y41-Y124 AromaticContact CD2-CD1 3.97Å; Y41-Y124 HydrophobicContact CD2-CD1 3.97Å; Y41-Y124 AromaticContact CD2-CD2 3.55Å; Y41-Y124 HydrophobicContact CD2-CD2 3.55Å; Y41-Y124 AromaticContact CD2-CE1 3.79Å; Y41-Y124 HydrophobicContact CD2-CE1 3.79Å; Y41-Y124 AromaticContact CD2-CE2 3.35Å; Y41-Y124 HydrophobicContact CD2-CE2 3.35Å; Y41-Y124 AromaticContact CD2-CG 3.84Å; Y41-Y124 HydrophobicContact CD2-CG 3.84Å; Y41-Y124 AromaticContact CD2-CZ 3.48Å; Y41-Y124 VanDerWaalsContact CD2-CZ 3.48Å; Y41-Y124 HydrophobicContact CE2-CD2 4.14Å; Y41-Y124 HydrophobicContact CE2-CE1 4.2Å; Y41-Y124 AromaticContact CE2-CE2 3.48Å; Y41-Y124 HydrophobicContact CE2-CE2 3.48Å; Y41-Y124 VanDerWaalsContact CE2-CE2 3.48Å; Y41-Y124 AromaticContact CE2-CZ 3.52Å
42	N	85.1	Confident	74.1	Confident	84 Å²	84	66.2 Å²	66.2	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-37.6	-178.3	-73.3	-13.5	0	0	0	111.8	T38 T45 S46	T38-N42 VanDerWaalsContact O-CB 3.31Å; T38-N42 WeakPolarHBondContact O-CB 3.33Å; T38-N42 PolarHBondContact O-N 3.45Å; T38-N42 PolarHBondContact O-ND2 3.43Å; N42-T45 PolarHBondContact O-OG1 2.95Å; N42-S46 WeakPolarHBondContact O-CB 3.33Å; N42-S46 PolarHBondContact O-N 3.18Å
43	Y	82.8	Confident	71.4	Confident	4 Å²	4	67.3 Å²	67.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-66.6	-49.3	174.7	-175.5	-99.9	0	0	0	111.5	L8 H39 V40 Y41 T45 S46 V69 E72 L73	L8-Y43 HydrophobicContact CB-CD2 4.13Å; L8-Y43 HydrophobicContact CB-CE2 3.46Å; L8-Y43 VanDerWaalsContact CB-CE2 3.46Å; L8-Y43 HydrophobicContact CD1-CD1 4.32Å; L8-Y43 HydrophobicContact CD1-CD2 3.87Å; L8-Y43 HydrophobicContact CD1-CE1 4.19Å; L8-Y43 HydrophobicContact CD1-CE2 3.77Å; L8-Y43 HydrophobicContact CD1-CG 4.14Å; L8-Y43 HydrophobicContact CD2-CE2 4.31Å; L8-Y43 HydrophobicContact CG-CE2 4.01Å; H39-Y43 WeakPolarHBondContact O-CB 3.15Å; H39-Y43 PolarHBondContact O-N 3Å; H39-Y43 VanDerWaalsContact O-N 3.08Å; V40-Y43 PolarHBondContact O-N 3.31Å; Y41-Y43 PolarHBondContact O-N 3.33Å; Y43-T45 VanDerWaalsContact C-N 3.27Å; Y43-T45 PolarHBondContact O-N 2.9Å; Y43-S46 PolarHBondContact O-N 2.85Å; Y43-S46 PolarHBondContact O-OG 3.42Å; Y43-V69 HydrophobicContact CE1-CG1 4.32Å; Y43-E72 PolarHBondContact OH-OE2 3.29Å; Y43-L73 HydrophobicContact CD1-CB 3.67Å; Y43-L73 HydrophobicContact CD1-CD2 3.79Å; Y43-L73 HydrophobicContact CD1-CG 4.3Å; Y43-L73 HydrophobicContact CE1-CB 3.5Å; Y43-L73 HydrophobicContact CE1-CD2 4.49Å
44	C	81.8	Confident	68.7	Low	3 Å²	3	70.8 Å²	70.8	2%	0.02	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-30.3	-179.5	-65.1	0	0	0	0	113.3	V40 Y41 L68 V69 Y124	V40-C44 WeakPolarHBondContact O-CB 3.47Å; V40-C44 PolarHBondContact O-N 3.45Å; V40-C44 PolarHBondContact O-SG 3Å; Y41-C44 PolarHBondContact O-N 3.36Å; C44-L68 WeakPolarHBondContact O-CD2 3.47Å; C44-V69 WeakPolarHBondContact CA-O 3.29Å; C44-Y124 HydrophobicContact CB-CD1 3.64Å; C44-Y124 HydrophobicContact CB-CE1 3.71Å
45	T	80.9	Confident	66	Low	45 Å²	45	72.8 Å²	72.8	28%	0.276	41%	0.406	S	S	.	.	H	α-helix	trans	-93.8	-4.3	178.7	58.2	0	0	0	0	114.2	Y41 N42 Y43 V47 Y124	Y41-T45 HydrophobicContact CD2-CG2 4.06Å; Y41-T45 HydrophobicContact CE1-CG2 4.27Å; Y41-T45 HydrophobicContact CE2-CG2 3.66Å; Y41-T45 PolarHBondContact O-N 3.21Å; Y41-T45 PolarHBondContact O-OG1 2.7Å; N42-T45 PolarHBondContact O-OG1 2.95Å; Y43-T45 VanDerWaalsContact C-N 3.27Å; Y43-T45 PolarHBondContact O-N 2.9Å; T45-V47 PolarHBondContact O-N 2.83Å; T45-Y124 HydrophobicContact CG2-CE1 3.74Å; T45-Y124 VanDerWaalsContact CG2-OH 3.26Å; T45-Y124 WeakPolarHBondContact CG2-OH 3.44Å
46	S	71	Confident	63.3	Low	29 Å²	29	75.1 Å²	75.1	20%	0.203	43%	0.43	C	S	.	.			trans	-64.4	107.1	176.8	65.6	0	0	0	0	110.3	N42 Y43 D48	N42-S46 WeakPolarHBondContact O-CB 3.33Å; N42-S46 PolarHBondContact O-N 3.18Å; Y43-S46 PolarHBondContact O-N 2.85Å; Y43-S46 PolarHBondContact O-OG 3.42Å; S46-D48 PolarHBondContact O-N 3.16Å
47	V	53.6	Low	60.4	Low	97 Å²	97	87 Å²	87	59%	0.588	47%	0.474	S	S	*	.			trans	-71.7	120.5	179.3	-173.6	0	0	0	0	108.1	T45 P49	T45-V47 PolarHBondContact O-N 2.83Å; V47-P49 WeakPolarHBondContact O-CD 3.3Å
48	D	51.7	Low	57.6	Low	56 Å²	56	90.2 Å²	90.2	30%	0.299	50%	0.502	S	S	.	.			trans	-63.7	113.7	169.8	-147.7	-2.3	0	0	0	106.4	M1 S46 K50	M1-D48 PolarHBondContact N-OD2 3.24Å; S46-D48 PolarHBondContact O-N 3.16Å; D48-K50 PolarHBondContact O-N 2.66Å
49	P	42.8	Very low	54.7	Low	108 Å²	108	91.5 Å²	91.5	70%	0.701	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	17.2	-164.8	24.2	-31.8	0	0	0	115.3	V47	V47-P49 WeakPolarHBondContact O-CD 3.3Å
50	K	42.3	Very low	52	Low	196 Å²	196	96.4 Å²	96.4	85%	0.852	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	5.9	179	-69.4	-169.8	175.9	-173.8	0	115	D48	D48-K50 PolarHBondContact O-N 2.66Å
51	S	36.5	Very low	49.1	Very low	70 Å²	70	105.2 Å²	105.2	49%	0.49	59%	0.587	S	S	.	*			trans	-97.7	5.9	178.8	68.2	0	0	0	0	115.8
52	H	32.2	Very low	46.5	Very low	173 Å²	173	107.2 Å²	107.2	80%	0.801	61%	0.609	S	S	*	*			trans	-102.5	73.3	171.8	-75.4	-58.5	0	0	0	111.7
53	A	34.6	Very low	44	Very low	84 Å²	84	112 Å²	112	69%	0.694	63%	0.629	S	S	*	*			trans	-159.6	112.3	159.3	0	0	0	0	0	104.4
54	T	34.1	Very low	41.8	Very low	122 Å²	122	118.2 Å²	118.2	75%	0.748	67%	0.67	S	S	*	*			cis	-165.7	142.7	38.3	14.6	0	0	0	0	107.6	S56	T54-S56 PolarHBondContact O-N 3.29Å
55	P	34.7	Very low	39.6	Very low	133 Å²	133	121.9 Å²	121.9	86%	0.864	71%	0.708	S	S	*	*			trans	-79.8	120.4	-177.8	31.3	-30.1	0	0	0	110.5
56	S	33.7	Very low	37.9	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	72%	0.719	S	S	*	*			trans	-114.9	117.6	171.4	-51.7	0	0	0	0	108.8	T54 S58	T54-S56 PolarHBondContact O-N 3.29Å; S56-S58 PolarHBondContact O-N 2.94Å
57	R	30.1	Very low	37	Very low	249 Å²	249	129 Å²	129	94%	0.94	75%	0.745	S	S	*	*			trans	-50.1	124.6	176	-77.5	167.9	154.2	166	-7.5	112.1
58	S	30.6	Very low	37.1	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	73%	0.732	S	S	*	*				162.9	122.2	126.1	55	0	0	0	0	112.3	S56	S56-S58 PolarHBondContact O-N 2.94Å
59	A	28.6	Very low	38	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	73%	0.725	S	S	*	*			trans	61.2	115.3	146.4	0	0	0	0	0	121.6
60	I	30.7	Very low	39.8	Very low	158 Å²	158	120.6 Å²	120.6	81%	0.81	69%	0.692	S	S	*	*			trans	83.9	124.1	141	-55.7	164.6	0	0	0	117.9
61	E	27.6	Very low	41.8	Very low	185 Å²	185	117 Å²	117	86%	0.864	68%	0.677	S	S	*	*			trans	-31.9	120.4	-177.9	-64.5	170.3	165.6	0	0	117.3
62	T	31.3	Very low	44.1	Very low	140 Å²	140	116.4 Å²	116.4	86%	0.859	67%	0.666	S	S	*	*			trans	-155.9	137.8	149.4	10.2	0	0	0	0	108.2
63	E	31.8	Very low	46.8	Very low	185 Å²	185	108.2 Å²	108.2	86%	0.864	63%	0.629	S	S	*	*			trans	-50.9	153.2	-166.1	-69	-176.2	145.1	0	0	116.9	G65	E63-G65 PolarHBondContact O-N 3.44Å
64	P	36.2	Very low	49.4	Very low	134 Å²	134	104.4 Å²	104.4	87%	0.87	60%	0.596	S	S	*	*			trans	-75.2	97.9	-172	29.5	-33	0	0	0	113.3	G66	P64-G66 PolarHBondContact O-N 3.29Å; P64-G66 VanDerWaalsContact O-N 3.11Å
65	G	36.6	Very low	52.1	Low	79 Å²	79	104.2 Å²	104.2	81%	0.814	59%	0.585	S	S	*	*			trans	-79	77.2	175	0	0	0	0	0	114.3	E63	E63-G65 PolarHBondContact O-N 3.44Å
66	G	46.1	Very low	54.7	Low	50 Å²	50	100.9 Å²	100.9	52%	0.515	56%	0.557	S	S	.	*			trans	-63.2	133.2	163	0	0	0	0	0	110.8	P64 L68	P64-G66 PolarHBondContact O-N 3.29Å; P64-G66 VanDerWaalsContact O-N 3.11Å; G66-L68 PolarHBondContact O-N 3.48Å
67	K	50.2	Low	57.5	Low	173 Å²	173	95.5 Å²	95.5	75%	0.752	52%	0.519	S	S	*	.			trans	-63.6	92.2	174.2	-92.2	-179	175.2	174.6	0	110.1
68	L	55.7	Low	60.5	Low	58 Å²	58	87.7 Å²	87.7	30%	0.304	49%	0.489	S	S	.	.			trans	-63.8	129.9	174.8	-71.7	146.1	0	0	0	111.1	C44 G66 H128	C44-L68 WeakPolarHBondContact O-CD2 3.47Å; G66-L68 PolarHBondContact O-N 3.48Å; L68-H128 HydrophobicContact CD1-CB 4.36Å; L68-H128 HydrophobicContact CD2-CB 4.46Å
69	V	71	Confident	63.5	Low	27 Å²	27	86.6 Å²	86.6	16%	0.164	48%	0.475	C	S	.	.			trans	-97.2	104.4	-178.4	-172.2	0	0	0	0	109.3	Y43 C44	Y43-V69 HydrophobicContact CE1-CG1 4.32Å; C44-V69 WeakPolarHBondContact CA-O 3.29Å
70	G	80.6	Confident	66.7	Low	1 Å²	1	83.2 Å²	83.2	1%	0.01	44%	0.443	C	S	.	.			trans	-135.6	-13.4	178.2	0	0	0	0	0	115.8	E72 L73 Y74	G70-E72 PolarHBondContact O-N 3.15Å; G70-L73 PolarHBondContact O-N 2.96Å; G70-Y74 WeakPolarHBondContact O-CB 3.16Å; G70-Y74 PolarHBondContact O-N 3.34Å
71	F	84.2	Confident	69.8	Low	119 Å²	119	75.7 Å²	75.7	52%	0.522	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-45.4	-172.5	177.8	-104.3	0	0	0	113.8	Y74 K75 W129	F71-Y74 PolarHBondContact O-N 2.88Å; F71-K75 HydrophobicContact CE1-CD 4.36Å; F71-K75 WeakPolarHBondContact O-CB 3.35Å; F71-K75 PolarHBondContact O-N 2.65Å; F71-W129 HydrophobicContact CB-CH2 4.33Å; F71-W129 HydrophobicContact CB-CZ2 3.63Å; F71-W129 HydrophobicContact CD2-CH2 4.17Å; F71-W129 HydrophobicContact CD2-CZ2 4.06Å; F71-W129 HydrophobicContact CG-CZ2 4.36Å
72	E	85.5	Confident	73	Confident	58 Å²	58	71.9 Å²	71.9	27%	0.271	39%	0.385	S	S	.	.	H	α-helix	trans	-69.4	-40.9	-177	-60.3	-175.3	165.7	0	0	112	T5 L8 Y43 G70 K75 K76	T5-E72 WeakPolarHBondContact CG2-OE1 3.42Å; T5-E72 VanDerWaalsContact CG2-OE2 3.3Å; T5-E72 WeakPolarHBondContact CG2-OE2 3.03Å; L8-E72 HydrophobicContact CD2-CB 3.54Å; Y43-E72 PolarHBondContact OH-OE2 3.29Å; G70-E72 PolarHBondContact O-N 3.15Å; E72-K75 PolarHBondContact O-N 3.02Å; E72-K76 WeakPolarHBondContact O-CG 3.4Å; E72-K76 PolarHBondContact O-N 3.27Å
73	L	88	Confident	76	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-46.5	173.9	177.4	62.9	0	0	0	110.5	L8 W12 L15 V40 Y43 G70 K75 K76 L77 L125	L8-L73 HydrophobicContact CD1-CB 4.2Å; L8-L73 HydrophobicContact CD1-CD1 3.93Å; W12-L73 HydrophobicContact CE3-CD1 3.8Å; W12-L73 HydrophobicContact CZ3-CD1 3.64Å; L15-L73 HydrophobicContact CD1-CD1 3.84Å; V40-L73 HydrophobicContact CG1-CD2 4.09Å; V40-L73 HydrophobicContact CG2-CD2 4.44Å; Y43-L73 HydrophobicContact CD1-CB 3.67Å; Y43-L73 HydrophobicContact CD1-CD2 3.79Å; Y43-L73 HydrophobicContact CD1-CG 4.3Å; Y43-L73 HydrophobicContact CE1-CB 3.5Å; Y43-L73 HydrophobicContact CE1-CD2 4.49Å; G70-L73 PolarHBondContact O-N 2.96Å; L73-K75 PolarHBondContact O-N 2.88Å; L73-K76 PolarHBondContact O-N 3.01Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.42Å; L73-L125 HydrophobicContact CD2-CD1 4.44Å; L73-L125 HydrophobicContact CD2-CD2 4.32Å; L73-L125 HydrophobicContact CG-CD2 4.42Å
74	Y	90.5	Very high	79	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-40.6	176.9	-171.1	-98.8	0	0	0	112.6	G70 F71 L77 R78 L125 W129 V130 V141 Y142 L147	G70-Y74 WeakPolarHBondContact O-CB 3.16Å; G70-Y74 PolarHBondContact O-N 3.34Å; F71-Y74 PolarHBondContact O-N 2.88Å; Y74-L77 PolarHBondContact O-N 3.28Å; Y74-R78 WeakPolarHBondContact O-CB 3.39Å; Y74-R78 PolarHBondContact O-N 3.48Å; Y74-L125 HydrophobicContact CD2-CD2 4.13Å; Y74-W129 VanDerWaalsContact CB-CZ3 3.47Å; Y74-W129 HydrophobicContact CD1-CH2 4.03Å; Y74-W129 AromaticContact CD1-CZ3 3.76Å; Y74-W129 HydrophobicContact CD1-CZ3 3.76Å; Y74-W129 HydrophobicContact CD2-CE3 4.34Å; Y74-W129 AromaticContact CD2-CZ3 3.75Å; Y74-W129 HydrophobicContact CD2-CZ3 3.75Å; Y74-W129 HydrophobicContact CE1-CZ3 4.42Å; Y74-W129 HydrophobicContact CE2-CZ3 4.44Å; Y74-W129 HydrophobicContact CG-CE3 4.25Å; Y74-W129 HydrophobicContact CG-CH2 4.01Å; Y74-W129 AromaticContact CG-CZ3 3.38Å; Y74-W129 HydrophobicContact CG-CZ3 3.38Å; Y74-V130 HydrophobicContact CD2-CG2 4.09Å; Y74-V130 HydrophobicContact CE2-CG2 3.97Å; Y74-V141 HydrophobicContact CE1-CG1 4.26Å; Y74-Y142 WeakPolarHBondContact CE2-O 3.35Å; Y74-Y142 PolarHBondContact OH-N 2.94Å; Y74-Y142 PolarHBondContact OH-O 3.02Å; Y74-L147 HydrophobicContact CE1-CD2 4.46Å; Y74-L147 HydrophobicContact CE2-CD2 4Å
75	K	89.9	Confident	81.8	Confident	118 Å²	118	55 Å²	55	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.3	-176.8	179.8	179.2	-178.6	0	111.6	F71 E72 L73 R78 N79	F71-K75 HydrophobicContact CE1-CD 4.36Å; F71-K75 WeakPolarHBondContact O-CB 3.35Å; F71-K75 PolarHBondContact O-N 2.65Å; E72-K75 PolarHBondContact O-N 3.02Å; L73-K75 PolarHBondContact O-N 2.88Å; K75-R78 PolarHBondContact O-N 3.32Å; K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 2.84Å
76	K	90.8	Very high	84.5	Confident	63 Å²	63	55.8 Å²	55.8	27%	0.274	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-40.6	176.2	-75.4	-159.6	178.6	-174.5	0	111.7	L8 W12 E72 L73 N79 Y80	L8-K76 HydrophobicContact CD2-CD 4.01Å; L8-K76 HydrophobicContact CD2-CG 4.45Å; L8-K76 HydrophobicContact CG-CD 4.34Å; W12-K76 HydrophobicContact CB-CD 4.16Å; W12-K76 VanDerWaalsContact CB-NZ 3.34Å; W12-K76 HydrophobicContact CD2-CB 3.94Å; W12-K76 HydrophobicContact CD2-CD 3.3Å; W12-K76 HydrophobicContact CD2-CG 4.28Å; W12-K76 HydrophobicContact CE3-CB 3.84Å; W12-K76 HydrophobicContact CE3-CD 3.77Å; W12-K76 HydrophobicContact CE3-CG 4.48Å; W12-K76 HydrophobicContact CG-CD 3.44Å; W12-K76 VanDerWaalsContact CG-CD 3.44Å; W12-K76 VanDerWaalsContact CG-NZ 3.28Å; W12-K76 VanDerWaalsContact CH2-C 3.42Å; W12-K76 HydrophobicContact CH2-CB 3.49Å; W12-K76 VanDerWaalsContact CH2-CB 3.49Å; W12-K76 HydrophobicContact CZ2-CB 3.59Å; W12-K76 HydrophobicContact CZ2-CD 4.28Å; W12-K76 HydrophobicContact CZ3-CB 3.62Å; W12-K76 HydrophobicContact CZ3-CD 4.43Å; E72-K76 WeakPolarHBondContact O-CG 3.4Å; E72-K76 PolarHBondContact O-N 3.27Å; L73-K76 PolarHBondContact O-N 3.01Å; K76-N79 PolarHBondContact O-N 2.9Å; K76-Y80 WeakPolarHBondContact O-CB 3.47Å; K76-Y80 PolarHBondContact O-N 2.93Å
77	L	92.4	Very high	86.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-44.6	175.5	-173.4	66.4	0	0	0	112.5	F19 L73 Y74 N79 Y80 L81 L118 V144	F19-L77 HydrophobicContact CD2-CD1 4.15Å; F19-L77 HydrophobicContact CE2-CD1 3.67Å; F19-L77 HydrophobicContact CZ-CD1 4.13Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 PolarHBondContact O-N 3.42Å; Y74-L77 PolarHBondContact O-N 3.28Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.17Å; L77-Y80 WeakPolarHBondContact O-CB 3.49Å; L77-Y80 PolarHBondContact O-N 2.99Å; L77-L81 HydrophobicContact CG-CD1 4.49Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 2.76Å; L77-L118 HydrophobicContact CD1-CD1 4.05Å; L77-L118 HydrophobicContact CD1-CD2 3.99Å; L77-L118 HydrophobicContact CD1-CG 4.33Å; L77-V144 HydrophobicContact CD2-CB 4.22Å; L77-V144 HydrophobicContact CD2-CG1 3.77Å; L77-V144 HydrophobicContact CD2-CG2 3.39Å
78	R	92.7	Very high	88.9	Confident	85 Å²	85	48.7 Å²	48.7	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-47.6	172.8	177.9	-176.7	-62.8	-164.8	-5	111.8	Y74 K75 Y80 L81 K82 N140 L147	Y74-R78 WeakPolarHBondContact O-CB 3.39Å; Y74-R78 PolarHBondContact O-N 3.48Å; K75-R78 PolarHBondContact O-N 3.32Å; R78-Y80 VanDerWaalsContact C-N 3.3Å; R78-Y80 PolarHBondContact O-N 2.94Å; R78-L81 PolarHBondContact O-N 2.86Å; R78-K82 WeakPolarHBondContact O-CB 3.46Å; R78-K82 PolarHBondContact O-N 2.6Å; R78-N140 PolarHBondContact NH2-O 3.06Å; R78-L147 HydrophobicContact CB-CD2 4.11Å; R78-L147 HydrophobicContact CG-CD1 4.28Å
79	N	94.2	Very high	90.7	Very high	90 Å²	90	48.9 Å²	48.9	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-38.1	179.7	-70.6	-13.6	0	0	0	111.7	K75 K76 L77 K82 A83	K75-N79 VanDerWaalsContact O-CG 3.29Å; K75-N79 PolarHBondContact O-N 2.84Å; K76-N79 PolarHBondContact O-N 2.9Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.17Å; N79-K82 PolarHBondContact O-N 3.16Å; N79-A83 WeakPolarHBondContact O-CB 3.4Å; N79-A83 PolarHBondContact O-N 3.11Å
80	Y	95.3	Very high	91.7	Very high	18 Å²	18	52.6 Å²	52.6	7%	0.071	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-54	174.7	177	-90.5	0	0	0	111.7	K16 F19 D20 F23 K76 L77 R78 K82 A83 H84	K16-Y80 HydrophobicContact CG-CD2 4.09Å; K16-Y80 HydrophobicContact CG-CE2 4.05Å; F19-Y80 HydrophobicContact CB-CD1 4.32Å; F19-Y80 HydrophobicContact CB-CE1 3.7Å; F19-Y80 HydrophobicContact CB-CE2 4.1Å; F19-Y80 HydrophobicContact CD2-CD1 4.39Å; F19-Y80 PolarHBondContact O-OH 3.48Å; D20-Y80 VanDerWaalsContact CA-OH 3.29Å; D20-Y80 WeakPolarHBondContact CA-OH 3.36Å; D20-Y80 PolarHBondContact N-OH 3.07Å; D20-Y80 VanDerWaalsContact N-OH 3.15Å; D20-Y80 WeakPolarHBondContact OD1-CE2 3.12Å; D20-Y80 PolarHBondContact OD1-OH 3.07Å; F23-Y80 AromaticContact CD2-CE1 3.68Å; F23-Y80 HydrophobicContact CD2-CE1 3.68Å; F23-Y80 AromaticContact CE2-CE1 3.75Å; F23-Y80 HydrophobicContact CE2-CE1 3.75Å; K76-Y80 WeakPolarHBondContact O-CB 3.47Å; K76-Y80 PolarHBondContact O-N 2.93Å; L77-Y80 WeakPolarHBondContact O-CB 3.49Å; L77-Y80 PolarHBondContact O-N 2.99Å; R78-Y80 VanDerWaalsContact C-N 3.3Å; R78-Y80 PolarHBondContact O-N 2.94Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.45Å; Y80-A83 PolarHBondContact O-N 3.06Å; Y80-H84 PolarHBondContact O-N 3.22Å
81	L	95.5	Very high	92.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-44.5	177.6	-74	169.5	0	0	0	111	F23 L77 R78 A83 H84 V85 L118 L147 A148 T151	F23-L81 HydrophobicContact CE1-CD2 4.45Å; F23-L81 HydrophobicContact CE2-CD2 4.14Å; F23-L81 HydrophobicContact CZ-CD2 3.59Å; L77-L81 HydrophobicContact CG-CD1 4.49Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 2.76Å; R78-L81 PolarHBondContact O-N 2.86Å; L81-A83 PolarHBondContact O-N 2.8Å; L81-H84 PolarHBondContact O-N 3.05Å; L81-V85 WeakPolarHBondContact O-CB 3.49Å; L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.26Å; L81-V85 PolarHBondContact O-N 3.23Å; L81-L118 HydrophobicContact CD1-CD2 4.43Å; L81-L118 HydrophobicContact CD2-CD2 3.8Å; L81-L118 HydrophobicContact CG-CD2 4.33Å; L81-L147 HydrophobicContact CD1-CD2 3.9Å; L81-L147 HydrophobicContact CD1-CG 3.94Å; L81-A148 HydrophobicContact CD1-CB 4.1Å; L81-A148 HydrophobicContact CD2-CB 4.05Å; L81-T151 HydrophobicContact CB-CG2 4.18Å
82	K	94.8	Very high	92.4	Very high	105 Å²	105	53.7 Å²	53.7	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-44	178.2	-174.2	173.1	-179	177.2	0	112.3	R78 N79 Y80 H86 T151 H155	R78-K82 WeakPolarHBondContact O-CB 3.46Å; R78-K82 PolarHBondContact O-N 2.6Å; N79-K82 PolarHBondContact O-N 3.16Å; Y80-K82 VanDerWaalsContact C-N 3.29Å; Y80-K82 PolarHBondContact O-N 3.45Å; K82-H86 WeakPolarHBondContact O-CB 3.46Å; K82-H86 PolarHBondContact O-N 3.18Å; K82-T151 HydrophobicContact CB-CG2 4.26Å; K82-H155 WeakPolarHBondContact CE-NE2 3.38Å
83	A	94.3	Very high	92.7	Very high	63 Å²	63	54 Å²	54	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-42	177.1	0	0	0	0	0	111.8	N79 Y80 L81 H86 S87	N79-A83 WeakPolarHBondContact O-CB 3.4Å; N79-A83 PolarHBondContact O-N 3.11Å; Y80-A83 PolarHBondContact O-N 3.06Å; L81-A83 PolarHBondContact O-N 2.8Å; A83-H86 PolarHBondContact O-N 3.41Å; A83-S87 PolarHBondContact O-N 3.26Å
84	H	94.5	Very high	92.8	Very high	41 Å²	41	61.6 Å²	61.6	19%	0.19	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-50.5	176.6	-177.1	80.8	0	0	0	111.7	F23 Y80 L81 H86 S87 L88 F111	F23-H84 AromaticContact CD1-CD2 3.65Å; F23-H84 AromaticContact CD1-CE1 3.84Å; F23-H84 AromaticContact CD1-NE2 3.43Å; F23-H84 WeakPolarHBondContact CD1-NE2 3.37Å; F23-H84 AromaticContact CG-CE1 3.93Å; F23-H84 AromaticContact CG-NE2 3.98Å; Y80-H84 PolarHBondContact O-N 3.22Å; L81-H84 PolarHBondContact O-N 3.05Å; H84-H86 VanDerWaalsContact C-N 3.28Å; H84-H86 PolarHBondContact O-N 3.24Å; H84-S87 VanDerWaalsContact O-CB 3.31Å; H84-S87 WeakPolarHBondContact O-CB 3.48Å; H84-S87 PolarHBondContact O-N 3.42Å; H84-L88 PolarHBondContact O-N 3.49Å; H84-F111 AromaticContact CD2-CD2 3.91Å; H84-F111 AromaticContact CD2-CE2 3.95Å
85	V	95.2	Very high	92.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-34.3	178.3	176.6	0	0	0	0	111.6	L81 S87 L88 K89 F111 T151 H155 L156	L81-V85 WeakPolarHBondContact O-CB 3.49Å; L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.26Å; L81-V85 PolarHBondContact O-N 3.23Å; V85-S87 VanDerWaalsContact C-N 3.35Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3Å; V85-K89 PolarHBondContact O-N 2.87Å; V85-F111 HydrophobicContact CG2-CD2 4.46Å; V85-F111 HydrophobicContact CG2-CE2 3.54Å; V85-F111 HydrophobicContact CG2-CZ 3.75Å; V85-T151 HydrophobicContact CB-CG2 4.08Å; V85-T151 HydrophobicContact CG2-CG2 3.82Å; V85-H155 HydrophobicContact CG1-CB 3.73Å; V85-L156 HydrophobicContact CG1-CB 3.66Å
86	H	94.2	Very high	92.8	Very high	95 Å²	95	61.7 Å²	61.7	44%	0.44	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-37	173.2	-167.9	-81.7	0	0	0	112.5	K82 A83 H84 K89 L90	K82-H86 WeakPolarHBondContact O-CB 3.46Å; K82-H86 PolarHBondContact O-N 3.18Å; A83-H86 PolarHBondContact O-N 3.41Å; H84-H86 VanDerWaalsContact C-N 3.28Å; H84-H86 PolarHBondContact O-N 3.24Å; H86-K89 WeakPolarHBondContact O-CB 3.34Å; H86-K89 PolarHBondContact O-N 3.01Å; H86-L90 WeakPolarHBondContact O-CG 3.31Å; H86-L90 PolarHBondContact O-N 3.24Å; H86-L90 VanDerWaalsContact O-N 3.13Å
87	S	93.7	Very high	92.7	Very high	57 Å²	57	62.1 Å²	62.1	40%	0.399	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-41.9	172.4	-178.4	0	0	0	0	111.4	A83 H84 V85 L90 K91	A83-S87 PolarHBondContact O-N 3.26Å; H84-S87 VanDerWaalsContact O-CB 3.31Å; H84-S87 WeakPolarHBondContact O-CB 3.48Å; H84-S87 PolarHBondContact O-N 3.42Å; V85-S87 VanDerWaalsContact C-N 3.35Å; S87-L90 PolarHBondContact O-N 3.08Å; S87-K91 PolarHBondContact O-N 3.25Å
88	L	94.3	Very high	92.6	Very high	17 Å²	17	67.6 Å²	67.6	9%	0.089	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-48.9	172	-64.5	-179.6	0	0	0	110.6	H84 V85 L90 K91 G92 Y103 F111 W152 L156	H84-L88 PolarHBondContact O-N 3.49Å; V85-L88 WeakPolarHBondContact O-CB 3.43Å; V85-L88 PolarHBondContact O-N 3Å; L88-L90 VanDerWaalsContact C-N 3.26Å; L88-L90 PolarHBondContact O-N 3.48Å; L88-K91 WeakPolarHBondContact O-CA 3.45Å; L88-K91 WeakPolarHBondContact O-CB 3.47Å; L88-K91 PolarHBondContact O-N 3.07Å; L88-G92 PolarHBondContact O-N 2.9Å; L88-Y103 PolarHBondContact O-OH 3.14Å; L88-F111 HydrophobicContact CD1-CD2 4.05Å; L88-W152 HydrophobicContact CD1-CE3 4.38Å; L88-W152 HydrophobicContact CD1-CZ3 3.7Å; L88-L156 HydrophobicContact CB-CD1 4.39Å; L88-L156 HydrophobicContact CB-CD2 4.06Å; L88-L156 HydrophobicContact CD1-CD2 4.36Å
89	K	92.6	Very high	92.6	Very high	63 Å²	63	68.9 Å²	68.9	27%	0.274	36%	0.357	S	S	.	.	H	α-helix	trans	-50.4	-45.9	178.9	-174	-160.5	173	-176.8	0	112.2	V85 H86 K91 G92 N93 H155 L156 P159	V85-K89 PolarHBondContact O-N 2.87Å; H86-K89 WeakPolarHBondContact O-CB 3.34Å; H86-K89 PolarHBondContact O-N 3.01Å; K89-K91 VanDerWaalsContact C-N 3.29Å; K89-K91 PolarHBondContact O-N 3.05Å; K89-G92 PolarHBondContact O-N 3Å; K89-G92 VanDerWaalsContact O-N 3.16Å; K89-N93 PolarHBondContact O-N 2.8Å; K89-N93 PolarHBondContact O-OD1 3.49Å; K89-H155 WeakPolarHBondContact CD-O 3.22Å; K89-L156 VanDerWaalsContact CA-CD1 3.44Å; K89-L156 HydrophobicContact CB-CD1 3.98Å; K89-P159 HydrophobicContact CD-CG 4.4Å
90	L	92.7	Very high	92.5	Very high	104 Å²	104	64.8 Å²	64.8	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-35.7	178.7	-68	172.8	0	0	0	113.1	H86 S87 L88 G92	H86-L90 WeakPolarHBondContact O-CG 3.31Å; H86-L90 PolarHBondContact O-N 3.24Å; H86-L90 VanDerWaalsContact O-N 3.13Å; S87-L90 PolarHBondContact O-N 3.08Å; L88-L90 VanDerWaalsContact C-N 3.26Å; L88-L90 PolarHBondContact O-N 3.48Å; L90-G92 VanDerWaalsContact C-N 3.33Å
91	K	90.8	Very high	92.4	Very high	140 Å²	140	64 Å²	64	61%	0.609	33%	0.332	S	S	*	.	H	α-helix	trans	-72.3	-24.8	177.2	-63.1	177.3	-177.6	-178.6	0	113.5	S87 L88 K89 Y103	S87-K91 PolarHBondContact O-N 3.25Å; L88-K91 WeakPolarHBondContact O-CA 3.45Å; L88-K91 WeakPolarHBondContact O-CB 3.47Å; L88-K91 PolarHBondContact O-N 3.07Å; K89-K91 VanDerWaalsContact C-N 3.29Å; K89-K91 PolarHBondContact O-N 3.05Å; K91-Y103 HydrophobicContact CB-CE2 3.88Å
92	G	89.6	Confident	92.3	Very high	3 Å²	3	66.3 Å²	66.3	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-87.2	-10.5	179.4	0	0	0	0	0	114.4	L88 K89 L90 H160	L88-G92 PolarHBondContact O-N 2.9Å; K89-G92 PolarHBondContact O-N 3Å; K89-G92 VanDerWaalsContact O-N 3.16Å; L90-G92 VanDerWaalsContact C-N 3.33Å; G92-H160 PolarHBondContact O-NE2 3.44Å
93	N	91	Very high	92.3	Very high	65 Å²	65	63 Å²	63	35%	0.348	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	142	-178	-73.1	-18.8	0	0	0	111.3	K89 L95 H160	K89-N93 PolarHBondContact O-N 2.8Å; K89-N93 PolarHBondContact O-OD1 3.49Å; N93-L95 PolarHBondContact O-N 3.31Å; N93-L95 VanDerWaalsContact O-N 3.14Å; N93-H160 PolarHBondContact OD1-NE2 3Å
94	N	90.4	Very high	92.3	Very high	161 Å²	161	60.3 Å²	60.3	86%	0.861	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	5.1	176.1	-49.1	-36.3	0	0	0	116.2
95	L	91.6	Very high	92.3	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.209	31%	0.309	C	S	.	.			trans	-67.9	149.2	169	-57.3	-178.4	0	0	0	109.8	N93 E99 T100 Y103	N93-L95 PolarHBondContact O-N 3.31Å; N93-L95 VanDerWaalsContact O-N 3.14Å; L95-E99 HydrophobicContact CB-CB 4.22Å; L95-E99 HydrophobicContact CD2-CB 4.24Å; L95-T100 PolarHBondContact O-OG1 3.11Å; L95-T100 VanDerWaalsContact O-OG1 3.07Å; L95-Y103 HydrophobicContact CD1-CD1 3.91Å; L95-Y103 HydrophobicContact CD1-CD2 3.96Å; L95-Y103 HydrophobicContact CD1-CG 3.46Å; L95-Y103 VanDerWaalsContact CD1-CG 3.46Å
96	V	89.1	Confident	92.2	Very high	84 Å²	84	66.5 Å²	66.5	51%	0.509	34%	0.336	S	S	.	.			trans	-129.5	151.6	177.9	-66.8	0	0	0	0	110.6	E98 E99 T100	V96-E98 PolarHBondContact O-N 2.94Å; V96-E98 VanDerWaalsContact O-N 3.15Å; V96-E99 WeakPolarHBondContact O-CB 3.48Å; V96-E99 PolarHBondContact O-N 3.23Å; V96-T100 VanDerWaalsContact C-OG1 3.31Å; V96-T100 WeakPolarHBondContact CA-OG1 3.48Å; V96-T100 PolarHBondContact N-OG1 2.87Å; V96-T100 PolarHBondContact O-N 2.91Å
97	D	87.9	Confident	92.2	Very high	72 Å²	72	62.3 Å²	62.3	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	44	-115.4	169.3	-61.3	-37.5	0	0	0	114.6	E99 T100 L101 R170	D97-E99 VanDerWaalsContact C-N 3.3Å; D97-E99 PolarHBondContact O-N 3.27Å; D97-T100 WeakPolarHBondContact O-CB 3.45Å; D97-T100 PolarHBondContact O-N 2.94Å; D97-T100 VanDerWaalsContact O-N 3.11Å; D97-L101 WeakPolarHBondContact O-CG 3.2Å; D97-L101 PolarHBondContact O-N 3.06Å; D97-R170 IonicContact OD1-CZ 3.43Å; D97-R170 IonicContact OD1-NE 2.77Å; D97-R170 PolarHBondContact OD1-NE 3.46Å; D97-R170 IonicContact OD1-NH2 3.24Å; D97-R170 PolarHBondContact OD1-NH2 2.92Å
98	E	89.9	Confident	92.3	Very high	116 Å²	116	59.9 Å²	59.9	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-36.1	-175.1	-165.7	175.2	-173.6	0	0	113.1	V96 T100 L101 S102 R185	V96-E98 PolarHBondContact O-N 2.94Å; V96-E98 VanDerWaalsContact O-N 3.15Å; E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 3.38Å; E98-L101 PolarHBondContact O-N 3.31Å; E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 3.28Å; E98-S102 PolarHBondContact O-OG 3.48Å; E98-R185 IonicContact OE1-NH1 2.63Å; E98-R185 PolarHBondContact OE1-NH1 2.96Å; E98-R185 IonicContact OE1-NH2 3.61Å
99	E	92.5	Very high	92.2	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-40	176.4	-56.4	-178.8	161	0	0	110.2	L95 V96 D97 Y103	L95-E99 HydrophobicContact CB-CB 4.22Å; L95-E99 HydrophobicContact CD2-CB 4.24Å; V96-E99 WeakPolarHBondContact O-CB 3.48Å; V96-E99 PolarHBondContact O-N 3.23Å; D97-E99 VanDerWaalsContact C-N 3.3Å; D97-E99 PolarHBondContact O-N 3.27Å; E99-Y103 WeakPolarHBondContact O-CB 3.42Å; E99-Y103 PolarHBondContact O-N 2.86Å
100	T	93.3	Very high	92.3	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-49.1	176.2	-59.3	0	0	0	0	110.6	L95 V96 D97 E98 Y103 F104 V163 L164	L95-T100 PolarHBondContact O-OG1 3.11Å; L95-T100 VanDerWaalsContact O-OG1 3.07Å; V96-T100 VanDerWaalsContact C-OG1 3.31Å; V96-T100 WeakPolarHBondContact CA-OG1 3.48Å; V96-T100 PolarHBondContact N-OG1 2.87Å; V96-T100 PolarHBondContact O-N 2.91Å; D97-T100 WeakPolarHBondContact O-CB 3.45Å; D97-T100 PolarHBondContact O-N 2.94Å; D97-T100 VanDerWaalsContact O-N 3.11Å; E98-T100 VanDerWaalsContact C-N 3.3Å; E98-T100 PolarHBondContact O-N 3.38Å; T100-Y103 PolarHBondContact O-N 3.45Å; T100-F104 HydrophobicContact CG2-CD2 3.88Å; T100-F104 HydrophobicContact CG2-CE2 4.18Å; T100-F104 WeakPolarHBondContact O-CB 3.48Å; T100-F104 WeakPolarHBondContact O-CD2 3.4Å; T100-F104 PolarHBondContact O-N 3.44Å; T100-V163 HydrophobicContact CG2-CG1 4.22Å; T100-L164 HydrophobicContact CG2-CB 4.33Å; T100-L164 HydrophobicContact CG2-CD1 4.15Å
101	L	93.6	Very high	92.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-47.8	-179.6	-62.7	178.6	0	0	0	111.5	D97 E98 Y103 F104 E105 L164 A167 I168 E171 R185 L186 I189	D97-L101 WeakPolarHBondContact O-CG 3.2Å; D97-L101 PolarHBondContact O-N 3.06Å; E98-L101 PolarHBondContact O-N 3.31Å; L101-Y103 PolarHBondContact O-N 3.44Å; L101-F104 PolarHBondContact O-N 2.97Å; L101-E105 WeakPolarHBondContact O-CB 3.41Å; L101-E105 PolarHBondContact O-N 3.48Å; L101-L164 HydrophobicContact CD2-CD1 4.05Å; L101-A167 HydrophobicContact CD1-CB 4.48Å; L101-A167 HydrophobicContact CD2-CB 3.92Å; L101-A167 HydrophobicContact CG-CB 3.98Å; L101-I168 HydrophobicContact CD2-CG1 3.6Å; L101-E171 HydrophobicContact CD1-CB 4.19Å; L101-E171 HydrophobicContact CD1-CG 4.28Å; L101-R185 HydrophobicContact CB-CG 4.31Å; L101-L186 HydrophobicContact CD1-CD2 4.42Å; L101-I189 HydrophobicContact CB-CD1 4.07Å; L101-I189 HydrophobicContact CD2-CD1 3.85Å; L101-I189 WeakPolarHBondContact O-CD1 2.86Å
102	S	93.3	Very high	92.5	Very high	48 Å²	48	54.4 Å²	54.4	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-39.1	-178.6	-56.1	0	0	0	0	111.9	E98 K106 R185	E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 3.28Å; E98-S102 PolarHBondContact O-OG 3.48Å; S102-K106 WeakPolarHBondContact O-CB 3.46Å; S102-K106 PolarHBondContact O-N 2.77Å; S102-K106 VanDerWaalsContact O-N 3.12Å; S102-R185 PolarHBondContact OG-NH1 3.28Å
103	Y	94.9	Very high	92.7	Very high	37 Å²	37	57.2 Å²	57.2	15%	0.145	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-49	173.4	166.9	-95.1	0	0	0	111.5	L88 K91 L95 E99 T100 L101 K106 A107	L88-Y103 PolarHBondContact O-OH 3.14Å; K91-Y103 HydrophobicContact CB-CE2 3.88Å; L95-Y103 HydrophobicContact CD1-CD1 3.91Å; L95-Y103 HydrophobicContact CD1-CD2 3.96Å; L95-Y103 HydrophobicContact CD1-CG 3.46Å; L95-Y103 VanDerWaalsContact CD1-CG 3.46Å; E99-Y103 WeakPolarHBondContact O-CB 3.42Å; E99-Y103 PolarHBondContact O-N 2.86Å; T100-Y103 PolarHBondContact O-N 3.45Å; L101-Y103 PolarHBondContact O-N 3.44Å; Y103-K106 PolarHBondContact O-N 3.1Å; Y103-A107 HydrophobicContact CE1-CB 4.46Å; Y103-A107 HydrophobicContact CE2-CB 4.36Å; Y103-A107 WeakPolarHBondContact O-CB 3.46Å; Y103-A107 PolarHBondContact O-N 3.45Å
104	F	94.2	Very high	92.9	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-39.6	-178.7	-94	-84.8	0	0	0	112.6	T100 L101 W108 W152 L156 H160 L164	T100-F104 HydrophobicContact CG2-CD2 3.88Å; T100-F104 HydrophobicContact CG2-CE2 4.18Å; T100-F104 WeakPolarHBondContact O-CB 3.48Å; T100-F104 WeakPolarHBondContact O-CD2 3.4Å; T100-F104 PolarHBondContact O-N 3.44Å; L101-F104 PolarHBondContact O-N 2.97Å; F104-W108 WeakPolarHBondContact O-CB 3.41Å; F104-W108 PolarHBondContact O-N 2.82Å; F104-W152 HydrophobicContact CD1-CZ2 4.39Å; F104-L156 HydrophobicContact CE1-CG 4.12Å; F104-L156 HydrophobicContact CZ-CD1 4.48Å; F104-L156 HydrophobicContact CZ-CG 4.32Å; F104-H160 HydrophobicContact CE2-CB 3.79Å; F104-H160 HydrophobicContact CZ-CB 3.5Å; F104-H160 AromaticContact CZ-CG 3.85Å; F104-L164 HydrophobicContact CB-CD1 3.92Å; F104-L164 HydrophobicContact CD1-CD2 3.8Å; F104-L164 HydrophobicContact CD2-CD1 3.84Å; F104-L164 HydrophobicContact CD2-CD2 4.29Å; F104-L164 HydrophobicContact CD2-CG 4.45Å; F104-L164 HydrophobicContact CE1-CD2 4.03Å; F104-L164 HydrophobicContact CE2-CB 4.5Å; F104-L164 HydrophobicContact CG-CD1 3.82Å; F104-L164 HydrophobicContact CG-CD2 3.95Å; F104-L164 HydrophobicContact CG-CG 4.45Å; F104-L164 HydrophobicContact CZ-CD2 4.4Å
105	E	93.9	Very high	93.1	Very high	41 Å²	41	46.5 Å²	46.5	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-52.5	174.6	-174.4	-161.9	164.8	0	0	111.1	L101 T109 R185 K188 I189	L101-E105 WeakPolarHBondContact O-CB 3.41Å; L101-E105 PolarHBondContact O-N 3.48Å; E105-T109 WeakPolarHBondContact O-CB 3.42Å; E105-T109 PolarHBondContact O-N 3.2Å; E105-T109 PolarHBondContact O-OG1 3.24Å; E105-R185 HydrophobicContact CB-CG 4.08Å; E105-R185 HydrophobicContact CG-CG 4.28Å; E105-R185 WeakPolarHBondContact OE2-CB 3.45Å; E105-R185 VanDerWaalsContact OE2-CG 3.22Å; E105-R185 WeakPolarHBondContact OE2-CG 3.46Å; E105-K188 HydrophobicContact CG-CB 4.15Å; E105-K188 HydrophobicContact CG-CD 3.63Å; E105-K188 WeakPolarHBondContact OE1-CD 3.38Å; E105-K188 IonicContact OE1-NZ 3.96Å; E105-K188 PolarHBondContact OE1-NZ 3.09Å; E105-I189 HydrophobicContact CB-CD1 4.44Å; E105-I189 HydrophobicContact CB-CG1 4.3Å
106	K	93.4	Very high	93.2	Very high	131 Å²	131	50.3 Å²	50.3	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-64.1	-55.4	-179.1	-178.1	176.3	178.1	177.7	0	110.6	S102 Y103 W108 T109 E110	S102-K106 WeakPolarHBondContact O-CB 3.46Å; S102-K106 PolarHBondContact O-N 2.77Å; S102-K106 VanDerWaalsContact O-N 3.12Å; Y103-K106 PolarHBondContact O-N 3.1Å; K106-W108 VanDerWaalsContact C-N 3.26Å; K106-W108 PolarHBondContact O-N 3.35Å; K106-T109 PolarHBondContact O-N 2.97Å; K106-T109 VanDerWaalsContact O-N 3.14Å; K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.29Å; K106-E110 WeakPolarHBondContact CG-OE1 3.3Å; K106-E110 IonicContact NZ-OE1 2.74Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.47Å; K106-E110 PolarHBondContact O-N 3.04Å
107	A	94.2	Very high	93.4	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-40.6	-176.8	0	0	0	0	0	111.5	Y103 F111 W152	Y103-A107 HydrophobicContact CE1-CB 4.46Å; Y103-A107 HydrophobicContact CE2-CB 4.36Å; Y103-A107 WeakPolarHBondContact O-CB 3.46Å; Y103-A107 PolarHBondContact O-N 3.45Å; A107-F111 WeakPolarHBondContact O-CB 3.45Å; A107-F111 PolarHBondContact O-N 3.3Å; A107-W152 HydrophobicContact CB-CH2 3.79Å; A107-W152 WeakPolarHBondContact O-CH2 3.46Å
108	W	94.5	Very high	93.7	Very high	7 Å²	7	44 Å²	44	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-47	177.1	173	-118.3	0	0	0	112.1	F104 K106 E110 F111 R112 L149 W152 C192 E195 L196	F104-W108 WeakPolarHBondContact O-CB 3.41Å; F104-W108 PolarHBondContact O-N 2.82Å; K106-W108 VanDerWaalsContact C-N 3.26Å; K106-W108 PolarHBondContact O-N 3.35Å; W108-E110 VanDerWaalsContact C-N 3.3Å; W108-E110 PolarHBondContact O-N 3.29Å; W108-F111 HydrophobicContact CZ3-CD1 4.47Å; W108-F111 PolarHBondContact O-N 2.97Å; W108-R112 HydrophobicContact CD2-CB 4.21Å; W108-R112 HydrophobicContact CE3-CB 4.4Å; W108-R112 HydrophobicContact CH2-CB 4.4Å; W108-R112 HydrophobicContact CH2-CG 4.34Å; W108-R112 HydrophobicContact CZ2-CB 4.18Å; W108-R112 HydrophobicContact CZ2-CG 3.99Å; W108-R112 HydrophobicContact CZ3-CB 4.49Å; W108-R112 WeakPolarHBondContact O-CB 3.35Å; W108-R112 PolarHBondContact O-N 3.08Å; W108-L149 HydrophobicContact CH2-CD2 3.56Å; W108-L149 HydrophobicContact CZ3-CD2 3.97Å; W108-W152 HydrophobicContact CB-CH2 4.19Å; W108-W152 HydrophobicContact CB-CZ2 3.93Å; W108-W152 HydrophobicContact CE3-CD2 4.05Å; W108-W152 AromaticContact CE3-CE2 3.72Å; W108-W152 HydrophobicContact CE3-CG 4.48Å; W108-W152 HydrophobicContact CE3-CH2 4.43Å; W108-W152 AromaticContact CE3-CZ2 3.93Å; W108-W152 HydrophobicContact CE3-CZ2 3.93Å; W108-W152 AromaticContact CE3-NE1 3.97Å; W108-W152 HydrophobicContact CZ3-CD2 4.3Å; W108-W152 HydrophobicContact CZ3-CG 4.3Å; W108-C192 HydrophobicContact CD2-CB 3.64Å; W108-C192 VanDerWaalsContact CE2-CB 3.47Å; W108-C192 HydrophobicContact CE3-CB 4.36Å; W108-C192 HydrophobicContact CG-CB 3.7Å; W108-C192 HydrophobicContact CZ2-CB 4.04Å; W108-E195 HydrophobicContact CZ2-CB 4.21Å; W108-E195 HydrophobicContact CZ2-CG 4.44Å; W108-L196 HydrophobicContact CH2-CD2 4.26Å; W108-L196 HydrophobicContact CH2-CG 4.46Å; W108-L196 HydrophobicContact CZ3-CD2 4.12Å
109	T	93.2	Very high	93.8	Very high	63 Å²	63	40.2 Å²	40.2	39%	0.387	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-46.7	-179.7	-57.4	0	0	0	0	110.9	E105 K106 F113	E105-T109 WeakPolarHBondContact O-CB 3.42Å; E105-T109 PolarHBondContact O-N 3.2Å; E105-T109 PolarHBondContact O-OG1 3.24Å; K106-T109 PolarHBondContact O-N 2.97Å; K106-T109 VanDerWaalsContact O-N 3.14Å; T109-F113 WeakPolarHBondContact O-CB 3.37Å; T109-F113 PolarHBondContact O-N 3.3Å
110	E	94.5	Very high	93.9	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	17%	0.174	S	C	.	.	H	α-helix	trans	-66.3	-49	179	-61.8	-177.2	166.2	0	0	111.4	L25 K106 W108 F113 A114	L25-E110 HydrophobicContact CD1-CB 3.75Å; L25-E110 HydrophobicContact CD1-CG 3.53Å; K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.29Å; K106-E110 WeakPolarHBondContact CG-OE1 3.3Å; K106-E110 IonicContact NZ-OE1 2.74Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.47Å; K106-E110 PolarHBondContact O-N 3.04Å; W108-E110 VanDerWaalsContact C-N 3.3Å; W108-E110 PolarHBondContact O-N 3.29Å; E110-F113 PolarHBondContact O-N 2.96Å; E110-A114 VanDerWaalsContact O-CB 3.31Å; E110-A114 WeakPolarHBondContact O-CB 3.38Å; E110-A114 PolarHBondContact O-N 2.88Å
111	F	95.2	Very high	93.8	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-177.8	-178.3	-93.4	0	0	0	113	F23 H84 V85 L88 A107 W108 A114 S115 A148 W152	F23-F111 HydrophobicContact CD1-CD2 4.08Å; F23-F111 HydrophobicContact CD1-CE2 4.4Å; F23-F111 AromaticContact CE1-CD2 3.58Å; F23-F111 HydrophobicContact CE1-CD2 3.58Å; F23-F111 AromaticContact CE1-CE2 3.6Å; F23-F111 HydrophobicContact CE1-CE2 3.6Å; F23-F111 HydrophobicContact CE1-CG 4.41Å; F23-F111 HydrophobicContact CE1-CZ 4.46Å; F23-F111 HydrophobicContact CZ-CE2 4.35Å; H84-F111 AromaticContact CD2-CD2 3.91Å; H84-F111 AromaticContact CD2-CE2 3.95Å; V85-F111 HydrophobicContact CG2-CD2 4.46Å; V85-F111 HydrophobicContact CG2-CE2 3.54Å; V85-F111 HydrophobicContact CG2-CZ 3.75Å; L88-F111 HydrophobicContact CD1-CD2 4.05Å; A107-F111 WeakPolarHBondContact O-CB 3.45Å; A107-F111 PolarHBondContact O-N 3.3Å; W108-F111 HydrophobicContact CZ3-CD1 4.47Å; W108-F111 PolarHBondContact O-N 2.97Å; F111-A114 PolarHBondContact O-N 3.47Å; F111-S115 WeakPolarHBondContact CE1-OG 3.21Å; F111-S115 WeakPolarHBondContact O-CB 3.38Å; F111-S115 PolarHBondContact O-N 3.04Å; F111-S115 PolarHBondContact O-OG 2.94Å; F111-A148 HydrophobicContact CE1-CB 4.11Å; F111-A148 HydrophobicContact CZ-CB 3.97Å; F111-W152 HydrophobicContact CB-CE3 3.78Å; F111-W152 HydrophobicContact CB-CH2 4.16Å; F111-W152 HydrophobicContact CB-CZ3 3.31Å; F111-W152 HydrophobicContact CD1-CB 4.44Å; F111-W152 AromaticContact CD1-CD2 3.97Å; F111-W152 HydrophobicContact CD1-CD2 3.97Å; F111-W152 AromaticContact CD1-CE3 3.22Å; F111-W152 HydrophobicContact CD1-CE3 3.22Å; F111-W152 HydrophobicContact CD1-CG 4.5Å; F111-W152 AromaticContact CD1-CZ3 3.75Å; F111-W152 HydrophobicContact CD1-CZ3 3.75Å; F111-W152 AromaticContact CD2-CE3 3.8Å; F111-W152 HydrophobicContact CD2-CE3 3.8Å; F111-W152 AromaticContact CD2-CZ3 3.95Å; F111-W152 HydrophobicContact CD2-CZ3 3.95Å; F111-W152 HydrophobicContact CE1-CB 3.82Å; F111-W152 HydrophobicContact CE1-CD2 4.22Å; F111-W152 AromaticContact CE1-CE3 3.65Å; F111-W152 HydrophobicContact CE1-CE3 3.65Å; F111-W152 HydrophobicContact CE1-CG 4.34Å; F111-W152 HydrophobicContact CE2-CE3 4.18Å; F111-W152 HydrophobicContact CG-CD2 4.43Å; F111-W152 AromaticContact CG-CE3 3.3Å; F111-W152 HydrophobicContact CG-CE3 3.3Å; F111-W152 AromaticContact CG-CZ3 3.39Å; F111-W152 HydrophobicContact CG-CZ3 3.39Å; F111-W152 HydrophobicContact CZ-CB 4.28Å; F111-W152 HydrophobicContact CZ-CE3 4.11Å
112	R	93.4	Very high	93.7	Very high	71 Å²	71	35.6 Å²	35.6	27%	0.268	17%	0.173	S	C	.	.	H	α-helix	trans	-62.4	-46.5	178.2	-175.2	-170	-175.4	-128.3	20.8	110.8	W108 S115 R116 Y145 E195	W108-R112 HydrophobicContact CD2-CB 4.21Å; W108-R112 HydrophobicContact CE3-CB 4.4Å; W108-R112 HydrophobicContact CH2-CB 4.4Å; W108-R112 HydrophobicContact CH2-CG 4.34Å; W108-R112 HydrophobicContact CZ2-CB 4.18Å; W108-R112 HydrophobicContact CZ2-CG 3.99Å; W108-R112 HydrophobicContact CZ3-CB 4.49Å; W108-R112 WeakPolarHBondContact O-CB 3.35Å; W108-R112 PolarHBondContact O-N 3.08Å; R112-S115 PolarHBondContact O-N 3.42Å; R112-R116 WeakPolarHBondContact O-CG 3.48Å; R112-R116 PolarHBondContact O-N 2.9Å; R112-R116 VanDerWaalsContact O-N 3.11Å; R112-Y145 WeakPolarHBondContact CG-OH 3.23Å; R112-E195 IonicContact CZ-OE1 3.46Å; R112-E195 IonicContact CZ-OE2 3.74Å; R112-E195 VanDerWaalsContact CZ-OE2 3.22Å; R112-E195 IonicContact NE-OE1 2.7Å; R112-E195 PolarHBondContact NE-OE1 3.28Å; R112-E195 IonicContact NE-OE2 3.36Å; R112-E195 PolarHBondContact NE-OE2 3.36Å; R112-E195 IonicContact NH2-OE1 3.62Å; R112-E195 IonicContact NH2-OE2 2.75Å; R112-E195 PolarHBondContact NH2-OE2 2.99Å
113	F	93.2	Very high	93.6	Very high	62 Å²	62	35.9 Å²	35.9	27%	0.272	17%	0.17	S	C	.	.	H	α-helix	trans	-61.6	-51.3	176.4	176.6	-95.3	0	0	0	111.2	L25 T109 E110 S115 R116 V117 P222 L224	L25-F113 HydrophobicContact CD2-CD1 3.56Å; L25-F113 HydrophobicContact CD2-CE1 4.13Å; T109-F113 WeakPolarHBondContact O-CB 3.37Å; T109-F113 PolarHBondContact O-N 3.3Å; E110-F113 PolarHBondContact O-N 2.96Å; F113-S115 VanDerWaalsContact C-N 3.28Å; F113-S115 PolarHBondContact O-N 2.71Å; F113-R116 PolarHBondContact O-N 3.48Å; F113-R116 VanDerWaalsContact O-N 3.15Å; F113-V117 HydrophobicContact CD1-CG2 4.4Å; F113-V117 HydrophobicContact CE1-CG2 3.99Å; F113-V117 HydrophobicContact CE2-CG2 4.5Å; F113-V117 HydrophobicContact CZ-CG2 4.04Å; F113-V117 WeakPolarHBondContact O-CG2 3.34Å; F113-V117 PolarHBondContact O-N 2.92Å; F113-V117 VanDerWaalsContact O-N 3.14Å; F113-P222 HydrophobicContact CE2-CB 4.33Å; F113-L224 HydrophobicContact CE1-CD1 3.47Å; F113-L224 VanDerWaalsContact CE1-CD1 3.47Å; F113-L224 HydrophobicContact CE1-CG 4.01Å; F113-L224 HydrophobicContact CZ-CB 4.39Å; F113-L224 HydrophobicContact CZ-CD1 3.56Å; F113-L224 HydrophobicContact CZ-CG 3.74Å
114	A	95	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-41.6	177.4	0	0	0	0	0	112.2	I22 F23 L25 E110 F111 R116 V117 L118	I22-A114 HydrophobicContact CG2-CB 3.89Å; I22-A114 WeakPolarHBondContact CG2-O 3.43Å; F23-A114 HydrophobicContact CD1-CB 3.5Å; F23-A114 HydrophobicContact CE1-CB 3.68Å; F23-A114 HydrophobicContact CG-CB 3.95Å; F23-A114 HydrophobicContact CZ-CB 4.28Å; L25-A114 HydrophobicContact CD2-CB 4.43Å; E110-A114 VanDerWaalsContact O-CB 3.31Å; E110-A114 WeakPolarHBondContact O-CB 3.38Å; E110-A114 PolarHBondContact O-N 2.88Å; F111-A114 PolarHBondContact O-N 3.47Å; A114-R116 PolarHBondContact O-N 3.09Å; A114-V117 PolarHBondContact O-N 3.41Å; A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 2.95Å
115	S	94.7	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-34.8	179	-61.6	0	0	0	0	112.9	F111 R112 F113 D119 A148	F111-S115 WeakPolarHBondContact CE1-OG 3.21Å; F111-S115 WeakPolarHBondContact O-CB 3.38Å; F111-S115 PolarHBondContact O-N 3.04Å; F111-S115 PolarHBondContact O-OG 2.94Å; R112-S115 PolarHBondContact O-N 3.42Å; F113-S115 VanDerWaalsContact C-N 3.28Å; F113-S115 PolarHBondContact O-N 2.71Å; S115-D119 WeakPolarHBondContact O-CB 3.48Å; S115-D119 PolarHBondContact O-N 3.41Å; S115-A148 WeakPolarHBondContact OG-CB 3.49Å
116	R	93.2	Very high	93	Very high	120 Å²	120	34.3 Å²	34.3	45%	0.453	16%	0.163	S	C	.	.	H	α-helix	trans	-68.3	-40.9	173.6	-71.9	178.7	177.4	-169.1	-12.3	112.3	R112 F113 A114 L118 D119 G120 Y145 E195	R112-R116 WeakPolarHBondContact O-CG 3.48Å; R112-R116 PolarHBondContact O-N 2.9Å; R112-R116 VanDerWaalsContact O-N 3.11Å; F113-R116 PolarHBondContact O-N 3.48Å; F113-R116 VanDerWaalsContact O-N 3.15Å; A114-R116 PolarHBondContact O-N 3.09Å; R116-L118 VanDerWaalsContact C-N 3.35Å; R116-D119 PolarHBondContact O-N 3.26Å; R116-G120 PolarHBondContact O-N 3.46Å; R116-Y145 HydrophobicContact CG-CD2 4.01Å; R116-Y145 HydrophobicContact CG-CE2 3.48Å; R116-Y145 VanDerWaalsContact CG-CE2 3.48Å; R116-Y145 PolarHBondContact NE-OH 2.99Å; R116-E195 IonicContact NH2-OE1 3.4Å
117	V	93.4	Very high	92.7	Very high	25 Å²	25	34.2 Å²	34.2	15%	0.152	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-44	175.6	179.8	0	0	0	0	110	I22 Y33 F113 A114 G120 V121 L224	I22-V117 HydrophobicContact CD1-CG1 4.08Å; I22-V117 HydrophobicContact CG1-CG1 4.03Å; I22-V117 HydrophobicContact CG2-CB 3.91Å; I22-V117 HydrophobicContact CG2-CG1 4.05Å; Y33-V117 HydrophobicContact CD2-CG1 4.42Å; Y33-V117 HydrophobicContact CE2-CG1 4.23Å; F113-V117 HydrophobicContact CD1-CG2 4.4Å; F113-V117 HydrophobicContact CE1-CG2 3.99Å; F113-V117 HydrophobicContact CE2-CG2 4.5Å; F113-V117 HydrophobicContact CZ-CG2 4.04Å; F113-V117 WeakPolarHBondContact O-CG2 3.34Å; F113-V117 PolarHBondContact O-N 2.92Å; F113-V117 VanDerWaalsContact O-N 3.14Å; A114-V117 PolarHBondContact O-N 3.41Å; V117-G120 PolarHBondContact O-N 2.88Å; V117-V121 WeakPolarHBondContact O-CG2 3.48Å; V117-V121 PolarHBondContact O-N 2.85Å; V117-L224 HydrophobicContact CG2-CD1 4.43Å
118	L	94.1	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-45.2	175.4	-177.1	71	0	0	0	112	F19 I22 F23 L77 L81 A114 R116 G120 V121 C122 V144	F19-L118 HydrophobicContact CB-CD1 4.39Å; F19-L118 HydrophobicContact CD1-CD1 3.29Å; F19-L118 HydrophobicContact CD2-CD1 4.19Å; F19-L118 HydrophobicContact CE1-CD1 3.44Å; F19-L118 VanDerWaalsContact CE1-CD1 3.44Å; F19-L118 HydrophobicContact CE2-CD1 4.31Å; F19-L118 HydrophobicContact CG-CD1 3.7Å; F19-L118 HydrophobicContact CZ-CD1 3.96Å; I22-L118 HydrophobicContact CD1-CD1 4.39Å; F23-L118 HydrophobicContact CE2-CB 4.5Å; F23-L118 HydrophobicContact CE2-CD2 3.85Å; F23-L118 HydrophobicContact CZ-CD2 4.02Å; L77-L118 HydrophobicContact CD1-CD1 4.05Å; L77-L118 HydrophobicContact CD1-CD2 3.99Å; L77-L118 HydrophobicContact CD1-CG 4.33Å; L81-L118 HydrophobicContact CD1-CD2 4.43Å; L81-L118 HydrophobicContact CD2-CD2 3.8Å; L81-L118 HydrophobicContact CG-CD2 4.33Å; A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 2.95Å; R116-L118 VanDerWaalsContact C-N 3.35Å; L118-G120 VanDerWaalsContact C-N 3.29Å; L118-G120 PolarHBondContact O-N 3.29Å; L118-V121 PolarHBondContact O-N 3.37Å; L118-C122 WeakPolarHBondContact O-CB 3.1Å; L118-C122 PolarHBondContact O-N 3.4Å; L118-V144 HydrophobicContact CD2-CG1 3.89Å; L118-V144 HydrophobicContact CG-CG1 3.94Å
119	D	93.1	Very high	92.1	Very high	36 Å²	36	37.6 Å²	37.6	19%	0.193	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-41.3	177.2	-171	72.1	0	0	0	111.8	S115 R116 C122 N123 N126 V143 V144 Y145	S115-D119 WeakPolarHBondContact O-CB 3.48Å; S115-D119 PolarHBondContact O-N 3.41Å; R116-D119 PolarHBondContact O-N 3.26Å; D119-C122 CarbonylContact O-C 3.6Å; D119-C122 VanDerWaalsContact O-C 3.31Å; D119-C122 PolarHBondContact O-N 3.3Å; D119-N123 PolarHBondContact O-N 3.44Å; D119-N126 PolarHBondContact OD1-ND2 3.21Å; D119-V143 WeakPolarHBondContact OD1-CG1 3.48Å; D119-V144 WeakPolarHBondContact OD1-CB 3.35Å; D119-V144 PolarHBondContact OD1-N 3.42Å; D119-Y145 PolarHBondContact OD1-N 3.17Å
120	G	92.8	Very high	91.8	Very high	20 Å²	20	34.6 Å²	34.6	21%	0.206	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-43.5	173	0	0	0	0	0	113.4	Y33 R116 V117 L118 C122 N123	Y33-G120 VanDerWaalsContact OH-CA 3.27Å; Y33-G120 WeakPolarHBondContact OH-CA 3.43Å; Y33-G120 PolarHBondContact OH-O 3.03Å; R116-G120 PolarHBondContact O-N 3.46Å; V117-G120 PolarHBondContact O-N 2.88Å; L118-G120 VanDerWaalsContact C-N 3.29Å; L118-G120 PolarHBondContact O-N 3.29Å; G120-C122 VanDerWaalsContact C-N 3.25Å; G120-C122 PolarHBondContact O-N 2.95Å; G120-N123 WeakPolarHBondContact O-CB 3.31Å; G120-N123 PolarHBondContact O-N 3.36Å
121	V	91.7	Very high	91.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-37.5	174.9	171.9	0	0	0	0	110.7	F19 I22 Y33 L36 H37 V40 V117 L118 N123	F19-V121 HydrophobicContact CE1-CG1 4.07Å; I22-V121 HydrophobicContact CD1-CG2 4.09Å; Y33-V121 HydrophobicContact CD2-CG2 3.65Å; Y33-V121 HydrophobicContact CE2-CG2 3.41Å; Y33-V121 VanDerWaalsContact CE2-CG2 3.41Å; Y33-V121 HydrophobicContact CG-CG2 4.45Å; Y33-V121 PolarHBondContact OH-N 2.84Å; L36-V121 HydrophobicContact CB-CG1 3.64Å; H37-V121 PolarHBondContact CD2-O 3.03Å; V40-V121 HydrophobicContact CG2-CG1 4.35Å; V117-V121 WeakPolarHBondContact O-CG2 3.48Å; V117-V121 PolarHBondContact O-N 2.85Å; L118-V121 PolarHBondContact O-N 3.37Å; V121-N123 VanDerWaalsContact C-N 3.34Å
122	C	92.5	Very high	90.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	13.4	179.4	-63.9	0	0	0	0	114.2	L118 D119 G120 Y124 L125 N126 V144	L118-C122 WeakPolarHBondContact O-CB 3.1Å; L118-C122 PolarHBondContact O-N 3.4Å; D119-C122 CarbonylContact O-C 3.6Å; D119-C122 VanDerWaalsContact O-C 3.31Å; D119-C122 PolarHBondContact O-N 3.3Å; G120-C122 VanDerWaalsContact C-N 3.25Å; G120-C122 PolarHBondContact O-N 2.95Å; C122-Y124 VanDerWaalsContact C-N 3.28Å; C122-Y124 PolarHBondContact O-N 3.2Å; C122-L125 WeakPolarHBondContact O-CA 3.41Å; C122-L125 WeakPolarHBondContact O-CB 3.41Å; C122-L125 PolarHBondContact O-N 2.95Å; C122-N126 PolarHBondContact O-N 3.44Å; C122-V144 HydrophobicContact CB-CB 4.22Å; C122-V144 HydrophobicContact CB-CG1 4.3Å; C122-V144 HydrophobicContact CB-CG2 3.7Å
123	N	91.3	Very high	90.4	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-59.1	-36.8	-174.1	179.3	38.8	0	0	0	113	D119 G120 V121 N126 R127	D119-N123 PolarHBondContact O-N 3.44Å; G120-N123 WeakPolarHBondContact O-CB 3.31Å; G120-N123 PolarHBondContact O-N 3.36Å; V121-N123 VanDerWaalsContact C-N 3.34Å; N123-N126 WeakPolarHBondContact O-CB 3.23Å; N123-N126 PolarHBondContact O-N 3.4Å; N123-R127 PolarHBondContact ND2-NE 2.92Å; N123-R127 WeakPolarHBondContact O-CB 3.46Å; N123-R127 WeakPolarHBondContact O-CG 3.15Å; N123-R127 PolarHBondContact O-N 2.98Å; N123-R127 PolarHBondContact OD1-NE 3.47Å; N123-R127 VanDerWaalsContact OD1-NE 3.14Å
124	Y	88.5	Confident	89.9	Confident	43 Å²	43	33.3 Å²	33.3	17%	0.169	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-42.4	175.2	-164.1	-92.8	0	0	0	112.3	Y41 C44 T45 C122 N126 R127 H128	Y41-Y124 AromaticContact CD2-CD1 3.97Å; Y41-Y124 HydrophobicContact CD2-CD1 3.97Å; Y41-Y124 AromaticContact CD2-CD2 3.55Å; Y41-Y124 HydrophobicContact CD2-CD2 3.55Å; Y41-Y124 AromaticContact CD2-CE1 3.79Å; Y41-Y124 HydrophobicContact CD2-CE1 3.79Å; Y41-Y124 AromaticContact CD2-CE2 3.35Å; Y41-Y124 HydrophobicContact CD2-CE2 3.35Å; Y41-Y124 AromaticContact CD2-CG 3.84Å; Y41-Y124 HydrophobicContact CD2-CG 3.84Å; Y41-Y124 AromaticContact CD2-CZ 3.48Å; Y41-Y124 VanDerWaalsContact CD2-CZ 3.48Å; Y41-Y124 HydrophobicContact CE2-CD2 4.14Å; Y41-Y124 HydrophobicContact CE2-CE1 4.2Å; Y41-Y124 AromaticContact CE2-CE2 3.48Å; Y41-Y124 HydrophobicContact CE2-CE2 3.48Å; Y41-Y124 VanDerWaalsContact CE2-CE2 3.48Å; Y41-Y124 AromaticContact CE2-CZ 3.52Å; C44-Y124 HydrophobicContact CB-CD1 3.64Å; C44-Y124 HydrophobicContact CB-CE1 3.71Å; T45-Y124 HydrophobicContact CG2-CE1 3.74Å; T45-Y124 VanDerWaalsContact CG2-OH 3.26Å; T45-Y124 WeakPolarHBondContact CG2-OH 3.44Å; C122-Y124 VanDerWaalsContact C-N 3.28Å; C122-Y124 PolarHBondContact O-N 3.2Å; Y124-N126 VanDerWaalsContact C-N 3.32Å; Y124-N126 PolarHBondContact O-N 2.94Å; Y124-R127 PolarHBondContact O-N 3.45Å; Y124-H128 AromaticContact CD1-CD2 3.82Å; Y124-H128 AromaticContact CD2-CD2 3.48Å; Y124-H128 VanDerWaalsContact CD2-CD2 3.48Å; Y124-H128 WeakPolarHBondContact CD2-CD2 3.3Å; Y124-H128 AromaticContact CD2-NE2 3.66Å; Y124-H128 HydrophobicContact CE1-CB 4.44Å; Y124-H128 AromaticContact CE1-CD2 3.6Å; Y124-H128 AromaticContact CE2-CD2 3.23Å; Y124-H128 WeakPolarHBondContact CE2-CD2 3.48Å; Y124-H128 AromaticContact CE2-NE2 3.2Å; Y124-H128 WeakPolarHBondContact CE2-NE2 3.37Å; Y124-H128 AromaticContact CG-CD2 3.77Å; Y124-H128 AromaticContact CZ-CD2 3.3Å; Y124-H128 AromaticContact CZ-NE2 3.61Å; Y124-H128 PolarHBondContact O-CD2 3.04Å; Y124-H128 PolarHBondContact O-N 3.38Å; Y124-H128 VanDerWaalsContact O-N 3.12Å
125	L	89.4	Confident	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-42.7	174.4	-178.6	71.5	0	0	0	110.8	V40 L73 Y74 C122 W129 V130 V144	V40-L125 HydrophobicContact CG1-CB 3.88Å; L73-L125 HydrophobicContact CD2-CD1 4.44Å; L73-L125 HydrophobicContact CD2-CD2 4.32Å; L73-L125 HydrophobicContact CG-CD2 4.42Å; Y74-L125 HydrophobicContact CD2-CD2 4.13Å; C122-L125 WeakPolarHBondContact O-CA 3.41Å; C122-L125 WeakPolarHBondContact O-CB 3.41Å; C122-L125 PolarHBondContact O-N 2.95Å; L125-W129 HydrophobicContact CD1-CB 3.84Å; L125-W129 HydrophobicContact CD1-CD2 4.26Å; L125-W129 HydrophobicContact CD1-CE3 4.01Å; L125-W129 HydrophobicContact CD1-CG 4.21Å; L125-W129 PolarHBondContact O-N 3.49Å; L125-W129 VanDerWaalsContact O-N 3.07Å; L125-V130 HydrophobicContact CG-CG2 4.32Å; L125-V130 PolarHBondContact O-N 3.24Å; L125-V144 HydrophobicContact CD2-CG2 4.48Å
126	N	90.8	Very high	88.8	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	20%	0.203	C	C	.	.	I	π-helix	trans	-59.9	-48.2	176.3	-75.6	-27.7	0	0	0	112.1	D119 C122 N123 Y124 K131 V143 V144	D119-N126 PolarHBondContact OD1-ND2 3.21Å; C122-N126 PolarHBondContact O-N 3.44Å; N123-N126 WeakPolarHBondContact O-CB 3.23Å; N123-N126 PolarHBondContact O-N 3.4Å; Y124-N126 VanDerWaalsContact C-N 3.32Å; Y124-N126 PolarHBondContact O-N 2.94Å; N126-K131 PolarHBondContact O-N 2.92Å; N126-K131 VanDerWaalsContact O-N 3.13Å; N126-V143 HydrophobicContact CB-CG1 4.43Å; N126-V144 WeakPolarHBondContact OD1-CG2 3.39Å; N126-V144 PolarHBondContact OD1-N 3.23Å
127	R	88.3	Confident	88	Confident	130 Å²	130	41.1 Å²	41.1	49%	0.491	21%	0.209	S	C	.	.	I	π-helix	trans	-70.4	-36.6	-173.8	-75.2	-179.2	178.9	-146.7	-4.1	114.3	N123 Y124 K131	N123-R127 PolarHBondContact ND2-NE 2.92Å; N123-R127 WeakPolarHBondContact O-CB 3.46Å; N123-R127 WeakPolarHBondContact O-CG 3.15Å; N123-R127 PolarHBondContact O-N 2.98Å; N123-R127 PolarHBondContact OD1-NE 3.47Å; N123-R127 VanDerWaalsContact OD1-NE 3.14Å; Y124-R127 PolarHBondContact O-N 3.45Å; R127-K131 WeakPolarHBondContact O-CB 3.15Å
128	H	87.3	Confident	87.3	Confident	76 Å²	76	45.1 Å²	45.1	35%	0.352	22%	0.221	S	C	.	.	I	π-helix	trans	-108.5	-42.5	-169.3	-64.6	-71.8	0	0	0	113.4	L68 Y124 R132	L68-H128 HydrophobicContact CD1-CB 4.36Å; L68-H128 HydrophobicContact CD2-CB 4.46Å; Y124-H128 AromaticContact CD1-CD2 3.82Å; Y124-H128 AromaticContact CD2-CD2 3.48Å; Y124-H128 VanDerWaalsContact CD2-CD2 3.48Å; Y124-H128 WeakPolarHBondContact CD2-CD2 3.3Å; Y124-H128 AromaticContact CD2-NE2 3.66Å; Y124-H128 HydrophobicContact CE1-CB 4.44Å; Y124-H128 AromaticContact CE1-CD2 3.6Å; Y124-H128 AromaticContact CE2-CD2 3.23Å; Y124-H128 WeakPolarHBondContact CE2-CD2 3.48Å; Y124-H128 AromaticContact CE2-NE2 3.2Å; Y124-H128 WeakPolarHBondContact CE2-NE2 3.37Å; Y124-H128 AromaticContact CG-CD2 3.77Å; Y124-H128 AromaticContact CZ-CD2 3.3Å; Y124-H128 AromaticContact CZ-NE2 3.61Å; Y124-H128 PolarHBondContact O-CD2 3.04Å; Y124-H128 PolarHBondContact O-N 3.38Å; Y124-H128 VanDerWaalsContact O-N 3.12Å; H128-R132 WeakPolarHBondContact O-CB 3.32Å
129	W	88.2	Confident	86.6	Confident	7 Å²	7	54 Å²	54	3%	0.027	26%	0.26	C	S	.	.	I	π-helix	trans	-94.8	-55.3	-176.5	-173.7	78.7	0	0	0	111.7	F71 Y74 L125 K131 R132 E133 V141	F71-W129 HydrophobicContact CB-CH2 4.33Å; F71-W129 HydrophobicContact CB-CZ2 3.63Å; F71-W129 HydrophobicContact CD2-CH2 4.17Å; F71-W129 HydrophobicContact CD2-CZ2 4.06Å; F71-W129 HydrophobicContact CG-CZ2 4.36Å; Y74-W129 VanDerWaalsContact CB-CZ3 3.47Å; Y74-W129 HydrophobicContact CD1-CH2 4.03Å; Y74-W129 AromaticContact CD1-CZ3 3.76Å; Y74-W129 HydrophobicContact CD1-CZ3 3.76Å; Y74-W129 HydrophobicContact CD2-CE3 4.34Å; Y74-W129 AromaticContact CD2-CZ3 3.75Å; Y74-W129 HydrophobicContact CD2-CZ3 3.75Å; Y74-W129 HydrophobicContact CE1-CZ3 4.42Å; Y74-W129 HydrophobicContact CE2-CZ3 4.44Å; Y74-W129 HydrophobicContact CG-CE3 4.25Å; Y74-W129 HydrophobicContact CG-CH2 4.01Å; Y74-W129 AromaticContact CG-CZ3 3.38Å; Y74-W129 HydrophobicContact CG-CZ3 3.38Å; L125-W129 HydrophobicContact CD1-CB 3.84Å; L125-W129 HydrophobicContact CD1-CD2 4.26Å; L125-W129 HydrophobicContact CD1-CE3 4.01Å; L125-W129 HydrophobicContact CD1-CG 4.21Å; L125-W129 PolarHBondContact O-N 3.49Å; L125-W129 VanDerWaalsContact O-N 3.07Å; W129-K131 VanDerWaalsContact C-N 3.34Å; W129-K131 PolarHBondContact O-N 3.11Å; W129-R132 PolarHBondContact O-N 2.86Å; W129-E133 HydrophobicContact CD2-CG 3.88Å; W129-E133 HydrophobicContact CE3-CG 4.26Å; W129-E133 HydrophobicContact CG-CG 4.37Å; W129-E133 HydrophobicContact CH2-CG 4.01Å; W129-E133 VanDerWaalsContact CZ2-CD 3.48Å; W129-E133 HydrophobicContact CZ2-CG 3.6Å; W129-E133 HydrophobicContact CZ3-CG 4.32Å; W129-E133 WeakPolarHBondContact O-CB 3.24Å; W129-E133 WeakPolarHBondContact O-CG 3.13Å; W129-E133 PolarHBondContact O-N 3.15Å; W129-V141 HydrophobicContact CH2-CG1 4.34Å; W129-V141 HydrophobicContact CZ3-CG1 3.98Å
130	V	87	Confident	86.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-58.8	-46.9	-179	173.4	0	0	0	0	110.8	Y74 L125 R132 E133 C134 V141 V143	Y74-V130 HydrophobicContact CD2-CG2 4.09Å; Y74-V130 HydrophobicContact CE2-CG2 3.97Å; L125-V130 HydrophobicContact CG-CG2 4.32Å; L125-V130 PolarHBondContact O-N 3.24Å; V130-R132 PolarHBondContact O-N 3.37Å; V130-E133 PolarHBondContact O-N 3.36Å; V130-C134 PolarHBondContact O-N 3.15Å; V130-C134 PolarHBondContact O-SG 3.12Å; V130-V141 HydrophobicContact CG1-CG1 4.16Å; V130-V143 HydrophobicContact CG1-CG2 4.29Å
131	K	85.1	Confident	85.8	Confident	70 Å²	70	57 Å²	57	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-54.2	-50.7	177.3	-179.4	171.8	175.7	-177.2	0	112.4	N126 R127 W129 E133 C134 E135 F205	N126-K131 PolarHBondContact O-N 2.92Å; N126-K131 VanDerWaalsContact O-N 3.13Å; R127-K131 WeakPolarHBondContact O-CB 3.15Å; W129-K131 VanDerWaalsContact C-N 3.34Å; W129-K131 PolarHBondContact O-N 3.11Å; K131-E133 VanDerWaalsContact C-N 3.32Å; K131-E133 PolarHBondContact O-N 3.02Å; K131-C134 WeakPolarHBondContact O-CB 3.28Å; K131-C134 PolarHBondContact O-N 3.35Å; K131-E135 WeakPolarHBondContact CE-OE1 3.15Å; K131-E135 WeakPolarHBondContact CG-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.84Å; K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 2.92Å; K131-F205 HydrophobicContact CB-CE1 3.86Å; K131-F205 HydrophobicContact CB-CE2 4.22Å; K131-F205 HydrophobicContact CB-CZ 3.53Å; K131-F205 HydrophobicContact CD-CD1 4.04Å; K131-F205 HydrophobicContact CD-CD2 4.24Å; K131-F205 HydrophobicContact CD-CE1 3.91Å; K131-F205 HydrophobicContact CD-CE2 4.12Å; K131-F205 HydrophobicContact CD-CG 4.21Å; K131-F205 HydrophobicContact CD-CZ 3.96Å; K131-F205 HydrophobicContact CG-CD2 4.31Å; K131-F205 HydrophobicContact CG-CE1 3.96Å; K131-F205 HydrophobicContact CG-CE2 3.73Å; K131-F205 HydrophobicContact CG-CZ 3.54Å
132	R	84.2	Confident	85.6	Confident	74 Å²	74	58.8 Å²	58.8	28%	0.279	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-41.8	179.6	-170.4	-170.4	122.3	178.5	0.8	112	H128 W129 V130 E135 E136	H128-R132 WeakPolarHBondContact O-CB 3.32Å; W129-R132 PolarHBondContact O-N 2.86Å; V130-R132 PolarHBondContact O-N 3.37Å; R132-E135 PolarHBondContact O-N 2.63Å; R132-E136 IonicContact CZ-OE1 3.38Å; R132-E136 VanDerWaalsContact CZ-OE1 3.27Å; R132-E136 IonicContact NE-OE1 2.7Å; R132-E136 PolarHBondContact NE-OE1 2.76Å; R132-E136 IonicContact NH2-OE1 2.86Å; R132-E136 PolarHBondContact NH2-OE1 2.72Å; R132-E136 WeakPolarHBondContact O-CG 3.32Å; R132-E136 PolarHBondContact O-N 3.27Å
133	E	84.7	Confident	85.5	Confident	5 Å²	5	60 Å²	60	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-68.2	-35.8	180	-66.3	-85.4	144.2	0	0	112.3	W129 V130 K131 R138 V141	W129-E133 HydrophobicContact CD2-CG 3.88Å; W129-E133 HydrophobicContact CE3-CG 4.26Å; W129-E133 HydrophobicContact CG-CG 4.37Å; W129-E133 HydrophobicContact CH2-CG 4.01Å; W129-E133 VanDerWaalsContact CZ2-CD 3.48Å; W129-E133 HydrophobicContact CZ2-CG 3.6Å; W129-E133 HydrophobicContact CZ3-CG 4.32Å; W129-E133 WeakPolarHBondContact O-CB 3.24Å; W129-E133 WeakPolarHBondContact O-CG 3.13Å; W129-E133 PolarHBondContact O-N 3.15Å; V130-E133 PolarHBondContact O-N 3.36Å; K131-E133 VanDerWaalsContact C-N 3.32Å; K131-E133 PolarHBondContact O-N 3.02Å; E133-R138 WeakPolarHBondContact O-CB 3.45Å; E133-R138 PolarHBondContact O-N 3.22Å; E133-R138 IonicContact OE1-CZ 3.09Å; E133-R138 IonicContact OE1-NE 3.94Å; E133-R138 IonicContact OE1-NH1 3.03Å; E133-R138 PolarHBondContact OE1-NH1 2.8Å; E133-R138 IonicContact OE1-NH2 2.81Å; E133-R138 PolarHBondContact OE1-NH2 3.27Å; E133-R138 WeakPolarHBondContact OE2-CD 3.33Å; E133-R138 IonicContact OE2-CZ 2.86Å; E133-R138 IonicContact OE2-NE 3.19Å; E133-R138 PolarHBondContact OE2-NE 3.35Å; E133-R138 IonicContact OE2-NH1 2.58Å; E133-R138 PolarHBondContact OE2-NH1 2.65Å; E133-R138 IonicContact OE2-NH2 3.47Å; E133-R138 PolarHBondContact OE2-NH2 2.89Å; E133-V141 HydrophobicContact CB-CB 4.43Å; E133-V141 HydrophobicContact CB-CG1 3.96Å; E133-V141 HydrophobicContact CB-CG2 4.48Å
134	C	82.2	Confident	85.5	Confident	33 Å²	33	57.5 Å²	57.5	22%	0.223	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-43.9	170.1	-67.9	0	0	0	0	111.4	V130 K131 G137 Q203	V130-C134 PolarHBondContact O-N 3.15Å; V130-C134 PolarHBondContact O-SG 3.12Å; K131-C134 WeakPolarHBondContact O-CB 3.28Å; K131-C134 PolarHBondContact O-N 3.35Å; C134-G137 WeakPolarHBondContact O-CA 3.35Å; C134-G137 PolarHBondContact O-N 2.97Å; C134-Q203 PolarHBondContact SG-NE2 3.13Å; C134-Q203 PolarHBondContact SG-OE1 3.34Å
135	E	81.8	Confident	85.7	Confident	135 Å²	135	56.9 Å²	56.9	63%	0.631	27%	0.27	S	S	*	.	H	α-helix	trans	-66.2	-33.9	178.1	-72.4	168.8	174.7	0	0	112.7	K131 R132 G137	K131-E135 WeakPolarHBondContact CE-OE1 3.15Å; K131-E135 WeakPolarHBondContact CG-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.84Å; K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 2.92Å; R132-E135 PolarHBondContact O-N 2.63Å; E135-G137 PolarHBondContact O-N 3.46Å
136	E	85.1	Confident	85.8	Confident	94 Å²	94	57.8 Å²	57.8	44%	0.439	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-2	170	-74.3	178.6	-164.4	0	0	112.9	R132 R138	R132-E136 IonicContact CZ-OE1 3.38Å; R132-E136 VanDerWaalsContact CZ-OE1 3.27Å; R132-E136 IonicContact NE-OE1 2.7Å; R132-E136 PolarHBondContact NE-OE1 2.76Å; R132-E136 IonicContact NH2-OE1 2.86Å; R132-E136 PolarHBondContact NH2-OE1 2.72Å; R132-E136 WeakPolarHBondContact O-CG 3.32Å; R132-E136 PolarHBondContact O-N 3.27Å; E136-R138 IonicContact OE2-CZ 3.62Å; E136-R138 IonicContact OE2-NE 3.56Å; E136-R138 IonicContact OE2-NH2 2.87Å; E136-R138 PolarHBondContact OE2-NH2 3.44Å
137	G	77.2	Confident	85.8	Confident	55 Å²	55	57.7 Å²	57.7	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	18.3	178.6	0	0	0	0	0	114.4	C134 E135 K139	C134-G137 WeakPolarHBondContact O-CA 3.35Å; C134-G137 PolarHBondContact O-N 2.97Å; E135-G137 PolarHBondContact O-N 3.46Å; G137-K139 PolarHBondContact O-N 3.01Å; G137-K139 VanDerWaalsContact O-N 3.15Å
138	R	78.5	Confident	86.1	Confident	109 Å²	109	51.5 Å²	51.5	41%	0.411	25%	0.252	S	S	.	.			trans	-69.2	115.8	178.3	-63.9	-148.8	-160.2	145.4	17.2	110.7	E133 E136 V141	E133-R138 WeakPolarHBondContact O-CB 3.45Å; E133-R138 PolarHBondContact O-N 3.22Å; E133-R138 IonicContact OE1-CZ 3.09Å; E133-R138 IonicContact OE1-NE 3.94Å; E133-R138 IonicContact OE1-NH1 3.03Å; E133-R138 PolarHBondContact OE1-NH1 2.8Å; E133-R138 IonicContact OE1-NH2 2.81Å; E133-R138 PolarHBondContact OE1-NH2 3.27Å; E133-R138 WeakPolarHBondContact OE2-CD 3.33Å; E133-R138 IonicContact OE2-CZ 2.86Å; E133-R138 IonicContact OE2-NE 3.19Å; E133-R138 PolarHBondContact OE2-NE 3.35Å; E133-R138 IonicContact OE2-NH1 2.58Å; E133-R138 PolarHBondContact OE2-NH1 2.65Å; E133-R138 IonicContact OE2-NH2 3.47Å; E133-R138 PolarHBondContact OE2-NH2 2.89Å; E136-R138 IonicContact OE2-CZ 3.62Å; E136-R138 IonicContact OE2-NE 3.56Å; E136-R138 IonicContact OE2-NH2 2.87Å; E136-R138 PolarHBondContact OE2-NH2 3.44Å; R138-V141 HydrophobicContact CB-CG2 4.13Å
139	K	79.8	Confident	86.3	Confident	186 Å²	186	48 Å²	48	81%	0.809	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	148.6	173.7	-61.7	-175.5	-179.6	-178.4	0	110.4	G137 V141	G137-K139 PolarHBondContact O-N 3.01Å; G137-K139 VanDerWaalsContact O-N 3.15Å; K139-V141 VanDerWaalsContact C-N 3.32Å; K139-V141 PolarHBondContact O-N 2.77Å
140	N	81.4	Confident	86.5	Confident	101 Å²	101	48.9 Å²	48.9	54%	0.54	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	20.1	178.7	-45.7	-52.2	0	0	0	115.4	R78 Y142	R78-N140 PolarHBondContact NH2-O 3.06Å; N140-Y142 HydrophobicContact CB-CE2 4.34Å
141	V	86	Confident	86.7	Confident	18 Å²	18	49.3 Å²	49.3	11%	0.109	24%	0.243	C	C	.	.			trans	-107.4	131.5	168	-176.4	0	0	0	0	108.2	Y74 W129 V130 E133 R138 K139	Y74-V141 HydrophobicContact CE1-CG1 4.26Å; W129-V141 HydrophobicContact CH2-CG1 4.34Å; W129-V141 HydrophobicContact CZ3-CG1 3.98Å; V130-V141 HydrophobicContact CG1-CG1 4.16Å; E133-V141 HydrophobicContact CB-CB 4.43Å; E133-V141 HydrophobicContact CB-CG1 3.96Å; E133-V141 HydrophobicContact CB-CG2 4.48Å; R138-V141 HydrophobicContact CB-CG2 4.13Å; K139-V141 VanDerWaalsContact C-N 3.32Å; K139-V141 PolarHBondContact O-N 2.77Å
142	Y	87.6	Confident	87.2	Confident	37 Å²	37	46 Å²	46	15%	0.145	23%	0.229	C	C	.	.			trans	-141.1	150.3	-172.2	-51.7	-81.2	0	0	0	110.5	Y74 N140 T146 L147 I150	Y74-Y142 WeakPolarHBondContact CE2-O 3.35Å; Y74-Y142 PolarHBondContact OH-N 2.94Å; Y74-Y142 PolarHBondContact OH-O 3.02Å; N140-Y142 HydrophobicContact CB-CE2 4.34Å; Y142-T146 HydrophobicContact CD1-CG2 4.08Å; Y142-T146 HydrophobicContact CG-CG2 4.36Å; Y142-L147 HydrophobicContact CD2-CD1 4.45Å; Y142-I150 HydrophobicContact CD1-CD1 3.59Å; Y142-I150 HydrophobicContact CD2-CD1 3.7Å; Y142-I150 HydrophobicContact CE1-CD1 3.49Å; Y142-I150 VanDerWaalsContact CE1-CD1 3.49Å; Y142-I150 HydrophobicContact CE2-CD1 3.61Å; Y142-I150 HydrophobicContact CG-CD1 3.69Å
143	V	91.4	Very high	87.6	Confident	27 Å²	27	44.4 Å²	44.4	16%	0.164	22%	0.223	C	C	.	.			trans	-50.4	142	165	179.8	0	0	0	0	109.2	D119 N126 V130 Y145 T146 L147	D119-V143 WeakPolarHBondContact OD1-CG1 3.48Å; N126-V143 HydrophobicContact CB-CG1 4.43Å; V130-V143 HydrophobicContact CG1-CG2 4.29Å; V143-Y145 VanDerWaalsContact C-N 3.26Å; V143-Y145 PolarHBondContact O-N 3.25Å; V143-T146 CarbonylContact O-C 3.35Å; V143-T146 WeakPolarHBondContact O-CA 3.38Å; V143-T146 WeakPolarHBondContact O-CB 2.9Å; V143-T146 PolarHBondContact O-N 2.97Å; V143-L147 PolarHBondContact O-N 3.33Å
144	V	91.8	Very high	88	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-54.7	-40.9	-171.4	168.8	0	0	0	0	112.6	L77 L118 D119 C122 L125 N126 L147 A148	L77-V144 HydrophobicContact CD2-CB 4.22Å; L77-V144 HydrophobicContact CD2-CG1 3.77Å; L77-V144 HydrophobicContact CD2-CG2 3.39Å; L118-V144 HydrophobicContact CD2-CG1 3.89Å; L118-V144 HydrophobicContact CG-CG1 3.94Å; D119-V144 WeakPolarHBondContact OD1-CB 3.35Å; D119-V144 PolarHBondContact OD1-N 3.42Å; C122-V144 HydrophobicContact CB-CB 4.22Å; C122-V144 HydrophobicContact CB-CG1 4.3Å; C122-V144 HydrophobicContact CB-CG2 3.7Å; L125-V144 HydrophobicContact CD2-CG2 4.48Å; N126-V144 WeakPolarHBondContact OD1-CG2 3.39Å; N126-V144 PolarHBondContact OD1-N 3.23Å; V144-L147 WeakPolarHBondContact O-CB 3.48Å; V144-L147 PolarHBondContact O-N 3.15Å; V144-A148 PolarHBondContact O-N 2.91Å
145	Y	92.6	Very high	88.5	Confident	30 Å²	30	48.5 Å²	48.5	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-50.5	173.6	-170.2	-116.9	0	0	0	112.3	R112 R116 D119 V143 L147 A148 L149 E195	R112-Y145 WeakPolarHBondContact CG-OH 3.23Å; R116-Y145 HydrophobicContact CG-CD2 4.01Å; R116-Y145 HydrophobicContact CG-CE2 3.48Å; R116-Y145 VanDerWaalsContact CG-CE2 3.48Å; R116-Y145 PolarHBondContact NE-OH 2.99Å; D119-Y145 PolarHBondContact OD1-N 3.17Å; V143-Y145 VanDerWaalsContact C-N 3.26Å; V143-Y145 PolarHBondContact O-N 3.25Å; Y145-L147 VanDerWaalsContact C-N 3.29Å; Y145-L147 PolarHBondContact O-N 2.98Å; Y145-A148 WeakPolarHBondContact O-CA 3.42Å; Y145-A148 WeakPolarHBondContact O-CB 3.35Å; Y145-A148 PolarHBondContact O-N 3.38Å; Y145-L149 HydrophobicContact CD1-CD1 4.03Å; Y145-L149 HydrophobicContact CD1-CG 4.34Å; Y145-L149 HydrophobicContact CE1-CD1 3.72Å; Y145-L149 HydrophobicContact CE1-CD2 4.34Å; Y145-L149 HydrophobicContact CE1-CG 4.14Å; Y145-L149 HydrophobicContact CE2-CD2 4.5Å; Y145-L149 WeakPolarHBondContact O-CG 3.23Å; Y145-L149 PolarHBondContact O-N 3.24Å; Y145-E195 WeakPolarHBondContact CE1-OE1 3.2Å; Y145-E195 PolarHBondContact OH-OE1 2.74Å
146	T	90.6	Very high	89.1	Confident	18 Å²	18	42.1 Å²	42.1	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-37.7	176.8	-51.4	0	0	0	0	111.8	Y142 V143 A148 L149 I150	Y142-T146 HydrophobicContact CD1-CG2 4.08Å; Y142-T146 HydrophobicContact CG-CG2 4.36Å; V143-T146 CarbonylContact O-C 3.35Å; V143-T146 WeakPolarHBondContact O-CA 3.38Å; V143-T146 WeakPolarHBondContact O-CB 2.9Å; V143-T146 PolarHBondContact O-N 2.97Å; T146-A148 VanDerWaalsContact C-N 3.32Å; T146-A148 PolarHBondContact O-N 3.04Å; T146-L149 PolarHBondContact O-N 2.95Å; T146-I150 HydrophobicContact CG2-CD1 3.95Å; T146-I150 HydrophobicContact CG2-CG1 4.44Å; T146-I150 VanDerWaalsContact O-CG1 3.3Å; T146-I150 WeakPolarHBondContact O-CG1 3.33Å; T146-I150 PolarHBondContact O-N 3.39Å
147	L	91.7	Very high	89.5	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-42.9	173.2	177.8	67	0	0	0	111.1	Y74 R78 L81 Y142 V143 V144 Y145 T151	Y74-L147 HydrophobicContact CE1-CD2 4.46Å; Y74-L147 HydrophobicContact CE2-CD2 4Å; R78-L147 HydrophobicContact CB-CD2 4.11Å; R78-L147 HydrophobicContact CG-CD1 4.28Å; L81-L147 HydrophobicContact CD1-CD2 3.9Å; L81-L147 HydrophobicContact CD1-CG 3.94Å; Y142-L147 HydrophobicContact CD2-CD1 4.45Å; V143-L147 PolarHBondContact O-N 3.33Å; V144-L147 WeakPolarHBondContact O-CB 3.48Å; V144-L147 PolarHBondContact O-N 3.15Å; Y145-L147 VanDerWaalsContact C-N 3.29Å; Y145-L147 PolarHBondContact O-N 2.98Å; L147-T151 WeakPolarHBondContact O-CB 3.24Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 2.91Å
148	A	93.7	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-43.7	176	0	0	0	0	0	111.7	L81 F111 S115 V144 Y145 T146 T151 W152	L81-A148 HydrophobicContact CD1-CB 4.1Å; L81-A148 HydrophobicContact CD2-CB 4.05Å; F111-A148 HydrophobicContact CE1-CB 4.11Å; F111-A148 HydrophobicContact CZ-CB 3.97Å; S115-A148 WeakPolarHBondContact OG-CB 3.49Å; V144-A148 PolarHBondContact O-N 2.91Å; Y145-A148 WeakPolarHBondContact O-CA 3.42Å; Y145-A148 WeakPolarHBondContact O-CB 3.35Å; Y145-A148 PolarHBondContact O-N 3.38Å; T146-A148 VanDerWaalsContact C-N 3.32Å; T146-A148 PolarHBondContact O-N 3.04Å; A148-T151 PolarHBondContact O-N 2.98Å; A148-W152 WeakPolarHBondContact O-CB 3.45Å; A148-W152 PolarHBondContact O-N 3.42Å
149	L	92.8	Very high	91	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-46.9	175.8	-63.7	-172.5	0	0	0	112.5	W108 Y145 T146 T151 W152 R153 E195 L196 I198	W108-L149 HydrophobicContact CH2-CD2 3.56Å; W108-L149 HydrophobicContact CZ3-CD2 3.97Å; Y145-L149 HydrophobicContact CD1-CD1 4.03Å; Y145-L149 HydrophobicContact CD1-CG 4.34Å; Y145-L149 HydrophobicContact CE1-CD1 3.72Å; Y145-L149 HydrophobicContact CE1-CD2 4.34Å; Y145-L149 HydrophobicContact CE1-CG 4.14Å; Y145-L149 HydrophobicContact CE2-CD2 4.5Å; Y145-L149 WeakPolarHBondContact O-CG 3.23Å; Y145-L149 PolarHBondContact O-N 3.24Å; T146-L149 PolarHBondContact O-N 2.95Å; L149-T151 VanDerWaalsContact C-N 3.31Å; L149-T151 PolarHBondContact O-N 2.84Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.4Å; L149-R153 WeakPolarHBondContact O-CB 3.17Å; L149-R153 PolarHBondContact O-N 3.4Å; L149-E195 HydrophobicContact CD1-CG 4.09Å; L149-L196 HydrophobicContact CB-CD2 4.16Å; L149-L196 HydrophobicContact CD2-CD2 4.22Å; L149-L196 VanDerWaalsContact O-CD2 3.31Å; L149-L196 WeakPolarHBondContact O-CD2 3.36Å; L149-I198 HydrophobicContact CD1-CD1 4.42Å
150	I	90.5	Very high	91.7	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.128	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-42.6	176.7	-68.2	167.7	0	0	0	110.3	Y142 T146 W152 R153 E154	Y142-I150 HydrophobicContact CD1-CD1 3.59Å; Y142-I150 HydrophobicContact CD2-CD1 3.7Å; Y142-I150 HydrophobicContact CE1-CD1 3.49Å; Y142-I150 VanDerWaalsContact CE1-CD1 3.49Å; Y142-I150 HydrophobicContact CE2-CD1 3.61Å; Y142-I150 HydrophobicContact CG-CD1 3.69Å; T146-I150 HydrophobicContact CG2-CD1 3.95Å; T146-I150 HydrophobicContact CG2-CG1 4.44Å; T146-I150 VanDerWaalsContact O-CG1 3.3Å; T146-I150 WeakPolarHBondContact O-CG1 3.33Å; T146-I150 PolarHBondContact O-N 3.39Å; I150-W152 PolarHBondContact O-N 3.02Å; I150-R153 PolarHBondContact O-N 3.47Å; I150-E154 HydrophobicContact CG2-CG 4.29Å; I150-E154 WeakPolarHBondContact O-CG 3.35Å; I150-E154 PolarHBondContact O-N 2.94Å
151	T	92.9	Very high	92.2	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.055	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-45	178.4	-55.3	0	0	0	0	110.8	L81 K82 V85 L147 A148 L149 H155	L81-T151 HydrophobicContact CB-CG2 4.18Å; K82-T151 HydrophobicContact CB-CG2 4.26Å; V85-T151 HydrophobicContact CB-CG2 4.08Å; V85-T151 HydrophobicContact CG2-CG2 3.82Å; L147-T151 WeakPolarHBondContact O-CB 3.24Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 2.91Å; A148-T151 PolarHBondContact O-N 2.98Å; L149-T151 VanDerWaalsContact C-N 3.31Å; L149-T151 PolarHBondContact O-N 2.84Å; T151-H155 WeakPolarHBondContact O-CB 3.07Å; T151-H155 PolarHBondContact O-N 3.14Å
152	W	94.8	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-49.5	174	179.2	-79.7	0	0	0	111.7	L88 F104 A107 W108 F111 A148 L149 I150 E154 L156 L157 L196	L88-W152 HydrophobicContact CD1-CE3 4.38Å; L88-W152 HydrophobicContact CD1-CZ3 3.7Å; F104-W152 HydrophobicContact CD1-CZ2 4.39Å; A107-W152 HydrophobicContact CB-CH2 3.79Å; A107-W152 WeakPolarHBondContact O-CH2 3.46Å; W108-W152 HydrophobicContact CB-CH2 4.19Å; W108-W152 HydrophobicContact CB-CZ2 3.93Å; W108-W152 HydrophobicContact CE3-CD2 4.05Å; W108-W152 AromaticContact CE3-CE2 3.72Å; W108-W152 HydrophobicContact CE3-CG 4.48Å; W108-W152 HydrophobicContact CE3-CH2 4.43Å; W108-W152 AromaticContact CE3-CZ2 3.93Å; W108-W152 HydrophobicContact CE3-CZ2 3.93Å; W108-W152 AromaticContact CE3-NE1 3.97Å; W108-W152 HydrophobicContact CZ3-CD2 4.3Å; W108-W152 HydrophobicContact CZ3-CG 4.3Å; F111-W152 HydrophobicContact CB-CE3 3.78Å; F111-W152 HydrophobicContact CB-CH2 4.16Å; F111-W152 HydrophobicContact CB-CZ3 3.31Å; F111-W152 HydrophobicContact CD1-CB 4.44Å; F111-W152 AromaticContact CD1-CD2 3.97Å; F111-W152 HydrophobicContact CD1-CD2 3.97Å; F111-W152 AromaticContact CD1-CE3 3.22Å; F111-W152 HydrophobicContact CD1-CE3 3.22Å; F111-W152 HydrophobicContact CD1-CG 4.5Å; F111-W152 AromaticContact CD1-CZ3 3.75Å; F111-W152 HydrophobicContact CD1-CZ3 3.75Å; F111-W152 AromaticContact CD2-CE3 3.8Å; F111-W152 HydrophobicContact CD2-CE3 3.8Å; F111-W152 AromaticContact CD2-CZ3 3.95Å; F111-W152 HydrophobicContact CD2-CZ3 3.95Å; F111-W152 HydrophobicContact CE1-CB 3.82Å; F111-W152 HydrophobicContact CE1-CD2 4.22Å; F111-W152 AromaticContact CE1-CE3 3.65Å; F111-W152 HydrophobicContact CE1-CE3 3.65Å; F111-W152 HydrophobicContact CE1-CG 4.34Å; F111-W152 HydrophobicContact CE2-CE3 4.18Å; F111-W152 HydrophobicContact CG-CD2 4.43Å; F111-W152 AromaticContact CG-CE3 3.3Å; F111-W152 HydrophobicContact CG-CE3 3.3Å; F111-W152 AromaticContact CG-CZ3 3.39Å; F111-W152 HydrophobicContact CG-CZ3 3.39Å; F111-W152 HydrophobicContact CZ-CB 4.28Å; F111-W152 HydrophobicContact CZ-CE3 4.11Å; A148-W152 WeakPolarHBondContact O-CB 3.45Å; A148-W152 PolarHBondContact O-N 3.42Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.4Å; I150-W152 PolarHBondContact O-N 3.02Å; W152-E154 PolarHBondContact O-N 3.27Å; W152-L156 HydrophobicContact CD2-CB 4.48Å; W152-L156 HydrophobicContact CD2-CD2 3.8Å; W152-L156 HydrophobicContact CE3-CD2 3.63Å; W152-L156 HydrophobicContact CH2-CD2 3.3Å; W152-L156 HydrophobicContact CZ2-CD2 3.48Å; W152-L156 VanDerWaalsContact CZ2-CD2 3.48Å; W152-L156 HydrophobicContact CZ2-CG 4.44Å; W152-L156 HydrophobicContact CZ3-CD2 3.39Å; W152-L156 WeakPolarHBondContact O-CA 3.22Å; W152-L156 WeakPolarHBondContact O-CB 3.46Å; W152-L156 PolarHBondContact O-N 3.27Å; W152-L157 PolarHBondContact O-N 3.04Å; W152-L196 HydrophobicContact CB-CD2 4.2Å; W152-L196 HydrophobicContact CG-CD2 4.14Å
153	R	92.7	Very high	92.9	Very high	42 Å²	42	36.7 Å²	36.7	16%	0.158	17%	0.172	C	C	.	.	I	π-helix	trans	-57.1	-53	-179.7	-172.8	-176.5	70	-158.9	5	111.9	L149 I150 L157 K158 L196 V297	L149-R153 WeakPolarHBondContact O-CB 3.17Å; L149-R153 PolarHBondContact O-N 3.4Å; I150-R153 PolarHBondContact O-N 3.47Å; R153-L157 HydrophobicContact CG-CD2 4.45Å; R153-K158 WeakPolarHBondContact O-CB 3.47Å; R153-K158 PolarHBondContact O-N 2.88Å; R153-L196 HydrophobicContact CB-CD2 4.26Å; R153-V297 HydrophobicContact CG-CG2 4.45Å
154	E	91.8	Very high	93.1	Very high	63 Å²	63	35.5 Å²	35.5	29%	0.294	17%	0.165	S	C	.	.	I	π-helix	trans	-74.6	-33.7	-173.5	-64.1	-54.2	140	0	0	113.2	I150 W152 K158	I150-E154 HydrophobicContact CG2-CG 4.29Å; I150-E154 WeakPolarHBondContact O-CG 3.35Å; I150-E154 PolarHBondContact O-N 2.94Å; W152-E154 PolarHBondContact O-N 3.27Å; E154-K158 IonicContact OE2-NZ 3.38Å; E154-K158 PolarHBondContact OE2-NZ 3.46Å
155	H	94	Very high	93.3	Very high	61 Å²	61	36 Å²	36	28%	0.282	17%	0.167	S	C	.	.	I	π-helix	trans	-107.1	-16.5	-170.4	-62.9	-50.8	0	0	0	115	K82 V85 K89 T151	K82-H155 WeakPolarHBondContact CE-NE2 3.38Å; V85-H155 HydrophobicContact CG1-CB 3.73Å; K89-H155 WeakPolarHBondContact CD-O 3.22Å; T151-H155 WeakPolarHBondContact O-CB 3.07Å; T151-H155 PolarHBondContact O-N 3.14Å
156	L	94.4	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-120.7	-52.2	177.8	-175.2	62.7	0	0	0	113.2	V85 L88 K89 F104 W152 P159 H160	V85-L156 HydrophobicContact CG1-CB 3.66Å; L88-L156 HydrophobicContact CB-CD1 4.39Å; L88-L156 HydrophobicContact CB-CD2 4.06Å; L88-L156 HydrophobicContact CD1-CD2 4.36Å; K89-L156 VanDerWaalsContact CA-CD1 3.44Å; K89-L156 HydrophobicContact CB-CD1 3.98Å; F104-L156 HydrophobicContact CE1-CG 4.12Å; F104-L156 HydrophobicContact CZ-CD1 4.48Å; F104-L156 HydrophobicContact CZ-CG 4.32Å; W152-L156 HydrophobicContact CD2-CB 4.48Å; W152-L156 HydrophobicContact CD2-CD2 3.8Å; W152-L156 HydrophobicContact CE3-CD2 3.63Å; W152-L156 HydrophobicContact CH2-CD2 3.3Å; W152-L156 HydrophobicContact CZ2-CD2 3.48Å; W152-L156 VanDerWaalsContact CZ2-CD2 3.48Å; W152-L156 HydrophobicContact CZ2-CG 4.44Å; W152-L156 HydrophobicContact CZ3-CD2 3.39Å; W152-L156 WeakPolarHBondContact O-CA 3.22Å; W152-L156 WeakPolarHBondContact O-CB 3.46Å; W152-L156 PolarHBondContact O-N 3.27Å; L156-P159 WeakPolarHBondContact O-CD 3.22Å; L156-H160 PolarHBondContact O-ND1 2.68Å
157	L	93.7	Very high	93.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.171	C	C	.	.	I	π-helix	trans	-65.2	-57.4	-179.8	176.1	64.2	0	0	0	110.9	W152 R153 H160 A161 L164 L193 L196 V297	W152-L157 PolarHBondContact O-N 3.04Å; R153-L157 HydrophobicContact CG-CD2 4.45Å; L157-H160 CarbonylContact O-C 3.46Å; L157-H160 PolarHBondContact O-N 2.88Å; L157-A161 HydrophobicContact CD1-CB 4.49Å; L157-A161 WeakPolarHBondContact O-CA 3.43Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 2.87Å; L157-L164 HydrophobicContact CD1-CD2 3.77Å; L157-L193 HydrophobicContact CD1-CD2 3.81Å; L157-L193 HydrophobicContact CD2-CD2 3.7Å; L157-L193 HydrophobicContact CG-CD2 4.43Å; L157-L196 HydrophobicContact CB-CD1 4.4Å; L157-L196 HydrophobicContact CD2-CD1 3.62Å; L157-V297 HydrophobicContact CD2-CG1 3.72Å
158	K	92.9	Very high	93.8	Very high	114 Å²	114	35.5 Å²	35.5	50%	0.496	17%	0.17	S	C	.	.	H	α-helix	trans	-54.7	-42.6	-173.4	-175.6	174.3	-174.7	171.6	0	113.9	R153 E154 H160	R153-K158 WeakPolarHBondContact O-CB 3.47Å; R153-K158 PolarHBondContact O-N 2.88Å; E154-K158 IonicContact OE2-NZ 3.38Å; E154-K158 PolarHBondContact OE2-NZ 3.46Å; K158-H160 VanDerWaalsContact C-N 3.33Å; K158-H160 PolarHBondContact O-N 3.21Å
159	P	93.6	Very high	93.9	Very high	65 Å²	65	36.8 Å²	36.8	42%	0.422	18%	0.176	S	C	.	.	H	α-helix	trans	-65.2	-28.6	174.1	-24.5	35.8	0	0	0	115.3	K89 L156	K89-P159 HydrophobicContact CD-CG 4.4Å; L156-P159 WeakPolarHBondContact O-CD 3.22Å
160	H	94.5	Very high	93.9	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.06	19%	0.194	C	C	.	.	H	α-helix	trans	-106.5	-3.9	-175.5	-64.5	97.5	0	0	0	113.6	G92 N93 F104 L156 L157 K158 R162 V163 L164	G92-H160 PolarHBondContact O-NE2 3.44Å; N93-H160 PolarHBondContact OD1-NE2 3Å; F104-H160 HydrophobicContact CE2-CB 3.79Å; F104-H160 HydrophobicContact CZ-CB 3.5Å; F104-H160 AromaticContact CZ-CG 3.85Å; L156-H160 PolarHBondContact O-ND1 2.68Å; L157-H160 CarbonylContact O-C 3.46Å; L157-H160 PolarHBondContact O-N 2.88Å; K158-H160 VanDerWaalsContact C-N 3.33Å; K158-H160 PolarHBondContact O-N 3.21Å; H160-R162 VanDerWaalsContact C-N 3.28Å; H160-R162 PolarHBondContact O-N 3.45Å; H160-R162 VanDerWaalsContact O-N 3.16Å; H160-V163 PolarHBondContact O-N 3.11Å; H160-L164 PolarHBondContact O-N 3.41Å
161	A	93.1	Very high	94	Very high	6 Å²	6	41 Å²	41	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-43.4	-167.7	0	0	0	0	0	112.1	L157 V163 L164 I165 Y301	L157-A161 HydrophobicContact CD1-CB 4.49Å; L157-A161 WeakPolarHBondContact O-CA 3.43Å; L157-A161 WeakPolarHBondContact O-CB 3.43Å; L157-A161 PolarHBondContact O-N 2.87Å; A161-V163 PolarHBondContact O-N 3.15Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-I165 VanDerWaalsContact O-CB 3.28Å; A161-I165 WeakPolarHBondContact O-CB 3.45Å; A161-I165 WeakPolarHBondContact O-CG1 3.48Å; A161-I165 PolarHBondContact O-N 2.82Å; A161-Y301 HydrophobicContact CB-CD1 3.45Å; A161-Y301 VanDerWaalsContact CB-CD1 3.45Å; A161-Y301 HydrophobicContact CB-CE1 3.51Å
162	R	93.3	Very high	94.1	Very high	227 Å²	227	40.7 Å²	40.7	86%	0.857	19%	0.189	S	C	*	.	H	α-helix	trans	-57.8	-45.8	177.9	-177	177.6	174.7	165.1	-0.5	112.6	H160 S166	H160-R162 VanDerWaalsContact C-N 3.28Å; H160-R162 PolarHBondContact O-N 3.45Å; H160-R162 VanDerWaalsContact O-N 3.16Å; R162-S166 WeakPolarHBondContact O-CB 3.22Å; R162-S166 PolarHBondContact O-N 2.96Å; R162-S166 VanDerWaalsContact O-N 3.07Å
163	V	94.4	Very high	94.1	Very high	60 Å²	60	42.7 Å²	42.7	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-71.8	-45.1	-178	-175.8	0	0	0	0	110.2	T100 H160 A161 S166 A167	T100-V163 HydrophobicContact CG2-CG1 4.22Å; H160-V163 PolarHBondContact O-N 3.11Å; A161-V163 PolarHBondContact O-N 3.15Å; V163-S166 PolarHBondContact O-N 3.2Å; V163-A167 WeakPolarHBondContact O-CB 3.25Å; V163-A167 PolarHBondContact O-N 3.23Å
164	L	95	Very high	94.1	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-52.7	178.6	177.8	61.5	0	0	0	111.8	T100 L101 F104 L157 H160 A161 S166 A167 I168 I189	T100-L164 HydrophobicContact CG2-CB 4.33Å; T100-L164 HydrophobicContact CG2-CD1 4.15Å; L101-L164 HydrophobicContact CD2-CD1 4.05Å; F104-L164 HydrophobicContact CB-CD1 3.92Å; F104-L164 HydrophobicContact CD1-CD2 3.8Å; F104-L164 HydrophobicContact CD2-CD1 3.84Å; F104-L164 HydrophobicContact CD2-CD2 4.29Å; F104-L164 HydrophobicContact CD2-CG 4.45Å; F104-L164 HydrophobicContact CE1-CD2 4.03Å; F104-L164 HydrophobicContact CE2-CB 4.5Å; F104-L164 HydrophobicContact CG-CD1 3.82Å; F104-L164 HydrophobicContact CG-CD2 3.95Å; F104-L164 HydrophobicContact CG-CG 4.45Å; F104-L164 HydrophobicContact CZ-CD2 4.4Å; L157-L164 HydrophobicContact CD1-CD2 3.77Å; H160-L164 PolarHBondContact O-N 3.41Å; A161-L164 PolarHBondContact O-N 3.31Å; L164-S166 VanDerWaalsContact C-N 3.32Å; L164-S166 PolarHBondContact O-N 2.81Å; L164-A167 PolarHBondContact O-N 3.3Å; L164-I168 HydrophobicContact CD1-CD1 4.35Å; L164-I168 HydrophobicContact CG-CD1 4.18Å; L164-I168 WeakPolarHBondContact O-CG1 3.31Å; L164-I168 PolarHBondContact O-N 3.05Å; L164-I189 HydrophobicContact CD1-CG2 4.11Å; L164-I189 HydrophobicContact CD2-CG2 4.31Å; L164-I189 HydrophobicContact CG-CG2 4.49Å
165	I	95.7	Very high	94.1	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-42.1	-179.5	-61.7	-61.4	0	0	0	110.2	A161 A167 I168 L169 L193 Y301 F302 P305	A161-I165 VanDerWaalsContact O-CB 3.28Å; A161-I165 WeakPolarHBondContact O-CB 3.45Å; A161-I165 WeakPolarHBondContact O-CG1 3.48Å; A161-I165 PolarHBondContact O-N 2.82Å; I165-A167 VanDerWaalsContact C-N 3.3Å; I165-A167 PolarHBondContact O-N 3.42Å; I165-I168 HydrophobicContact CD1-CD1 4.23Å; I165-I168 PolarHBondContact O-N 3.44Å; I165-L169 HydrophobicContact CG2-CD1 4.09Å; I165-L169 HydrophobicContact CG2-CG 4.28Å; I165-L169 WeakPolarHBondContact O-CG 3.5Å; I165-L169 PolarHBondContact O-N 3.07Å; I165-L193 HydrophobicContact CD1-CD1 3.94Å; I165-Y301 WeakPolarHBondContact CD1-O 3.33Å; I165-Y301 VanDerWaalsContact CG1-O 3.24Å; I165-Y301 WeakPolarHBondContact CG1-O 3.36Å; I165-Y301 WeakPolarHBondContact CG2-O 3.48Å; I165-F302 HydrophobicContact CD1-CB 3.86Å; I165-F302 HydrophobicContact CD1-CD2 4.28Å; I165-P305 HydrophobicContact CG2-CB 4.2Å
166	S	95.3	Very high	94.1	Very high	42 Å²	42	41.7 Å²	41.7	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-37.8	176.5	-171.8	0	0	0	0	112.8	R162 V163 L164 R170	R162-S166 WeakPolarHBondContact O-CB 3.22Å; R162-S166 PolarHBondContact O-N 2.96Å; R162-S166 VanDerWaalsContact O-N 3.07Å; V163-S166 PolarHBondContact O-N 3.2Å; L164-S166 VanDerWaalsContact C-N 3.32Å; L164-S166 PolarHBondContact O-N 2.81Å; S166-R170 PolarHBondContact O-N 3.11Å; S166-R170 VanDerWaalsContact O-N 3.15Å; S166-R170 PolarHBondContact OG-NH1 3.24Å; S166-R170 PolarHBondContact OG-NH2 2.81Å
167	A	94.6	Very high	93.9	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-41.7	175.1	0	0	0	0	0	112	L101 V163 L164 I165 R170 E171	L101-A167 HydrophobicContact CD1-CB 4.48Å; L101-A167 HydrophobicContact CD2-CB 3.92Å; L101-A167 HydrophobicContact CG-CB 3.98Å; V163-A167 WeakPolarHBondContact O-CB 3.25Å; V163-A167 PolarHBondContact O-N 3.23Å; L164-A167 PolarHBondContact O-N 3.3Å; I165-A167 VanDerWaalsContact C-N 3.3Å; I165-A167 PolarHBondContact O-N 3.42Å; A167-R170 PolarHBondContact O-N 2.81Å; A167-E171 PolarHBondContact O-N 3.07Å
168	I	95.5	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-48.2	175.3	-64.7	168.4	0	0	0	110.2	L101 L164 I165 R170 E171 I172 L186 I189 I190 F302	L101-I168 HydrophobicContact CD2-CG1 3.6Å; L164-I168 HydrophobicContact CD1-CD1 4.35Å; L164-I168 HydrophobicContact CG-CD1 4.18Å; L164-I168 WeakPolarHBondContact O-CG1 3.31Å; L164-I168 PolarHBondContact O-N 3.05Å; I165-I168 HydrophobicContact CD1-CD1 4.23Å; I165-I168 PolarHBondContact O-N 3.44Å; I168-R170 PolarHBondContact O-N 3.38Å; I168-E171 WeakPolarHBondContact O-CB 3.42Å; I168-E171 PolarHBondContact O-N 3.47Å; I168-I172 HydrophobicContact CG2-CD1 3.83Å; I168-I172 HydrophobicContact CG2-CG1 4.39Å; I168-I172 WeakPolarHBondContact O-CG1 3.15Å; I168-I172 PolarHBondContact O-N 2.95Å; I168-L186 HydrophobicContact CG1-CD2 4.38Å; I168-L186 HydrophobicContact CG2-CD2 4.16Å; I168-I189 HydrophobicContact CD1-CG2 3.7Å; I168-I189 HydrophobicContact CG1-CG2 4.46Å; I168-I190 HydrophobicContact CD1-CD1 4.48Å; I168-F302 HydrophobicContact CG2-CD2 4.1Å; I168-F302 HydrophobicContact CG2-CE2 3.54Å
169	L	95.9	Very high	93.6	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-39.5	-178.1	-65.5	179.6	0	0	0	112.5	I165 I172 E173 F302 P305 F306 E309	I165-L169 HydrophobicContact CG2-CD1 4.09Å; I165-L169 HydrophobicContact CG2-CG 4.28Å; I165-L169 WeakPolarHBondContact O-CG 3.5Å; I165-L169 PolarHBondContact O-N 3.07Å; L169-I172 PolarHBondContact O-N 3.23Å; L169-E173 PolarHBondContact O-N 3.33Å; L169-F302 HydrophobicContact CD2-CE2 4.35Å; L169-P305 HydrophobicContact CD1-CB 4.09Å; L169-F306 HydrophobicContact CD2-CB 3.87Å; L169-F306 HydrophobicContact CD2-CD2 4.12Å; L169-E309 HydrophobicContact CD1-CB 4.34Å
170	R	93.5	Very high	93.1	Very high	103 Å²	103	55.8 Å²	55.8	39%	0.389	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-41.9	173.9	-80.2	-169.3	-74.8	-86	-3.8	112.3	D97 S166 A167 I168 I172 E173 R174	D97-R170 IonicContact OD1-CZ 3.43Å; D97-R170 IonicContact OD1-NE 2.77Å; D97-R170 PolarHBondContact OD1-NE 3.46Å; D97-R170 IonicContact OD1-NH2 3.24Å; D97-R170 PolarHBondContact OD1-NH2 2.92Å; S166-R170 PolarHBondContact O-N 3.11Å; S166-R170 VanDerWaalsContact O-N 3.15Å; S166-R170 PolarHBondContact OG-NH1 3.24Å; S166-R170 PolarHBondContact OG-NH2 2.81Å; A167-R170 PolarHBondContact O-N 2.81Å; I168-R170 PolarHBondContact O-N 3.38Å; R170-I172 VanDerWaalsContact C-N 3.34Å; R170-E173 PolarHBondContact O-N 3.03Å; R170-R174 WeakPolarHBondContact O-CG 3.11Å; R170-R174 PolarHBondContact O-N 3.35Å
171	E	93.4	Very high	92.6	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.065	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-41.5	177.2	-162.6	76.3	160.1	0	0	111.3	L101 A167 I168 R174 E175 L181 R185 L186	L101-E171 HydrophobicContact CD1-CB 4.19Å; L101-E171 HydrophobicContact CD1-CG 4.28Å; A167-E171 PolarHBondContact O-N 3.07Å; I168-E171 WeakPolarHBondContact O-CB 3.42Å; I168-E171 PolarHBondContact O-N 3.47Å; E171-R174 PolarHBondContact O-N 3.32Å; E171-R174 IonicContact OE1-NH1 3.3Å; E171-R174 IonicContact OE2-CZ 2.73Å; E171-R174 IonicContact OE2-NH1 3.42Å; E171-R174 PolarHBondContact OE2-NH1 3.06Å; E171-E175 PolarHBondContact O-N 2.84Å; E171-L181 HydrophobicContact CG-CD1 3.8Å; E171-L181 WeakPolarHBondContact O-CD1 3.43Å; E171-R185 IonicContact OE1-NH2 3.02Å; E171-R185 PolarHBondContact OE1-NH2 3.46Å; E171-L186 HydrophobicContact CB-CD2 4.44Å; E171-L186 HydrophobicContact CG-CD1 4.2Å; E171-L186 HydrophobicContact CG-CD2 4.35Å
172	I	94.9	Very high	92	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-39	175.1	-62.4	171.9	0	0	0	111.5	I168 L169 R170 R174 E175 R176 L186 F302 F306 Y348	I168-I172 HydrophobicContact CG2-CD1 3.83Å; I168-I172 HydrophobicContact CG2-CG1 4.39Å; I168-I172 WeakPolarHBondContact O-CG1 3.15Å; I168-I172 PolarHBondContact O-N 2.95Å; L169-I172 PolarHBondContact O-N 3.23Å; R170-I172 VanDerWaalsContact C-N 3.34Å; I172-R174 VanDerWaalsContact C-N 3.34Å; I172-R174 PolarHBondContact O-N 3.39Å; I172-E175 WeakPolarHBondContact O-CB 3.37Å; I172-E175 PolarHBondContact O-N 3Å; I172-R176 PolarHBondContact O-N 3.42Å; I172-L186 HydrophobicContact CG1-CD1 4.29Å; I172-F302 HydrophobicContact CD1-CE2 4.09Å; I172-F302 HydrophobicContact CD1-CZ 4.06Å; I172-F306 HydrophobicContact CD1-CD2 3.92Å; I172-F306 HydrophobicContact CD1-CE2 4.03Å; I172-F306 HydrophobicContact CG2-CE2 4.1Å; I172-Y348 HydrophobicContact CD1-CE2 4.21Å; I172-Y348 HydrophobicContact CG1-CE2 4.27Å
173	E	94.1	Very high	91.7	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-40.7	176	-171.5	-178.6	164.9	0	0	111.9	L169 R170 R176 R177 Y313	L169-E173 PolarHBondContact O-N 3.33Å; R170-E173 PolarHBondContact O-N 3.03Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 2.99Å; E173-R177 WeakPolarHBondContact O-CG 3.1Å; E173-R177 PolarHBondContact O-N 3.14Å; E173-R177 VanDerWaalsContact O-N 3.11Å; E173-R177 IonicContact OE1-CZ 3.27Å; E173-R177 IonicContact OE1-NE 3.71Å; E173-R177 PolarHBondContact OE1-NE 3.2Å; E173-R177 IonicContact OE1-NH2 2.72Å; E173-R177 PolarHBondContact OE1-NH2 3.28Å; E173-Y313 HydrophobicContact CG-CD2 4.19Å; E173-Y313 HydrophobicContact CG-CE2 4.18Å
174	R	92.2	Very high	91.4	Very high	92 Å²	92	53.2 Å²	53.2	35%	0.347	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-42.6	173.7	-71.7	174.2	64.7	-151.6	3.7	111.8	R170 E171 I172 R176 R177 G178 E179 L181	R170-R174 WeakPolarHBondContact O-CG 3.11Å; R170-R174 PolarHBondContact O-N 3.35Å; E171-R174 PolarHBondContact O-N 3.32Å; E171-R174 IonicContact OE1-NH1 3.3Å; E171-R174 IonicContact OE2-CZ 2.73Å; E171-R174 IonicContact OE2-NH1 3.42Å; E171-R174 PolarHBondContact OE2-NH1 3.06Å; I172-R174 VanDerWaalsContact C-N 3.34Å; I172-R174 PolarHBondContact O-N 3.39Å; R174-R176 VanDerWaalsContact C-N 3.35Å; R174-R176 PolarHBondContact O-N 3.27Å; R174-R177 WeakPolarHBondContact O-CB 3.43Å; R174-R177 PolarHBondContact O-N 3.42Å; R174-R177 VanDerWaalsContact O-N 3.09Å; R174-G178 PolarHBondContact O-N 3.03Å; R174-E179 HydrophobicContact CB-CB 4.33Å; R174-E179 HydrophobicContact CB-CG 4.44Å; R174-E179 IonicContact CZ-OE2 3.52Å; R174-E179 IonicContact NE-OE1 2.78Å; R174-E179 IonicContact NE-OE2 3.12Å; R174-E179 PolarHBondContact NE-OE2 2.92Å; R174-E179 IonicContact NH2-OE2 2.65Å; R174-E179 PolarHBondContact NH2-OE2 3.25Å; R174-E179 WeakPolarHBondContact O-CB 3.44Å; R174-E179 PolarHBondContact O-N 3.14Å; R174-E179 VanDerWaalsContact O-N 3.15Å; R174-L181 HydrophobicContact CB-CD1 3.73Å
175	E	92.5	Very high	91.2	Very high	46 Å²	46	53.9 Å²	53.9	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-44.4	173.4	-172.4	-172	-145	0	0	111.4	E171 I172 R177 G178 L181 R344 Y348	E171-E175 PolarHBondContact O-N 2.84Å; I172-E175 WeakPolarHBondContact O-CB 3.37Å; I172-E175 PolarHBondContact O-N 3Å; E175-R177 PolarHBondContact O-N 3Å; E175-G178 PolarHBondContact O-N 2.73Å; E175-L181 HydrophobicContact CB-CD1 4.11Å; E175-R344 IonicContact OE2-CZ 2.74Å; E175-R344 IonicContact OE2-NE 2.8Å; E175-R344 PolarHBondContact OE2-NE 3.43Å; E175-R344 IonicContact OE2-NH2 2.69Å; E175-R344 PolarHBondContact OE2-NH2 2.69Å; E175-Y348 PolarHBondContact OE2-OH 3.37Å
176	R	93	Very high	91	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.03	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-27.4	175.9	-72.9	179.2	173.4	142.5	6.3	113.4	I172 E173 R174 G178 T310 Y313 R337 E341	I172-R176 PolarHBondContact O-N 3.42Å; E173-R176 WeakPolarHBondContact O-CB 3.46Å; E173-R176 PolarHBondContact O-N 2.99Å; R174-R176 VanDerWaalsContact C-N 3.35Å; R174-R176 PolarHBondContact O-N 3.27Å; R176-G178 PolarHBondContact O-N 2.89Å; R176-T310 PolarHBondContact NH1-OG1 3.13Å; R176-T310 PolarHBondContact NH2-OG1 3.34Å; R176-Y313 HydrophobicContact CB-CE1 4.12Å; R176-Y313 HydrophobicContact CB-CE2 4.24Å; R176-Y313 HydrophobicContact CG-CE1 4.48Å; R176-R337 PolarHBondContact O-NH1 2.86Å; R176-R337 PolarHBondContact O-NH2 3.43Å; R176-E341 IonicContact CZ-OE1 2.81Å; R176-E341 IonicContact NE-OE1 3.62Å; R176-E341 PolarHBondContact NE-OE1 2.83Å; R176-E341 IonicContact NH2-OE1 3.9Å; R176-E341 PolarHBondContact NH2-OE1 2.9Å; R176-E341 IonicContact NH2-OE2 3.34Å; R176-E341 PolarHBondContact NH2-OE2 3.12Å
177	R	91.7	Very high	90.9	Very high	161 Å²	161	54.1 Å²	54.1	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.3	174.4	-67	174.1	-176	-81	-0.7	113.1	E173 R174 E175	E173-R177 WeakPolarHBondContact O-CG 3.1Å; E173-R177 PolarHBondContact O-N 3.14Å; E173-R177 VanDerWaalsContact O-N 3.11Å; E173-R177 IonicContact OE1-CZ 3.27Å; E173-R177 IonicContact OE1-NE 3.71Å; E173-R177 PolarHBondContact OE1-NE 3.2Å; E173-R177 IonicContact OE1-NH2 2.72Å; E173-R177 PolarHBondContact OE1-NH2 3.28Å; R174-R177 WeakPolarHBondContact O-CB 3.43Å; R174-R177 PolarHBondContact O-N 3.42Å; R174-R177 VanDerWaalsContact O-N 3.09Å; E175-R177 PolarHBondContact O-N 3Å
178	G	88.2	Confident	90.8	Very high	63 Å²	63	56.8 Å²	56.8	65%	0.649	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	9.1	176.4	0	0	0	0	0	114.3	R174 E175 R176	R174-G178 PolarHBondContact O-N 3.03Å; E175-G178 PolarHBondContact O-N 2.73Å; R176-G178 PolarHBondContact O-N 2.89Å
179	E	91.1	Very high	90.7	Very high	79 Å²	79	57 Å²	57	37%	0.369	28%	0.283	S	S	.	.			trans	-74.4	133.8	174.9	-61.7	-177.9	-131.9	0	0	110.8	R174 L181	R174-E179 HydrophobicContact CB-CB 4.33Å; R174-E179 HydrophobicContact CB-CG 4.44Å; R174-E179 IonicContact CZ-OE2 3.52Å; R174-E179 IonicContact NE-OE1 2.78Å; R174-E179 IonicContact NE-OE2 3.12Å; R174-E179 PolarHBondContact NE-OE2 2.92Å; R174-E179 IonicContact NH2-OE2 2.65Å; R174-E179 PolarHBondContact NH2-OE2 3.25Å; R174-E179 WeakPolarHBondContact O-CB 3.44Å; R174-E179 PolarHBondContact O-N 3.14Å; R174-E179 VanDerWaalsContact O-N 3.15Å; E179-L181 HydrophobicContact CB-CD2 4.39Å; E179-L181 HydrophobicContact CB-CG 4.32Å; E179-L181 PolarHBondContact O-N 2.84Å
180	I	83.8	Confident	90.6	Very high	173 Å²	173	55.8 Å²	55.8	89%	0.887	28%	0.277	S	S	*	.			trans	-83.6	114	177.7	-58.2	172.4	0	0	0	108.7
181	L	82.9	Confident	90.5	Very high	35 Å²	35	53 Å²	53	18%	0.183	27%	0.268	C	S	.	.			trans	-122.9	156.3	-174.3	-57.4	171.2	0	0	0	111.5	E171 R174 E175 E179 T183	E171-L181 HydrophobicContact CG-CD1 3.8Å; E171-L181 WeakPolarHBondContact O-CD1 3.43Å; R174-L181 HydrophobicContact CB-CD1 3.73Å; E175-L181 HydrophobicContact CB-CD1 4.11Å; E179-L181 HydrophobicContact CB-CD2 4.39Å; E179-L181 HydrophobicContact CB-CG 4.32Å; E179-L181 PolarHBondContact O-N 2.84Å; L181-T183 PolarHBondContact O-N 3.22Å
182	S	80.8	Confident	90.4	Very high	74 Å²	74	52.7 Å²	52.7	52%	0.517	27%	0.267	S	S	.	.			trans	-74.7	96.3	177.2	-178.7	0	0	0	0	111	L184 R185	S182-L184 PolarHBondContact O-N 2.97Å; S182-R185 PolarHBondContact O-N 3.26Å
183	T	87.2	Confident	90.3	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.27	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-21.1	178.8	56.9	0	0	0	0	113.2	L181 R185 L186 R187 T347 Y348	L181-T183 PolarHBondContact O-N 3.22Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 2.68Å; T183-L186 PolarHBondContact O-N 2.9Å; T183-R187 WeakPolarHBondContact O-CB 3.18Å; T183-R187 PolarHBondContact O-N 3.32Å; T183-T347 HydrophobicContact CG2-CG2 4.1Å; T183-Y348 HydrophobicContact CG2-CD1 3.95Å; T183-Y348 HydrophobicContact CG2-CE1 3.9Å
184	L	87.5	Confident	90.2	Very high	99 Å²	99	51.5 Å²	51.5	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-37.4	179.2	-174.9	64.3	0	0	0	112.4	S182 R187 K188	S182-L184 PolarHBondContact O-N 2.97Å; L184-R187 PolarHBondContact O-N 3.05Å; L184-K188 WeakPolarHBondContact O-CG 3.11Å; L184-K188 PolarHBondContact O-N 2.84Å
185	R	90.5	Very high	90.1	Very high	16 Å²	16	48.4 Å²	48.4	6%	0.06	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-49.4	176	175.1	169.5	71.5	-166.4	-2.5	110.8	E98 L101 S102 E105 E171 S182 T183 R187 K188 I189	E98-R185 IonicContact OE1-NH1 2.63Å; E98-R185 PolarHBondContact OE1-NH1 2.96Å; E98-R185 IonicContact OE1-NH2 3.61Å; L101-R185 HydrophobicContact CB-CG 4.31Å; S102-R185 PolarHBondContact OG-NH1 3.28Å; E105-R185 HydrophobicContact CB-CG 4.08Å; E105-R185 HydrophobicContact CG-CG 4.28Å; E105-R185 WeakPolarHBondContact OE2-CB 3.45Å; E105-R185 VanDerWaalsContact OE2-CG 3.22Å; E105-R185 WeakPolarHBondContact OE2-CG 3.46Å; E171-R185 IonicContact OE1-NH2 3.02Å; E171-R185 PolarHBondContact OE1-NH2 3.46Å; S182-R185 PolarHBondContact O-N 3.26Å; T183-R185 VanDerWaalsContact C-N 3.31Å; T183-R185 PolarHBondContact O-N 2.68Å; R185-R187 VanDerWaalsContact C-N 3.32Å; R185-R187 PolarHBondContact O-N 3.03Å; R185-K188 PolarHBondContact O-N 3.5Å; R185-I189 HydrophobicContact CG-CD1 3.91Å; R185-I189 WeakPolarHBondContact O-CG1 3.28Å; R185-I189 PolarHBondContact O-N 2.93Å; R185-I189 VanDerWaalsContact O-N 3.16Å
186	L	92.8	Very high	90	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-45.1	177.5	-66	-176.4	0	0	0	110.8	L101 I168 E171 I172 T183 K188 I189 I190 Y348	L101-L186 HydrophobicContact CD1-CD2 4.42Å; I168-L186 HydrophobicContact CG1-CD2 4.38Å; I168-L186 HydrophobicContact CG2-CD2 4.16Å; E171-L186 HydrophobicContact CB-CD2 4.44Å; E171-L186 HydrophobicContact CG-CD1 4.2Å; E171-L186 HydrophobicContact CG-CD2 4.35Å; I172-L186 HydrophobicContact CG1-CD1 4.29Å; T183-L186 PolarHBondContact O-N 2.9Å; L186-K188 PolarHBondContact O-N 3.41Å; L186-I189 PolarHBondContact O-N 3.47Å; L186-I189 VanDerWaalsContact O-N 3.16Å; L186-I190 WeakPolarHBondContact O-CB 3.48Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 3.21Å; L186-Y348 HydrophobicContact CB-CD2 4Å; L186-Y348 HydrophobicContact CB-CE2 4.36Å; L186-Y348 HydrophobicContact CB-CG 4.21Å; L186-Y348 HydrophobicContact CD1-CD2 4.42Å; L186-Y348 HydrophobicContact CD1-CE1 4.41Å; L186-Y348 HydrophobicContact CD1-CE2 3.97Å
187	R	93.1	Very high	89.3	Confident	55 Å²	55	45.9 Å²	45.9	21%	0.208	24%	0.241	C	C	.	.	H	α-helix	trans	-53.3	-51.8	177.2	-178.6	175.8	173.4	163.1	8.3	112.2	T183 L184 R185 I189 I190 E191 S285	T183-R187 WeakPolarHBondContact O-CB 3.18Å; T183-R187 PolarHBondContact O-N 3.32Å; L184-R187 PolarHBondContact O-N 3.05Å; R185-R187 VanDerWaalsContact C-N 3.32Å; R185-R187 PolarHBondContact O-N 3.03Å; R187-I189 VanDerWaalsContact C-N 3.32Å; R187-I189 PolarHBondContact O-N 2.65Å; R187-I190 PolarHBondContact O-N 3.07Å; R187-E191 HydrophobicContact CG-CG 4.41Å; R187-E191 WeakPolarHBondContact CG-OE1 3.4Å; R187-E191 IonicContact CZ-OE1 2.88Å; R187-E191 IonicContact NE-OE1 2.76Å; R187-E191 PolarHBondContact NE-OE1 2.93Å; R187-E191 IonicContact NH2-OE1 2.75Å; R187-E191 WeakPolarHBondContact O-CB 3.46Å; R187-E191 VanDerWaalsContact O-CG 3.28Å; R187-E191 WeakPolarHBondContact O-CG 3.33Å; R187-E191 PolarHBondContact O-N 3.43Å; R187-S285 PolarHBondContact NH2-O 3.32Å; R187-S285 PolarHBondContact NH2-OG 2.78Å
188	K	91.9	Very high	88.1	Confident	57 Å²	57	40.2 Å²	40.2	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-37.5	-179.9	-70.8	174.2	-175.8	172.3	0	112.9	E105 L184 R185 L186 C192	E105-K188 HydrophobicContact CG-CB 4.15Å; E105-K188 HydrophobicContact CG-CD 3.63Å; E105-K188 WeakPolarHBondContact OE1-CD 3.38Å; E105-K188 IonicContact OE1-NZ 3.96Å; E105-K188 PolarHBondContact OE1-NZ 3.09Å; L184-K188 WeakPolarHBondContact O-CG 3.11Å; L184-K188 PolarHBondContact O-N 2.84Å; R185-K188 PolarHBondContact O-N 3.5Å; L186-K188 PolarHBondContact O-N 3.41Å; K188-C192 PolarHBondContact O-N 3.35Å
189	I	93.3	Very high	86.5	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-39	178	-62.8	168	0	0	0	110.6	L101 E105 L164 I168 R185 L186 R187 C192 L193	L101-I189 HydrophobicContact CB-CD1 4.07Å; L101-I189 HydrophobicContact CD2-CD1 3.85Å; L101-I189 WeakPolarHBondContact O-CD1 2.86Å; E105-I189 HydrophobicContact CB-CD1 4.44Å; E105-I189 HydrophobicContact CB-CG1 4.3Å; L164-I189 HydrophobicContact CD1-CG2 4.11Å; L164-I189 HydrophobicContact CD2-CG2 4.31Å; L164-I189 HydrophobicContact CG-CG2 4.49Å; I168-I189 HydrophobicContact CD1-CG2 3.7Å; I168-I189 HydrophobicContact CG1-CG2 4.46Å; R185-I189 HydrophobicContact CG-CD1 3.91Å; R185-I189 WeakPolarHBondContact O-CG1 3.28Å; R185-I189 PolarHBondContact O-N 2.93Å; R185-I189 VanDerWaalsContact O-N 3.16Å; L186-I189 PolarHBondContact O-N 3.47Å; L186-I189 VanDerWaalsContact O-N 3.16Å; R187-I189 VanDerWaalsContact C-N 3.32Å; R187-I189 PolarHBondContact O-N 2.65Å; I189-C192 WeakPolarHBondContact O-CB 3.39Å; I189-C192 PolarHBondContact O-N 2.78Å; I189-L193 PolarHBondContact O-N 2.81Å
190	I	93.8	Very high	84.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-68.6	-41.2	175.8	-66.3	-58.7	0	0	0	111.1	I168 L186 R187 C192 L193 V194 Y298 F302 Y348 L349	I168-I190 HydrophobicContact CD1-CD1 4.48Å; L186-I190 WeakPolarHBondContact O-CB 3.48Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.45Å; L186-I190 PolarHBondContact O-N 3.21Å; R187-I190 PolarHBondContact O-N 3.07Å; I190-C192 PolarHBondContact O-N 3.44Å; I190-L193 HydrophobicContact CD1-CD1 4.13Å; I190-L193 PolarHBondContact O-N 3.34Å; I190-V194 HydrophobicContact CG2-CG2 4.5Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 3.4Å; I190-Y298 HydrophobicContact CD1-CE2 4.41Å; I190-Y298 HydrophobicContact CG2-CD2 4.11Å; I190-Y298 HydrophobicContact CG2-CE2 3.58Å; I190-F302 HydrophobicContact CD1-CD1 3.85Å; I190-F302 HydrophobicContact CD1-CD2 3.77Å; I190-F302 HydrophobicContact CD1-CE1 3.85Å; I190-F302 HydrophobicContact CD1-CE2 3.77Å; I190-F302 HydrophobicContact CD1-CG 3.8Å; I190-F302 HydrophobicContact CD1-CZ 3.8Å; I190-Y348 WeakPolarHBondContact CB-O 3.24Å; I190-Y348 VanDerWaalsContact CG2-O 3.29Å; I190-Y348 WeakPolarHBondContact CG2-O 3.18Å; I190-L349 HydrophobicContact CD1-CD2 4.49Å; I190-L349 HydrophobicContact CG1-CD2 4.29Å
191	E	91.1	Very high	82.9	Confident	45 Å²	45	36.6 Å²	36.6	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-37.7	171.9	-76.8	173.9	-174.4	0	0	111.7	R187 V194 E195 L287	R187-E191 HydrophobicContact CG-CG 4.41Å; R187-E191 WeakPolarHBondContact CG-OE1 3.4Å; R187-E191 IonicContact CZ-OE1 2.88Å; R187-E191 IonicContact NE-OE1 2.76Å; R187-E191 PolarHBondContact NE-OE1 2.93Å; R187-E191 IonicContact NH2-OE1 2.75Å; R187-E191 WeakPolarHBondContact O-CB 3.46Å; R187-E191 VanDerWaalsContact O-CG 3.28Å; R187-E191 WeakPolarHBondContact O-CG 3.33Å; R187-E191 PolarHBondContact O-N 3.43Å; E191-V194 PolarHBondContact O-N 2.96Å; E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.47Å; E191-L287 HydrophobicContact CG-CD1 4.29Å; E191-L287 HydrophobicContact CG-CD2 3.75Å
192	C	92.8	Very high	81.3	Confident	7 Å²	7	38 Å²	38	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-51.9	170.7	-178.5	0	0	0	0	111.6	W108 K188 I189 I190 V194 E195 L196	W108-C192 HydrophobicContact CD2-CB 3.64Å; W108-C192 VanDerWaalsContact CE2-CB 3.47Å; W108-C192 HydrophobicContact CE3-CB 4.36Å; W108-C192 HydrophobicContact CG-CB 3.7Å; W108-C192 HydrophobicContact CZ2-CB 4.04Å; K188-C192 PolarHBondContact O-N 3.35Å; I189-C192 WeakPolarHBondContact O-CB 3.39Å; I189-C192 PolarHBondContact O-N 2.78Å; I190-C192 PolarHBondContact O-N 3.44Å; C192-V194 VanDerWaalsContact C-N 3.29Å; C192-V194 PolarHBondContact O-N 3Å; C192-E195 PolarHBondContact O-N 2.85Å; C192-L196 WeakPolarHBondContact O-CB 3.27Å; C192-L196 WeakPolarHBondContact O-CG 3.33Å; C192-L196 PolarHBondContact O-N 2.69Å; C192-L196 VanDerWaalsContact SG-CD1 3.53Å
193	L	93	Very high	79.7	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-35.5	-178.7	-62.5	178.8	0	0	0	113	L157 I165 I189 I190 V297 Y298 F302	L157-L193 HydrophobicContact CD1-CD2 3.81Å; L157-L193 HydrophobicContact CD2-CD2 3.7Å; L157-L193 HydrophobicContact CG-CD2 4.43Å; I165-L193 HydrophobicContact CD1-CD1 3.94Å; I189-L193 PolarHBondContact O-N 2.81Å; I190-L193 HydrophobicContact CD1-CD1 4.13Å; I190-L193 PolarHBondContact O-N 3.34Å; L193-V297 HydrophobicContact CD2-CG1 4.44Å; L193-Y298 HydrophobicContact CB-CD2 4.22Å; L193-Y298 PolarHBondContact O-N 2.91Å; L193-F302 HydrophobicContact CD1-CB 3.57Å; L193-F302 HydrophobicContact CD1-CG 4.18Å
194	V	91.1	Very high	77.3	Confident	18 Å²	18	39.9 Å²	39.9	11%	0.109	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-48.9	174.8	173	0	0	0	0	110.6	I190 E191 C192 L196 G197 L295 Y298 H350	I190-V194 HydrophobicContact CG2-CG2 4.5Å; I190-V194 WeakPolarHBondContact O-CG2 3.32Å; I190-V194 PolarHBondContact O-N 3.4Å; E191-V194 PolarHBondContact O-N 2.96Å; C192-V194 VanDerWaalsContact C-N 3.29Å; C192-V194 PolarHBondContact O-N 3Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 2.8Å; V194-G197 PolarHBondContact O-N 3.14Å; V194-L295 HydrophobicContact CG1-CD2 3.83Å; V194-Y298 HydrophobicContact CG2-CD2 3.81Å; V194-Y298 HydrophobicContact CG2-CE2 4.42Å; V194-Y298 HydrophobicContact CG2-CG 3.93Å; V194-H350 HydrophobicContact CG2-CB 4.08Å
195	E	89.6	Confident	75	Confident	26 Å²	26	39.1 Å²	39.1	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-30.3	-176	-169.1	163.6	-176.6	0	0	112.9	W108 R112 R116 Y145 L149 E191 C192 G197 I198	W108-E195 HydrophobicContact CZ2-CB 4.21Å; W108-E195 HydrophobicContact CZ2-CG 4.44Å; R112-E195 IonicContact CZ-OE1 3.46Å; R112-E195 IonicContact CZ-OE2 3.74Å; R112-E195 VanDerWaalsContact CZ-OE2 3.22Å; R112-E195 IonicContact NE-OE1 2.7Å; R112-E195 PolarHBondContact NE-OE1 3.28Å; R112-E195 IonicContact NE-OE2 3.36Å; R112-E195 PolarHBondContact NE-OE2 3.36Å; R112-E195 IonicContact NH2-OE1 3.62Å; R112-E195 IonicContact NH2-OE2 2.75Å; R112-E195 PolarHBondContact NH2-OE2 2.99Å; R116-E195 IonicContact NH2-OE1 3.4Å; Y145-E195 WeakPolarHBondContact CE1-OE1 3.2Å; Y145-E195 PolarHBondContact OH-OE1 2.74Å; L149-E195 HydrophobicContact CD1-CG 4.09Å; E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.47Å; C192-E195 PolarHBondContact O-N 2.85Å; E195-G197 PolarHBondContact O-N 3.41Å; E195-I198 HydrophobicContact CG-CD1 4.27Å; E195-I198 WeakPolarHBondContact O-CG1 3.5Å; E195-I198 PolarHBondContact O-N 3.42Å
196	L	90	Very high	72	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.6	177.6	-70.4	173.3	0	0	0	114.6	W108 L149 W152 R153 L157 C192 V194 I198 V297	W108-L196 HydrophobicContact CH2-CD2 4.26Å; W108-L196 HydrophobicContact CH2-CG 4.46Å; W108-L196 HydrophobicContact CZ3-CD2 4.12Å; L149-L196 HydrophobicContact CB-CD2 4.16Å; L149-L196 HydrophobicContact CD2-CD2 4.22Å; L149-L196 VanDerWaalsContact O-CD2 3.31Å; L149-L196 WeakPolarHBondContact O-CD2 3.36Å; W152-L196 HydrophobicContact CB-CD2 4.2Å; W152-L196 HydrophobicContact CG-CD2 4.14Å; R153-L196 HydrophobicContact CB-CD2 4.26Å; L157-L196 HydrophobicContact CB-CD1 4.4Å; L157-L196 HydrophobicContact CD2-CD1 3.62Å; C192-L196 WeakPolarHBondContact O-CB 3.27Å; C192-L196 WeakPolarHBondContact O-CG 3.33Å; C192-L196 PolarHBondContact O-N 2.69Å; C192-L196 VanDerWaalsContact SG-CD1 3.53Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 2.8Å; L196-I198 VanDerWaalsContact C-N 3.35Å; L196-V297 HydrophobicContact CB-CG1 4.09Å
197	G	79.9	Confident	68.9	Low	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.8	178.1	0	0	0	0	0	114.7	V194 E195 T199 N294	V194-G197 PolarHBondContact O-N 3.14Å; E195-G197 PolarHBondContact O-N 3.41Å; G197-T199 PolarHBondContact O-N 2.83Å; G197-N294 CarbonylContact C-O 3.36Å; G197-N294 WeakPolarHBondContact CA-O 3.35Å; G197-N294 VanDerWaalsContact O-CB 3.22Å; G197-N294 WeakPolarHBondContact O-CB 3.2Å; G197-N294 VanDerWaalsContact O-CG 3.25Å
198	I	66.6	Low	65.6	Low	43 Å²	43	49.3 Å²	49.3	22%	0.221	28%	0.283	C	S	.	.			trans	-57.5	122.1	178.1	-58.6	169.2	0	0	0	110.2	L149 E195 L196	L149-I198 HydrophobicContact CD1-CD1 4.42Å; E195-I198 HydrophobicContact CG-CD1 4.27Å; E195-I198 WeakPolarHBondContact O-CG1 3.5Å; E195-I198 PolarHBondContact O-N 3.42Å; L196-I198 VanDerWaalsContact C-N 3.35Å
199	T	53.6	Low	62.4	Low	40 Å²	40	52 Å²	52	25%	0.245	31%	0.305	C	S	.	.			trans	-122	167.7	-179.1	33.2	0	0	0	0	110.8	G197 D201 Q202 N294	G197-T199 PolarHBondContact O-N 2.83Å; T199-D201 PolarHBondContact O-N 3.1Å; T199-Q202 PolarHBondContact O-N 3.43Å; T199-N294 PolarHBondContact OG1-ND2 3.03Å
200	S	52.9	Low	59.1	Low	47 Å²	47	59.5 Å²	59.5	33%	0.329	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-49.3	-32.9	-167.7	47.3	0	0	0	0	115.3	Q202	S200-Q202 PolarHBondContact O-N 2.97Å
201	D	47.7	Very low	55.8	Low	151 Å²	151	65.8 Å²	65.8	81%	0.807	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-79.3	7.3	-165.3	-56.2	-9.8	0	0	0	113.2	T199	T199-D201 PolarHBondContact O-N 3.1Å
202	Q	48.5	Very low	52.6	Low	66 Å²	66	66.2 Å²	66.2	31%	0.308	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-115.1	21.2	-177.1	-58	-173.9	-6.3	0	0	113.6	T199 S200 S204 R292	T199-Q202 PolarHBondContact O-N 3.43Å; S200-Q202 PolarHBondContact O-N 2.97Å; Q202-S204 PolarHBondContact O-N 3.14Å; Q202-R292 PolarHBondContact NE2-O 2.76Å; Q202-R292 PolarHBondContact OE1-O 3.28Å
203	Q	47.5	Very low	49.3	Very low	60 Å²	60	72.6 Å²	72.6	28%	0.28	44%	0.438	S	S	.	.			trans	-74.2	82.7	175.2	-69.3	179.7	22	0	0	111.2	C134 F205	C134-Q203 PolarHBondContact SG-NE2 3.13Å; C134-Q203 PolarHBondContact SG-OE1 3.34Å; Q203-F205 HydrophobicContact CB-CE2 4.3Å; Q203-F205 PolarHBondContact O-N 2.92Å
204	S	35.6	Very low	45.9	Very low	96 Å²	96	78.8 Å²	78.8	67%	0.671	48%	0.476	S	S	*	.			trans	-79.5	107.2	156.8	48.5	0	0	0	0	108.6	Q202 S206	Q202-S204 PolarHBondContact O-N 3.14Å; S204-S206 PolarHBondContact O-N 2.63Å
205	F	40.3	Very low	42.7	Very low	84 Å²	84	85 Å²	85	37%	0.368	51%	0.514	S	S	.	.			trans	-71.2	67	165.4	-73.1	-83.7	0	0	0	109.4	K131 Q203 T207	K131-F205 HydrophobicContact CB-CE1 3.86Å; K131-F205 HydrophobicContact CB-CE2 4.22Å; K131-F205 HydrophobicContact CB-CZ 3.53Å; K131-F205 HydrophobicContact CD-CD1 4.04Å; K131-F205 HydrophobicContact CD-CD2 4.24Å; K131-F205 HydrophobicContact CD-CE1 3.91Å; K131-F205 HydrophobicContact CD-CE2 4.12Å; K131-F205 HydrophobicContact CD-CG 4.21Å; K131-F205 HydrophobicContact CD-CZ 3.96Å; K131-F205 HydrophobicContact CG-CD2 4.31Å; K131-F205 HydrophobicContact CG-CE1 3.96Å; K131-F205 HydrophobicContact CG-CE2 3.73Å; K131-F205 HydrophobicContact CG-CZ 3.54Å; Q203-F205 HydrophobicContact CB-CE2 4.3Å; Q203-F205 PolarHBondContact O-N 2.92Å; F205-T207 VanDerWaalsContact C-N 3.28Å; F205-T207 PolarHBondContact O-N 2.68Å
206	S	27.5	Very low	39.6	Very low	93 Å²	93	88.9 Å²	88.9	65%	0.65	54%	0.544	S	S	*	.			trans	-77.9	82.1	173.3	-58.8	0	0	0	0	109	S204 S208	S204-S206 PolarHBondContact O-N 2.63Å; S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 3.46Å
207	T	26.6	Very low	36.7	Very low	93 Å²	93	95.1 Å²	95.1	57%	0.571	58%	0.584	S	S	*	*			trans	-69	90.1	159.8	8.5	0	0	0	0	107.8	F205 T209	F205-T207 VanDerWaalsContact C-N 3.28Å; F205-T207 PolarHBondContact O-N 2.68Å; T207-T209 PolarHBondContact O-N 2.5Å; T207-T209 PolarHBondContact O-OG1 2.94Å
208	S	24	Very low	34	Very low	103 Å²	103	100.4 Å²	100.4	72%	0.72	62%	0.621	S	S	*	*			trans	-67.7	86.8	163.6	-63.8	0	0	0	0	108.2	S206 L210	S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 3.46Å; S208-L210 PolarHBondContact O-N 2.86Å
209	T	24.9	Very low	32	Very low	114 Å²	114	107.1 Å²	107.1	70%	0.699	65%	0.652	S	S	*	*			trans	-70.6	89.3	163.3	-25.4	0	0	0	0	105.7	T207 T211	T207-T209 PolarHBondContact O-N 2.5Å; T207-T209 PolarHBondContact O-OG1 2.94Å; T209-T211 PolarHBondContact O-N 3.38Å
210	L	23.8	Very low	30.6	Very low	161 Å²	161	110.8 Å²	110.8	84%	0.843	68%	0.676	S	S	*	*			trans	-68.8	78.9	172.4	-79.9	158.6	0	0	0	108.9	S208	S208-L210 PolarHBondContact O-N 2.86Å
211	T	25.1	Very low	29.4	Very low	133 Å²	133	116.6 Å²	116.6	82%	0.816	70%	0.703	S	S	*	*			trans	-92.4	91.3	156.1	52.5	0	0	0	0	106.6	T209	T209-T211 PolarHBondContact O-N 3.38Å
212	G	23.5	Very low	28.5	Very low	54 Å²	54	113.3 Å²	113.3	56%	0.557	69%	0.69	S	S	*	*			trans	179.3	85.4	-177.1	0	0	0	0	0	110	T214	G212-T214 PolarHBondContact O-N 2.7Å
213	T	23.7	Very low	27.6	Very low	141 Å²	141	121.1 Å²	121.1	87%	0.865	72%	0.718	S	S	*	*			trans	-61.2	91.8	169.3	44.5	0	0	0	0	109.9
214	T	22.5	Very low	27	Very low	131 Å²	131	119.8 Å²	119.8	80%	0.804	71%	0.713	S	S	*	*			trans	-163.3	139.7	152.6	34.6	0	0	0	0	110.4	G212	G212-T214 PolarHBondContact O-N 2.7Å
215	T	23.4	Very low	26.7	Very low	148 Å²	148	119.2 Å²	119.2	91%	0.908	70%	0.7	S	S	*	*			trans	-67.2	117.3	-170.7	44.6	0	0	0	0	113.6
216	S	24	Very low	26.2	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	72%	0.723	S	S	*	*			trans	-147	142.1	154.9	53	0	0	0	0	109.1	S218	S216-S218 PolarHBondContact O-N 2.66Å
217	P	28.3	Very low	26.2	Very low	132 Å²	132	125.8 Å²	125.8	86%	0.857	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-77.2	116.8	-155.7	29.2	-32.2	0	0	0	112.5
218	S	25	Very low	26.2	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-73.4	127.6	175	55.2	0	0	0	0	111.6	S216	S216-S218 PolarHBondContact O-N 2.66Å
219	E	23.4	Very low	26.2	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-52.8	137.3	168.2	-78.5	-177.5	138.5	0	0	111.5
220	P	24.9	Very low	26.3	Very low	117 Å²	117	133.8 Å²	133.8	76%	0.76	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-76.7	134.8	-174.3	-5	21.6	0	0	0	112
221	L	26.8	Very low	26.3	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.2	170.1	-78.9	165	0	0	0	111.2	Y223	L221-Y223 PolarHBondContact O-N 2.83Å
222	P	29.2	Very low	26.3	Very low	83 Å²	83	135.6 Å²	135.6	54%	0.539	74%	0.744	S	S	.	*			trans	-69.7	115.8	-174.4	-17.1	29.5	0	0	0	114	F113 L224	F113-P222 HydrophobicContact CE2-CB 4.33Å; P222-L224 PolarHBondContact O-N 2.77Å
223	Y	29.8	Very low	26.5	Very low	229 Å²	229	138.5 Å²	138.5	90%	0.898	75%	0.753	S	S	*	*	S	Bend	trans	36.1	22.8	147.9	-63.8	-77.3	0	0	0	123.7	L221	L221-Y223 PolarHBondContact O-N 2.83Å
224	L	35.4	Very low	26.6	Very low	33 Å²	33	137.6 Å²	137.6	17%	0.173	75%	0.75	C	S	.	*	S	Bend	trans	-105.9	-10.8	161.5	-87.1	-174.2	0	0	0	114.9	T27 F113 V117 P222	T27-L224 HydrophobicContact CG2-CD2 4.05Å; F113-L224 HydrophobicContact CE1-CD1 3.47Å; F113-L224 VanDerWaalsContact CE1-CD1 3.47Å; F113-L224 HydrophobicContact CE1-CG 4.01Å; F113-L224 HydrophobicContact CZ-CB 4.39Å; F113-L224 HydrophobicContact CZ-CD1 3.56Å; F113-L224 HydrophobicContact CZ-CG 3.74Å; V117-L224 HydrophobicContact CG2-CD1 4.43Å; P222-L224 PolarHBondContact O-N 2.77Å
225	M	29.4	Very low	26.8	Very low	83 Å²	83	141 Å²	141	41%	0.409	75%	0.754	S	S	.	*	S	Bend	trans	-117.9	107.5	169	-70	-156.2	178.5	0	0	109.4	R30	R30-M225 VanDerWaalsContact CA-CE 3.41Å; R30-M225 HydrophobicContact CB-CE 3.46Å; R30-M225 VanDerWaalsContact CB-CE 3.46Å; R30-M225 HydrophobicContact CB-SD 3.94Å; R30-M225 HydrophobicContact CG-CE 3.75Å; R30-M225 HydrophobicContact CG-SD 4.25Å
226	K	28.7	Very low	27	Very low	196 Å²	196	139.3 Å²	139.3	85%	0.852	75%	0.745	S	S	*	*			trans	-56.7	129.8	168.9	-73.7	-176.5	177.6	-180	0	108.8	F228	K226-F228 PolarHBondContact O-N 3.33Å
227	P	26.9	Very low	27.1	Very low	120 Å²	120	139.5 Å²	139.5	78%	0.779	75%	0.746	S	S	*	*			trans	-62.7	129.7	179.5	22.2	-29.6	0	0	0	110	K229	P227-K229 PolarHBondContact O-N 3.3Å; P227-K229 VanDerWaalsContact O-N 3.12Å
228	F	26.7	Very low	26.9	Very low	184 Å²	184	136.9 Å²	136.9	81%	0.807	74%	0.743	S	S	*	*			trans	-62.1	109.9	173.2	-102.4	-99.8	0	0	0	108.4	K226 S230	K226-F228 PolarHBondContact O-N 3.33Å; F228-S230 PolarHBondContact O-N 3.07Å; F228-S230 VanDerWaalsContact O-N 3.09Å
229	K	24.4	Very low	26.9	Very low	189 Å²	189	136.9 Å²	136.9	82%	0.822	74%	0.743	S	S	*	*			trans	-64.6	105.5	168.2	-74.3	-176.4	175	-176.2	0	108.1	P227 N231	P227-K229 PolarHBondContact O-N 3.3Å; P227-K229 VanDerWaalsContact O-N 3.12Å; K229-N231 PolarHBondContact O-N 2.72Å; K229-N231 VanDerWaalsContact O-N 3.16Å
230	S	26.9	Very low	27.1	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	74%	0.742	S	S	*	*			trans	-70.4	106	164	56.1	0	0	0	0	107.9	F228 F232	F228-S230 PolarHBondContact O-N 3.07Å; F228-S230 VanDerWaalsContact O-N 3.09Å; S230-F232 PolarHBondContact O-N 2.84Å
231	N	25.2	Very low	27.1	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	75%	0.745	S	S	*	*			trans	-62.5	91.7	171.4	-75.8	-21.1	0	0	0	109.7	K229	K229-N231 PolarHBondContact O-N 2.72Å; K229-N231 VanDerWaalsContact O-N 3.16Å
232	F	25.1	Very low	26.9	Very low	182 Å²	182	136.8 Å²	136.8	80%	0.798	74%	0.743	S	S	*	*			trans	-104.2	123.4	146.9	-85.4	-78.4	0	0	0	107.5	S230	S230-F232 PolarHBondContact O-N 2.84Å
233	P	26.3	Very low	26.7	Very low	115 Å²	115	138.7 Å²	138.7	75%	0.747	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-69.6	129.9	-174.7	28.1	-32.1	0	0	0	109.6
234	P	27.6	Very low	26.4	Very low	123 Å²	123	135.1 Å²	135.1	80%	0.799	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-75.9	127.3	176	30.1	-30.6	0	0	0	109.5
235	K	25.5	Very low	26	Very low	203 Å²	203	143.1 Å²	143.1	88%	0.883	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.1	147.5	163.9	-93.5	-176.9	175.2	178.7	0	109.8
236	P	26.7	Very low	25.6	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-91.2	134.7	-152.8	5.9	13.2	0	0	0	113.4
237	S	26.6	Very low	25.3	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	80%	0.797	S	S	*	*			trans	37.1	93.9	137.1	61.5	0	0	0	0	118.6
238	G	25.3	Very low	25.1	Very low	77 Å²	77	142.9 Å²	142.9	79%	0.794	80%	0.795	S	S	*	*			trans	-82.5	113.5	148.9	0	0	0	0	0	109.4
239	S	24.8	Very low	24.9	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	80%	0.795	S	S	*	*			trans	-71.9	124.4	175.8	51.8	0	0	0	0	111.5
240	T	26.6	Very low	24.8	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	78%	0.784	S	S	*	*			trans	-147.4	94.5	162.3	3.8	0	0	0	0	111.1
241	V	25.4	Very low	24.5	Very low	134 Å²	134	137.9 Å²	137.9	81%	0.812	79%	0.787	S	S	*	*			trans	17.7	117.7	141.9	-174.6	0	0	0	0	117.4
242	K	22.4	Very low	24.5	Very low	196 Å²	196	140.2 Å²	140.2	85%	0.852	79%	0.791	S	S	*	*			trans	-54.3	126.7	162.5	-69.6	176.6	174	-179.9	0	111.3
243	P	25.9	Very low	24.3	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	80%	0.795	S	S	*	*			trans	-90.4	111.2	158.7	30.1	-19.7	0	0	0	108.9
244	N	23.6	Very low	24.2	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	79%	0.793	S	S	*	*			trans	-57.1	132.7	147.2	-91.1	-12.7	0	0	0	107.7
245	K	25.6	Very low	24	Very low	201 Å²	201	138.9 Å²	138.9	87%	0.874	79%	0.794	S	S	*	*			trans	-156.2	109.7	143.8	-110.7	169.9	-172.6	-169.5	0	110.6
246	S	22.2	Very low	24	Very low	95 Å²	95	134.9 Å²	134.9	66%	0.664	79%	0.792	S	S	*	*			trans	-47.6	140.7	155.6	45.9	0	0	0	0	112.8
247	E	21.9	Very low	23.9	Very low	177 Å²	177	137 Å²	137	83%	0.827	80%	0.797	S	S	*	*				56.2	145.5	129.1	-60.1	-175.1	143.2	0	0	122.2
248	V	22.7	Very low	23.8	Very low	122 Å²	122	141.2 Å²	141.2	74%	0.739	80%	0.801	S	S	*	*			trans	91.2	136.4	151.8	-145.3	0	0	0	0	117.4
249	E	21.9	Very low	23.8	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	80%	0.804	S	S	*	*			trans	92	144.6	155.6	-56.8	-171.4	165.5	0	0	118
250	S	22.7	Very low	23.9	Very low	85 Å²	85	144.4 Å²	144.4	59%	0.594	80%	0.8	S	S	*	*			cis	-162.3	153.8	-37.4	46.9	0	0	0	0	104.3	F252	S250-F252 PolarHBondContact O-N 3.23Å
251	S	20.8	Very low	24.1	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	79%	0.791	S	S	*	*			trans	-43.8	120.6	171.7	43	0	0	0	0	113.6
252	F	24.5	Very low	24.5	Very low	200 Å²	200	143.5 Å²	143.5	88%	0.877	79%	0.791	S	S	*	*			trans	-115.4	106.9	159.4	-116.2	-92.2	0	0	0	109.1	S250	S250-F252 PolarHBondContact O-N 3.23Å
253	Q	21.3	Very low	25.3	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	78%	0.784	S	S	*	*			trans	-75.9	116.9	168.4	-78.6	174.8	-29.4	0	0	108.9
254	G	25	Very low	26.5	Very low	69 Å²	69	140.1 Å²	140.1	71%	0.711	76%	0.762	S	S	*	*			trans	-111.8	94.6	173.1	0	0	0	0	0	111.4
255	T	23.4	Very low	27.5	Very low	132 Å²	132	135.1 Å²	135.1	81%	0.81	75%	0.747	S	S	*	*			trans	28.1	110.7	145.3	52.7	0	0	0	0	120.7	N257	T255-N257 PolarHBondContact O-N 3.45Å
256	S	23.9	Very low	28.8	Very low	120 Å²	120	129 Å²	129	84%	0.839	73%	0.728	S	S	*	*			trans	-7.7	101.8	146	-171.1	0	0	0	0	116.9
257	N	25.9	Very low	30.3	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	71%	0.708	S	S	*	*			trans	-98.2	123.2	157.5	-93.6	-20	0	0	0	108.5	T255 T259	T255-N257 PolarHBondContact O-N 3.45Å; N257-T259 PolarHBondContact O-N 3.25Å; N257-T259 VanDerWaalsContact O-N 3.12Å
258	K	24.7	Very low	31.4	Very low	201 Å²	201	124 Å²	124	87%	0.874	70%	0.695	S	S	*	*			trans	-48.4	114.8	175.5	-73.3	176.2	174.2	178.3	0	110.2	V260	K258-V260 PolarHBondContact O-N 2.83Å; K258-V260 VanDerWaalsContact O-N 3.15Å
259	T	25.7	Very low	32.1	Very low	139 Å²	139	124.5 Å²	124.5	85%	0.853	70%	0.701	S	S	*	*			trans	-64.4	107.5	174.3	11	0	0	0	0	109.5	N257	N257-T259 PolarHBondContact O-N 3.25Å; N257-T259 VanDerWaalsContact O-N 3.12Å
260	V	25.8	Very low	32.9	Very low	115 Å²	115	119.6 Å²	119.6	70%	0.697	70%	0.697	S	S	*	*			trans	-62.1	131.7	159.3	-178	0	0	0	0	106.4	K258 N262	K258-V260 PolarHBondContact O-N 2.83Å; K258-V260 VanDerWaalsContact O-N 3.15Å; V260-N262 PolarHBondContact O-N 3.37Å
261	P	30.4	Very low	33.2	Very low	99 Å²	99	121.5 Å²	121.5	64%	0.643	70%	0.701	S	S	*	*			trans	-61.6	124.6	-177.3	23.4	-30.1	0	0	0	109.1	F263	P261-F263 PolarHBondContact O-N 3.16Å
262	N	34.6	Very low	33.8	Very low	154 Å²	154	120.6 Å²	120.6	82%	0.824	69%	0.692	S	S	*	*			trans	-55.6	109	173.8	-99.5	-7.8	0	0	0	108.3	V260 R264	V260-N262 PolarHBondContact O-N 3.37Å; N262-R264 PolarHBondContact O-N 3.16Å; N262-R264 VanDerWaalsContact O-N 3.15Å
263	F	39.1	Very low	34.3	Very low	160 Å²	160	114.1 Å²	114.1	70%	0.702	68%	0.676	S	S	*	*			trans	-64.3	115.2	175.1	-90.1	-91.3	0	0	0	108.8	P261 L452	P261-F263 PolarHBondContact O-N 3.16Å; F263-L452 HydrophobicContact CE1-CD1 3.99Å; F263-L452 HydrophobicContact CE1-CD2 4.17Å; F263-L452 HydrophobicContact CE1-CG 4.2Å
264	R	51.5	Low	34.6	Very low	87 Å²	87	113.2 Å²	113.2	33%	0.328	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-84.4	130.9	176.8	-73.3	169.8	164.7	-179.8	-1.3	108.8	N262 E387 W390 A456	N262-R264 PolarHBondContact O-N 3.16Å; N262-R264 VanDerWaalsContact O-N 3.15Å; R264-E387 IonicContact CZ-OE1 2.69Å; R264-E387 IonicContact CZ-OE2 2.78Å; R264-E387 VanDerWaalsContact CZ-OE2 3.31Å; R264-E387 IonicContact NH1-OE1 2.76Å; R264-E387 IonicContact NH1-OE2 3.93Å; R264-E387 PolarHBondContact NH1-OE2 3.38Å; R264-E387 IonicContact NH2-OE1 3.87Å; R264-E387 PolarHBondContact NH2-OE1 2.75Å; R264-E387 IonicContact NH2-OE2 2.76Å; R264-E387 PolarHBondContact NH2-OE2 3.35Å; R264-W390 HydrophobicContact CB-CH2 3.58Å; R264-W390 HydrophobicContact CB-CZ2 3.73Å; R264-W390 HydrophobicContact CB-CZ3 4.04Å; R264-W390 VanDerWaalsContact CD-CE2 3.46Å; R264-W390 HydrophobicContact CG-CH2 4.23Å; R264-W390 HydrophobicContact CG-CZ2 3.86Å; R264-A456 WeakPolarHBondContact O-CA 3.34Å; R264-A456 WeakPolarHBondContact O-CB 3.49Å
265	G	44.1	Very low	34.8	Very low	50 Å²	50	116.2 Å²	116.2	52%	0.515	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-88.6	159.1	-173.3	0	0	0	0	0	114.8	A456	G265-A456 WeakPolarHBondContact O-CB 3.47Å
266	P	52.2	Low	34.9	Very low	73 Å²	73	115.7 Å²	115.7	47%	0.474	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-66.3	158.4	-176.7	-17.2	29.9	0	0	0	113.8	H268	P266-H268 PolarHBondContact O-N 3.17Å
267	L	55.1	Low	35.1	Very low	46 Å²	46	115.1 Å²	115.1	24%	0.241	67%	0.666	C	S	.	*	P	Polyproline II helix	trans	-71.4	116	174.7	-68.8	173.8	0	0	0	110.7	Y393	L267-Y393 HydrophobicContact CD1-CD2 4.13Å; L267-Y393 HydrophobicContact CD1-CE1 4.01Å; L267-Y393 HydrophobicContact CD1-CE2 3.52Å; L267-Y393 VanDerWaalsContact CD1-CZ 3.46Å; L267-Y393 HydrophobicContact CG-CE1 4Å; L267-Y393 HydrophobicContact CG-CE2 4.26Å; L267-Y393 WeakPolarHBondContact CG-OH 3.39Å
268	H	44.1	Very low	35.3	Very low	121 Å²	121	113.5 Å²	113.5	56%	0.56	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-98.3	135.3	167.6	-80.1	-66	0	0	0	110.7	P266 G270 D271	P266-H268 PolarHBondContact O-N 3.17Å; H268-G270 PolarHBondContact O-N 3.45Å; H268-D271 HydrophobicContact CB-CB 4.44Å
269	P	37.7	Very low	35.3	Very low	131 Å²	131	112 Å²	112	85%	0.851	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	101.7	172.9	17.3	-13.6	0	0	0	109.4
270	G	39	Very low	35.2	Very low	73 Å²	73	111 Å²	111	75%	0.753	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.6	1.5	166.7	0	0	0	0	0	117.4	H268	H268-G270 PolarHBondContact O-N 3.45Å
271	D	28.5	Very low	35.4	Very low	125 Å²	125	111.9 Å²	111.9	67%	0.668	67%	0.667	S	S	*	*			trans	-93.3	124	174	-78.4	-39.2	0	0	0	111.3	H268 A273	H268-D271 HydrophobicContact CB-CB 4.44Å; D271-A273 PolarHBondContact O-N 2.9Å
272	P	34.2	Very low	35.3	Very low	92 Å²	92	111.5 Å²	111.5	60%	0.597	67%	0.667	S	S	*	*			trans	-63.6	129.6	171.8	26.2	-29.1	0	0	0	108.8	D274	P272-D274 PolarHBondContact O-N 3.49Å
273	A	34.1	Very low	34.9	Very low	65 Å²	65	109.5 Å²	109.5	54%	0.537	67%	0.672	S	S	.	*			trans	-45.9	124.3	-176.8	0	0	0	0	0	112.3	D271 E275	D271-A273 PolarHBondContact O-N 2.9Å; A273-E275 PolarHBondContact O-N 2.73Å; A273-E275 VanDerWaalsContact O-N 3.1Å
274	D	27.3	Very low	34.4	Very low	171 Å²	171	107.1 Å²	107.1	91%	0.914	67%	0.67	S	S	*	*			trans	-62	102.7	174.3	-136	-6.6	0	0	0	108.9	P272	P272-D274 PolarHBondContact O-N 3.49Å
275	E	30.7	Very low	33.5	Very low	131 Å²	131	107.2 Å²	107.2	61%	0.612	68%	0.684	S	S	*	*			trans	-114.7	103	170.9	-84.2	-173.5	-178.6	0	0	109.5	A273 T277	A273-E275 PolarHBondContact O-N 2.73Å; A273-E275 VanDerWaalsContact O-N 3.1Å; E275-T277 PolarHBondContact O-N 3.2Å
276	S	25.6	Very low	33.1	Very low	122 Å²	122	108.8 Å²	108.8	85%	0.853	69%	0.688	S	S	*	*			trans	-62.7	95.5	166.4	57.2	0	0	0	0	109.9
277	T	27.1	Very low	32.9	Very low	108 Å²	108	107.6 Å²	107.6	66%	0.663	68%	0.677	S	S	*	*			trans	-106.5	136.4	165.4	42.3	0	0	0	0	109.5	E275	E275-T277 PolarHBondContact O-N 3.2Å
278	P	30.4	Very low	32	Very low	120 Å²	120	110.1 Å²	110.1	78%	0.779	69%	0.694	S	S	*	*			trans	-73.7	135.5	-171.7	24.2	-24.3	0	0	0	111.7	T280	P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.16Å
279	N	24.1	Very low	32	Very low	170 Å²	170	109 Å²	109	91%	0.909	70%	0.701	S	S	*	*			trans	-47.7	108.5	-177.2	-70.8	-39.9	0	0	0	113.9
280	T	23.9	Very low	31.7	Very low	119 Å²	119	109 Å²	109	73%	0.73	69%	0.693	S	S	*	*			trans	-119.5	122.3	154.2	-26.3	0	0	0	0	107.5	P278 S282	P278-T280 PolarHBondContact O-N 2.64Å; P278-T280 VanDerWaalsContact O-N 3.16Å; T280-S282 PolarHBondContact O-N 3.28Å
281	P	30.9	Very low	31.6	Very low	132 Å²	132	110.5 Å²	110.5	86%	0.857	69%	0.688	S	S	*	*			trans	-77.6	92.8	-166.6	31.2	-32.9	0	0	0	110
282	S	26.7	Very low	32.5	Very low	92 Å²	92	115.7 Å²	115.7	64%	0.643	70%	0.698	S	S	*	*			trans	-96.9	101.7	170.6	-60.3	0	0	0	0	108.3	T280 T284	T280-S282 PolarHBondContact O-N 3.28Å; S282-T284 PolarHBondContact O-N 3.48Å; S282-T284 PolarHBondContact O-OG1 3.39Å
283	A	26.5	Very low	33.7	Very low	111 Å²	111	113.3 Å²	113.3	92%	0.917	68%	0.682	S	S	*	*			trans	-61.8	84.6	171.8	0	0	0	0	0	109.9
284	T	29.5	Very low	35.8	Very low	110 Å²	110	112.5 Å²	112.5	68%	0.675	67%	0.669	S	S	*	*			trans	-110.3	98.8	169.8	35.2	0	0	0	0	106.5	S282 S286	S282-T284 PolarHBondContact O-N 3.48Å; S282-T284 PolarHBondContact O-OG1 3.39Å; T284-S286 PolarHBondContact O-N 3.17Å
285	S	32	Very low	38.6	Very low	89 Å²	89	105.4 Å²	105.4	62%	0.622	63%	0.631	S	S	*	*			trans	-62	102.7	168.1	52.3	0	0	0	0	107.8	R187	R187-S285 PolarHBondContact NH2-O 3.32Å; R187-S285 PolarHBondContact NH2-OG 2.78Å
286	S	36.7	Very low	41.4	Very low	83 Å²	83	101 Å²	101	58%	0.58	62%	0.615	S	S	*	*			trans	-59.6	141.8	166.7	51.6	0	0	0	0	108	T284 T288	T284-S286 PolarHBondContact O-N 3.17Å; S286-T288 VanDerWaalsContact C-N 3.29Å; S286-T288 WeakPolarHBondContact O-CG2 3.5Å; S286-T288 PolarHBondContact O-N 2.94Å
287	L	46.4	Very low	44.4	Very low	49 Å²	49	95.5 Å²	95.5	26%	0.257	58%	0.576	S	S	.	*			trans	-63.6	96.1	172.7	-71.7	159.3	0	0	0	107.2	E191	E191-L287 HydrophobicContact CG-CD1 4.29Å; E191-L287 HydrophobicContact CG-CD2 3.75Å
288	T	37.8	Very low	47.6	Very low	98 Å²	98	90.3 Å²	90.3	60%	0.601	54%	0.544	S	S	*	.			trans	-67	149.4	-167.1	49.4	0	0	0	0	112.2	S286 D290	S286-T288 VanDerWaalsContact C-N 3.29Å; S286-T288 WeakPolarHBondContact O-CG2 3.5Å; S286-T288 PolarHBondContact O-N 2.94Å; T288-D290 PolarHBondContact O-N 3.29Å
289	S	43.1	Very low	50.6	Low	99 Å²	99	87.8 Å²	87.8	69%	0.692	52%	0.522	S	S	*	.	S	Bend	trans	-68.6	-3.2	177.5	55.5	0	0	0	0	114.9	T291	S289-T291 PolarHBondContact O-N 3.38Å
290	D	30.5	Very low	53.8	Low	129 Å²	129	85 Å²	85	69%	0.69	50%	0.503	S	S	*	.			trans	-93.9	77	-169.8	-77.6	-15.6	0	0	0	111.4	T288	T288-D290 PolarHBondContact O-N 3.29Å
291	T	38.5	Very low	57.1	Low	106 Å²	106	81.7 Å²	81.7	65%	0.65	48%	0.478	S	S	*	.	S	Bend	trans	175.8	142.5	142	23.1	0	0	0	0	105.2	S289 T293	S289-T291 PolarHBondContact O-N 3.38Å; T291-T293 PolarHBondContact O-N 2.99Å; T291-T293 PolarHBondContact O-OG1 2.78Å
292	R	45.8	Very low	60.2	Low	233 Å²	233	75.4 Å²	75.4	88%	0.879	44%	0.437	S	S	*	.			trans	-65.2	50.6	-178.6	-162.5	174.1	174	175	-2.7	111.3	Q202 N294	Q202-R292 PolarHBondContact NE2-O 2.76Å; Q202-R292 PolarHBondContact OE1-O 3.28Å; R292-N294 PolarHBondContact O-N 3.5Å
293	T	60.1	Low	63.5	Low	43 Å²	43	71.3 Å²	71.3	26%	0.264	41%	0.407	S	S	.	.			trans	-69.7	122.2	-171.9	41.3	0	0	0	0	108.9	T291 L295	T291-T293 PolarHBondContact O-N 2.99Å; T291-T293 PolarHBondContact O-OG1 2.78Å; T293-L295 PolarHBondContact O-N 3.29Å; T293-L295 VanDerWaalsContact O-N 3.14Å
294	N	78.7	Confident	66.8	Low	47 Å²	47	74.1 Å²	74.1	25%	0.251	39%	0.394	S	S	.	.			trans	-66.8	112.9	171.3	173.1	-13.3	0	0	0	107.9	G197 T199 R292 S296	G197-N294 CarbonylContact C-O 3.36Å; G197-N294 WeakPolarHBondContact CA-O 3.35Å; G197-N294 VanDerWaalsContact O-CB 3.22Å; G197-N294 WeakPolarHBondContact O-CB 3.2Å; G197-N294 VanDerWaalsContact O-CG 3.25Å; T199-N294 PolarHBondContact OG1-ND2 3.03Å; R292-N294 PolarHBondContact O-N 3.5Å; N294-S296 VanDerWaalsContact C-N 3.32Å; N294-S296 WeakPolarHBondContact OD1-CB 3.22Å; N294-S296 PolarHBondContact OD1-N 3.35Å; N294-S296 PolarHBondContact OD1-OG 3.5Å
295	L	86.7	Confident	70	Confident	22 Å²	22	71 Å²	71	12%	0.115	38%	0.376	C	S	.	.			trans	-89.3	9.7	-178.1	-61.9	174.7	0	0	0	113.3	V194 T293 V297 Y298 Q299 H350	V194-L295 HydrophobicContact CG1-CD2 3.83Å; T293-L295 PolarHBondContact O-N 3.29Å; T293-L295 VanDerWaalsContact O-N 3.14Å; L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 3.48Å; L295-Y298 WeakPolarHBondContact O-CB 3.45Å; L295-Y298 PolarHBondContact O-N 2.66Å; L295-Y298 VanDerWaalsContact O-N 3.11Å; L295-Q299 HydrophobicContact CB-CG 3.98Å; L295-Q299 WeakPolarHBondContact O-CB 3.27Å; L295-Q299 VanDerWaalsContact O-CG 3.25Å; L295-Q299 WeakPolarHBondContact O-CG 3.38Å; L295-Q299 PolarHBondContact O-N 2.9Å; L295-H350 VanDerWaalsContact CD1-CE1 3.48Å; L295-H350 WeakPolarHBondContact CD1-CE1 3.48Å
296	S	88	Confident	73.1	Confident	40 Å²	40	66.8 Å²	66.8	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-52.2	-44.8	-172.3	52.2	0	0	0	0	113.6	N294 Q299 E300	N294-S296 VanDerWaalsContact C-N 3.32Å; N294-S296 WeakPolarHBondContact OD1-CB 3.22Å; N294-S296 PolarHBondContact OD1-N 3.35Å; N294-S296 PolarHBondContact OD1-OG 3.5Å; S296-Q299 PolarHBondContact O-N 3.11Å; S296-E300 WeakPolarHBondContact O-CB 3.29Å; S296-E300 PolarHBondContact O-N 3.24Å
297	V	90.1	Very high	76	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.03	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-47.4	179.7	177.2	0	0	0	0	111	R153 L157 L193 L196 L295 Q299 Y301	R153-V297 HydrophobicContact CG-CG2 4.45Å; L157-V297 HydrophobicContact CD2-CG1 3.72Å; L193-V297 HydrophobicContact CD2-CG1 4.44Å; L196-V297 HydrophobicContact CB-CG1 4.09Å; L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 3.48Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 3.24Å; V297-Y301 HydrophobicContact CG1-CD2 3.85Å; V297-Y301 HydrophobicContact CG1-CE2 4.33Å; V297-Y301 WeakPolarHBondContact O-CB 3.31Å; V297-Y301 WeakPolarHBondContact O-CD2 3.5Å; V297-Y301 PolarHBondContact O-N 3.41Å
298	Y	93.4	Very high	78.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.339	C	S	.	.	I	π-helix	trans	-58.6	-46	174.4	174.4	-102.3	0	0	0	111.8	I190 L193 V194 L295 F302 E303 H350 T353	I190-Y298 HydrophobicContact CD1-CE2 4.41Å; I190-Y298 HydrophobicContact CG2-CD2 4.11Å; I190-Y298 HydrophobicContact CG2-CE2 3.58Å; L193-Y298 HydrophobicContact CB-CD2 4.22Å; L193-Y298 PolarHBondContact O-N 2.91Å; V194-Y298 HydrophobicContact CG2-CD2 3.81Å; V194-Y298 HydrophobicContact CG2-CE2 4.42Å; V194-Y298 HydrophobicContact CG2-CG 3.93Å; L295-Y298 WeakPolarHBondContact O-CB 3.45Å; L295-Y298 PolarHBondContact O-N 2.66Å; L295-Y298 VanDerWaalsContact O-N 3.11Å; Y298-F302 HydrophobicContact CD2-CB 4.48Å; Y298-F302 AromaticContact CD2-CD1 3.95Å; Y298-F302 HydrophobicContact CD2-CD1 3.95Å; Y298-F302 AromaticContact CE2-CD1 3.27Å; Y298-F302 HydrophobicContact CE2-CD1 3.27Å; Y298-F302 AromaticContact CE2-CE1 3.79Å; Y298-F302 HydrophobicContact CE2-CE1 3.79Å; Y298-F302 HydrophobicContact CE2-CG 4.24Å; Y298-F302 AromaticContact CZ-CD1 3.69Å; Y298-F302 AromaticContact CZ-CE1 3.97Å; Y298-F302 CarbonylContact O-C 3.57Å; Y298-F302 WeakPolarHBondContact O-CA 3.34Å; Y298-F302 WeakPolarHBondContact O-CB 3.49Å; Y298-F302 PolarHBondContact O-N 3.22Å; Y298-E303 HydrophobicContact CD1-CB 4.21Å; Y298-E303 HydrophobicContact CE1-CB 3.88Å; Y298-E303 HydrophobicContact CE1-CG 4.05Å; Y298-E303 PolarHBondContact O-N 3.29Å; Y298-H350 HydrophobicContact CD1-CB 4.31Å; Y298-H350 HydrophobicContact CE1-CB 3.79Å; Y298-H350 HydrophobicContact CE2-CB 4.38Å; Y298-H350 PolarHBondContact OH-N 3.09Å; Y298-T353 VanDerWaalsContact CE1-OG1 3.27Å; Y298-T353 WeakPolarHBondContact CE1-OG1 3.27Å; Y298-T353 PolarHBondContact OH-OG1 3.49Å
299	Q	93.1	Very high	81.2	Confident	66 Å²	66	63.5 Å²	63.5	31%	0.308	32%	0.321	S	S	.	.	I	π-helix	trans	-68.2	-44	-176.6	-69.1	177.1	-14.7	0	0	112.7	L295 S296 V297 E303 R304	L295-Q299 HydrophobicContact CB-CG 3.98Å; L295-Q299 WeakPolarHBondContact O-CB 3.27Å; L295-Q299 VanDerWaalsContact O-CG 3.25Å; L295-Q299 WeakPolarHBondContact O-CG 3.38Å; L295-Q299 PolarHBondContact O-N 2.9Å; S296-Q299 PolarHBondContact O-N 3.11Å; V297-Q299 VanDerWaalsContact C-N 3.34Å; V297-Q299 PolarHBondContact O-N 3.24Å; Q299-E303 WeakPolarHBondContact CG-OE2 3.38Å; Q299-R304 WeakPolarHBondContact O-CB 3.45Å; Q299-R304 WeakPolarHBondContact O-CG 3.28Å; Q299-R304 PolarHBondContact O-N 3.44Å; Q299-R304 VanDerWaalsContact O-N 3.07Å
300	E	91.2	Very high	83.8	Confident	111 Å²	111	58.8 Å²	58.8	52%	0.519	29%	0.288	S	S	.	.	I	π-helix	trans	-73.6	-51.2	-176.4	-176.1	-177.3	175.6	0	0	111.9	S296	S296-E300 WeakPolarHBondContact O-CB 3.29Å; S296-E300 PolarHBondContact O-N 3.24Å
301	Y	93.1	Very high	87	Confident	50 Å²	50	55.3 Å²	55.3	20%	0.196	27%	0.267	C	S	.	.	I	π-helix	trans	-82.6	-34.1	-173.4	-72.6	-81	0	0	0	112.7	A161 I165 V297 P305	A161-Y301 HydrophobicContact CB-CD1 3.45Å; A161-Y301 VanDerWaalsContact CB-CD1 3.45Å; A161-Y301 HydrophobicContact CB-CE1 3.51Å; I165-Y301 WeakPolarHBondContact CD1-O 3.33Å; I165-Y301 VanDerWaalsContact CG1-O 3.24Å; I165-Y301 WeakPolarHBondContact CG1-O 3.36Å; I165-Y301 WeakPolarHBondContact CG2-O 3.48Å; V297-Y301 HydrophobicContact CG1-CD2 3.85Å; V297-Y301 HydrophobicContact CG1-CE2 4.33Å; V297-Y301 WeakPolarHBondContact O-CB 3.31Å; V297-Y301 WeakPolarHBondContact O-CD2 3.5Å; V297-Y301 PolarHBondContact O-N 3.41Å; Y301-P305 WeakPolarHBondContact O-CG 3.34Å
302	F	96.2	Very high	89.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-116.7	-59.9	-172.7	173.8	-94.9	0	0	0	113.9	I165 I168 L169 I172 I190 L193 Y298 R304 P305 F306 L349	I165-F302 HydrophobicContact CD1-CB 3.86Å; I165-F302 HydrophobicContact CD1-CD2 4.28Å; I168-F302 HydrophobicContact CG2-CD2 4.1Å; I168-F302 HydrophobicContact CG2-CE2 3.54Å; L169-F302 HydrophobicContact CD2-CE2 4.35Å; I172-F302 HydrophobicContact CD1-CE2 4.09Å; I172-F302 HydrophobicContact CD1-CZ 4.06Å; I190-F302 HydrophobicContact CD1-CD1 3.85Å; I190-F302 HydrophobicContact CD1-CD2 3.77Å; I190-F302 HydrophobicContact CD1-CE1 3.85Å; I190-F302 HydrophobicContact CD1-CE2 3.77Å; I190-F302 HydrophobicContact CD1-CG 3.8Å; I190-F302 HydrophobicContact CD1-CZ 3.8Å; L193-F302 HydrophobicContact CD1-CB 3.57Å; L193-F302 HydrophobicContact CD1-CG 4.18Å; Y298-F302 HydrophobicContact CD2-CB 4.48Å; Y298-F302 AromaticContact CD2-CD1 3.95Å; Y298-F302 HydrophobicContact CD2-CD1 3.95Å; Y298-F302 AromaticContact CE2-CD1 3.27Å; Y298-F302 HydrophobicContact CE2-CD1 3.27Å; Y298-F302 AromaticContact CE2-CE1 3.79Å; Y298-F302 HydrophobicContact CE2-CE1 3.79Å; Y298-F302 HydrophobicContact CE2-CG 4.24Å; Y298-F302 AromaticContact CZ-CD1 3.69Å; Y298-F302 AromaticContact CZ-CE1 3.97Å; Y298-F302 CarbonylContact O-C 3.57Å; Y298-F302 WeakPolarHBondContact O-CA 3.34Å; Y298-F302 WeakPolarHBondContact O-CB 3.49Å; Y298-F302 PolarHBondContact O-N 3.22Å; F302-R304 VanDerWaalsContact C-N 3.33Å; F302-R304 PolarHBondContact O-N 3.1Å; F302-P305 VanDerWaalsContact O-CD 3.3Å; F302-P305 WeakPolarHBondContact O-CD 3.22Å; F302-F306 HydrophobicContact CD1-CB 4.41Å; F302-F306 HydrophobicContact CD2-CB 4.41Å; F302-F306 HydrophobicContact CE1-CB 3.95Å; F302-F306 HydrophobicContact CE1-CD1 4.21Å; F302-F306 HydrophobicContact CE1-CG 4.01Å; F302-F306 HydrophobicContact CE2-CB 3.94Å; F302-F306 HydrophobicContact CE2-CD2 4.46Å; F302-F306 HydrophobicContact CE2-CG 4.31Å; F302-F306 HydrophobicContact CZ-CB 3.71Å; F302-F306 HydrophobicContact CZ-CD1 4.27Å; F302-F306 AromaticContact CZ-CD2 3.94Å; F302-F306 HydrophobicContact CZ-CD2 3.94Å; F302-F306 AromaticContact CZ-CG 3.68Å; F302-F306 HydrophobicContact CZ-CG 3.68Å; F302-F306 WeakPolarHBondContact O-CB 3.11Å; F302-F306 PolarHBondContact O-N 3.15Å; F302-L349 HydrophobicContact CE1-CD2 3.65Å; F302-L349 HydrophobicContact CZ-CD2 3.61Å
303	E	96.2	Very high	92.2	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.028	22%	0.219	C	C	.	.	I	π-helix	trans	-57.1	-46	-168.7	-165.4	-167.4	-133.7	0	0	111.5	Y298 Q299 F306 L307 T353 K356	Y298-E303 HydrophobicContact CD1-CB 4.21Å; Y298-E303 HydrophobicContact CE1-CB 3.88Å; Y298-E303 HydrophobicContact CE1-CG 4.05Å; Y298-E303 PolarHBondContact O-N 3.29Å; Q299-E303 WeakPolarHBondContact CG-OE2 3.38Å; E303-F306 PolarHBondContact O-N 3.08Å; E303-L307 HydrophobicContact CG-CD1 4.14Å; E303-L307 WeakPolarHBondContact O-CB 3.35Å; E303-L307 VanDerWaalsContact O-CG 3.24Å; E303-L307 WeakPolarHBondContact O-CG 3.29Å; E303-L307 PolarHBondContact O-N 3.48Å; E303-T353 HydrophobicContact CG-CG2 4.12Å; E303-T353 PolarHBondContact OE1-OG1 3.46Å; E303-K356 WeakPolarHBondContact OE1-CD 3.25Å; E303-K356 IonicContact OE1-NZ 2.85Å; E303-K356 PolarHBondContact OE1-NZ 3.25Å; E303-K356 IonicContact OE2-NZ 3.91Å; E303-K356 PolarHBondContact OE2-NZ 2.81Å
304	R	96.3	Very high	94	Very high	170 Å²	170	43.6 Å²	43.6	64%	0.642	21%	0.207	S	C	*	.	H	α-helix	trans	-61.9	-57.5	178.3	-79.1	176.4	-177.3	178.2	1.4	112.5	Q299 F302 F306 L307 T308	Q299-R304 WeakPolarHBondContact O-CB 3.45Å; Q299-R304 WeakPolarHBondContact O-CG 3.28Å; Q299-R304 PolarHBondContact O-N 3.44Å; Q299-R304 VanDerWaalsContact O-N 3.07Å; F302-R304 VanDerWaalsContact C-N 3.33Å; F302-R304 PolarHBondContact O-N 3.1Å; R304-F306 VanDerWaalsContact C-N 3.27Å; R304-F306 PolarHBondContact O-N 2.87Å; R304-L307 PolarHBondContact O-N 3.42Å; R304-T308 PolarHBondContact O-N 3.17Å; R304-T308 PolarHBondContact O-OG1 3.19Å
305	P	96.6	Very high	94.8	Very high	45 Å²	45	46.5 Å²	46.5	29%	0.292	21%	0.214	S	C	.	.	H	α-helix	trans	-56.3	-38.7	174.5	-29.1	36.2	0	0	0	114.1	I165 L169 Y301 F302 T308 E309	I165-P305 HydrophobicContact CG2-CB 4.2Å; L169-P305 HydrophobicContact CD1-CB 4.09Å; Y301-P305 WeakPolarHBondContact O-CG 3.34Å; F302-P305 VanDerWaalsContact O-CD 3.3Å; F302-P305 WeakPolarHBondContact O-CD 3.22Å; P305-T308 PolarHBondContact O-N 3.25Å; P305-E309 WeakPolarHBondContact O-CB 3.18Å; P305-E309 PolarHBondContact O-N 3.34Å
306	F	97.4	Very high	95.2	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-46.3	177.4	166.1	-107.1	0	0	0	112.3	L169 I172 F302 E303 R304 E309 T310 L349 T353 L357	L169-F306 HydrophobicContact CD2-CB 3.87Å; L169-F306 HydrophobicContact CD2-CD2 4.12Å; I172-F306 HydrophobicContact CD1-CD2 3.92Å; I172-F306 HydrophobicContact CD1-CE2 4.03Å; I172-F306 HydrophobicContact CG2-CE2 4.1Å; F302-F306 HydrophobicContact CD1-CB 4.41Å; F302-F306 HydrophobicContact CD2-CB 4.41Å; F302-F306 HydrophobicContact CE1-CB 3.95Å; F302-F306 HydrophobicContact CE1-CD1 4.21Å; F302-F306 HydrophobicContact CE1-CG 4.01Å; F302-F306 HydrophobicContact CE2-CB 3.94Å; F302-F306 HydrophobicContact CE2-CD2 4.46Å; F302-F306 HydrophobicContact CE2-CG 4.31Å; F302-F306 HydrophobicContact CZ-CB 3.71Å; F302-F306 HydrophobicContact CZ-CD1 4.27Å; F302-F306 AromaticContact CZ-CD2 3.94Å; F302-F306 HydrophobicContact CZ-CD2 3.94Å; F302-F306 AromaticContact CZ-CG 3.68Å; F302-F306 HydrophobicContact CZ-CG 3.68Å; F302-F306 WeakPolarHBondContact O-CB 3.11Å; F302-F306 PolarHBondContact O-N 3.15Å; E303-F306 PolarHBondContact O-N 3.08Å; R304-F306 VanDerWaalsContact C-N 3.27Å; R304-F306 PolarHBondContact O-N 2.87Å; F306-E309 PolarHBondContact O-N 3.1Å; F306-T310 WeakPolarHBondContact O-CB 3.37Å; F306-T310 PolarHBondContact O-N 3.49Å; F306-T310 PolarHBondContact O-OG1 2.8Å; F306-L349 HydrophobicContact CE1-CD1 3.81Å; F306-L349 HydrophobicContact CE2-CD1 4.49Å; F306-L349 HydrophobicContact CZ-CD1 3.76Å; F306-T353 HydrophobicContact CD1-CG2 4.13Å; F306-T353 HydrophobicContact CE1-CG2 3.88Å; F306-L357 HydrophobicContact CE1-CD1 3.78Å; F306-L357 HydrophobicContact CE1-CD2 4.06Å; F306-L357 HydrophobicContact CE1-CG 4.4Å; F306-L357 HydrophobicContact CZ-CD1 3.84Å; F306-L357 HydrophobicContact CZ-CD2 4.06Å
307	L	97.8	Very high	95.6	Very high	22 Å²	22	49.4 Å²	49.4	12%	0.115	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-51.7	175.1	-69.8	171.6	0	0	0	109.8	E303 R304 E309 T310 E311 K356 L357	E303-L307 HydrophobicContact CG-CD1 4.14Å; E303-L307 WeakPolarHBondContact O-CB 3.35Å; E303-L307 VanDerWaalsContact O-CG 3.24Å; E303-L307 WeakPolarHBondContact O-CG 3.29Å; E303-L307 PolarHBondContact O-N 3.48Å; R304-L307 PolarHBondContact O-N 3.42Å; L307-E309 VanDerWaalsContact C-N 3.29Å; L307-E309 PolarHBondContact O-N 3.19Å; L307-T310 CarbonylContact O-C 3.31Å; L307-T310 WeakPolarHBondContact O-CA 3.28Å; L307-T310 VanDerWaalsContact O-CB 3.32Å; L307-T310 WeakPolarHBondContact O-CB 3.17Å; L307-T310 PolarHBondContact O-N 2.98Å; L307-E311 VanDerWaalsContact O-CG 3.27Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 3.15Å; L307-K356 HydrophobicContact CD1-CB 3.86Å; L307-K356 HydrophobicContact CD1-CD 4.18Å; L307-K356 HydrophobicContact CD2-CB 4.29Å; L307-L357 HydrophobicContact CD2-CB 4.06Å; L307-L357 HydrophobicContact CD2-CD1 4.19Å
308	T	97.3	Very high	95.9	Very high	91 Å²	91	49.2 Å²	49.2	56%	0.558	22%	0.224	S	C	*	.	H	α-helix	trans	-55	-41.8	178.5	-56.8	0	0	0	0	113.3	R304 P305 E311 R312	R304-T308 PolarHBondContact O-N 3.17Å; R304-T308 PolarHBondContact O-OG1 3.19Å; P305-T308 PolarHBondContact O-N 3.25Å; T308-E311 PolarHBondContact O-N 2.86Å; T308-R312 PolarHBondContact O-N 2.87Å; T308-R312 VanDerWaalsContact O-N 3.09Å
309	E	96	Very high	96	Very high	47 Å²	47	51.5 Å²	51.5	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-35.8	177.6	-168	56.1	-142	0	0	112	L169 P305 F306 L307 R312 Y313	L169-E309 HydrophobicContact CD1-CB 4.34Å; P305-E309 WeakPolarHBondContact O-CB 3.18Å; P305-E309 PolarHBondContact O-N 3.34Å; F306-E309 PolarHBondContact O-N 3.1Å; L307-E309 VanDerWaalsContact C-N 3.29Å; L307-E309 PolarHBondContact O-N 3.19Å; E309-R312 PolarHBondContact O-N 2.96Å; E309-R312 IonicContact OE1-CZ 3.98Å; E309-R312 IonicContact OE1-NE 2.93Å; E309-R312 PolarHBondContact OE1-NE 3.19Å; E309-R312 IonicContact OE1-NH2 3.66Å; E309-R312 PolarHBondContact OE1-NH2 3.07Å; E309-R312 IonicContact OE2-NE 2.81Å; E309-Y313 WeakPolarHBondContact O-CB 3.07Å; E309-Y313 PolarHBondContact O-N 3.12Å
310	T	96.9	Very high	96.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-42.5	174.5	-57.4	0	0	0	0	112.1	R176 F306 L307 R312 Y313 Y314 L357	R176-T310 PolarHBondContact NH1-OG1 3.13Å; R176-T310 PolarHBondContact NH2-OG1 3.34Å; F306-T310 WeakPolarHBondContact O-CB 3.37Å; F306-T310 PolarHBondContact O-N 3.49Å; F306-T310 PolarHBondContact O-OG1 2.8Å; L307-T310 CarbonylContact O-C 3.31Å; L307-T310 WeakPolarHBondContact O-CA 3.28Å; L307-T310 VanDerWaalsContact O-CB 3.32Å; L307-T310 WeakPolarHBondContact O-CB 3.17Å; L307-T310 PolarHBondContact O-N 2.98Å; T310-R312 VanDerWaalsContact C-N 3.34Å; T310-R312 PolarHBondContact O-N 3.09Å; T310-Y313 PolarHBondContact O-N 2.86Å; T310-Y314 HydrophobicContact CG2-CD2 3.5Å; T310-Y314 HydrophobicContact CG2-CE2 3.59Å; T310-Y314 PolarHBondContact O-N 3.31Å; T310-L357 HydrophobicContact CG2-CD1 3.7Å
311	E	97.4	Very high	96.3	Very high	56 Å²	56	51 Å²	51	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-48.2	173.4	-65.9	-174.8	-156.3	0	0	111.1	L307 T308 Y313 R315 S360 Y364	L307-E311 VanDerWaalsContact O-CG 3.27Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 3.15Å; T308-E311 PolarHBondContact O-N 2.86Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 2.95Å; E311-R315 WeakPolarHBondContact O-CB 3.38Å; E311-R315 PolarHBondContact O-N 3.37Å; E311-S360 WeakPolarHBondContact CG-OG 3.45Å; E311-Y364 HydrophobicContact CB-CD2 3.92Å; E311-Y364 HydrophobicContact CB-CE2 3.45Å; E311-Y364 VanDerWaalsContact CB-CE2 3.45Å; E311-Y364 HydrophobicContact CG-CD2 3.89Å; E311-Y364 HydrophobicContact CG-CE2 3.28Å; E311-Y364 WeakPolarHBondContact OE2-CE2 3.12Å; E311-Y364 PolarHBondContact OE2-OH 2.87Å
312	R	96.8	Very high	96.3	Very high	115 Å²	115	49.4 Å²	49.4	43%	0.434	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-45.4	177	-169.3	-168.3	73.5	77.8	-1.5	111.6	T308 E309 T310 L316	T308-R312 PolarHBondContact O-N 2.87Å; T308-R312 VanDerWaalsContact O-N 3.09Å; E309-R312 PolarHBondContact O-N 2.96Å; E309-R312 IonicContact OE1-CZ 3.98Å; E309-R312 IonicContact OE1-NE 2.93Å; E309-R312 PolarHBondContact OE1-NE 3.19Å; E309-R312 IonicContact OE1-NH2 3.66Å; E309-R312 PolarHBondContact OE1-NH2 3.07Å; E309-R312 IonicContact OE2-NE 2.81Å; T310-R312 VanDerWaalsContact C-N 3.34Å; T310-R312 PolarHBondContact O-N 3.09Å; R312-L316 PolarHBondContact O-N 3.18Å
313	Y	96.7	Very high	96.2	Very high	21 Å²	21	57.8 Å²	57.8	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-54.6	-179.5	-177.2	-88.7	0	0	0	111.6	E173 R176 E309 T310 E311 R315 L316 E317 R337	E173-Y313 HydrophobicContact CG-CD2 4.19Å; E173-Y313 HydrophobicContact CG-CE2 4.18Å; R176-Y313 HydrophobicContact CB-CE1 4.12Å; R176-Y313 HydrophobicContact CB-CE2 4.24Å; R176-Y313 HydrophobicContact CG-CE1 4.48Å; E309-Y313 WeakPolarHBondContact O-CB 3.07Å; E309-Y313 PolarHBondContact O-N 3.12Å; T310-Y313 PolarHBondContact O-N 2.86Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 2.95Å; Y313-R315 PolarHBondContact O-N 3.19Å; Y313-L316 PolarHBondContact O-N 3.31Å; Y313-E317 HydrophobicContact CE1-CB 4.38Å; Y313-E317 PolarHBondContact O-N 2.96Å; Y313-R337 PolarHBondContact OH-NH2 3.33Å
314	Y	97.4	Very high	96.1	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-73.4	-28.2	-175.7	-75	-51.7	0	0	0	113.6	T310 L316 E317 S318 R337 E341 C361 L365	T310-Y314 HydrophobicContact CG2-CD2 3.5Å; T310-Y314 HydrophobicContact CG2-CE2 3.59Å; T310-Y314 PolarHBondContact O-N 3.31Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3.15Å; Y314-E317 WeakPolarHBondContact CD1-OE2 3.31Å; Y314-E317 WeakPolarHBondContact CE1-OE2 3.48Å; Y314-S318 WeakPolarHBondContact O-CB 3.49Å; Y314-S318 PolarHBondContact O-N 3.04Å; Y314-S318 PolarHBondContact O-OG 3.43Å; Y314-R337 HydrophobicContact CE1-CB 4.01Å; Y314-R337 HydrophobicContact CE1-CG 3.91Å; Y314-E341 HydrophobicContact CE2-CG 3.94Å; Y314-E341 WeakPolarHBondContact CE2-OE1 3.45Å; Y314-E341 VanDerWaalsContact OH-CG 3.26Å; Y314-E341 WeakPolarHBondContact OH-CG 3.12Å; Y314-E341 PolarHBondContact OH-OE1 2.8Å; Y314-C361 HydrophobicContact CD2-CB 4.4Å; Y314-C361 HydrophobicContact CE2-CB 4.48Å; Y314-C361 WeakPolarHBondContact CE2-SG 3.35Å; Y314-L365 HydrophobicContact CD1-CD1 4.29Å; Y314-L365 HydrophobicContact CD1-CD2 3.7Å; Y314-L365 HydrophobicContact CD1-CG 4.27Å; Y314-L365 HydrophobicContact CE1-CD2 4.46Å; Y314-L365 HydrophobicContact CG-CD1 4.44Å; Y314-L365 HydrophobicContact CG-CD2 4.07Å; Y314-L365 HydrophobicContact CG-CG 4.25Å
315	R	96.3	Very high	96	Very high	108 Å²	108	56.3 Å²	56.3	41%	0.408	29%	0.285	S	S	.	.	H	α-helix	trans	-61.1	-41.3	169.7	-174.8	-177.3	-79.1	130.8	-19.3	111.5	E311 Y313 S318 A319 Y364 E368	E311-R315 WeakPolarHBondContact O-CB 3.38Å; E311-R315 PolarHBondContact O-N 3.37Å; Y313-R315 PolarHBondContact O-N 3.19Å; R315-S318 PolarHBondContact O-OG 2.88Å; R315-S318 VanDerWaalsContact O-OG 3.1Å; R315-A319 PolarHBondContact O-N 3.01Å; R315-Y364 HydrophobicContact CB-CD1 4.08Å; R315-Y364 HydrophobicContact CB-CG 4.49Å; R315-Y364 HydrophobicContact CG-CD1 4.4Å; R315-Y364 PolarHBondContact NH2-OH 2.85Å; R315-E368 IonicContact CZ-OE1 2.72Å; R315-E368 IonicContact NE-OE1 3.97Å; R315-E368 PolarHBondContact NE-OE1 2.84Å; R315-E368 IonicContact NE-OE2 3.96Å; R315-E368 IonicContact NH2-OE1 3.45Å
316	L	95.7	Very high	96	Very high	89 Å²	89	57.7 Å²	57.7	47%	0.466	29%	0.293	S	S	.	.	H	α-helix	trans	-73.7	-47.9	178.7	-174.2	67	0	0	0	112.1	R312 Y313 Y314 Q320	R312-L316 PolarHBondContact O-N 3.18Å; Y313-L316 PolarHBondContact O-N 3.31Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3.15Å; L316-Q320 WeakPolarHBondContact O-CB 3.39Å; L316-Q320 VanDerWaalsContact O-CG 3.31Å; L316-Q320 WeakPolarHBondContact O-CG 3.38Å; L316-Q320 PolarHBondContact O-N 3.21Å; L316-Q320 VanDerWaalsContact O-N 3.1Å
317	E	95.4	Very high	95.8	Very high	33 Å²	33	58 Å²	58	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-44.7	-179.4	-177.3	178.3	-130.8	0	0	111.3	Y313 Y314 A319 Q320 F321 R337	Y313-E317 HydrophobicContact CE1-CB 4.38Å; Y313-E317 PolarHBondContact O-N 2.96Å; Y314-E317 WeakPolarHBondContact CD1-OE2 3.31Å; Y314-E317 WeakPolarHBondContact CE1-OE2 3.48Å; E317-A319 PolarHBondContact O-N 3.39Å; E317-Q320 PolarHBondContact O-N 3.11Å; E317-F321 WeakPolarHBondContact O-CB 3.32Å; E317-F321 PolarHBondContact O-N 3.22Å; E317-R337 IonicContact OE1-CZ 3.61Å; E317-R337 IonicContact OE1-NE 3.98Å; E317-R337 PolarHBondContact OE1-NE 3.4Å; E317-R337 IonicContact OE1-NH2 3.08Å; E317-R337 PolarHBondContact OE1-NH2 3.4Å; E317-R337 IonicContact OE2-CZ 3.49Å; E317-R337 IonicContact OE2-NE 2.86Å; E317-R337 PolarHBondContact OE2-NE 3.48Å; E317-R337 IonicContact OE2-NH2 3.93Å
318	S	96.3	Very high	95.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-50	-179.9	56	0	0	0	0	111.8	Y314 R315 Q320 F321 L322 Y330 Y364 H369	Y314-S318 WeakPolarHBondContact O-CB 3.49Å; Y314-S318 PolarHBondContact O-N 3.04Å; Y314-S318 PolarHBondContact O-OG 3.43Å; R315-S318 PolarHBondContact O-OG 2.88Å; R315-S318 VanDerWaalsContact O-OG 3.1Å; S318-Q320 PolarHBondContact O-N 3.06Å; S318-F321 PolarHBondContact O-N 3.31Å; S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 PolarHBondContact O-N 3.14Å; S318-Y330 WeakPolarHBondContact CB-OH 3.36Å; S318-Y330 WeakPolarHBondContact O-CE2 3.49Å; S318-Y364 PolarHBondContact OG-O 3.12Å; S318-H369 WeakPolarHBondContact CB-NE2 3.42Å; S318-H369 PolarHBondContact OG-NE2 3.27Å; S318-H369 VanDerWaalsContact OG-NE2 3.08Å
319	A	95.3	Very high	95.6	Very high	48 Å²	48	58.1 Å²	58.1	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-43.8	179.5	0	0	0	0	0	112.1	R315 E317 Q323	R315-A319 PolarHBondContact O-N 3.01Å; E317-A319 PolarHBondContact O-N 3.39Å; A319-Q323 WeakPolarHBondContact O-CB 3.28Å; A319-Q323 PolarHBondContact O-N 3.27Å
320	Q	95.5	Very high	95.7	Very high	111 Å²	111	56.1 Å²	56.1	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-45.2	179.8	-72.6	177.4	-8.5	0	0	112.5	L316 E317 S318 Q323 S324	L316-Q320 WeakPolarHBondContact O-CB 3.39Å; L316-Q320 VanDerWaalsContact O-CG 3.31Å; L316-Q320 WeakPolarHBondContact O-CG 3.38Å; L316-Q320 PolarHBondContact O-N 3.21Å; L316-Q320 VanDerWaalsContact O-N 3.1Å; E317-Q320 PolarHBondContact O-N 3.11Å; S318-Q320 PolarHBondContact O-N 3.06Å; Q320-Q323 PolarHBondContact O-N 2.95Å; Q320-S324 PolarHBondContact O-N 2.87Å; Q320-S324 PolarHBondContact O-OG 3.5Å
321	F	95.2	Very high	95.7	Very high	56 Å²	56	56.2 Å²	56.2	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-42.3	-177.7	-159.6	-84.3	0	0	0	111.1	E317 S318 Q323 S324 N325 Y330 K333	E317-F321 WeakPolarHBondContact O-CB 3.32Å; E317-F321 PolarHBondContact O-N 3.22Å; S318-F321 PolarHBondContact O-N 3.31Å; F321-Q323 VanDerWaalsContact C-N 3.27Å; F321-Q323 PolarHBondContact O-N 3.05Å; F321-S324 PolarHBondContact O-N 2.79Å; F321-S324 PolarHBondContact O-OG 2.79Å; F321-N325 HydrophobicContact CD1-CB 3.9Å; F321-N325 WeakPolarHBondContact CD1-ND2 3.41Å; F321-N325 HydrophobicContact CE1-CB 3.67Å; F321-N325 HydrophobicContact CZ-CB 4.32Å; F321-N325 WeakPolarHBondContact O-CB 3.5Å; F321-N325 PolarHBondContact O-N 2.78Å; F321-N325 PolarHBondContact O-ND2 2.8Å; F321-Y330 HydrophobicContact CB-CD2 4.3Å; F321-Y330 AromaticContact CD1-CD2 3.86Å; F321-Y330 HydrophobicContact CD1-CD2 3.86Å; F321-K333 HydrophobicContact CD1-CB 4.44Å; F321-K333 HydrophobicContact CD2-CG 4.49Å; F321-K333 HydrophobicContact CE1-CB 3.96Å; F321-K333 HydrophobicContact CE1-CG 4.27Å; F321-K333 HydrophobicContact CE2-CG 4.27Å; F321-K333 HydrophobicContact CZ-CB 4.12Å; F321-K333 HydrophobicContact CZ-CG 4.15Å
322	L	94.4	Very high	95.6	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-29.1	178.8	-172.6	59.7	0	0	0	112.8	S318 S324 V327 Y330 H369 R372 L373	S318-L322 WeakPolarHBondContact O-CB 3.34Å; S318-L322 PolarHBondContact O-N 3.14Å; L322-S324 VanDerWaalsContact C-N 3.33Å; L322-V327 HydrophobicContact CD1-CG2 4.2Å; L322-Y330 HydrophobicContact CB-CD2 3.7Å; L322-Y330 HydrophobicContact CB-CE2 3.77Å; L322-Y330 HydrophobicContact CB-CG 4.35Å; L322-Y330 HydrophobicContact CD1-CD1 3.99Å; L322-Y330 HydrophobicContact CD1-CD2 3.95Å; L322-Y330 HydrophobicContact CD1-CE1 4.49Å; L322-Y330 HydrophobicContact CD1-CE2 4.48Å; L322-Y330 HydrophobicContact CD1-CG 3.7Å; L322-Y330 HydrophobicContact CG-CD2 4.37Å; L322-H369 HydrophobicContact CD2-CB 3.82Å; L322-R372 HydrophobicContact CD1-CG 4.45Å; L322-R372 HydrophobicContact CD2-CB 4.38Å; L322-R372 HydrophobicContact CD2-CG 3.94Å; L322-R372 HydrophobicContact CG-CG 4.34Å; L322-L373 HydrophobicContact CD1-CD2 4.29Å
323	Q	93.8	Very high	95.5	Very high	176 Å²	176	55.1 Å²	55.1	82%	0.822	28%	0.281	S	S	*	.	H	α-helix	trans	-70.9	-29.7	175.6	-174	176.1	27	0	0	112.9	A319 Q320 F321	A319-Q323 WeakPolarHBondContact O-CB 3.28Å; A319-Q323 PolarHBondContact O-N 3.27Å; Q320-Q323 PolarHBondContact O-N 2.95Å; F321-Q323 VanDerWaalsContact C-N 3.27Å; F321-Q323 PolarHBondContact O-N 3.05Å
324	S	93.6	Very high	95.5	Very high	88 Å²	88	54.2 Å²	54.2	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-106.5	-11.1	-170.5	48.4	0	0	0	0	114.6	Q320 F321 L322	Q320-S324 PolarHBondContact O-N 2.87Å; Q320-S324 PolarHBondContact O-OG 3.5Å; F321-S324 PolarHBondContact O-N 2.79Å; F321-S324 PolarHBondContact O-OG 2.79Å; L322-S324 VanDerWaalsContact C-N 3.33Å
325	N	94.8	Very high	95.4	Very high	57 Å²	57	56.6 Å²	56.6	31%	0.305	29%	0.289	S	S	.	.	S	Bend	trans	-130.2	165	-174.6	-58.3	-91.6	0	0	0	111.2	F321 E329	F321-N325 HydrophobicContact CD1-CB 3.9Å; F321-N325 WeakPolarHBondContact CD1-ND2 3.41Å; F321-N325 HydrophobicContact CE1-CB 3.67Å; F321-N325 HydrophobicContact CZ-CB 4.32Å; F321-N325 WeakPolarHBondContact O-CB 3.5Å; F321-N325 PolarHBondContact O-N 2.78Å; F321-N325 PolarHBondContact O-ND2 2.8Å; N325-E329 HydrophobicContact CB-CB 4.36Å
326	T	95.1	Very high	95.3	Very high	74 Å²	74	54.8 Å²	54.8	45%	0.454	29%	0.29	S	S	.	.			trans	-72.9	158.4	175.2	66.3	0	0	0	0	111.3	E329 Y330	T326-E329 WeakPolarHBondContact CB-OE2 3.33Å; T326-E329 PolarHBondContact N-OE2 3.37Å; T326-E329 PolarHBondContact O-N 2.8Å; T326-E329 VanDerWaalsContact OG1-CG 3.28Å; T326-E329 WeakPolarHBondContact OG1-CG 3.28Å; T326-E329 PolarHBondContact OG1-OE2 3.45Å; T326-Y330 WeakPolarHBondContact O-CB 3.48Å; T326-Y330 PolarHBondContact O-N 2.54Å
327	V	95.2	Very high	95.3	Very high	9 Å²	9	51.3 Å²	51.3	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-41.5	178.4	172	0	0	0	0	112.7	L322 E329 Y330 L331 L373 V376 M392	L322-V327 HydrophobicContact CD1-CG2 4.2Å; V327-E329 PolarHBondContact O-N 3.06Å; V327-Y330 WeakPolarHBondContact O-CB 3.29Å; V327-Y330 PolarHBondContact O-N 3.31Å; V327-L331 HydrophobicContact CG1-CD1 4.16Å; V327-L331 HydrophobicContact CG1-CG 4.29Å; V327-L331 WeakPolarHBondContact O-CG 3.31Å; V327-L331 PolarHBondContact O-N 3.02Å; V327-L373 HydrophobicContact CG1-CD2 3.77Å; V327-V376 HydrophobicContact CB-CG2 3.64Å; V327-V376 HydrophobicContact CG1-CG2 3.59Å; V327-V376 HydrophobicContact CG2-CG1 3.99Å; V327-V376 HydrophobicContact CG2-CG2 3.82Å; V327-M392 HydrophobicContact CG1-CE 3.74Å
328	P	94.9	Very high	95.4	Very high	24 Å²	24	50.3 Å²	50.3	16%	0.156	27%	0.266	C	S	.	.	H	α-helix	trans	-58.7	-45.7	174.7	-28.3	37.9	0	0	0	113.6	Y330 L331 Q332 L380 D388	P328-Y330 VanDerWaalsContact C-N 3.35Å; P328-L331 PolarHBondContact O-N 2.73Å; P328-Q332 WeakPolarHBondContact O-CG 3.34Å; P328-Q332 PolarHBondContact O-N 2.96Å; P328-L380 HydrophobicContact CG-CD2 4.01Å; P328-D388 HydrophobicContact CB-CB 4.5Å
329	E	95.4	Very high	95.4	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-41.6	176.5	-68.5	164.3	154.8	0	0	111.4	N325 T326 V327 L331 Q332 K333	N325-E329 HydrophobicContact CB-CB 4.36Å; T326-E329 WeakPolarHBondContact CB-OE2 3.33Å; T326-E329 PolarHBondContact N-OE2 3.37Å; T326-E329 PolarHBondContact O-N 2.8Å; T326-E329 VanDerWaalsContact OG1-CG 3.28Å; T326-E329 WeakPolarHBondContact OG1-CG 3.28Å; T326-E329 PolarHBondContact OG1-OE2 3.45Å; V327-E329 PolarHBondContact O-N 3.06Å; E329-L331 PolarHBondContact O-N 2.84Å; E329-Q332 PolarHBondContact O-N 2.96Å; E329-K333 PolarHBondContact O-N 3.44Å
330	Y	97.3	Very high	95.3	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-48.8	174.2	176.4	-94.5	0	0	0	111.5	S318 F321 L322 T326 V327 P328 Q332 K333 V334 L365 L373	S318-Y330 WeakPolarHBondContact CB-OH 3.36Å; S318-Y330 WeakPolarHBondContact O-CE2 3.49Å; F321-Y330 HydrophobicContact CB-CD2 4.3Å; F321-Y330 AromaticContact CD1-CD2 3.86Å; F321-Y330 HydrophobicContact CD1-CD2 3.86Å; L322-Y330 HydrophobicContact CB-CD2 3.7Å; L322-Y330 HydrophobicContact CB-CE2 3.77Å; L322-Y330 HydrophobicContact CB-CG 4.35Å; L322-Y330 HydrophobicContact CD1-CD1 3.99Å; L322-Y330 HydrophobicContact CD1-CD2 3.95Å; L322-Y330 HydrophobicContact CD1-CE1 4.49Å; L322-Y330 HydrophobicContact CD1-CE2 4.48Å; L322-Y330 HydrophobicContact CD1-CG 3.7Å; L322-Y330 HydrophobicContact CG-CD2 4.37Å; T326-Y330 WeakPolarHBondContact O-CB 3.48Å; T326-Y330 PolarHBondContact O-N 2.54Å; V327-Y330 WeakPolarHBondContact O-CB 3.29Å; V327-Y330 PolarHBondContact O-N 3.31Å; P328-Y330 VanDerWaalsContact C-N 3.35Å; Y330-Q332 PolarHBondContact O-N 3.49Å; Y330-K333 WeakPolarHBondContact O-CB 3.29Å; Y330-K333 PolarHBondContact O-N 3.24Å; Y330-K333 VanDerWaalsContact O-N 3.12Å; Y330-V334 HydrophobicContact CD1-CG2 4Å; Y330-V334 HydrophobicContact CE1-CG2 3.52Å; Y330-V334 HydrophobicContact CE2-CG2 4.38Å; Y330-V334 WeakPolarHBondContact O-CG2 3.42Å; Y330-V334 PolarHBondContact O-N 3.01Å; Y330-L365 WeakPolarHBondContact CE1-O 3.32Å; Y330-L365 PolarHBondContact OH-O 2.94Å; Y330-L373 HydrophobicContact CD1-CD2 3.6Å; Y330-L373 HydrophobicContact CE1-CD1 4.44Å; Y330-L373 HydrophobicContact CE1-CD2 3.79Å
331	L	96.3	Very high	95.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-36.2	-179.7	-70	179.6	0	0	0	112.7	V327 P328 E329 K333 V334 E335 L373 R391 M392 L395	V327-L331 HydrophobicContact CG1-CD1 4.16Å; V327-L331 HydrophobicContact CG1-CG 4.29Å; V327-L331 WeakPolarHBondContact O-CG 3.31Å; V327-L331 PolarHBondContact O-N 3.02Å; P328-L331 PolarHBondContact O-N 2.73Å; E329-L331 PolarHBondContact O-N 2.84Å; L331-K333 VanDerWaalsContact C-N 3.3Å; L331-K333 PolarHBondContact O-N 3.23Å; L331-V334 WeakPolarHBondContact O-CB 3.48Å; L331-V334 PolarHBondContact O-N 3.42Å; L331-E335 PolarHBondContact O-N 2.96Å; L331-L373 HydrophobicContact CD2-CD1 4.1Å; L331-L373 HydrophobicContact CD2-CD2 3.99Å; L331-L373 HydrophobicContact CG-CD2 4.42Å; L331-R391 HydrophobicContact CB-CG 4.07Å; L331-M392 HydrophobicContact CD1-CB 4.27Å; L331-M392 HydrophobicContact CD1-CE 3.61Å; L331-M392 HydrophobicContact CD1-SD 3.7Å; L331-L395 HydrophobicContact CB-CD1 3.99Å; L331-L395 HydrophobicContact CD2-CD1 3.79Å; L331-L395 HydrophobicContact CG-CD1 4.39Å
332	Q	95.9	Very high	95.5	Very high	86 Å²	86	50.3 Å²	50.3	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-41.1	172	-71.7	174.5	9.2	0	0	111.5	P328 E329 Y330 V334 E335 T336	P328-Q332 WeakPolarHBondContact O-CG 3.34Å; P328-Q332 PolarHBondContact O-N 2.96Å; E329-Q332 PolarHBondContact O-N 2.96Å; Y330-Q332 PolarHBondContact O-N 3.49Å; Q332-V334 VanDerWaalsContact C-N 3.33Å; Q332-E335 PolarHBondContact O-N 2.92Å; Q332-T336 PolarHBondContact O-N 3.45Å; Q332-T336 VanDerWaalsContact O-N 3.1Å; Q332-T336 PolarHBondContact O-OG1 2.69Å
333	K	95.1	Very high	95.5	Very high	62 Å²	62	53.3 Å²	53.3	27%	0.27	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-40	174.6	-174.5	61.2	174.4	177.4	0	111.4	F321 E329 Y330 L331 T336 R337	F321-K333 HydrophobicContact CD1-CB 4.44Å; F321-K333 HydrophobicContact CD2-CG 4.49Å; F321-K333 HydrophobicContact CE1-CB 3.96Å; F321-K333 HydrophobicContact CE1-CG 4.27Å; F321-K333 HydrophobicContact CE2-CG 4.27Å; F321-K333 HydrophobicContact CZ-CB 4.12Å; F321-K333 HydrophobicContact CZ-CG 4.15Å; E329-K333 PolarHBondContact O-N 3.44Å; Y330-K333 WeakPolarHBondContact O-CB 3.29Å; Y330-K333 PolarHBondContact O-N 3.24Å; Y330-K333 VanDerWaalsContact O-N 3.12Å; L331-K333 VanDerWaalsContact C-N 3.3Å; L331-K333 PolarHBondContact O-N 3.23Å; K333-T336 WeakPolarHBondContact O-CB 3.39Å; K333-T336 PolarHBondContact O-N 2.93Å; K333-R337 WeakPolarHBondContact O-CG 3.15Å; K333-R337 PolarHBondContact O-N 3.36Å
334	V	96.7	Very high	95.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-46.9	174.8	171.9	0	0	0	0	111.6	Y330 L331 Q332 T336 R337 L338 L365 I366 L395	Y330-V334 HydrophobicContact CD1-CG2 4Å; Y330-V334 HydrophobicContact CE1-CG2 3.52Å; Y330-V334 HydrophobicContact CE2-CG2 4.38Å; Y330-V334 WeakPolarHBondContact O-CG2 3.42Å; Y330-V334 PolarHBondContact O-N 3.01Å; L331-V334 WeakPolarHBondContact O-CB 3.48Å; L331-V334 PolarHBondContact O-N 3.42Å; Q332-V334 VanDerWaalsContact C-N 3.33Å; V334-T336 VanDerWaalsContact C-N 3.29Å; V334-T336 PolarHBondContact O-N 3.14Å; V334-R337 PolarHBondContact O-N 3Å; V334-L338 HydrophobicContact CG1-CD1 3.92Å; V334-L338 HydrophobicContact CG1-CG 4.3Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.03Å; V334-L365 HydrophobicContact CG1-CB 4.01Å; V334-L365 HydrophobicContact CG1-CD1 4.22Å; V334-L365 HydrophobicContact CG2-CB 4.02Å; V334-L365 HydrophobicContact CG2-CD2 4.44Å; V334-I366 HydrophobicContact CG1-CD1 4Å; V334-I366 HydrophobicContact CG1-CG1 3.89Å; V334-L395 HydrophobicContact CB-CD1 4.42Å; V334-L395 HydrophobicContact CG1-CD1 4.22Å; V334-L395 HydrophobicContact CG1-CD2 4.5Å
335	E	95	Very high	95.7	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-46	175.7	-69.2	-172.1	130.6	0	0	111.3	L331 Q332 R337 L338 N339 R391 R394 L395	L331-E335 PolarHBondContact O-N 2.96Å; Q332-E335 PolarHBondContact O-N 2.92Å; E335-R337 PolarHBondContact O-N 3.29Å; E335-L338 PolarHBondContact O-N 3.02Å; E335-N339 PolarHBondContact O-N 2.82Å; E335-R391 HydrophobicContact CG-CG 4.25Å; E335-R391 VanDerWaalsContact OE2-CD 3.26Å; E335-R391 WeakPolarHBondContact OE2-CD 3.31Å; E335-R391 IonicContact OE2-CZ 3.46Å; E335-R391 IonicContact OE2-NE 2.96Å; E335-R391 PolarHBondContact OE2-NE 3.46Å; E335-R394 IonicContact OE1-NH1 3.22Å; E335-R394 PolarHBondContact OE1-NH1 3.27Å; E335-L395 HydrophobicContact CG-CD1 3.84Å; E335-L395 HydrophobicContact CG-CD2 4.14Å; E335-L395 HydrophobicContact CG-CG 4.31Å
336	T	95.5	Very high	95.6	Very high	70 Å²	70	45.2 Å²	45.2	43%	0.429	22%	0.224	S	C	.	.	H	α-helix	trans	-59.8	-48.9	178.7	-54.7	0	0	0	0	111	Q332 K333 V334 L338 N339 E340	Q332-T336 PolarHBondContact O-N 3.45Å; Q332-T336 VanDerWaalsContact O-N 3.1Å; Q332-T336 PolarHBondContact O-OG1 2.69Å; K333-T336 WeakPolarHBondContact O-CB 3.39Å; K333-T336 PolarHBondContact O-N 2.93Å; V334-T336 VanDerWaalsContact C-N 3.29Å; V334-T336 PolarHBondContact O-N 3.14Å; T336-L338 PolarHBondContact O-N 3.35Å; T336-N339 PolarHBondContact O-N 2.99Å; T336-E340 WeakPolarHBondContact O-CG 3.38Å; T336-E340 PolarHBondContact O-N 2.95Å
337	R	95.7	Very high	95.5	Very high	15 Å²	15	44 Å²	44	6%	0.057	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-42	179.2	-73.4	-52.4	-160.7	-171.9	1	112.5	R176 Y313 Y314 E317 K333 V334 E335 N339 E340 E341 L365	R176-R337 PolarHBondContact O-NH1 2.86Å; R176-R337 PolarHBondContact O-NH2 3.43Å; Y313-R337 PolarHBondContact OH-NH2 3.33Å; Y314-R337 HydrophobicContact CE1-CB 4.01Å; Y314-R337 HydrophobicContact CE1-CG 3.91Å; E317-R337 IonicContact OE1-CZ 3.61Å; E317-R337 IonicContact OE1-NE 3.98Å; E317-R337 PolarHBondContact OE1-NE 3.4Å; E317-R337 IonicContact OE1-NH2 3.08Å; E317-R337 PolarHBondContact OE1-NH2 3.4Å; E317-R337 IonicContact OE2-CZ 3.49Å; E317-R337 IonicContact OE2-NE 2.86Å; E317-R337 PolarHBondContact OE2-NE 3.48Å; E317-R337 IonicContact OE2-NH2 3.93Å; K333-R337 WeakPolarHBondContact O-CG 3.15Å; K333-R337 PolarHBondContact O-N 3.36Å; V334-R337 PolarHBondContact O-N 3Å; E335-R337 PolarHBondContact O-N 3.29Å; R337-N339 VanDerWaalsContact C-N 3.31Å; R337-N339 PolarHBondContact O-N 2.84Å; R337-E340 WeakPolarHBondContact CD-OE2 3.2Å; R337-E340 IonicContact CZ-OE2 2.76Å; R337-E340 IonicContact NE-OE2 2.63Å; R337-E340 IonicContact NH1-OE1 3.65Å; R337-E340 IonicContact NH1-OE2 2.69Å; R337-E340 PolarHBondContact NH1-OE2 3.39Å; R337-E340 PolarHBondContact O-N 3.18Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 2.88Å; R337-L365 HydrophobicContact CB-CD1 4.24Å
338	L	96.2	Very high	95.5	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.6	-71.3	173.7	0	0	0	111.1	V334 E335 T336 E341 R342 I358 C361 E362 L365 L395	V334-L338 HydrophobicContact CG1-CD1 3.92Å; V334-L338 HydrophobicContact CG1-CG 4.3Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.03Å; E335-L338 PolarHBondContact O-N 3.02Å; T336-L338 PolarHBondContact O-N 3.35Å; L338-E341 PolarHBondContact O-N 3.18Å; L338-R342 WeakPolarHBondContact O-CG 3.41Å; L338-R342 PolarHBondContact O-N 3.24Å; L338-R342 VanDerWaalsContact O-N 3.07Å; L338-I358 HydrophobicContact CD2-CD1 4.46Å; L338-C361 HydrophobicContact CD2-CB 3.62Å; L338-E362 HydrophobicContact CD1-CG 4.39Å; L338-E362 HydrophobicContact CD2-CG 4.09Å; L338-L365 HydrophobicContact CD2-CD1 4.29Å; L338-L365 HydrophobicContact CG-CD1 4.42Å; L338-L395 HydrophobicContact CD1-CD2 4.07Å
339	N	95.8	Very high	95.5	Very high	80 Å²	80	42.7 Å²	42.7	43%	0.428	21%	0.208	S	C	.	.	H	α-helix	trans	-66.4	-43.4	177.1	-169.7	40.5	0	0	0	112.5	E335 T336 R337 E341 R342 I343	E335-N339 PolarHBondContact O-N 2.82Å; T336-N339 PolarHBondContact O-N 2.99Å; R337-N339 VanDerWaalsContact C-N 3.31Å; R337-N339 PolarHBondContact O-N 2.84Å; N339-E341 VanDerWaalsContact C-N 3.28Å; N339-E341 PolarHBondContact O-N 2.91Å; N339-R342 WeakPolarHBondContact O-CB 3.26Å; N339-R342 PolarHBondContact O-N 3.21Å; N339-R342 VanDerWaalsContact O-N 3.09Å; N339-I343 WeakPolarHBondContact O-CG1 3.3Å; N339-I343 PolarHBondContact O-N 3.08Å
340	E	95	Very high	95.4	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	19%	0.191	S	C	.	.	H	α-helix	trans	-55.3	-43.1	174	-73.5	171	-174.7	0	0	111.7	T336 R337 I343 R344	T336-E340 WeakPolarHBondContact O-CG 3.38Å; T336-E340 PolarHBondContact O-N 2.95Å; R337-E340 WeakPolarHBondContact CD-OE2 3.2Å; R337-E340 IonicContact CZ-OE2 2.76Å; R337-E340 IonicContact NE-OE2 2.63Å; R337-E340 IonicContact NH1-OE1 3.65Å; R337-E340 IonicContact NH1-OE2 2.69Å; R337-E340 PolarHBondContact NH1-OE2 3.39Å; R337-E340 PolarHBondContact O-N 3.18Å; E340-I343 PolarHBondContact O-N 3.45Å; E340-R344 VanDerWaalsContact O-CB 3.31Å; E340-R344 WeakPolarHBondContact O-CB 3.45Å; E340-R344 PolarHBondContact O-N 2.94Å
341	E	96.9	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-33.9	176.8	-68	-63.6	162	0	0	113	R176 Y314 R337 L338 N339 R344 V345 L357 I358	R176-E341 IonicContact CZ-OE1 2.81Å; R176-E341 IonicContact NE-OE1 3.62Å; R176-E341 PolarHBondContact NE-OE1 2.83Å; R176-E341 IonicContact NH2-OE1 3.9Å; R176-E341 PolarHBondContact NH2-OE1 2.9Å; R176-E341 IonicContact NH2-OE2 3.34Å; R176-E341 PolarHBondContact NH2-OE2 3.12Å; Y314-E341 HydrophobicContact CE2-CG 3.94Å; Y314-E341 WeakPolarHBondContact CE2-OE1 3.45Å; Y314-E341 VanDerWaalsContact OH-CG 3.26Å; Y314-E341 WeakPolarHBondContact OH-CG 3.12Å; Y314-E341 PolarHBondContact OH-OE1 2.8Å; R337-E341 WeakPolarHBondContact O-CG 3.46Å; R337-E341 PolarHBondContact O-N 2.88Å; L338-E341 PolarHBondContact O-N 3.18Å; N339-E341 VanDerWaalsContact C-N 3.28Å; N339-E341 PolarHBondContact O-N 2.91Å; E341-R344 PolarHBondContact O-N 2.85Å; E341-R344 IonicContact OE1-CZ 3.48Å; E341-R344 IonicContact OE1-NH1 3.14Å; E341-R344 PolarHBondContact OE1-NH1 3.09Å; E341-R344 IonicContact OE2-CZ 3.4Å; E341-R344 IonicContact OE2-NH1 3.36Å; E341-R344 PolarHBondContact OE2-NH1 3.07Å; E341-V345 WeakPolarHBondContact O-CG2 3.45Å; E341-V345 PolarHBondContact O-N 2.87Å; E341-V345 VanDerWaalsContact O-N 3.11Å; E341-L357 HydrophobicContact CB-CD2 3.99Å; E341-L357 HydrophobicContact CB-CG 4.33Å; E341-L357 WeakPolarHBondContact OE2-CD2 3.37Å; E341-I358 HydrophobicContact CB-CD1 4.36Å
342	R	97	Very high	95	Very high	73 Å²	73	43.9 Å²	43.9	28%	0.275	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-49.1	172.9	-68.5	180	-173.5	-75.8	-0.5	111.1	L338 N339 R344 V345 Q346 L354 I358	L338-R342 WeakPolarHBondContact O-CG 3.41Å; L338-R342 PolarHBondContact O-N 3.24Å; L338-R342 VanDerWaalsContact O-N 3.07Å; N339-R342 WeakPolarHBondContact O-CB 3.26Å; N339-R342 PolarHBondContact O-N 3.21Å; N339-R342 VanDerWaalsContact O-N 3.09Å; R342-R344 VanDerWaalsContact C-N 3.29Å; R342-R344 PolarHBondContact O-N 3.49Å; R342-V345 PolarHBondContact O-N 2.96Å; R342-Q346 WeakPolarHBondContact O-CG 3.4Å; R342-Q346 PolarHBondContact O-N 2.91Å; R342-Q346 VanDerWaalsContact O-N 3.08Å; R342-L354 HydrophobicContact CB-CD1 4.45Å; R342-L354 HydrophobicContact CG-CD1 4.11Å; R342-I358 HydrophobicContact CG-CD1 3.68Å; R342-I358 HydrophobicContact CG-CG1 4.37Å
343	I	95	Very high	95	Very high	79 Å²	79	39.8 Å²	39.8	41%	0.405	20%	0.199	S	C	.	.	H	α-helix	trans	-61	-41.5	177.9	-66.8	167.7	0	0	0	110.2	N339 E340 V345 Q346 T347	N339-I343 WeakPolarHBondContact O-CG1 3.3Å; N339-I343 PolarHBondContact O-N 3.08Å; E340-I343 PolarHBondContact O-N 3.45Å; I343-V345 VanDerWaalsContact C-N 3.33Å; I343-V345 PolarHBondContact O-N 3.18Å; I343-Q346 PolarHBondContact O-N 3.28Å; I343-T347 WeakPolarHBondContact O-CB 3.36Å; I343-T347 PolarHBondContact O-N 3.46Å; I343-T347 PolarHBondContact O-OG1 3.25Å
344	R	94.7	Very high	95	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-47.8	176	-179.3	172.1	-66.1	96.3	7	111.9	E175 E340 E341 R342 Q346 T347 Y348 L349	E175-R344 IonicContact OE2-CZ 2.74Å; E175-R344 IonicContact OE2-NE 2.8Å; E175-R344 PolarHBondContact OE2-NE 3.43Å; E175-R344 IonicContact OE2-NH2 2.69Å; E175-R344 PolarHBondContact OE2-NH2 2.69Å; E340-R344 VanDerWaalsContact O-CB 3.31Å; E340-R344 WeakPolarHBondContact O-CB 3.45Å; E340-R344 PolarHBondContact O-N 2.94Å; E341-R344 PolarHBondContact O-N 2.85Å; E341-R344 IonicContact OE1-CZ 3.48Å; E341-R344 IonicContact OE1-NH1 3.14Å; E341-R344 PolarHBondContact OE1-NH1 3.09Å; E341-R344 IonicContact OE2-CZ 3.4Å; E341-R344 IonicContact OE2-NH1 3.36Å; E341-R344 PolarHBondContact OE2-NH1 3.07Å; R342-R344 VanDerWaalsContact C-N 3.29Å; R342-R344 PolarHBondContact O-N 3.49Å; R344-Q346 PolarHBondContact O-N 3.01Å; R344-T347 PolarHBondContact O-N 3Å; R344-Y348 WeakPolarHBondContact CD-OH 3.36Å; R344-Y348 HydrophobicContact CG-CE1 3.84Å; R344-Y348 HydrophobicContact CG-CE2 3.99Å; R344-Y348 VanDerWaalsContact CG-CZ 3.43Å; R344-Y348 VanDerWaalsContact CG-OH 3.25Å; R344-Y348 WeakPolarHBondContact CG-OH 3.4Å; R344-Y348 PolarHBondContact NE-OH 2.91Å; R344-Y348 PolarHBondContact O-N 3.39Å; R344-L349 HydrophobicContact CG-CD1 4.08Å; R344-L349 HydrophobicContact CG-CG 4.49Å
345	V	95.9	Very high	95	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.4	178.3	175.2	0	0	0	0	111.1	E341 R342 I343 T347 L349 L354 L357	E341-V345 WeakPolarHBondContact O-CG2 3.45Å; E341-V345 PolarHBondContact O-N 2.87Å; E341-V345 VanDerWaalsContact O-N 3.11Å; R342-V345 PolarHBondContact O-N 2.96Å; I343-V345 VanDerWaalsContact C-N 3.33Å; I343-V345 PolarHBondContact O-N 3.18Å; V345-T347 PolarHBondContact O-N 3.5Å; V345-L349 HydrophobicContact CB-CB 4.39Å; V345-L349 HydrophobicContact CG1-CB 4.24Å; V345-L349 HydrophobicContact CG2-CB 4.39Å; V345-L349 HydrophobicContact CG2-CD1 3.89Å; V345-L349 CarbonylContact O-C 3.52Å; V345-L349 PolarHBondContact O-N 3.48Å; V345-L349 VanDerWaalsContact O-N 3.09Å; V345-L354 HydrophobicContact CB-CD1 4.16Å; V345-L354 HydrophobicContact CG1-CB 3.91Å; V345-L354 HydrophobicContact CG1-CD1 4.42Å; V345-L354 HydrophobicContact CG2-CB 4.49Å; V345-L354 HydrophobicContact CG2-CD1 4.15Å; V345-L357 HydrophobicContact CG2-CD2 3.43Å; V345-L357 VanDerWaalsContact CG2-CD2 3.43Å
346	Q	93.9	Very high	95.1	Very high	140 Å²	140	43.2 Å²	43.2	65%	0.654	22%	0.223	S	C	*	.	H	α-helix	trans	-61.9	-32.4	178.1	-69.3	174.1	-12.3	0	0	113.1	R342 I343 R344	R342-Q346 WeakPolarHBondContact O-CG 3.4Å; R342-Q346 PolarHBondContact O-N 2.91Å; R342-Q346 VanDerWaalsContact O-N 3.08Å; I343-Q346 PolarHBondContact O-N 3.28Å; R344-Q346 PolarHBondContact O-N 3.01Å
347	T	93.2	Very high	95.2	Very high	49 Å²	49	39.9 Å²	39.9	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-77.1	-45.2	-174.3	-56.1	0	0	0	0	112.2	T183 I343 R344 V345	T183-T347 HydrophobicContact CG2-CG2 4.1Å; I343-T347 WeakPolarHBondContact O-CB 3.36Å; I343-T347 PolarHBondContact O-N 3.46Å; I343-T347 PolarHBondContact O-OG1 3.25Å; R344-T347 PolarHBondContact O-N 3Å; V345-T347 PolarHBondContact O-N 3.5Å
348	Y	93.6	Very high	95.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-151.4	2.9	-171.1	61.7	-100.7	0	0	0	116.9	I172 E175 T183 L186 I190 R344	I172-Y348 HydrophobicContact CD1-CE2 4.21Å; I172-Y348 HydrophobicContact CG1-CE2 4.27Å; E175-Y348 PolarHBondContact OE2-OH 3.37Å; T183-Y348 HydrophobicContact CG2-CD1 3.95Å; T183-Y348 HydrophobicContact CG2-CE1 3.9Å; L186-Y348 HydrophobicContact CB-CD2 4Å; L186-Y348 HydrophobicContact CB-CE2 4.36Å; L186-Y348 HydrophobicContact CB-CG 4.21Å; L186-Y348 HydrophobicContact CD1-CD2 4.42Å; L186-Y348 HydrophobicContact CD1-CE1 4.41Å; L186-Y348 HydrophobicContact CD1-CE2 3.97Å; I190-Y348 WeakPolarHBondContact CB-O 3.24Å; I190-Y348 VanDerWaalsContact CG2-O 3.29Å; I190-Y348 WeakPolarHBondContact CG2-O 3.18Å; R344-Y348 WeakPolarHBondContact CD-OH 3.36Å; R344-Y348 HydrophobicContact CG-CE1 3.84Å; R344-Y348 HydrophobicContact CG-CE2 3.99Å; R344-Y348 VanDerWaalsContact CG-CZ 3.43Å; R344-Y348 VanDerWaalsContact CG-OH 3.25Å; R344-Y348 WeakPolarHBondContact CG-OH 3.4Å; R344-Y348 PolarHBondContact NE-OH 2.91Å; R344-Y348 PolarHBondContact O-N 3.39Å
349	L	95.2	Very high	95.2	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-104.6	163.6	175.5	-49.1	177.7	0	0	0	111.4	I190 F302 F306 R344 V345 T353	I190-L349 HydrophobicContact CD1-CD2 4.49Å; I190-L349 HydrophobicContact CG1-CD2 4.29Å; F302-L349 HydrophobicContact CE1-CD2 3.65Å; F302-L349 HydrophobicContact CZ-CD2 3.61Å; F306-L349 HydrophobicContact CE1-CD1 3.81Å; F306-L349 HydrophobicContact CE2-CD1 4.49Å; F306-L349 HydrophobicContact CZ-CD1 3.76Å; R344-L349 HydrophobicContact CG-CD1 4.08Å; R344-L349 HydrophobicContact CG-CG 4.49Å; V345-L349 HydrophobicContact CB-CB 4.39Å; V345-L349 HydrophobicContact CG1-CB 4.24Å; V345-L349 HydrophobicContact CG2-CB 4.39Å; V345-L349 HydrophobicContact CG2-CD1 3.89Å; V345-L349 CarbonylContact O-C 3.52Å; V345-L349 PolarHBondContact O-N 3.48Å; V345-L349 VanDerWaalsContact O-N 3.09Å; L349-T353 HydrophobicContact CD1-CG2 4.44Å
350	H	92.9	Very high	95.2	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.069	22%	0.215	C	C	.	.			trans	-73.5	140.4	173.2	-171.9	-95.7	0	0	0	110.3	V194 L295 Y298 S352 T353	V194-H350 HydrophobicContact CG2-CB 4.08Å; L295-H350 VanDerWaalsContact CD1-CE1 3.48Å; L295-H350 WeakPolarHBondContact CD1-CE1 3.48Å; Y298-H350 HydrophobicContact CD1-CB 4.31Å; Y298-H350 HydrophobicContact CE1-CB 3.79Å; Y298-H350 HydrophobicContact CE2-CB 4.38Å; Y298-H350 PolarHBondContact OH-N 3.09Å; H350-S352 VanDerWaalsContact ND1-CB 3.28Å; H350-S352 WeakPolarHBondContact ND1-CB 3.2Å; H350-S352 PolarHBondContact ND1-N 2.92Å; H350-S352 VanDerWaalsContact ND1-N 3.19Å; H350-S352 PolarHBondContact ND1-OG 3.25Å; H350-S352 PolarHBondContact O-N 3.33Å; H350-T353 VanDerWaalsContact O-CB 3.29Å; H350-T353 WeakPolarHBondContact O-CB 3.15Å; H350-T353 PolarHBondContact O-N 3.26Å; H350-T353 PolarHBondContact O-OG1 3.38Å
351	I	93.2	Very high	95.3	Very high	78 Å²	78	41.5 Å²	41.5	40%	0.4	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-58.6	-26.6	-175.4	-170.5	59.6	0	0	0	113.4	T353 L354	I351-T353 PolarHBondContact O-N 3.05Å; I351-T353 VanDerWaalsContact O-N 3.12Å; I351-L354 HydrophobicContact CD1-CB 4.37Å; I351-L354 HydrophobicContact CD1-CD2 4.04Å; I351-L354 WeakPolarHBondContact O-CB 3.45Å; I351-L354 PolarHBondContact O-N 3.38Å
352	S	92.4	Very high	95.2	Very high	29 Å²	29	43.7 Å²	43.7	20%	0.203	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20.4	175.4	68.6	0	0	0	0	114.1	H350 P355	H350-S352 VanDerWaalsContact ND1-CB 3.28Å; H350-S352 WeakPolarHBondContact ND1-CB 3.2Å; H350-S352 PolarHBondContact ND1-N 2.92Å; H350-S352 VanDerWaalsContact ND1-N 3.19Å; H350-S352 PolarHBondContact ND1-OG 3.25Å; H350-S352 PolarHBondContact O-N 3.33Å; S352-P355 WeakPolarHBondContact O-CD 3.35Å
353	T	95.6	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-78	-29.9	-178.8	-55.6	0	0	0	0	111.4	Y298 E303 F306 L349 H350 I351 K356 L357	Y298-T353 VanDerWaalsContact CE1-OG1 3.27Å; Y298-T353 WeakPolarHBondContact CE1-OG1 3.27Å; Y298-T353 PolarHBondContact OH-OG1 3.49Å; E303-T353 HydrophobicContact CG-CG2 4.12Å; E303-T353 PolarHBondContact OE1-OG1 3.46Å; F306-T353 HydrophobicContact CD1-CG2 4.13Å; F306-T353 HydrophobicContact CE1-CG2 3.88Å; L349-T353 HydrophobicContact CD1-CG2 4.44Å; H350-T353 VanDerWaalsContact O-CB 3.29Å; H350-T353 WeakPolarHBondContact O-CB 3.15Å; H350-T353 PolarHBondContact O-N 3.26Å; H350-T353 PolarHBondContact O-OG1 3.38Å; I351-T353 PolarHBondContact O-N 3.05Å; I351-T353 VanDerWaalsContact O-N 3.12Å; T353-K356 PolarHBondContact O-N 2.9Å; T353-K356 VanDerWaalsContact O-N 3.13Å; T353-L357 HydrophobicContact CG2-CB 4.3Å; T353-L357 VanDerWaalsContact O-CB 3.29Å; T353-L357 WeakPolarHBondContact O-CB 3.49Å; T353-L357 PolarHBondContact O-N 2.91Å
354	L	96.4	Very high	95.2	Very high	36 Å²	36	41.5 Å²	41.5	19%	0.188	20%	0.202	C	C	.	.	H	α-helix	trans	-49.8	-55.3	-176.5	-174.6	64.4	0	0	0	113.7	R342 V345 I351 K356 L357 I358	R342-L354 HydrophobicContact CB-CD1 4.45Å; R342-L354 HydrophobicContact CG-CD1 4.11Å; V345-L354 HydrophobicContact CB-CD1 4.16Å; V345-L354 HydrophobicContact CG1-CB 3.91Å; V345-L354 HydrophobicContact CG1-CD1 4.42Å; V345-L354 HydrophobicContact CG2-CB 4.49Å; V345-L354 HydrophobicContact CG2-CD1 4.15Å; I351-L354 HydrophobicContact CD1-CB 4.37Å; I351-L354 HydrophobicContact CD1-CD2 4.04Å; I351-L354 WeakPolarHBondContact O-CB 3.45Å; I351-L354 PolarHBondContact O-N 3.38Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 3.31Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-I358 HydrophobicContact CD1-CD1 4.33Å; L354-I358 HydrophobicContact CD1-CG1 3.78Å; L354-I358 HydrophobicContact CG-CG1 4.37Å; L354-I358 WeakPolarHBondContact O-CB 3.15Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.38Å
355	P	96.1	Very high	95.3	Very high	78 Å²	78	41.3 Å²	41.3	51%	0.506	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-31	-177.2	25.1	-35.7	0	0	0	113.3	S352 R359	S352-P355 WeakPolarHBondContact O-CD 3.35Å; P355-R359 VanDerWaalsContact O-CB 3.28Å; P355-R359 WeakPolarHBondContact O-CB 3.46Å; P355-R359 PolarHBondContact O-N 3.22Å
356	K	96.5	Very high	95.3	Very high	74 Å²	74	41.2 Å²	41.2	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-75.7	-43.5	178.9	-61	172.8	-171.3	160.8	0	110.9	E303 L307 T353 L354 S360	E303-K356 WeakPolarHBondContact OE1-CD 3.25Å; E303-K356 IonicContact OE1-NZ 2.85Å; E303-K356 PolarHBondContact OE1-NZ 3.25Å; E303-K356 IonicContact OE2-NZ 3.91Å; E303-K356 PolarHBondContact OE2-NZ 2.81Å; L307-K356 HydrophobicContact CD1-CB 3.86Å; L307-K356 HydrophobicContact CD1-CD 4.18Å; L307-K356 HydrophobicContact CD2-CB 4.29Å; T353-K356 PolarHBondContact O-N 2.9Å; T353-K356 VanDerWaalsContact O-N 3.13Å; L354-K356 VanDerWaalsContact C-N 3.29Å; L354-K356 PolarHBondContact O-N 3.31Å; K356-S360 VanDerWaalsContact O-CB 3.29Å; K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 2.9Å
357	L	97.2	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-52	179.3	177.2	61.8	0	0	0	111.1	F306 L307 T310 E341 V345 T353 L354 R359 S360 C361	F306-L357 HydrophobicContact CE1-CD1 3.78Å; F306-L357 HydrophobicContact CE1-CD2 4.06Å; F306-L357 HydrophobicContact CE1-CG 4.4Å; F306-L357 HydrophobicContact CZ-CD1 3.84Å; F306-L357 HydrophobicContact CZ-CD2 4.06Å; L307-L357 HydrophobicContact CD2-CB 4.06Å; L307-L357 HydrophobicContact CD2-CD1 4.19Å; T310-L357 HydrophobicContact CG2-CD1 3.7Å; E341-L357 HydrophobicContact CB-CD2 3.99Å; E341-L357 HydrophobicContact CB-CG 4.33Å; E341-L357 WeakPolarHBondContact OE2-CD2 3.37Å; V345-L357 HydrophobicContact CG2-CD2 3.43Å; V345-L357 VanDerWaalsContact CG2-CD2 3.43Å; T353-L357 HydrophobicContact CG2-CB 4.3Å; T353-L357 VanDerWaalsContact O-CB 3.29Å; T353-L357 WeakPolarHBondContact O-CB 3.49Å; T353-L357 PolarHBondContact O-N 2.91Å; L354-L357 PolarHBondContact O-N 2.98Å; L357-R359 PolarHBondContact O-N 3.31Å; L357-S360 WeakPolarHBondContact O-CB 3.35Å; L357-S360 PolarHBondContact O-N 3.5Å; L357-S360 VanDerWaalsContact O-N 3.15Å; L357-C361 PolarHBondContact O-N 3.03Å; L357-C361 PolarHBondContact O-SG 3.49Å
358	I	96.8	Very high	95.4	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-44.4	-178.6	-64.7	-59.5	0	0	0	111.1	L338 E341 R342 L354 S360 C361 E362	L338-I358 HydrophobicContact CD2-CD1 4.46Å; E341-I358 HydrophobicContact CB-CD1 4.36Å; R342-I358 HydrophobicContact CG-CD1 3.68Å; R342-I358 HydrophobicContact CG-CG1 4.37Å; L354-I358 HydrophobicContact CD1-CD1 4.33Å; L354-I358 HydrophobicContact CD1-CG1 3.78Å; L354-I358 HydrophobicContact CG-CG1 4.37Å; L354-I358 WeakPolarHBondContact O-CB 3.15Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.38Å; I358-S360 VanDerWaalsContact C-N 3.28Å; I358-S360 PolarHBondContact O-N 3.43Å; I358-C361 PolarHBondContact O-N 3.42Å; I358-E362 HydrophobicContact CG2-CG 4.14Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.36Å; I358-E362 WeakPolarHBondContact O-CB 3.4Å; I358-E362 VanDerWaalsContact O-CG 3.31Å; I358-E362 WeakPolarHBondContact O-CG 3.42Å; I358-E362 PolarHBondContact O-N 2.87Å
359	R	95.7	Very high	95.5	Very high	179 Å²	179	38.7 Å²	38.7	68%	0.675	19%	0.19	S	C	*	.	H	α-helix	trans	-57.3	-43.2	175.1	-176.2	-170.9	-58.3	172.2	0.1	112.2	P355 L357 H363	P355-R359 VanDerWaalsContact O-CB 3.28Å; P355-R359 WeakPolarHBondContact O-CB 3.46Å; P355-R359 PolarHBondContact O-N 3.22Å; L357-R359 PolarHBondContact O-N 3.31Å; R359-H363 WeakPolarHBondContact O-CB 3.43Å; R359-H363 PolarHBondContact O-N 3.32Å
360	S	95.4	Very high	95.5	Very high	13 Å²	13	39 Å²	39	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-49.3	176.8	174	0	0	0	0	111.1	E311 K356 L357 I358 E362 H363 Y364	E311-S360 WeakPolarHBondContact CG-OG 3.45Å; K356-S360 VanDerWaalsContact O-CB 3.29Å; K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 2.9Å; L357-S360 WeakPolarHBondContact O-CB 3.35Å; L357-S360 PolarHBondContact O-N 3.5Å; L357-S360 VanDerWaalsContact O-N 3.15Å; I358-S360 VanDerWaalsContact C-N 3.28Å; I358-S360 PolarHBondContact O-N 3.43Å; S360-E362 PolarHBondContact O-N 3.03Å; S360-H363 PolarHBondContact O-N 2.9Å; S360-Y364 WeakPolarHBondContact O-CD2 3.39Å; S360-Y364 PolarHBondContact O-N 3.33Å; S360-Y364 VanDerWaalsContact O-N 3.14Å
361	C	96.7	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-48	177.3	-63.4	0	0	0	0	111.5	Y314 L338 L357 I358 H363 Y364 L365	Y314-C361 HydrophobicContact CD2-CB 4.4Å; Y314-C361 HydrophobicContact CE2-CB 4.48Å; Y314-C361 WeakPolarHBondContact CE2-SG 3.35Å; L338-C361 HydrophobicContact CD2-CB 3.62Å; L357-C361 PolarHBondContact O-N 3.03Å; L357-C361 PolarHBondContact O-SG 3.49Å; I358-C361 PolarHBondContact O-N 3.42Å; C361-H363 VanDerWaalsContact C-N 3.31Å; C361-H363 PolarHBondContact O-N 3.33Å; C361-Y364 PolarHBondContact O-N 3.09Å; C361-L365 HydrophobicContact CB-CD1 4.11Å; C361-L365 WeakPolarHBondContact O-CB 3.35Å; C361-L365 WeakPolarHBondContact O-CG 3.39Å; C361-L365 PolarHBondContact O-N 3.12Å
362	E	95.9	Very high	95.5	Very high	46 Å²	46	48 Å²	48	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-41.7	176.9	-73	171.5	167.3	0	0	111.7	L338 I358 S360 I366 G367 F399	L338-E362 HydrophobicContact CD1-CG 4.39Å; L338-E362 HydrophobicContact CD2-CG 4.09Å; I358-E362 HydrophobicContact CG2-CG 4.14Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.36Å; I358-E362 WeakPolarHBondContact O-CB 3.4Å; I358-E362 VanDerWaalsContact O-CG 3.31Å; I358-E362 WeakPolarHBondContact O-CG 3.42Å; I358-E362 PolarHBondContact O-N 2.87Å; S360-E362 PolarHBondContact O-N 3.03Å; E362-I366 HydrophobicContact CG-CD1 4.48Å; E362-I366 WeakPolarHBondContact O-CA 3.49Å; E362-I366 VanDerWaalsContact O-CB 3.3Å; E362-I366 WeakPolarHBondContact O-CB 3.44Å; E362-I366 PolarHBondContact O-N 3.36Å; E362-G367 PolarHBondContact O-N 2.69Å; E362-F399 HydrophobicContact CB-CZ 4.09Å; E362-F399 WeakPolarHBondContact O-CZ 3.46Å
363	H	95.9	Very high	95.7	Very high	87 Å²	87	46.6 Å²	46.6	40%	0.403	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-47.3	177.6	-179.5	63.2	0	0	0	112.6	R359 S360 C361 G367 E368	R359-H363 WeakPolarHBondContact O-CB 3.43Å; R359-H363 PolarHBondContact O-N 3.32Å; S360-H363 PolarHBondContact O-N 2.9Å; C361-H363 VanDerWaalsContact C-N 3.31Å; C361-H363 PolarHBondContact O-N 3.33Å; H363-G367 CarbonylContact O-C 3.2Å; H363-G367 WeakPolarHBondContact O-CA 3.47Å; H363-G367 PolarHBondContact O-N 2.97Å; H363-E368 PolarHBondContact O-N 2.85Å
364	Y	96.2	Very high	95.6	Very high	20 Å²	20	47 Å²	47	8%	0.078	22%	0.223	C	C	.	.	H	α-helix	trans	-83.7	-29.5	-176.5	-68.8	-62.4	0	0	0	114.2	E311 R315 S318 S360 C361 E368 H369	E311-Y364 HydrophobicContact CB-CD2 3.92Å; E311-Y364 HydrophobicContact CB-CE2 3.45Å; E311-Y364 VanDerWaalsContact CB-CE2 3.45Å; E311-Y364 HydrophobicContact CG-CD2 3.89Å; E311-Y364 HydrophobicContact CG-CE2 3.28Å; E311-Y364 WeakPolarHBondContact OE2-CE2 3.12Å; E311-Y364 PolarHBondContact OE2-OH 2.87Å; R315-Y364 HydrophobicContact CB-CD1 4.08Å; R315-Y364 HydrophobicContact CB-CG 4.49Å; R315-Y364 HydrophobicContact CG-CD1 4.4Å; R315-Y364 PolarHBondContact NH2-OH 2.85Å; S318-Y364 PolarHBondContact OG-O 3.12Å; S360-Y364 WeakPolarHBondContact O-CD2 3.39Å; S360-Y364 PolarHBondContact O-N 3.33Å; S360-Y364 VanDerWaalsContact O-N 3.14Å; C361-Y364 PolarHBondContact O-N 3.09Å; Y364-E368 HydrophobicContact CD1-CG 4.24Å; Y364-E368 VanDerWaalsContact CE1-OE1 3.28Å; Y364-E368 WeakPolarHBondContact CE1-OE1 3.42Å; Y364-H369 PolarHBondContact O-CD2 3.16Å
365	L	96.5	Very high	95.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-84.1	-30.2	177.7	-66.3	173.3	0	0	0	112.3	Y314 Y330 V334 R337 L338 C361	Y314-L365 HydrophobicContact CD1-CD1 4.29Å; Y314-L365 HydrophobicContact CD1-CD2 3.7Å; Y314-L365 HydrophobicContact CD1-CG 4.27Å; Y314-L365 HydrophobicContact CE1-CD2 4.46Å; Y314-L365 HydrophobicContact CG-CD1 4.44Å; Y314-L365 HydrophobicContact CG-CD2 4.07Å; Y314-L365 HydrophobicContact CG-CG 4.25Å; Y330-L365 WeakPolarHBondContact CE1-O 3.32Å; Y330-L365 PolarHBondContact OH-O 2.94Å; V334-L365 HydrophobicContact CG1-CB 4.01Å; V334-L365 HydrophobicContact CG1-CD1 4.22Å; V334-L365 HydrophobicContact CG2-CB 4.02Å; V334-L365 HydrophobicContact CG2-CD2 4.44Å; R337-L365 HydrophobicContact CB-CD1 4.24Å; L338-L365 HydrophobicContact CD2-CD1 4.29Å; L338-L365 HydrophobicContact CG-CD1 4.42Å; C361-L365 HydrophobicContact CB-CD1 4.11Å; C361-L365 WeakPolarHBondContact O-CB 3.35Å; C361-L365 WeakPolarHBondContact O-CG 3.39Å; C361-L365 PolarHBondContact O-N 3.12Å
366	I	96.5	Very high	95.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-54.9	-173.9	-53.6	164	0	0	0	110	V334 E362 E368 H369 I370 L373 L395 V396 F399	V334-I366 HydrophobicContact CG1-CD1 4Å; V334-I366 HydrophobicContact CG1-CG1 3.89Å; E362-I366 HydrophobicContact CG-CD1 4.48Å; E362-I366 WeakPolarHBondContact O-CA 3.49Å; E362-I366 VanDerWaalsContact O-CB 3.3Å; E362-I366 WeakPolarHBondContact O-CB 3.44Å; E362-I366 PolarHBondContact O-N 3.36Å; I366-E368 PolarHBondContact O-N 3.03Å; I366-H369 CarbonylContact O-C 3.58Å; I366-H369 PolarHBondContact O-N 2.73Å; I366-I370 WeakPolarHBondContact O-CG1 3.39Å; I366-I370 PolarHBondContact O-N 2.77Å; I366-L373 HydrophobicContact CB-CD1 4.5Å; I366-L373 HydrophobicContact CG2-CD1 3.91Å; I366-L395 HydrophobicContact CD1-CB 3.94Å; I366-L395 HydrophobicContact CD1-CD2 4.16Å; I366-V396 HydrophobicContact CG2-CG2 3.96Å; I366-F399 HydrophobicContact CB-CD2 4.48Å; I366-F399 HydrophobicContact CB-CE2 3.62Å; I366-F399 HydrophobicContact CB-CZ 3.95Å; I366-F399 HydrophobicContact CD1-CE2 4.19Å; I366-F399 HydrophobicContact CG2-CD2 3.79Å; I366-F399 HydrophobicContact CG2-CE2 3.4Å; I366-F399 HydrophobicContact CG2-CZ 4.14Å
367	G	94.8	Very high	95.1	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-53.1	-49.7	-172.9	0	0	0	0	0	115	E362 H363 H369 I370	E362-G367 PolarHBondContact O-N 2.69Å; H363-G367 CarbonylContact O-C 3.2Å; H363-G367 WeakPolarHBondContact O-CA 3.47Å; H363-G367 PolarHBondContact O-N 2.97Å; G367-H369 PolarHBondContact O-N 2.94Å; G367-I370 WeakPolarHBondContact O-CG1 3.47Å
368	E	94.4	Very high	95	Very high	87 Å²	87	44.9 Å²	44.9	41%	0.407	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.4	-17.4	178.2	-72.4	-168.2	161.9	0	0	113.2	R315 H363 Y364 I366	R315-E368 IonicContact CZ-OE1 2.72Å; R315-E368 IonicContact NE-OE1 3.97Å; R315-E368 PolarHBondContact NE-OE1 2.84Å; R315-E368 IonicContact NE-OE2 3.96Å; R315-E368 IonicContact NH2-OE1 3.45Å; H363-E368 PolarHBondContact O-N 2.85Å; Y364-E368 HydrophobicContact CD1-CG 4.24Å; Y364-E368 VanDerWaalsContact CE1-OE1 3.28Å; Y364-E368 WeakPolarHBondContact CE1-OE1 3.42Å; I366-E368 PolarHBondContact O-N 3.03Å
369	H	95.1	Very high	94.8	Very high	32 Å²	32	48.5 Å²	48.5	15%	0.148	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-112.5	6.5	-174.8	-60	-64.1	0	0	0	114.1	S318 L322 Y364 I366 G367 D371 R372 L373	S318-H369 WeakPolarHBondContact CB-NE2 3.42Å; S318-H369 PolarHBondContact OG-NE2 3.27Å; S318-H369 VanDerWaalsContact OG-NE2 3.08Å; L322-H369 HydrophobicContact CD2-CB 3.82Å; Y364-H369 PolarHBondContact O-CD2 3.16Å; I366-H369 CarbonylContact O-C 3.58Å; I366-H369 PolarHBondContact O-N 2.73Å; G367-H369 PolarHBondContact O-N 2.94Å; H369-D371 VanDerWaalsContact C-N 3.29Å; H369-D371 PolarHBondContact O-N 2.93Å; H369-D371 VanDerWaalsContact O-N 3.14Å; H369-R372 PolarHBondContact O-N 3.48Å; H369-L373 HydrophobicContact CB-CD1 4.22Å; H369-L373 HydrophobicContact CB-CG 4.17Å; H369-L373 WeakPolarHBondContact O-CG 3.34Å; H369-L373 PolarHBondContact O-N 3.35Å
370	I	94.3	Very high	94.7	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-49.1	-46.1	-172.7	-73.7	174.7	0	0	0	112.8	I366 G367 R372 L373 T374 F399 S401	I366-I370 WeakPolarHBondContact O-CG1 3.39Å; I366-I370 PolarHBondContact O-N 2.77Å; G367-I370 WeakPolarHBondContact O-CG1 3.47Å; I370-R372 VanDerWaalsContact C-N 3.33Å; I370-R372 PolarHBondContact O-N 2.94Å; I370-L373 PolarHBondContact O-N 3.39Å; I370-T374 HydrophobicContact CG2-CG2 4.18Å; I370-T374 WeakPolarHBondContact O-CB 3.37Å; I370-T374 WeakPolarHBondContact O-CG2 3.11Å; I370-T374 PolarHBondContact O-N 3.46Å; I370-T374 PolarHBondContact O-OG1 2.69Å; I370-F399 HydrophobicContact CD1-CB 3.55Å; I370-F399 HydrophobicContact CD1-CD1 3.66Å; I370-F399 HydrophobicContact CD1-CD2 4.34Å; I370-F399 HydrophobicContact CD1-CE1 4.45Å; I370-F399 HydrophobicContact CD1-CG 3.58Å; I370-F399 HydrophobicContact CG1-CG 4.44Å; I370-S401 WeakPolarHBondContact CD1-OG 3.45Å
371	D	94.1	Very high	94.5	Very high	132 Å²	132	40 Å²	40	71%	0.706	21%	0.207	S	C	*	.	H	α-helix	trans	-63.9	-40.8	-176.9	-63.3	-31.4	0	0	0	111.4	H369 T374 S375	H369-D371 VanDerWaalsContact C-N 3.29Å; H369-D371 PolarHBondContact O-N 2.93Å; H369-D371 VanDerWaalsContact O-N 3.14Å; D371-T374 PolarHBondContact O-OG1 3.34Å; D371-S375 WeakPolarHBondContact O-CB 3.35Å; D371-S375 PolarHBondContact O-N 3.19Å
372	R	93.7	Very high	94.2	Very high	150 Å²	150	43.8 Å²	43.8	57%	0.566	23%	0.228	S	C	*	.	H	α-helix	trans	-68.6	-42.6	176.9	-179.4	56.5	174.8	177.6	0.7	111.5	L322 H369 I370 S375	L322-R372 HydrophobicContact CD1-CG 4.45Å; L322-R372 HydrophobicContact CD2-CB 4.38Å; L322-R372 HydrophobicContact CD2-CG 3.94Å; L322-R372 HydrophobicContact CG-CG 4.34Å; H369-R372 PolarHBondContact O-N 3.48Å; I370-R372 VanDerWaalsContact C-N 3.33Å; I370-R372 PolarHBondContact O-N 2.94Å; R372-S375 PolarHBondContact O-N 3.41Å; R372-S375 PolarHBondContact O-OG 3.11Å
373	L	94.9	Very high	94	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-44.5	179.6	-62	175.7	0	0	0	111.1	L322 V327 Y330 L331 I366 H369 I370 S375 V376 M392 V396	L322-L373 HydrophobicContact CD1-CD2 4.29Å; V327-L373 HydrophobicContact CG1-CD2 3.77Å; Y330-L373 HydrophobicContact CD1-CD2 3.6Å; Y330-L373 HydrophobicContact CE1-CD1 4.44Å; Y330-L373 HydrophobicContact CE1-CD2 3.79Å; L331-L373 HydrophobicContact CD2-CD1 4.1Å; L331-L373 HydrophobicContact CD2-CD2 3.99Å; L331-L373 HydrophobicContact CG-CD2 4.42Å; I366-L373 HydrophobicContact CB-CD1 4.5Å; I366-L373 HydrophobicContact CG2-CD1 3.91Å; H369-L373 HydrophobicContact CB-CD1 4.22Å; H369-L373 HydrophobicContact CB-CG 4.17Å; H369-L373 WeakPolarHBondContact O-CG 3.34Å; H369-L373 PolarHBondContact O-N 3.35Å; I370-L373 PolarHBondContact O-N 3.39Å; L373-S375 PolarHBondContact O-N 2.98Å; L373-V376 VanDerWaalsContact O-CG2 3.27Å; L373-V376 WeakPolarHBondContact O-CG2 3.36Å; L373-M392 HydrophobicContact CB-SD 4.22Å; L373-M392 WeakPolarHBondContact O-CE 3.43Å; L373-V396 HydrophobicContact CB-CG2 4.25Å; L373-V396 HydrophobicContact CD1-CG2 4.09Å
374	T	94	Very high	93.7	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-73.3	-25	179.9	55.6	0	0	0	0	113.3	I370 D371 V376 F377 V396 V405 L406	I370-T374 HydrophobicContact CG2-CG2 4.18Å; I370-T374 WeakPolarHBondContact O-CB 3.37Å; I370-T374 WeakPolarHBondContact O-CG2 3.11Å; I370-T374 PolarHBondContact O-N 3.46Å; I370-T374 PolarHBondContact O-OG1 2.69Å; D371-T374 PolarHBondContact O-OG1 3.34Å; T374-V376 PolarHBondContact O-N 3.23Å; T374-V376 VanDerWaalsContact O-N 3.17Å; T374-F377 WeakPolarHBondContact O-CB 3.5Å; T374-F377 PolarHBondContact O-N 2.83Å; T374-V396 HydrophobicContact CG2-CG1 3.82Å; T374-V405 HydrophobicContact CG2-CB 4.2Å; T374-V405 HydrophobicContact CG2-CG1 4.12Å; T374-L406 HydrophobicContact CG2-CD2 4.07Å
375	S	93.3	Very high	93.6	Very high	65 Å²	65	52.5 Å²	52.5	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-25.9	-178.8	70.7	0	0	0	0	115.2	D371 R372 L373	D371-S375 WeakPolarHBondContact O-CB 3.35Å; D371-S375 PolarHBondContact O-N 3.19Å; R372-S375 PolarHBondContact O-N 3.41Å; R372-S375 PolarHBondContact O-OG 3.11Å; L373-S375 PolarHBondContact O-N 2.98Å
376	V	93	Very high	93.3	Very high	29 Å²	29	56.9 Å²	56.9	18%	0.176	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.5	179.8	-60.5	0	0	0	0	112.6	V327 L373 T374 S378 D379 L380 M392	V327-V376 HydrophobicContact CB-CG2 3.64Å; V327-V376 HydrophobicContact CG1-CG2 3.59Å; V327-V376 HydrophobicContact CG2-CG1 3.99Å; V327-V376 HydrophobicContact CG2-CG2 3.82Å; L373-V376 VanDerWaalsContact O-CG2 3.27Å; L373-V376 WeakPolarHBondContact O-CG2 3.36Å; T374-V376 PolarHBondContact O-N 3.23Å; T374-V376 VanDerWaalsContact O-N 3.17Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 2.96Å; V376-D379 WeakPolarHBondContact O-CB 3.4Å; V376-D379 PolarHBondContact O-N 3.38Å; V376-L380 PolarHBondContact O-N 3.16Å; V376-M392 HydrophobicContact CG2-CE 4.14Å
377	F	93.6	Very high	93.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-34.8	-170.9	-169.7	-127.4	0	0	0	112.3	T374 D379 L380 F381 I389 M392 L406 V409 F455	T374-F377 WeakPolarHBondContact O-CB 3.5Å; T374-F377 PolarHBondContact O-N 2.83Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 3.5Å; F377-L380 HydrophobicContact CD2-CD1 4.3Å; F377-L380 PolarHBondContact O-N 2.82Å; F377-F381 HydrophobicContact CD1-CD2 4.15Å; F377-F381 AromaticContact CD1-CE2 3.54Å; F377-F381 HydrophobicContact CD1-CE2 3.54Å; F377-F381 HydrophobicContact CD1-CZ 4.42Å; F377-F381 HydrophobicContact CE1-CD2 4.13Å; F377-F381 AromaticContact CE1-CE2 3.14Å; F377-F381 HydrophobicContact CE1-CE2 3.14Å; F377-F381 AromaticContact CE1-CZ 3.6Å; F377-F381 HydrophobicContact CE1-CZ 3.6Å; F377-F381 HydrophobicContact CE2-CE2 4.26Å; F377-F381 HydrophobicContact CE2-CZ 4.48Å; F377-F381 HydrophobicContact CG-CE2 4.26Å; F377-F381 HydrophobicContact CZ-CD2 4.45Å; F377-F381 AromaticContact CZ-CE2 3.55Å; F377-F381 HydrophobicContact CZ-CE2 3.55Å; F377-F381 AromaticContact CZ-CZ 3.63Å; F377-F381 HydrophobicContact CZ-CZ 3.63Å; F377-F381 WeakPolarHBondContact O-CD2 3.16Å; F377-F381 PolarHBondContact O-N 3.06Å; F377-I389 HydrophobicContact CE2-CB 4.43Å; F377-I389 HydrophobicContact CE2-CG1 4.4Å; F377-I389 HydrophobicContact CE2-CG2 3.95Å; F377-I389 HydrophobicContact CZ-CG2 4.15Å; F377-M392 HydrophobicContact CD2-CB 4.2Å; F377-M392 HydrophobicContact CD2-CG 3.69Å; F377-M392 HydrophobicContact CE2-CB 4.08Å; F377-M392 HydrophobicContact CE2-CG 3.89Å; F377-L406 HydrophobicContact CB-CD2 4.15Å; F377-L406 HydrophobicContact CD1-CB 4.21Å; F377-L406 HydrophobicContact CD1-CD2 3.36Å; F377-L406 HydrophobicContact CD1-CG 4.36Å; F377-L406 HydrophobicContact CD2-CD2 3.8Å; F377-L406 HydrophobicContact CE1-CB 3.69Å; F377-L406 HydrophobicContact CE1-CD2 3.5Å; F377-L406 VanDerWaalsContact CE1-CD2 3.5Å; F377-L406 HydrophobicContact CE1-CG 4.12Å; F377-L406 HydrophobicContact CE2-CD2 3.94Å; F377-L406 HydrophobicContact CG-CD2 3.51Å; F377-L406 HydrophobicContact CZ-CB 4.2Å; F377-L406 HydrophobicContact CZ-CD2 3.79Å; F377-L406 HydrophobicContact CZ-CG 4.4Å; F377-V409 HydrophobicContact CB-CG1 4.48Å; F377-V409 HydrophobicContact CD1-CB 3.86Å; F377-V409 HydrophobicContact CD1-CG1 3.68Å; F377-V409 HydrophobicContact CE1-CB 4.49Å; F377-V409 HydrophobicContact CE1-CG1 4.45Å; F377-V409 HydrophobicContact CG-CG1 4.46Å; F377-F455 AromaticContact CZ-CE1 3.82Å; F377-F455 HydrophobicContact CZ-CE1 3.82Å; F377-F455 AromaticContact CZ-CZ 3.73Å; F377-F455 HydrophobicContact CZ-CZ 3.73Å
378	S	93.1	Very high	93.1	Very high	49 Å²	49	60.6 Å²	60.6	34%	0.343	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-37.8	173.2	-57.3	0	0	0	0	112.5	V376 F381 N382 V409	V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 2.96Å; S378-F381 PolarHBondContact O-N 2.91Å; S378-N382 PolarHBondContact O-N 3.03Å; S378-N382 VanDerWaalsContact O-N 3.07Å; S378-N382 PolarHBondContact O-ND2 2.82Å; S378-V409 VanDerWaalsContact OG-CG1 3.3Å; S378-V409 WeakPolarHBondContact OG-CG1 3.5Å
379	D	93.7	Very high	93.2	Very high	86 Å²	86	56.5 Å²	56.5	46%	0.46	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-40.7	179.9	-58.5	-33.6	0	0	0	110.6	V376 F377 F381 N382 E383	V376-D379 WeakPolarHBondContact O-CB 3.4Å; V376-D379 PolarHBondContact O-N 3.38Å; F377-D379 VanDerWaalsContact C-N 3.28Å; F377-D379 PolarHBondContact O-N 3.5Å; D379-F381 VanDerWaalsContact C-N 3.26Å; D379-F381 PolarHBondContact O-N 3.17Å; D379-N382 PolarHBondContact O-N 3.48Å; D379-E383 WeakPolarHBondContact O-CG 3.41Å; D379-E383 PolarHBondContact O-N 3.1Å
380	L	93.7	Very high	93.2	Very high	10 Å²	10	56 Å²	56	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-38.2	175.5	-61	-178	0	0	0	112.3	P328 V376 F377 D384 R385 D388 I389 M392	P328-L380 HydrophobicContact CG-CD2 4.01Å; V376-L380 PolarHBondContact O-N 3.16Å; F377-L380 HydrophobicContact CD2-CD1 4.3Å; F377-L380 PolarHBondContact O-N 2.82Å; L380-D384 PolarHBondContact O-N 3.48Å; L380-R385 HydrophobicContact CB-CB 4.45Å; L380-R385 HydrophobicContact CD2-CB 4.22Å; L380-R385 HydrophobicContact CD2-CG 4.46Å; L380-R385 PolarHBondContact O-N 2.94Å; L380-D388 HydrophobicContact CD1-CB 4.23Å; L380-D388 HydrophobicContact CD2-CB 4.14Å; L380-I389 HydrophobicContact CB-CG1 3.9Å; L380-M392 HydrophobicContact CD1-CE 4.07Å
381	F	90	Very high	93.2	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-42	172.6	-77.8	-66.2	0	0	0	112.7	F377 S378 D379 E383 D384 I389 V409 M410 H413 L450 F455	F377-F381 HydrophobicContact CD1-CD2 4.15Å; F377-F381 AromaticContact CD1-CE2 3.54Å; F377-F381 HydrophobicContact CD1-CE2 3.54Å; F377-F381 HydrophobicContact CD1-CZ 4.42Å; F377-F381 HydrophobicContact CE1-CD2 4.13Å; F377-F381 AromaticContact CE1-CE2 3.14Å; F377-F381 HydrophobicContact CE1-CE2 3.14Å; F377-F381 AromaticContact CE1-CZ 3.6Å; F377-F381 HydrophobicContact CE1-CZ 3.6Å; F377-F381 HydrophobicContact CE2-CE2 4.26Å; F377-F381 HydrophobicContact CE2-CZ 4.48Å; F377-F381 HydrophobicContact CG-CE2 4.26Å; F377-F381 HydrophobicContact CZ-CD2 4.45Å; F377-F381 AromaticContact CZ-CE2 3.55Å; F377-F381 HydrophobicContact CZ-CE2 3.55Å; F377-F381 AromaticContact CZ-CZ 3.63Å; F377-F381 HydrophobicContact CZ-CZ 3.63Å; F377-F381 WeakPolarHBondContact O-CD2 3.16Å; F377-F381 PolarHBondContact O-N 3.06Å; S378-F381 PolarHBondContact O-N 2.91Å; D379-F381 VanDerWaalsContact C-N 3.26Å; D379-F381 PolarHBondContact O-N 3.17Å; F381-E383 PolarHBondContact O-N 3.06Å; F381-D384 PolarHBondContact O-N 3.3Å; F381-I389 HydrophobicContact CD1-CD1 3.78Å; F381-I389 HydrophobicContact CE1-CD1 4.16Å; F381-I389 HydrophobicContact CE1-CG2 4.48Å; F381-I389 HydrophobicContact CG-CD1 4.34Å; F381-V409 HydrophobicContact CD2-CG1 4.05Å; F381-V409 HydrophobicContact CE2-CG1 3.98Å; F381-M410 HydrophobicContact CE1-CG 4.39Å; F381-M410 HydrophobicContact CE2-CB 4.18Å; F381-M410 HydrophobicContact CZ-CB 3.8Å; F381-M410 HydrophobicContact CZ-CG 3.85Å; F381-H413 WeakPolarHBondContact CB-CE1 3.46Å; F381-H413 WeakPolarHBondContact CB-ND1 3.43Å; F381-H413 HydrophobicContact CD2-CB 4.41Å; F381-L450 HydrophobicContact CD1-CD2 3.79Å; F381-L450 HydrophobicContact CE1-CD2 3.63Å; F381-F455 AromaticContact CE1-CE2 3.99Å; F381-F455 HydrophobicContact CE1-CE2 3.99Å; F381-F455 AromaticContact CE1-CZ 3.92Å; F381-F455 HydrophobicContact CE1-CZ 3.92Å; F381-F455 HydrophobicContact CZ-CE2 4.1Å; F381-F455 AromaticContact CZ-CZ 3.66Å; F381-F455 HydrophobicContact CZ-CZ 3.66Å
382	N	91.1	Very high	93.2	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	25%	0.245	S	C	.	.	H	α-helix	trans	-64.8	-30.9	179.7	-76.4	-38	0	0	0	113	S378 D379 H413 K417	S378-N382 PolarHBondContact O-N 3.03Å; S378-N382 VanDerWaalsContact O-N 3.07Å; S378-N382 PolarHBondContact O-ND2 2.82Å; D379-N382 PolarHBondContact O-N 3.48Å; N382-H413 PolarHBondContact OD1-CE1 3.41Å; N382-K417 VanDerWaalsContact OD1-CE 3.22Å; N382-K417 WeakPolarHBondContact OD1-CE 3.47Å; N382-K417 PolarHBondContact OD1-NZ 3.44Å
383	E	92.1	Very high	93.3	Very high	131 Å²	131	43 Å²	43	61%	0.612	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	5.2	178.4	-65.2	179.9	-177	0	0	113.6	D379 F381 R385	D379-E383 WeakPolarHBondContact O-CG 3.41Å; D379-E383 PolarHBondContact O-N 3.1Å; F381-E383 PolarHBondContact O-N 3.06Å; E383-R385 HydrophobicContact CB-CG 3.69Å; E383-R385 PolarHBondContact O-N 3.23Å
384	D	90.2	Very high	93.3	Very high	87 Å²	87	46.1 Å²	46.1	47%	0.465	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	37.2	-178.3	-70.2	-43.5	0	0	0	113.1	L380 F381 E386 K446	L380-D384 PolarHBondContact O-N 3.48Å; F381-D384 PolarHBondContact O-N 3.3Å; D384-E386 VanDerWaalsContact C-N 3.3Å; D384-E386 PolarHBondContact O-N 3.07Å; D384-K446 VanDerWaalsContact OD1-CE 3.28Å; D384-K446 WeakPolarHBondContact OD1-CE 3.38Å; D384-K446 IonicContact OD1-NZ 3.78Å; D384-K446 PolarHBondContact OD1-NZ 2.97Å; D384-K446 IonicContact OD2-NZ 2.86Å; D384-K446 PolarHBondContact OD2-NZ 3.1Å
385	R	92.4	Very high	93.3	Very high	118 Å²	118	46.5 Å²	46.5	45%	0.445	23%	0.231	S	C	.	.			trans	-81.6	63.7	-177.1	-64.1	-71.3	-65.1	-139.3	-2.9	112.4	L380 E383 E387 D388 I389	L380-R385 HydrophobicContact CB-CB 4.45Å; L380-R385 HydrophobicContact CD2-CB 4.22Å; L380-R385 HydrophobicContact CD2-CG 4.46Å; L380-R385 PolarHBondContact O-N 2.94Å; E383-R385 HydrophobicContact CB-CG 3.69Å; E383-R385 PolarHBondContact O-N 3.23Å; R385-E387 VanDerWaalsContact C-N 3.34Å; R385-E387 PolarHBondContact O-N 3.33Å; R385-D388 HydrophobicContact CB-CB 4.15Å; R385-D388 IonicContact CZ-OD2 3.66Å; R385-D388 VanDerWaalsContact CZ-OD2 3.24Å; R385-D388 IonicContact NE-OD2 3.26Å; R385-D388 PolarHBondContact NE-OD2 3.02Å; R385-D388 IonicContact NH2-OD2 3.44Å; R385-D388 PolarHBondContact NH2-OD2 3.01Å; R385-D388 PolarHBondContact O-N 2.97Å; R385-I389 WeakPolarHBondContact O-CG1 3.49Å; R385-I389 PolarHBondContact O-N 2.8Å
386	E	91.5	Very high	93.4	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-52.2	-41.8	-171.7	-68.8	-165.7	-154.5	0	0	115.1	D384 D388 I389 W390 L450 S453	D384-E386 VanDerWaalsContact C-N 3.3Å; D384-E386 PolarHBondContact O-N 3.07Å; E386-D388 VanDerWaalsContact C-N 3.34Å; E386-D388 PolarHBondContact O-N 2.94Å; E386-I389 WeakPolarHBondContact O-CB 3.33Å; E386-I389 PolarHBondContact O-N 2.93Å; E386-W390 PolarHBondContact O-N 2.83Å; E386-L450 HydrophobicContact CG-CD1 3.81Å; E386-S453 PolarHBondContact OE2-OG 3.47Å
387	E	92.7	Very high	93.2	Very high	89 Å²	89	42.5 Å²	42.5	42%	0.416	21%	0.207	S	C	.	.	H	α-helix	trans	-69.9	-33.5	-178.9	-170.4	60.4	-163.8	0	0	112.4	R264 R385 R391	R264-E387 IonicContact CZ-OE1 2.69Å; R264-E387 IonicContact CZ-OE2 2.78Å; R264-E387 VanDerWaalsContact CZ-OE2 3.31Å; R264-E387 IonicContact NH1-OE1 2.76Å; R264-E387 IonicContact NH1-OE2 3.93Å; R264-E387 PolarHBondContact NH1-OE2 3.38Å; R264-E387 IonicContact NH2-OE1 3.87Å; R264-E387 PolarHBondContact NH2-OE1 2.75Å; R264-E387 IonicContact NH2-OE2 2.76Å; R264-E387 PolarHBondContact NH2-OE2 3.35Å; R385-E387 VanDerWaalsContact C-N 3.34Å; R385-E387 PolarHBondContact O-N 3.33Å; E387-R391 PolarHBondContact O-N 3.04Å
388	D	94.7	Very high	93	Very high	8 Å²	8	47 Å²	47	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-75.1	-34.1	175.8	-60.8	-41.7	0	0	0	110.9	P328 L380 R385 E386 R391 M392	P328-D388 HydrophobicContact CB-CB 4.5Å; L380-D388 HydrophobicContact CD1-CB 4.23Å; L380-D388 HydrophobicContact CD2-CB 4.14Å; R385-D388 HydrophobicContact CB-CB 4.15Å; R385-D388 IonicContact CZ-OD2 3.66Å; R385-D388 VanDerWaalsContact CZ-OD2 3.24Å; R385-D388 IonicContact NE-OD2 3.26Å; R385-D388 PolarHBondContact NE-OD2 3.02Å; R385-D388 IonicContact NH2-OD2 3.44Å; R385-D388 PolarHBondContact NH2-OD2 3.01Å; R385-D388 PolarHBondContact O-N 2.97Å; E386-D388 VanDerWaalsContact C-N 3.34Å; E386-D388 PolarHBondContact O-N 2.94Å; D388-R391 PolarHBondContact O-N 2.93Å; D388-R391 IonicContact OD1-CZ 2.73Å; D388-R391 IonicContact OD1-NH1 3.19Å; D388-R391 PolarHBondContact OD1-NH1 3.3Å; D388-M392 WeakPolarHBondContact O-CB 3.35Å; D388-M392 PolarHBondContact O-N 3.4Å
389	I	95.4	Very high	92.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-48.1	170.8	-66	169	0	0	0	110.3	F377 L380 F381 R385 E386 R391 M392 Y393 L450 A454 F455	F377-I389 HydrophobicContact CE2-CB 4.43Å; F377-I389 HydrophobicContact CE2-CG1 4.4Å; F377-I389 HydrophobicContact CE2-CG2 3.95Å; F377-I389 HydrophobicContact CZ-CG2 4.15Å; L380-I389 HydrophobicContact CB-CG1 3.9Å; F381-I389 HydrophobicContact CD1-CD1 3.78Å; F381-I389 HydrophobicContact CE1-CD1 4.16Å; F381-I389 HydrophobicContact CE1-CG2 4.48Å; F381-I389 HydrophobicContact CG-CD1 4.34Å; R385-I389 WeakPolarHBondContact O-CG1 3.49Å; R385-I389 PolarHBondContact O-N 2.8Å; E386-I389 WeakPolarHBondContact O-CB 3.33Å; E386-I389 PolarHBondContact O-N 2.93Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 2.9Å; I389-M392 WeakPolarHBondContact O-CB 3.13Å; I389-M392 PolarHBondContact O-N 3.34Å; I389-Y393 WeakPolarHBondContact O-CB 3.38Å; I389-Y393 PolarHBondContact O-N 2.9Å; I389-L450 HydrophobicContact CD1-CD1 4.35Å; I389-A454 HydrophobicContact CB-CB 4.32Å; I389-A454 HydrophobicContact CG2-CB 3.8Å; I389-F455 HydrophobicContact CG2-CE1 3.77Å; I389-F455 HydrophobicContact CG2-CE2 3.79Å; I389-F455 HydrophobicContact CG2-CZ 3.22Å
390	W	95	Very high	92.8	Very high	20 Å²	20	47.3 Å²	47.3	8%	0.076	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.6	170.2	-113	0	0	0	111.9	R264 E386 Y393 R394 A456	R264-W390 HydrophobicContact CB-CH2 3.58Å; R264-W390 HydrophobicContact CB-CZ2 3.73Å; R264-W390 HydrophobicContact CB-CZ3 4.04Å; R264-W390 VanDerWaalsContact CD-CE2 3.46Å; R264-W390 HydrophobicContact CG-CH2 4.23Å; R264-W390 HydrophobicContact CG-CZ2 3.86Å; E386-W390 PolarHBondContact O-N 2.83Å; W390-Y393 AromaticContact CE3-CD1 3.79Å; W390-Y393 HydrophobicContact CE3-CD1 3.79Å; W390-Y393 HydrophobicContact CE3-CE1 4.31Å; W390-Y393 HydrophobicContact CH2-CE1 4.45Å; W390-Y393 AromaticContact CZ3-CD1 3.64Å; W390-Y393 HydrophobicContact CZ3-CD1 3.64Å; W390-Y393 AromaticContact CZ3-CE1 3.69Å; W390-Y393 HydrophobicContact CZ3-CE1 3.69Å; W390-Y393 PolarHBondContact O-N 2.97Å; W390-R394 HydrophobicContact CD2-CG 4Å; W390-R394 HydrophobicContact CE3-CG 4.34Å; W390-R394 HydrophobicContact CH2-CG 3.97Å; W390-R394 HydrophobicContact CZ2-CG 3.64Å; W390-R394 HydrophobicContact CZ3-CG 4.33Å; W390-R394 WeakPolarHBondContact O-CB 3.48Å; W390-R394 WeakPolarHBondContact O-CG 3.44Å; W390-R394 PolarHBondContact O-N 3.45Å; W390-A456 HydrophobicContact CH2-CB 4.05Å; W390-A456 HydrophobicContact CZ3-CB 3.77Å
391	R	95	Very high	92.6	Very high	20 Å²	20	49.2 Å²	49.2	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-44.2	177	-172.6	177	-54.8	95.2	10.4	112	L331 E335 E387 D388 I389 Y393 R394 L395	L331-R391 HydrophobicContact CB-CG 4.07Å; E335-R391 HydrophobicContact CG-CG 4.25Å; E335-R391 VanDerWaalsContact OE2-CD 3.26Å; E335-R391 WeakPolarHBondContact OE2-CD 3.31Å; E335-R391 IonicContact OE2-CZ 3.46Å; E335-R391 IonicContact OE2-NE 2.96Å; E335-R391 PolarHBondContact OE2-NE 3.46Å; E387-R391 PolarHBondContact O-N 3.04Å; D388-R391 PolarHBondContact O-N 2.93Å; D388-R391 IonicContact OD1-CZ 2.73Å; D388-R391 IonicContact OD1-NH1 3.19Å; D388-R391 PolarHBondContact OD1-NH1 3.3Å; I389-R391 VanDerWaalsContact C-N 3.34Å; I389-R391 PolarHBondContact O-N 2.9Å; R391-Y393 PolarHBondContact O-N 3.12Å; R391-R394 PolarHBondContact O-N 3.32Å; R391-L395 HydrophobicContact CG-CD1 3.9Å; R391-L395 HydrophobicContact CG-CG 4.47Å; R391-L395 WeakPolarHBondContact O-CB 3.43Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 2.9Å
392	M	95	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-49.1	174.9	-175	71	73.2	0	0	110.6	V327 L331 L373 V376 F377 L380 D388 I389 L395 V396 L406	V327-M392 HydrophobicContact CG1-CE 3.74Å; L331-M392 HydrophobicContact CD1-CB 4.27Å; L331-M392 HydrophobicContact CD1-CE 3.61Å; L331-M392 HydrophobicContact CD1-SD 3.7Å; L373-M392 HydrophobicContact CB-SD 4.22Å; L373-M392 WeakPolarHBondContact O-CE 3.43Å; V376-M392 HydrophobicContact CG2-CE 4.14Å; F377-M392 HydrophobicContact CD2-CB 4.2Å; F377-M392 HydrophobicContact CD2-CG 3.69Å; F377-M392 HydrophobicContact CE2-CB 4.08Å; F377-M392 HydrophobicContact CE2-CG 3.89Å; L380-M392 HydrophobicContact CD1-CE 4.07Å; D388-M392 WeakPolarHBondContact O-CB 3.35Å; D388-M392 PolarHBondContact O-N 3.4Å; I389-M392 WeakPolarHBondContact O-CB 3.13Å; I389-M392 PolarHBondContact O-N 3.34Å; M392-L395 PolarHBondContact O-N 2.81Å; M392-V396 HydrophobicContact CG-CG2 4.41Å; M392-V396 WeakPolarHBondContact O-CA 3.26Å; M392-V396 VanDerWaalsContact O-CB 3.23Å; M392-V396 WeakPolarHBondContact O-CB 3.2Å; M392-V396 PolarHBondContact O-N 2.73Å; M392-V396 HydrophobicContact SD-CB 4.21Å; M392-V396 HydrophobicContact SD-CG2 3.51Å; M392-V396 VanDerWaalsContact SD-CG2 3.51Å; M392-L406 HydrophobicContact CG-CD1 4.39Å; M392-L406 HydrophobicContact CG-CD2 3.84Å
393	Y	95.4	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-49.3	176.9	166.2	-114.2	0	0	0	112	L267 I389 W390 R391 L395 G397 I403 F455 A456 D458 F461	L267-Y393 HydrophobicContact CD1-CD2 4.13Å; L267-Y393 HydrophobicContact CD1-CE1 4.01Å; L267-Y393 HydrophobicContact CD1-CE2 3.52Å; L267-Y393 VanDerWaalsContact CD1-CZ 3.46Å; L267-Y393 HydrophobicContact CG-CE1 4Å; L267-Y393 HydrophobicContact CG-CE2 4.26Å; L267-Y393 WeakPolarHBondContact CG-OH 3.39Å; I389-Y393 WeakPolarHBondContact O-CB 3.38Å; I389-Y393 PolarHBondContact O-N 2.9Å; W390-Y393 AromaticContact CE3-CD1 3.79Å; W390-Y393 HydrophobicContact CE3-CD1 3.79Å; W390-Y393 HydrophobicContact CE3-CE1 4.31Å; W390-Y393 HydrophobicContact CH2-CE1 4.45Å; W390-Y393 AromaticContact CZ3-CD1 3.64Å; W390-Y393 HydrophobicContact CZ3-CD1 3.64Å; W390-Y393 AromaticContact CZ3-CE1 3.69Å; W390-Y393 HydrophobicContact CZ3-CE1 3.69Å; W390-Y393 PolarHBondContact O-N 2.97Å; R391-Y393 PolarHBondContact O-N 3.12Å; Y393-L395 VanDerWaalsContact C-N 3.32Å; Y393-L395 PolarHBondContact O-N 3.01Å; Y393-G397 WeakPolarHBondContact O-CA 3.27Å; Y393-G397 PolarHBondContact O-N 3.16Å; Y393-I403 HydrophobicContact CD2-CD1 4.3Å; Y393-I403 HydrophobicContact CE2-CD1 4.1Å; Y393-F455 HydrophobicContact CD1-CD1 4.33Å; Y393-F455 AromaticContact CD2-CD1 3.91Å; Y393-F455 HydrophobicContact CD2-CD1 3.91Å; Y393-F455 AromaticContact CG-CD1 3.74Å; Y393-F455 HydrophobicContact CG-CD1 3.74Å; Y393-F455 HydrophobicContact CG-CE1 4.37Å; Y393-A456 HydrophobicContact CE1-CB 4.42Å; Y393-D458 HydrophobicContact CE2-CB 4.37Å; Y393-D458 WeakPolarHBondContact OH-CB 3.23Å; Y393-D458 PolarHBondContact OH-OD2 3.29Å; Y393-F461 HydrophobicContact CD2-CD2 4.49Å; Y393-F461 AromaticContact CD2-CE2 3.55Å; Y393-F461 HydrophobicContact CD2-CE2 3.55Å; Y393-F461 AromaticContact CD2-CZ 3.95Å; Y393-F461 HydrophobicContact CD2-CZ 3.95Å; Y393-F461 HydrophobicContact CE2-CD2 4.28Å; Y393-F461 AromaticContact CE2-CE2 3.6Å; Y393-F461 HydrophobicContact CE2-CE2 3.6Å; Y393-F461 HydrophobicContact CE2-CZ 4.45Å
394	R	94.2	Very high	93	Very high	67 Å²	67	49.1 Å²	49.1	25%	0.253	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-39.2	179.2	-80.7	-175.7	74.3	-166.4	20.9	113.3	E335 W390 R391 H398	E335-R394 IonicContact OE1-NH1 3.22Å; E335-R394 PolarHBondContact OE1-NH1 3.27Å; W390-R394 HydrophobicContact CD2-CG 4Å; W390-R394 HydrophobicContact CE3-CG 4.34Å; W390-R394 HydrophobicContact CH2-CG 3.97Å; W390-R394 HydrophobicContact CZ2-CG 3.64Å; W390-R394 HydrophobicContact CZ3-CG 4.33Å; W390-R394 WeakPolarHBondContact O-CB 3.48Å; W390-R394 WeakPolarHBondContact O-CG 3.44Å; W390-R394 PolarHBondContact O-N 3.45Å; R391-R394 PolarHBondContact O-N 3.32Å; R394-H398 PolarHBondContact O-CE1 3.38Å; R394-H398 PolarHBondContact O-ND1 2.85Å
395	L	94.2	Very high	93.2	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-87.9	-50.7	-175.1	-68.1	177.8	0	0	0	111.8	L331 V334 E335 L338 I366 R391 M392 Y393	L331-L395 HydrophobicContact CB-CD1 3.99Å; L331-L395 HydrophobicContact CD2-CD1 3.79Å; L331-L395 HydrophobicContact CG-CD1 4.39Å; V334-L395 HydrophobicContact CB-CD1 4.42Å; V334-L395 HydrophobicContact CG1-CD1 4.22Å; V334-L395 HydrophobicContact CG1-CD2 4.5Å; E335-L395 HydrophobicContact CG-CD1 3.84Å; E335-L395 HydrophobicContact CG-CD2 4.14Å; E335-L395 HydrophobicContact CG-CG 4.31Å; L338-L395 HydrophobicContact CD1-CD2 4.07Å; I366-L395 HydrophobicContact CD1-CB 3.94Å; I366-L395 HydrophobicContact CD1-CD2 4.16Å; R391-L395 HydrophobicContact CG-CD1 3.9Å; R391-L395 HydrophobicContact CG-CG 4.47Å; R391-L395 WeakPolarHBondContact O-CB 3.43Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 2.9Å; M392-L395 PolarHBondContact O-N 2.81Å; Y393-L395 VanDerWaalsContact C-N 3.32Å; Y393-L395 PolarHBondContact O-N 3.01Å
396	V	94.3	Very high	93.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-82	-26.2	-175.1	178.7	0	0	0	0	111.8	I366 L373 T374 M392 H398 F399 L406	I366-V396 HydrophobicContact CG2-CG2 3.96Å; L373-V396 HydrophobicContact CB-CG2 4.25Å; L373-V396 HydrophobicContact CD1-CG2 4.09Å; T374-V396 HydrophobicContact CG2-CG1 3.82Å; M392-V396 HydrophobicContact CG-CG2 4.41Å; M392-V396 WeakPolarHBondContact O-CA 3.26Å; M392-V396 VanDerWaalsContact O-CB 3.23Å; M392-V396 WeakPolarHBondContact O-CB 3.2Å; M392-V396 PolarHBondContact O-N 2.73Å; M392-V396 HydrophobicContact SD-CB 4.21Å; M392-V396 HydrophobicContact SD-CG2 3.51Å; M392-V396 VanDerWaalsContact SD-CG2 3.51Å; V396-H398 PolarHBondContact O-N 3.1Å; V396-F399 WeakPolarHBondContact O-CB 3.06Å; V396-F399 PolarHBondContact O-N 3.23Å; V396-L406 HydrophobicContact CB-CD1 4.32Å; V396-L406 HydrophobicContact CG1-CD1 4.32Å
397	G	90.3	Very high	93.7	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.1	-179.6	0	0	0	0	0	114.7	Y393 F399	Y393-G397 WeakPolarHBondContact O-CA 3.27Å; Y393-G397 PolarHBondContact O-N 3.16Å; G397-F399 PolarHBondContact O-N 2.98Å
398	H	88.1	Confident	93.9	Very high	93 Å²	93	36.9 Å²	36.9	43%	0.431	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.4	171.9	-70.3	95.4	0	0	0	113	R394 V396	R394-H398 PolarHBondContact O-CE1 3.38Å; R394-H398 PolarHBondContact O-ND1 2.85Å; V396-H398 PolarHBondContact O-N 3.1Å
399	F	92.3	Very high	93.9	Very high	35 Å²	35	37.6 Å²	37.6	15%	0.154	20%	0.195	C	C	.	.	S	Bend	trans	-93.8	125.2	179.8	-65.2	-92.8	0	0	0	110.5	E362 I366 I370 V396 G397 S401 G402 I403	E362-F399 HydrophobicContact CB-CZ 4.09Å; E362-F399 WeakPolarHBondContact O-CZ 3.46Å; I366-F399 HydrophobicContact CB-CD2 4.48Å; I366-F399 HydrophobicContact CB-CE2 3.62Å; I366-F399 HydrophobicContact CB-CZ 3.95Å; I366-F399 HydrophobicContact CD1-CE2 4.19Å; I366-F399 HydrophobicContact CG2-CD2 3.79Å; I366-F399 HydrophobicContact CG2-CE2 3.4Å; I366-F399 HydrophobicContact CG2-CZ 4.14Å; I370-F399 HydrophobicContact CD1-CB 3.55Å; I370-F399 HydrophobicContact CD1-CD1 3.66Å; I370-F399 HydrophobicContact CD1-CD2 4.34Å; I370-F399 HydrophobicContact CD1-CE1 4.45Å; I370-F399 HydrophobicContact CD1-CG 3.58Å; I370-F399 HydrophobicContact CG1-CG 4.44Å; V396-F399 WeakPolarHBondContact O-CB 3.06Å; V396-F399 PolarHBondContact O-N 3.23Å; G397-F399 PolarHBondContact O-N 2.98Å; F399-S401 PolarHBondContact O-N 3.42Å; F399-G402 WeakPolarHBondContact O-CA 3.38Å; F399-G402 PolarHBondContact O-N 2.88Å; F399-I403 PolarHBondContact O-N 3.4Å
400	P	90.4	Very high	93.9	Very high	107 Å²	107	37.6 Å²	37.6	70%	0.695	20%	0.195	S	C	*	.	H	α-helix	trans	-57	-33.8	179.5	-28	35.2	0	0	0	114.5	I403 R404	P400-I403 WeakPolarHBondContact O-CG2 3.39Å; P400-R404 WeakPolarHBondContact O-CB 3.42Å; P400-R404 PolarHBondContact O-N 2.96Å
401	S	90	Very high	94	Very high	50 Å²	50	38.8 Å²	38.8	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-70.7	-42.9	173.3	47.6	0	0	0	0	111.6	I370 F399 R404 V405	I370-S401 WeakPolarHBondContact CD1-OG 3.45Å; F399-S401 PolarHBondContact O-N 3.42Å; S401-R404 PolarHBondContact O-N 3.42Å; S401-V405 WeakPolarHBondContact O-CG2 3.25Å; S401-V405 PolarHBondContact O-N 3.34Å
402	G	92.9	Very high	94.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-57.1	178.7	0	0	0	0	0	112.1	F399 R404 V405 L406	F399-G402 WeakPolarHBondContact O-CA 3.38Å; F399-G402 PolarHBondContact O-N 2.88Å; G402-R404 PolarHBondContact O-N 3.06Å; G402-V405 PolarHBondContact O-N 3.19Å; G402-L406 WeakPolarHBondContact O-CG 3.28Å; G402-L406 PolarHBondContact O-N 2.99Å
403	I	94.2	Very high	94.2	Very high	35 Å²	35	41.5 Å²	41.5	18%	0.179	22%	0.216	C	C	.	.	H	α-helix	trans	-55.1	-39.7	-179.9	-169.7	65.1	0	0	0	112.2	Y393 F399 P400 V405 L406 V407 F461	Y393-I403 HydrophobicContact CD2-CD1 4.3Å; Y393-I403 HydrophobicContact CE2-CD1 4.1Å; F399-I403 PolarHBondContact O-N 3.4Å; P400-I403 WeakPolarHBondContact O-CG2 3.39Å; I403-V405 PolarHBondContact O-N 3.26Å; I403-L406 PolarHBondContact O-N 2.89Å; I403-V407 HydrophobicContact CD1-CG2 4.34Å; I403-V407 HydrophobicContact CG1-CG2 4.29Å; I403-V407 WeakPolarHBondContact O-CB 2.83Å; I403-V407 WeakPolarHBondContact O-CG2 3.29Å; I403-V407 PolarHBondContact O-N 3.43Å; I403-F461 HydrophobicContact CD1-CD2 4.43Å; I403-F461 HydrophobicContact CD1-CE2 3.42Å; I403-F461 VanDerWaalsContact CD1-CE2 3.42Å; I403-F461 HydrophobicContact CD1-CZ 3.9Å
404	R	95.1	Very high	94.2	Very high	179 Å²	179	41.5 Å²	41.5	68%	0.675	22%	0.217	S	C	*	.	H	α-helix	trans	-62.7	-41.9	178.3	-173.8	-179.2	67.3	-164.9	-0	112	P400 S401 G402 S408	P400-R404 WeakPolarHBondContact O-CB 3.42Å; P400-R404 PolarHBondContact O-N 2.96Å; S401-R404 PolarHBondContact O-N 3.42Å; G402-R404 PolarHBondContact O-N 3.06Å; R404-S408 WeakPolarHBondContact O-CB 3.48Å; R404-S408 PolarHBondContact O-N 2.9Å; R404-S408 VanDerWaalsContact O-N 3.11Å
405	V	95.1	Very high	94.4	Very high	46 Å²	46	38.5 Å²	38.5	28%	0.279	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-46.1	177.6	177.7	0	0	0	0	110.3	T374 S401 G402 I403 V407 S408 V409	T374-V405 HydrophobicContact CG2-CB 4.2Å; T374-V405 HydrophobicContact CG2-CG1 4.12Å; S401-V405 WeakPolarHBondContact O-CG2 3.25Å; S401-V405 PolarHBondContact O-N 3.34Å; G402-V405 PolarHBondContact O-N 3.19Å; I403-V405 PolarHBondContact O-N 3.26Å; V405-V407 VanDerWaalsContact C-N 3.33Å; V405-V407 PolarHBondContact O-N 3.19Å; V405-S408 WeakPolarHBondContact O-CB 3.24Å; V405-S408 PolarHBondContact O-N 2.71Å; V405-S408 VanDerWaalsContact O-N 3.16Å; V405-V409 HydrophobicContact CG1-CG2 4.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.23Å; V405-V409 PolarHBondContact O-N 3.49Å
406	L	96	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-44.2	178.9	-60.1	-178.2	0	0	0	111.9	T374 F377 M392 V396 G402 I403 V409 M410 F461	T374-L406 HydrophobicContact CG2-CD2 4.07Å; F377-L406 HydrophobicContact CB-CD2 4.15Å; F377-L406 HydrophobicContact CD1-CB 4.21Å; F377-L406 HydrophobicContact CD1-CD2 3.36Å; F377-L406 HydrophobicContact CD1-CG 4.36Å; F377-L406 HydrophobicContact CD2-CD2 3.8Å; F377-L406 HydrophobicContact CE1-CB 3.69Å; F377-L406 HydrophobicContact CE1-CD2 3.5Å; F377-L406 VanDerWaalsContact CE1-CD2 3.5Å; F377-L406 HydrophobicContact CE1-CG 4.12Å; F377-L406 HydrophobicContact CE2-CD2 3.94Å; F377-L406 HydrophobicContact CG-CD2 3.51Å; F377-L406 HydrophobicContact CZ-CB 4.2Å; F377-L406 HydrophobicContact CZ-CD2 3.79Å; F377-L406 HydrophobicContact CZ-CG 4.4Å; M392-L406 HydrophobicContact CG-CD1 4.39Å; M392-L406 HydrophobicContact CG-CD2 3.84Å; V396-L406 HydrophobicContact CB-CD1 4.32Å; V396-L406 HydrophobicContact CG1-CD1 4.32Å; G402-L406 WeakPolarHBondContact O-CG 3.28Å; G402-L406 PolarHBondContact O-N 2.99Å; I403-L406 PolarHBondContact O-N 2.89Å; L406-V409 PolarHBondContact O-N 3.45Å; L406-M410 WeakPolarHBondContact O-CB 3.36Å; L406-M410 PolarHBondContact O-N 3.28Å; L406-F461 HydrophobicContact CB-CE1 4.08Å; L406-F461 HydrophobicContact CB-CZ 3.79Å; L406-F461 HydrophobicContact CD1-CZ 4.5Å
407	V	96.9	Very high	94.6	Very high	27 Å²	27	46.1 Å²	46.1	16%	0.164	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-43.8	176.2	166.8	0	0	0	0	111.3	I403 V405 M410 E411 A460 F461 A464	I403-V407 HydrophobicContact CD1-CG2 4.34Å; I403-V407 HydrophobicContact CG1-CG2 4.29Å; I403-V407 WeakPolarHBondContact O-CB 2.83Å; I403-V407 WeakPolarHBondContact O-CG2 3.29Å; I403-V407 PolarHBondContact O-N 3.43Å; V405-V407 VanDerWaalsContact C-N 3.33Å; V405-V407 PolarHBondContact O-N 3.19Å; V407-M410 PolarHBondContact O-N 2.85Å; V407-E411 PolarHBondContact O-N 3.4Å; V407-A460 HydrophobicContact CG2-CB 3.74Å; V407-F461 HydrophobicContact CG2-CD1 4.45Å; V407-F461 HydrophobicContact CG2-CD2 4.3Å; V407-F461 HydrophobicContact CG2-CE1 4.23Å; V407-F461 HydrophobicContact CG2-CE2 4.13Å; V407-F461 HydrophobicContact CG2-CG 4.49Å; V407-F461 HydrophobicContact CG2-CZ 4.08Å; V407-A464 HydrophobicContact CG1-CB 3.99Å
408	S	96.5	Very high	94.9	Very high	60 Å²	60	45.6 Å²	45.6	42%	0.42	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-47.3	177.2	-169.3	0	0	0	0	111.8	R404 V405 M410 E411 D412	R404-S408 WeakPolarHBondContact O-CB 3.48Å; R404-S408 PolarHBondContact O-N 2.9Å; R404-S408 VanDerWaalsContact O-N 3.11Å; V405-S408 WeakPolarHBondContact O-CB 3.24Å; V405-S408 PolarHBondContact O-N 2.71Å; V405-S408 VanDerWaalsContact O-N 3.16Å; S408-M410 VanDerWaalsContact C-N 3.29Å; S408-M410 PolarHBondContact O-N 3.33Å; S408-E411 PolarHBondContact O-N 3.48Å; S408-D412 PolarHBondContact O-N 3.04Å
409	V	95.9	Very high	95.4	Very high	22 Å²	22	44.4 Å²	44.4	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-38.2	179.4	171.9	0	0	0	0	111	F377 S378 F381 V405 L406 D412 H413	F377-V409 HydrophobicContact CB-CG1 4.48Å; F377-V409 HydrophobicContact CD1-CB 3.86Å; F377-V409 HydrophobicContact CD1-CG1 3.68Å; F377-V409 HydrophobicContact CE1-CB 4.49Å; F377-V409 HydrophobicContact CE1-CG1 4.45Å; F377-V409 HydrophobicContact CG-CG1 4.46Å; S378-V409 VanDerWaalsContact OG-CG1 3.3Å; S378-V409 WeakPolarHBondContact OG-CG1 3.5Å; F381-V409 HydrophobicContact CD2-CG1 4.05Å; F381-V409 HydrophobicContact CE2-CG1 3.98Å; V405-V409 HydrophobicContact CG1-CG2 4.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.23Å; V405-V409 PolarHBondContact O-N 3.49Å; L406-V409 PolarHBondContact O-N 3.45Å; V409-D412 PolarHBondContact O-N 2.71Å; V409-H413 VanDerWaalsContact O-CB 3.23Å; V409-H413 WeakPolarHBondContact O-CB 3.39Å; V409-H413 PolarHBondContact O-N 2.97Å
410	M	95.3	Very high	95.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-43.8	176.2	-173.2	-124.1	175.6	0	0	112.2	F381 L406 V407 S408 D412 H413 V414 V451 F461 A464 L465	F381-M410 HydrophobicContact CE1-CG 4.39Å; F381-M410 HydrophobicContact CE2-CB 4.18Å; F381-M410 HydrophobicContact CZ-CB 3.8Å; F381-M410 HydrophobicContact CZ-CG 3.85Å; L406-M410 WeakPolarHBondContact O-CB 3.36Å; L406-M410 PolarHBondContact O-N 3.28Å; V407-M410 PolarHBondContact O-N 2.85Å; S408-M410 VanDerWaalsContact C-N 3.29Å; S408-M410 PolarHBondContact O-N 3.33Å; M410-D412 VanDerWaalsContact C-N 3.32Å; M410-D412 PolarHBondContact O-N 3.19Å; M410-H413 PolarHBondContact O-N 3.07Å; M410-V414 HydrophobicContact CE-CG2 4.06Å; M410-V414 VanDerWaalsContact O-CG2 3.27Å; M410-V414 WeakPolarHBondContact O-CG2 3.48Å; M410-V414 PolarHBondContact O-N 3.29Å; M410-V451 HydrophobicContact CE-CG2 3.16Å; M410-F461 HydrophobicContact CB-CD1 4.09Å; M410-F461 HydrophobicContact CB-CE1 4.28Å; M410-F461 WeakPolarHBondContact CE-O 3.48Å; M410-F461 HydrophobicContact CG-CD1 4.06Å; M410-F461 HydrophobicContact SD-CB 4.02Å; M410-F461 HydrophobicContact SD-CD1 3.7Å; M410-F461 HydrophobicContact SD-CG 4.34Å; M410-F461 VanDerWaalsContact SD-O 3.37Å; M410-A464 HydrophobicContact SD-CB 3.4Å; M410-A464 WeakPolarHBondContact SD-CB 3.37Å; M410-L465 HydrophobicContact CE-CB 3.84Å
411	E	97.2	Very high	95.9	Very high	45 Å²	45	42 Å²	42	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-46	174.9	-176.6	177.7	148.6	0	0	110.9	V407 S408 A415 A464 K467	V407-E411 PolarHBondContact O-N 3.4Å; S408-E411 PolarHBondContact O-N 3.48Å; E411-A415 PolarHBondContact O-N 3.02Å; E411-A464 HydrophobicContact CB-CB 4Å; E411-K467 HydrophobicContact CG-CB 3.89Å; E411-K467 WeakPolarHBondContact OE2-CD 3.27Å; E411-K467 IonicContact OE2-NZ 2.86Å
412	D	96.7	Very high	96.3	Very high	61 Å²	61	39.7 Å²	39.7	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-45.7	177	-72.9	-34.7	0	0	0	112	S408 V409 M410 V414 A415 D416 R471	S408-D412 PolarHBondContact O-N 3.04Å; V409-D412 PolarHBondContact O-N 2.71Å; M410-D412 VanDerWaalsContact C-N 3.32Å; M410-D412 PolarHBondContact O-N 3.19Å; D412-V414 PolarHBondContact O-N 3.24Å; D412-A415 PolarHBondContact O-N 2.92Å; D412-D416 WeakPolarHBondContact O-CB 3.49Å; D412-D416 PolarHBondContact O-N 2.86Å; D412-R471 IonicContact OD1-CZ 3.79Å; D412-R471 IonicContact OD1-NH1 2.77Å; D412-R471 PolarHBondContact OD1-NH1 3.05Å; D412-R471 IonicContact OD1-NH2 2.7Å; D412-R471 PolarHBondContact OD1-NH2 3.39Å
413	H	96.3	Very high	96.5	Very high	15 Å²	15	46.6 Å²	46.6	7%	0.069	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-47	179.7	-173.9	84.6	0	0	0	112.7	F381 N382 V409 M410 A415 D416 K417 H447	F381-H413 WeakPolarHBondContact CB-CE1 3.46Å; F381-H413 WeakPolarHBondContact CB-ND1 3.43Å; F381-H413 HydrophobicContact CD2-CB 4.41Å; N382-H413 PolarHBondContact OD1-CE1 3.41Å; V409-H413 VanDerWaalsContact O-CB 3.23Å; V409-H413 WeakPolarHBondContact O-CB 3.39Å; V409-H413 PolarHBondContact O-N 2.97Å; M410-H413 PolarHBondContact O-N 3.07Å; H413-A415 VanDerWaalsContact C-N 3.31Å; H413-A415 PolarHBondContact O-N 3.39Å; H413-D416 PolarHBondContact O-N 2.81Å; H413-K417 WeakPolarHBondContact CE1-CE 3.2Å; H413-K417 WeakPolarHBondContact NE2-CG 3.49Å; H413-K417 WeakPolarHBondContact O-CB 3.44Å; H413-K417 WeakPolarHBondContact O-CG 3.14Å; H413-K417 PolarHBondContact O-N 2.99Å; H413-H447 AromaticContact CD2-NE2 3.58Å; H413-H447 AromaticContact NE2-NE2 3.94Å
414	V	97.2	Very high	96.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-46.2	178.3	170.3	0	0	0	0	110.4	M410 D412 G418 H447 L465 F472	M410-V414 HydrophobicContact CE-CG2 4.06Å; M410-V414 VanDerWaalsContact O-CG2 3.27Å; M410-V414 WeakPolarHBondContact O-CG2 3.48Å; M410-V414 PolarHBondContact O-N 3.29Å; D412-V414 PolarHBondContact O-N 3.24Å; V414-G418 PolarHBondContact O-N 3.31Å; V414-H447 HydrophobicContact CG2-CB 4.1Å; V414-L465 HydrophobicContact CG1-CD1 3.99Å; V414-L465 HydrophobicContact CG2-CD1 4.16Å; V414-F472 HydrophobicContact CG1-CE1 4.48Å
415	A	97.6	Very high	96.6	Very high	3 Å²	3	45 Å²	45	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-40.7	-179	0	0	0	0	0	112.4	E411 D412 H413 G418 W419 R471 F472	E411-A415 PolarHBondContact O-N 3.02Å; D412-A415 PolarHBondContact O-N 2.92Å; H413-A415 VanDerWaalsContact C-N 3.31Å; H413-A415 PolarHBondContact O-N 3.39Å; A415-G418 PolarHBondContact O-N 2.78Å; A415-W419 VanDerWaalsContact O-CB 3.26Å; A415-W419 WeakPolarHBondContact O-CB 3.33Å; A415-W419 PolarHBondContact O-N 2.83Å; A415-R471 HydrophobicContact CB-CB 4.1Å; A415-R471 HydrophobicContact CB-CG 4.27Å; A415-F472 WeakPolarHBondContact O-CB 3.44Å
416	D	96.5	Very high	96.6	Very high	97 Å²	97	43.1 Å²	43.1	52%	0.519	21%	0.214	S	C	.	.	H	α-helix	trans	-70.3	-43.3	-178.8	-66.9	-4.3	0	0	0	111.2	D412 H413 W419 E420 R471	D412-D416 WeakPolarHBondContact O-CB 3.49Å; D412-D416 PolarHBondContact O-N 2.86Å; H413-D416 PolarHBondContact O-N 2.81Å; D416-W419 PolarHBondContact O-N 3.47Å; D416-E420 VanDerWaalsContact O-CB 3.32Å; D416-E420 WeakPolarHBondContact O-CB 3.49Å; D416-E420 PolarHBondContact O-N 2.88Å; D416-R471 IonicContact OD1-NH2 2.66Å; D416-R471 PolarHBondContact OD1-NH2 2.96Å
417	K	95.9	Very high	96.5	Very high	79 Å²	79	51.3 Å²	51.3	34%	0.343	25%	0.252	S	S	.	.	H	α-helix	trans	-65.8	-38.1	174.3	-68.6	-59.8	-179.6	-173.9	0	112.3	N382 H413 A421	N382-K417 VanDerWaalsContact OD1-CE 3.22Å; N382-K417 WeakPolarHBondContact OD1-CE 3.47Å; N382-K417 PolarHBondContact OD1-NZ 3.44Å; H413-K417 WeakPolarHBondContact CE1-CE 3.2Å; H413-K417 WeakPolarHBondContact NE2-CG 3.49Å; H413-K417 WeakPolarHBondContact O-CB 3.44Å; H413-K417 WeakPolarHBondContact O-CG 3.14Å; H413-K417 PolarHBondContact O-N 2.99Å; K417-A421 VanDerWaalsContact O-CB 3.3Å; K417-A421 WeakPolarHBondContact O-CB 3.38Å; K417-A421 PolarHBondContact O-N 2.87Å
418	G	97	Very high	96.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-43.7	174.8	0	0	0	0	0	112.6	V414 A415 I422	V414-G418 PolarHBondContact O-N 3.31Å; A415-G418 PolarHBondContact O-N 2.78Å; G418-I422 WeakPolarHBondContact O-CG1 3.23Å; G418-I422 PolarHBondContact O-N 2.82Å; G418-I422 VanDerWaalsContact O-N 3.14Å
419	W	97.3	Very high	96.2	Very high	69 Å²	69	50 Å²	50	26%	0.261	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-46.5	175.7	-173	102.5	0	0	0	111.3	A415 D416 I422 R423 F472 A477	A415-W419 VanDerWaalsContact O-CB 3.26Å; A415-W419 WeakPolarHBondContact O-CB 3.33Å; A415-W419 PolarHBondContact O-N 2.83Å; D416-W419 PolarHBondContact O-N 3.47Å; W419-I422 PolarHBondContact O-N 2.96Å; W419-R423 HydrophobicContact CE3-CB 4.19Å; W419-R423 HydrophobicContact CH2-CB 4.3Å; W419-R423 HydrophobicContact CH2-CG 3.87Å; W419-R423 HydrophobicContact CZ3-CB 3.99Å; W419-R423 VanDerWaalsContact CZ3-CD 3.43Å; W419-R423 HydrophobicContact CZ3-CG 3.91Å; W419-R423 WeakPolarHBondContact O-CB 3.47Å; W419-R423 PolarHBondContact O-N 3.29Å; W419-F472 HydrophobicContact CB-CB 4.45Å; W419-A477 HydrophobicContact CZ2-CB 4.43Å
420	E	97.1	Very high	96	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-41.2	179.3	-178.9	54.8	-147.4	0	0	112.2	D416 I422 R423 Q424	D416-E420 VanDerWaalsContact O-CB 3.32Å; D416-E420 WeakPolarHBondContact O-CB 3.49Å; D416-E420 PolarHBondContact O-N 2.88Å; E420-I422 VanDerWaalsContact C-N 3.33Å; E420-I422 PolarHBondContact O-N 2.96Å; E420-R423 WeakPolarHBondContact O-CB 3.44Å; E420-R423 PolarHBondContact O-N 3.31Å; E420-R423 IonicContact OE2-NH1 3.71Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.44Å; E420-Q424 VanDerWaalsContact O-N 3.1Å; E420-Q424 PolarHBondContact OE1-NE2 3.48Å
421	A	97.5	Very high	95.7	Very high	22 Å²	22	57.1 Å²	57.1	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-42.4	175.6	0	0	0	0	0	112	K417 T439 V443	K417-A421 VanDerWaalsContact O-CB 3.3Å; K417-A421 WeakPolarHBondContact O-CB 3.38Å; K417-A421 PolarHBondContact O-N 2.87Å; A421-T439 HydrophobicContact CB-CG2 3.95Å; A421-V443 HydrophobicContact CB-CG2 3.55Å
422	I	97.7	Very high	95.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-39.2	175.4	-67.6	176.2	0	0	0	110.9	G418 W419 E420 Q424 V425 A426 Y436 T439 I440 F472 N476 V478	G418-I422 WeakPolarHBondContact O-CG1 3.23Å; G418-I422 PolarHBondContact O-N 2.82Å; G418-I422 VanDerWaalsContact O-N 3.14Å; W419-I422 PolarHBondContact O-N 2.96Å; E420-I422 VanDerWaalsContact C-N 3.33Å; E420-I422 PolarHBondContact O-N 2.96Å; I422-Q424 VanDerWaalsContact C-N 3.27Å; I422-Q424 PolarHBondContact O-N 2.95Å; I422-V425 CarbonylContact O-C 3.46Å; I422-V425 WeakPolarHBondContact O-CG2 3.34Å; I422-V425 PolarHBondContact O-N 2.94Å; I422-V425 VanDerWaalsContact O-N 3.09Å; I422-A426 WeakPolarHBondContact O-CA 3.38Å; I422-A426 WeakPolarHBondContact O-CB 3.48Å; I422-A426 PolarHBondContact O-N 3.31Å; I422-Y436 HydrophobicContact CD1-CE2 3.96Å; I422-Y436 HydrophobicContact CG1-CE2 4.4Å; I422-Y436 HydrophobicContact CG2-CD2 4.46Å; I422-Y436 HydrophobicContact CG2-CE2 3.97Å; I422-T439 HydrophobicContact CG1-CG2 4.35Å; I422-I440 HydrophobicContact CD1-CG1 4.04Å; I422-F472 HydrophobicContact CD1-CD2 3.7Å; I422-F472 HydrophobicContact CD1-CE2 3.88Å; I422-N476 HydrophobicContact CB-CB 4.26Å; I422-N476 HydrophobicContact CD1-CB 3.85Å; I422-N476 HydrophobicContact CG2-CB 3.92Å; I422-V478 HydrophobicContact CG2-CB 4.23Å; I422-V478 HydrophobicContact CG2-CG2 3.62Å
423	R	97	Very high	95.4	Very high	145 Å²	145	56.6 Å²	56.6	55%	0.547	29%	0.285	S	S	.	.	H	α-helix	trans	-55.8	-43	178.8	-167.6	-155.6	-168.2	151	-0.4	111.8	W419 E420 V425 A426 A477	W419-R423 HydrophobicContact CE3-CB 4.19Å; W419-R423 HydrophobicContact CH2-CB 4.3Å; W419-R423 HydrophobicContact CH2-CG 3.87Å; W419-R423 HydrophobicContact CZ3-CB 3.99Å; W419-R423 VanDerWaalsContact CZ3-CD 3.43Å; W419-R423 HydrophobicContact CZ3-CG 3.91Å; W419-R423 WeakPolarHBondContact O-CB 3.47Å; W419-R423 PolarHBondContact O-N 3.29Å; E420-R423 WeakPolarHBondContact O-CB 3.44Å; E420-R423 PolarHBondContact O-N 3.31Å; E420-R423 IonicContact OE2-NH1 3.71Å; R423-V425 PolarHBondContact O-N 3.41Å; R423-A426 WeakPolarHBondContact O-CB 3.26Å; R423-A426 PolarHBondContact O-N 2.96Å; R423-A477 HydrophobicContact CB-CB 4.07Å; R423-A477 HydrophobicContact CG-CB 4.14Å
424	Q	96.3	Very high	95.3	Very high	143 Å²	143	60.8 Å²	60.8	67%	0.668	30%	0.303	S	S	*	.	H	α-helix	trans	-62.5	-23.2	-179.7	-71.1	173.4	12.6	0	0	113.7	E420 I422	E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.44Å; E420-Q424 VanDerWaalsContact O-N 3.1Å; E420-Q424 PolarHBondContact OE1-NE2 3.48Å; I422-Q424 VanDerWaalsContact C-N 3.27Å; I422-Q424 PolarHBondContact O-N 2.95Å
425	V	96.4	Very high	95.3	Very high	37 Å²	37	63.4 Å²	63.4	22%	0.224	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	8	-178.5	-60.4	0	0	0	0	113.2	I422 R423 E427 A428 A429 L435 T439	I422-V425 CarbonylContact O-C 3.46Å; I422-V425 WeakPolarHBondContact O-CG2 3.34Å; I422-V425 PolarHBondContact O-N 2.94Å; I422-V425 VanDerWaalsContact O-N 3.09Å; R423-V425 PolarHBondContact O-N 3.41Å; V425-E427 PolarHBondContact O-N 3.38Å; V425-A428 PolarHBondContact O-N 3.11Å; V425-A429 HydrophobicContact CB-CB 4.45Å; V425-A429 HydrophobicContact CG2-CB 4.04Å; V425-A429 WeakPolarHBondContact O-CB 3.34Å; V425-A429 PolarHBondContact O-N 2.95Å; V425-L435 HydrophobicContact CB-CD2 4.09Å; V425-L435 HydrophobicContact CB-CG 4.27Å; V425-L435 HydrophobicContact CG1-CD1 4.32Å; V425-T439 HydrophobicContact CG2-CG2 4.22Å
426	A	94.5	Very high	95.3	Very high	8 Å²	8	63.3 Å²	63.3	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-41.4	-161.4	0	0	0	0	0	114.2	I422 R423 L430 A477 V478 L481	I422-A426 WeakPolarHBondContact O-CA 3.38Å; I422-A426 WeakPolarHBondContact O-CB 3.48Å; I422-A426 PolarHBondContact O-N 3.31Å; R423-A426 WeakPolarHBondContact O-CB 3.26Å; R423-A426 PolarHBondContact O-N 2.96Å; A426-L430 PolarHBondContact O-N 3.43Å; A426-L430 VanDerWaalsContact O-N 3.09Å; A426-A477 HydrophobicContact CB-CB 3.78Å; A426-V478 HydrophobicContact CB-CG2 4.02Å; A426-L481 HydrophobicContact CB-CD1 3.65Å
427	E	93	Very high	95.3	Very high	171 Å²	171	58.7 Å²	58.7	80%	0.799	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-43.6	-179.4	-65.4	-174.2	170	0	0	112.4	V425	V425-E427 PolarHBondContact O-N 3.38Å
428	A	94	Very high	95.2	Very high	59 Å²	59	58 Å²	58	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-73.1	-44.8	177.6	0	0	0	0	0	111.5	V425 L430 N431 D432 L435	V425-A428 PolarHBondContact O-N 3.11Å; A428-L430 PolarHBondContact O-N 3.04Å; A428-N431 PolarHBondContact O-N 3.14Å; A428-D432 WeakPolarHBondContact O-CB 3.44Å; A428-D432 PolarHBondContact O-N 3.41Å; A428-D432 VanDerWaalsContact O-N 3.1Å; A428-L435 HydrophobicContact CB-CD2 3.75Å
429	A	94.1	Very high	95.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-19.5	-177.8	0	0	0	0	0	113.5	V425 N431 D432 L435 Y436 V478	V425-A429 HydrophobicContact CB-CB 4.45Å; V425-A429 HydrophobicContact CG2-CB 4.04Å; V425-A429 WeakPolarHBondContact O-CB 3.34Å; V425-A429 PolarHBondContact O-N 2.95Å; A429-N431 PolarHBondContact O-N 2.97Å; A429-D432 PolarHBondContact O-N 3.31Å; A429-L435 HydrophobicContact CB-CD2 4.43Å; A429-L435 HydrophobicContact CB-CG 4.47Å; A429-Y436 HydrophobicContact CB-CD2 4.14Å; A429-V478 HydrophobicContact CB-CG2 4.04Å
430	L	91.3	Very high	95.3	Very high	43 Å²	43	55.7 Å²	55.7	23%	0.225	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.8	175.4	-175.1	65.5	0	0	0	112.7	A426 A428 V478 A482 K487	A426-L430 PolarHBondContact O-N 3.43Å; A426-L430 VanDerWaalsContact O-N 3.09Å; A428-L430 PolarHBondContact O-N 3.04Å; L430-V478 HydrophobicContact CD1-CG1 4.15Å; L430-A482 HydrophobicContact CD1-CB 3.92Å; L430-K487 VanDerWaalsContact O-CE 3.29Å; L430-K487 WeakPolarHBondContact O-CE 3.34Å
431	N	89.1	Confident	95.2	Very high	132 Å²	132	53.3 Å²	53.3	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-1.2	-179.3	-64.4	-45.6	0	0	0	113.7	A428 A429 P433	A428-N431 PolarHBondContact O-N 3.14Å; A429-N431 PolarHBondContact O-N 2.97Å; N431-P433 WeakPolarHBondContact O-CD 3.5Å
432	D	94.2	Very high	95.2	Very high	68 Å²	68	60.1 Å²	60.1	36%	0.364	30%	0.3	S	S	.	.			trans	-112.1	93.9	174.4	-171.7	-17.5	0	0	0	111	A428 A429 K434 L435 Y436	A428-D432 WeakPolarHBondContact O-CB 3.44Å; A428-D432 PolarHBondContact O-N 3.41Å; A428-D432 VanDerWaalsContact O-N 3.1Å; A429-D432 PolarHBondContact O-N 3.31Å; D432-K434 PolarHBondContact O-N 3.31Å; D432-K434 PolarHBondContact OD1-N 2.89Å; D432-L435 HydrophobicContact CB-CB 3.98Å; D432-L435 PolarHBondContact O-N 3.11Å; D432-L435 PolarHBondContact OD1-N 3.4Å; D432-L435 VanDerWaalsContact OD1-N 3.08Å; D432-Y436 PolarHBondContact O-N 3.11Å; D432-Y436 VanDerWaalsContact O-N 3.16Å
433	P	94.4	Very high	95.1	Very high	26 Å²	26	60.8 Å²	60.8	17%	0.169	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-31.6	178.1	-23.1	33.1	0	0	0	113.7	N431 I437 L491 K494	N431-P433 WeakPolarHBondContact O-CD 3.5Å; P433-I437 WeakPolarHBondContact O-CG1 3.44Å; P433-I437 PolarHBondContact O-N 3.16Å; P433-L491 HydrophobicContact CB-CD2 4.37Å; P433-L491 HydrophobicContact CG-CD2 4.03Å; P433-K494 HydrophobicContact CB-CB 4.12Å; P433-K494 HydrophobicContact CG-CB 3.7Å; P433-K494 HydrophobicContact CG-CD 4.32Å
434	K	93.7	Very high	95.1	Very high	104 Å²	104	54.7 Å²	54.7	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-70.9	-50.6	-177.7	175.5	169.8	-178.2	-179.4	0	110	D432 Y436 I437 D438 Y495	D432-K434 PolarHBondContact O-N 3.31Å; D432-K434 PolarHBondContact OD1-N 2.89Å; K434-Y436 PolarHBondContact O-N 3.07Å; K434-I437 PolarHBondContact O-N 3.18Å; K434-D438 WeakPolarHBondContact CE-OD2 3.42Å; K434-D438 WeakPolarHBondContact CG-OD2 3.18Å; K434-D438 WeakPolarHBondContact O-CB 3.17Å; K434-D438 VanDerWaalsContact O-CG 3.22Å; K434-D438 PolarHBondContact O-N 3.47Å; K434-Y495 HydrophobicContact CB-CD2 3.99Å; K434-Y495 HydrophobicContact CB-CE2 3.84Å; K434-Y495 HydrophobicContact CD-CE2 4.48Å; K434-Y495 HydrophobicContact CG-CD2 4.48Å; K434-Y495 HydrophobicContact CG-CE2 3.83Å
435	L	96.4	Very high	95	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-55.6	-41.7	175.7	179.3	60.6	0	0	0	111.7	V425 A428 A429 D432 T439	V425-L435 HydrophobicContact CB-CD2 4.09Å; V425-L435 HydrophobicContact CB-CG 4.27Å; V425-L435 HydrophobicContact CG1-CD1 4.32Å; A428-L435 HydrophobicContact CB-CD2 3.75Å; A429-L435 HydrophobicContact CB-CD2 4.43Å; A429-L435 HydrophobicContact CB-CG 4.47Å; D432-L435 HydrophobicContact CB-CB 3.98Å; D432-L435 PolarHBondContact O-N 3.11Å; D432-L435 PolarHBondContact OD1-N 3.4Å; D432-L435 VanDerWaalsContact OD1-N 3.08Å; L435-T439 WeakPolarHBondContact O-CB 3.31Å; L435-T439 PolarHBondContact O-N 2.93Å; L435-T439 VanDerWaalsContact O-N 3.13Å; L435-T439 PolarHBondContact O-OG1 3.24Å
436	Y	97.2	Very high	94.9	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-51.7	177.8	-173.7	-112.4	0	0	0	112.7	I422 A429 D432 K434 T439 I440 N476 V478 S488 L491	I422-Y436 HydrophobicContact CD1-CE2 3.96Å; I422-Y436 HydrophobicContact CG1-CE2 4.4Å; I422-Y436 HydrophobicContact CG2-CD2 4.46Å; I422-Y436 HydrophobicContact CG2-CE2 3.97Å; A429-Y436 HydrophobicContact CB-CD2 4.14Å; D432-Y436 PolarHBondContact O-N 3.11Å; D432-Y436 VanDerWaalsContact O-N 3.16Å; K434-Y436 PolarHBondContact O-N 3.07Å; Y436-T439 PolarHBondContact O-N 3.22Å; Y436-I440 HydrophobicContact CD1-CD1 3.96Å; Y436-I440 HydrophobicContact CE1-CD1 3.53Å; Y436-I440 HydrophobicContact CE2-CD1 4.34Å; Y436-I440 WeakPolarHBondContact O-CG1 3.44Å; Y436-I440 PolarHBondContact O-N 2.97Å; Y436-N476 PolarHBondContact OH-ND2 3.04Å; Y436-V478 HydrophobicContact CD2-CB 4.36Å; Y436-V478 HydrophobicContact CD2-CG1 4.44Å; Y436-V478 HydrophobicContact CD2-CG2 3.99Å; Y436-V478 HydrophobicContact CE2-CB 3.88Å; Y436-V478 HydrophobicContact CE2-CG1 4.18Å; Y436-V478 HydrophobicContact CE2-CG2 3.91Å; Y436-S488 PolarHBondContact OH-OG 3.08Å; Y436-L491 HydrophobicContact CD1-CB 3.78Å; Y436-L491 HydrophobicContact CD1-CD1 3.61Å; Y436-L491 HydrophobicContact CD1-CG 4.36Å; Y436-L491 HydrophobicContact CD2-CD1 4.17Å; Y436-L491 HydrophobicContact CE1-CB 4.2Å; Y436-L491 HydrophobicContact CE1-CD1 3.94Å; Y436-L491 HydrophobicContact CE2-CD1 4.47Å; Y436-L491 HydrophobicContact CG-CD1 3.73Å
437	I	96.3	Very high	95	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.8	-41.5	-177	-62.8	-53.6	0	0	0	111.8	P433 K434 T439 I440 L441 L492 Y495 V522	P433-I437 WeakPolarHBondContact O-CG1 3.44Å; P433-I437 PolarHBondContact O-N 3.16Å; K434-I437 PolarHBondContact O-N 3.18Å; I437-T439 PolarHBondContact O-N 3.32Å; I437-I440 HydrophobicContact CD1-CD1 4.24Å; I437-I440 PolarHBondContact O-N 3.04Å; I437-I440 VanDerWaalsContact O-N 3.13Å; I437-L441 HydrophobicContact CG2-CD1 3.78Å; I437-L441 HydrophobicContact CG2-CG 4.15Å; I437-L441 WeakPolarHBondContact O-CG 3.34Å; I437-L441 PolarHBondContact O-N 3.45Å; I437-L492 HydrophobicContact CD1-CB 4.18Å; I437-L492 HydrophobicContact CD1-CD1 3.52Å; I437-L492 HydrophobicContact CD1-CG 4.47Å; I437-L492 HydrophobicContact CG1-CD1 4.15Å; I437-Y495 HydrophobicContact CB-CD1 3.87Å; I437-Y495 HydrophobicContact CB-CE1 4.08Å; I437-Y495 HydrophobicContact CB-CG 4.11Å; I437-Y495 HydrophobicContact CG1-CD1 3.85Å; I437-Y495 HydrophobicContact CG1-CG 3.89Å; I437-Y495 HydrophobicContact CG2-CD1 3.68Å; I437-Y495 HydrophobicContact CG2-CE1 3.61Å; I437-Y495 HydrophobicContact CG2-CG 4.43Å; I437-V522 HydrophobicContact CD1-CG1 4.39Å
438	D	95.3	Very high	95.1	Very high	64 Å²	64	51 Å²	51	34%	0.342	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-36.5	177.3	-68.7	-5.8	0	0	0	110.9	K434 L441 K442 Y495	K434-D438 WeakPolarHBondContact CE-OD2 3.42Å; K434-D438 WeakPolarHBondContact CG-OD2 3.18Å; K434-D438 WeakPolarHBondContact O-CB 3.17Å; K434-D438 VanDerWaalsContact O-CG 3.22Å; K434-D438 PolarHBondContact O-N 3.47Å; D438-L441 PolarHBondContact O-N 3.13Å; D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 PolarHBondContact O-N 3Å; D438-Y495 PolarHBondContact OD1-OH 2.97Å
439	T	97.5	Very high	95.1	Very high	20 Å²	20	52 Å²	52	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-45.6	175	-57.9	0	0	0	0	111.7	A421 I422 V425 L435 Y436 I437 K442 V443	A421-T439 HydrophobicContact CB-CG2 3.95Å; I422-T439 HydrophobicContact CG1-CG2 4.35Å; V425-T439 HydrophobicContact CG2-CG2 4.22Å; L435-T439 WeakPolarHBondContact O-CB 3.31Å; L435-T439 PolarHBondContact O-N 2.93Å; L435-T439 VanDerWaalsContact O-N 3.13Å; L435-T439 PolarHBondContact O-OG1 3.24Å; Y436-T439 PolarHBondContact O-N 3.22Å; I437-T439 PolarHBondContact O-N 3.32Å; T439-K442 PolarHBondContact O-N 3.15Å; T439-V443 WeakPolarHBondContact O-CG2 3.48Å; T439-V443 PolarHBondContact O-N 3Å
440	I	97.7	Very high	95.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-47.5	176.6	-69.4	168.8	0	0	0	110.7	I422 Y436 I437 K442 V443 H444 F472 I473 V522	I422-I440 HydrophobicContact CD1-CG1 4.04Å; Y436-I440 HydrophobicContact CD1-CD1 3.96Å; Y436-I440 HydrophobicContact CE1-CD1 3.53Å; Y436-I440 HydrophobicContact CE2-CD1 4.34Å; Y436-I440 WeakPolarHBondContact O-CG1 3.44Å; Y436-I440 PolarHBondContact O-N 2.97Å; I437-I440 HydrophobicContact CD1-CD1 4.24Å; I437-I440 PolarHBondContact O-N 3.04Å; I437-I440 VanDerWaalsContact O-N 3.13Å; I440-K442 VanDerWaalsContact C-N 3.34Å; I440-K442 PolarHBondContact O-N 2.96Å; I440-V443 PolarHBondContact O-N 3.41Å; I440-H444 WeakPolarHBondContact O-CB 3.46Å; I440-H444 PolarHBondContact O-N 3.2Å; I440-F472 HydrophobicContact CG1-CE2 4.12Å; I440-F472 HydrophobicContact CG2-CE2 4.41Å; I440-F472 HydrophobicContact CG2-CZ 4.3Å; I440-I473 HydrophobicContact CD1-CG1 4.34Å; I440-I473 HydrophobicContact CG1-CG1 4.48Å; I440-I473 HydrophobicContact CG2-CD1 3.7Å; I440-I473 HydrophobicContact CG2-CG1 3.88Å; I440-V522 HydrophobicContact CD1-CG1 4.45Å; I440-V522 HydrophobicContact CG2-CG1 4.13Å; I440-V522 HydrophobicContact CG2-CG2 3.87Å
441	L	96	Very high	95.2	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-40.7	-178.4	-71.4	172.2	0	0	0	111.8	I437 D438 V443 H444 Q445 Q518 V522	I437-L441 HydrophobicContact CG2-CD1 3.78Å; I437-L441 HydrophobicContact CG2-CG 4.15Å; I437-L441 WeakPolarHBondContact O-CG 3.34Å; I437-L441 PolarHBondContact O-N 3.45Å; D438-L441 PolarHBondContact O-N 3.13Å; L441-V443 PolarHBondContact O-N 3.29Å; L441-H444 PolarHBondContact O-N 3.42Å; L441-Q445 WeakPolarHBondContact O-CB 3.36Å; L441-Q445 PolarHBondContact O-N 3Å; L441-Q518 HydrophobicContact CD1-CB 3.91Å; L441-Q518 HydrophobicContact CD2-CB 3.8Å; L441-Q518 HydrophobicContact CD2-CG 4.49Å; L441-V522 HydrophobicContact CD2-CG2 3.61Å; L441-V522 HydrophobicContact CG-CG2 4.11Å
442	K	96.3	Very high	95.5	Very high	165 Å²	165	47 Å²	47	72%	0.717	23%	0.226	S	C	*	.	H	α-helix	trans	-60.8	-44.9	176.4	-174.6	178.6	179.4	-178.1	0	112.1	D438 T439 I440 K446	D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 PolarHBondContact O-N 3Å; T439-K442 PolarHBondContact O-N 3.15Å; I440-K442 VanDerWaalsContact C-N 3.34Å; I440-K442 PolarHBondContact O-N 2.96Å; K442-K446 PolarHBondContact O-N 2.99Å; K442-K446 VanDerWaalsContact O-N 3.1Å
443	V	96.7	Very high	95.4	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.085	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-48.9	176.8	174.2	0	0	0	0	110.3	A421 T439 I440 L441 Q445 K446 H447 F472	A421-V443 HydrophobicContact CB-CG2 3.55Å; T439-V443 WeakPolarHBondContact O-CG2 3.48Å; T439-V443 PolarHBondContact O-N 3Å; I440-V443 PolarHBondContact O-N 3.41Å; L441-V443 PolarHBondContact O-N 3.29Å; V443-Q445 VanDerWaalsContact C-N 3.34Å; V443-Q445 PolarHBondContact O-N 3.44Å; V443-K446 PolarHBondContact O-N 2.87Å; V443-H447 PolarHBondContact O-N 3.42Å; V443-H447 PolarHBondContact O-ND1 2.89Å; V443-F472 HydrophobicContact CB-CZ 4.28Å; V443-F472 HydrophobicContact CG1-CE1 4.12Å; V443-F472 HydrophobicContact CG1-CZ 3.99Å
444	H	95.9	Very high	95.3	Very high	17 Å²	17	44.6 Å²	44.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-48.2	178.5	175	-85.7	0	0	0	111.2	I440 L441 K446 H447 Y448 Y525	I440-H444 WeakPolarHBondContact O-CB 3.46Å; I440-H444 PolarHBondContact O-N 3.2Å; L441-H444 PolarHBondContact O-N 3.42Å; H444-K446 PolarHBondContact O-N 3.04Å; H444-H447 PolarHBondContact O-N 2.76Å; H444-Y448 VanDerWaalsContact O-CB 3.26Å; H444-Y448 WeakPolarHBondContact O-CB 3.32Å; H444-Y448 PolarHBondContact O-N 3.36Å; H444-Y525 AromaticContact CD2-CE2 3.6Å; H444-Y525 AromaticContact CD2-CZ 3.87Å; H444-Y525 PolarHBondContact CD2-OH 2.62Å; H444-Y525 AromaticContact NE2-CE2 3.81Å; H444-Y525 AromaticContact NE2-CZ 3.8Å; H444-Y525 PolarHBondContact NE2-OH 2.76Å
445	Q	95.2	Very high	95.3	Very high	93 Å²	93	39.7 Å²	39.7	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-41.3	-178.5	-168.6	63	37.1	0	0	112.5	L441 V443 H447 Y448 N449	L441-Q445 WeakPolarHBondContact O-CB 3.36Å; L441-Q445 PolarHBondContact O-N 3Å; V443-Q445 VanDerWaalsContact C-N 3.34Å; V443-Q445 PolarHBondContact O-N 3.44Å; Q445-H447 VanDerWaalsContact C-N 3.34Å; Q445-H447 PolarHBondContact O-N 3.23Å; Q445-Y448 PolarHBondContact O-N 3.48Å; Q445-N449 PolarHBondContact NE2-OD1 3.23Å; Q445-N449 WeakPolarHBondContact O-CB 3.15Å; Q445-N449 VanDerWaalsContact O-CG 3.25Å; Q445-N449 PolarHBondContact O-N 2.85Å; Q445-N449 PolarHBondContact O-ND2 3.44Å
446	K	95.1	Very high	95.1	Very high	100 Å²	100	37.3 Å²	37.3	44%	0.435	18%	0.183	S	C	.	.	H	α-helix	trans	-57	-49.1	176.3	-178.3	178.5	176.9	-180	0	110.8	D384 K442 V443 H444 N449 L450	D384-K446 VanDerWaalsContact OD1-CE 3.28Å; D384-K446 WeakPolarHBondContact OD1-CE 3.38Å; D384-K446 IonicContact OD1-NZ 3.78Å; D384-K446 PolarHBondContact OD1-NZ 2.97Å; D384-K446 IonicContact OD2-NZ 2.86Å; D384-K446 PolarHBondContact OD2-NZ 3.1Å; K442-K446 PolarHBondContact O-N 2.99Å; K442-K446 VanDerWaalsContact O-N 3.1Å; V443-K446 PolarHBondContact O-N 2.87Å; H444-K446 PolarHBondContact O-N 3.04Å; K446-N449 PolarHBondContact O-N 3.05Å; K446-L450 PolarHBondContact O-N 3.43Å; K446-L450 VanDerWaalsContact O-N 3.12Å
447	H	95.4	Very high	94.9	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-77.9	-31	-176.5	-62.5	87.9	0	0	0	112.8	H413 V414 V443 H444 Q445 N449 L450 V451 L465	H413-H447 AromaticContact CD2-NE2 3.58Å; H413-H447 AromaticContact NE2-NE2 3.94Å; V414-H447 HydrophobicContact CG2-CB 4.1Å; V443-H447 PolarHBondContact O-N 3.42Å; V443-H447 PolarHBondContact O-ND1 2.89Å; H444-H447 PolarHBondContact O-N 2.76Å; Q445-H447 VanDerWaalsContact C-N 3.34Å; Q445-H447 PolarHBondContact O-N 3.23Å; H447-N449 VanDerWaalsContact C-N 3.34Å; H447-L450 WeakPolarHBondContact O-CB 3.26Å; H447-L450 PolarHBondContact O-N 2.87Å; H447-V451 WeakPolarHBondContact O-CG2 3.47Å; H447-V451 PolarHBondContact O-N 3.37Å; H447-L465 HydrophobicContact CB-CD1 3.56Å
448	Y	94.7	Very high	94.8	Very high	83 Å²	83	43 Å²	43	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-57.3	-48.6	170.1	179.9	-84.3	0	0	0	111	H444 Q445 L450 V451 L452 W457 L465	H444-Y448 VanDerWaalsContact O-CB 3.26Å; H444-Y448 WeakPolarHBondContact O-CB 3.32Å; H444-Y448 PolarHBondContact O-N 3.36Å; Q445-Y448 PolarHBondContact O-N 3.48Å; Y448-L450 VanDerWaalsContact C-N 3.3Å; Y448-L450 PolarHBondContact O-N 3.27Å; Y448-V451 PolarHBondContact O-N 3.45Å; Y448-L452 PolarHBondContact O-N 3.18Å; Y448-L452 VanDerWaalsContact O-N 3.08Å; Y448-W457 AromaticContact CD2-CH2 3.58Å; Y448-W457 HydrophobicContact CD2-CH2 3.58Å; Y448-W457 AromaticContact CD2-CZ3 3.83Å; Y448-W457 HydrophobicContact CD2-CZ3 3.83Å; Y448-W457 HydrophobicContact CE1-CZ3 4.47Å; Y448-W457 AromaticContact CE2-CH2 3.17Å; Y448-W457 HydrophobicContact CE2-CH2 3.17Å; Y448-W457 HydrophobicContact CE2-CZ2 4.01Å; Y448-W457 AromaticContact CE2-CZ3 3.64Å; Y448-W457 HydrophobicContact CE2-CZ3 3.64Å; Y448-W457 HydrophobicContact CG-CZ3 4.35Å; Y448-W457 AromaticContact CZ-CH2 3.82Å; Y448-W457 AromaticContact CZ-CZ3 3.96Å; Y448-L465 HydrophobicContact CD2-CD2 4.44Å
449	N	94.6	Very high	94.7	Very high	79 Å²	79	43.7 Å²	43.7	42%	0.422	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-39.4	176.9	-69.5	-12.5	0	0	0	111.5	Q445 K446 H447 L452 S453	Q445-N449 PolarHBondContact NE2-OD1 3.23Å; Q445-N449 WeakPolarHBondContact O-CB 3.15Å; Q445-N449 VanDerWaalsContact O-CG 3.25Å; Q445-N449 PolarHBondContact O-N 2.85Å; Q445-N449 PolarHBondContact O-ND2 3.44Å; K446-N449 PolarHBondContact O-N 3.05Å; H447-N449 VanDerWaalsContact C-N 3.34Å; N449-L452 WeakPolarHBondContact O-CB 3.37Å; N449-L452 PolarHBondContact O-N 2.98Å; N449-S453 PolarHBondContact O-N 2.84Å; N449-S453 PolarHBondContact O-OG 2.81Å
450	L	93.5	Very high	94.6	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-40.8	176.4	-174.8	63.6	0	0	0	112.7	F381 E386 I389 K446 H447 Y448 L452 S453 A454 F455	F381-L450 HydrophobicContact CD1-CD2 3.79Å; F381-L450 HydrophobicContact CE1-CD2 3.63Å; E386-L450 HydrophobicContact CG-CD1 3.81Å; I389-L450 HydrophobicContact CD1-CD1 4.35Å; K446-L450 PolarHBondContact O-N 3.43Å; K446-L450 VanDerWaalsContact O-N 3.12Å; H447-L450 WeakPolarHBondContact O-CB 3.26Å; H447-L450 PolarHBondContact O-N 2.87Å; Y448-L450 VanDerWaalsContact C-N 3.3Å; Y448-L450 PolarHBondContact O-N 3.27Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.86Å; L450-S453 PolarHBondContact O-N 2.97Å; L450-A454 HydrophobicContact CD1-CB 3.75Å; L450-A454 HydrophobicContact CG-CB 4.44Å; L450-A454 WeakPolarHBondContact O-CA 3.46Å; L450-A454 WeakPolarHBondContact O-CB 3.11Å; L450-A454 PolarHBondContact O-N 2.9Å; L450-F455 HydrophobicContact CG-CE2 4.22Å
451	V	95.2	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-40	173.1	178.2	0	0	0	0	111.2	M410 H447 Y448 F455 A456 W457 F461 L465	M410-V451 HydrophobicContact CE-CG2 3.16Å; H447-V451 WeakPolarHBondContact O-CG2 3.47Å; H447-V451 PolarHBondContact O-N 3.37Å; Y448-V451 PolarHBondContact O-N 3.45Å; V451-F455 CarbonylContact O-C 3.57Å; V451-F455 PolarHBondContact O-N 3.31Å; V451-A456 PolarHBondContact O-N 2.89Å; V451-W457 HydrophobicContact CB-CE3 4.06Å; V451-W457 HydrophobicContact CB-CZ3 3.91Å; V451-W457 HydrophobicContact CG1-CD2 4.33Å; V451-W457 HydrophobicContact CG1-CE3 3.5Å; V451-W457 HydrophobicContact CG1-CZ3 3.67Å; V451-W457 PolarHBondContact O-N 2.88Å; V451-F461 HydrophobicContact CG1-CB 4.19Å; V451-F461 HydrophobicContact CG2-CB 4.44Å; V451-L465 HydrophobicContact CG2-CB 4.31Å; V451-L465 HydrophobicContact CG2-CD2 4.26Å
452	L	93.5	Very high	94.5	Very high	57 Å²	57	43.6 Å²	43.6	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-68.7	-46	178.8	-166.5	63.7	0	0	0	112.2	F263 Y448 N449 L450 W457	F263-L452 HydrophobicContact CE1-CD1 3.99Å; F263-L452 HydrophobicContact CE1-CD2 4.17Å; F263-L452 HydrophobicContact CE1-CG 4.2Å; Y448-L452 PolarHBondContact O-N 3.18Å; Y448-L452 VanDerWaalsContact O-N 3.08Å; N449-L452 WeakPolarHBondContact O-CB 3.37Å; N449-L452 PolarHBondContact O-N 2.98Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.86Å; L452-W457 HydrophobicContact CB-CE3 4.32Å; L452-W457 HydrophobicContact CD1-CB 4.17Å; L452-W457 HydrophobicContact CD1-CD2 4.4Å; L452-W457 HydrophobicContact CD1-CE3 4.09Å; L452-W457 HydrophobicContact CD1-CG 4.44Å
453	S	92.3	Very high	94.5	Very high	44 Å²	44	42.6 Å²	42.6	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-81.4	-45.9	-174.5	65.7	0	0	0	0	113.6	E386 N449 L450	E386-S453 PolarHBondContact OE2-OG 3.47Å; N449-S453 PolarHBondContact O-N 2.84Å; N449-S453 PolarHBondContact O-OG 2.81Å; L450-S453 PolarHBondContact O-N 2.97Å
454	A	93	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-103.2	-7.4	-168	0	0	0	0	0	114.3	I389 L450	I389-A454 HydrophobicContact CB-CB 4.32Å; I389-A454 HydrophobicContact CG2-CB 3.8Å; L450-A454 HydrophobicContact CD1-CB 3.75Å; L450-A454 HydrophobicContact CG-CB 4.44Å; L450-A454 WeakPolarHBondContact O-CA 3.46Å; L450-A454 WeakPolarHBondContact O-CB 3.11Å; L450-A454 PolarHBondContact O-N 2.9Å
455	F	94.5	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-131.2	10.2	179.2	-58.8	-74.3	0	0	0	113.6	F377 F381 I389 Y393 L450 V451 W457 D458 F461	F377-F455 AromaticContact CZ-CE1 3.82Å; F377-F455 HydrophobicContact CZ-CE1 3.82Å; F377-F455 AromaticContact CZ-CZ 3.73Å; F377-F455 HydrophobicContact CZ-CZ 3.73Å; F381-F455 AromaticContact CE1-CE2 3.99Å; F381-F455 HydrophobicContact CE1-CE2 3.99Å; F381-F455 AromaticContact CE1-CZ 3.92Å; F381-F455 HydrophobicContact CE1-CZ 3.92Å; F381-F455 HydrophobicContact CZ-CE2 4.1Å; F381-F455 AromaticContact CZ-CZ 3.66Å; F381-F455 HydrophobicContact CZ-CZ 3.66Å; I389-F455 HydrophobicContact CG2-CE1 3.77Å; I389-F455 HydrophobicContact CG2-CE2 3.79Å; I389-F455 HydrophobicContact CG2-CZ 3.22Å; Y393-F455 HydrophobicContact CD1-CD1 4.33Å; Y393-F455 AromaticContact CD2-CD1 3.91Å; Y393-F455 HydrophobicContact CD2-CD1 3.91Å; Y393-F455 AromaticContact CG-CD1 3.74Å; Y393-F455 HydrophobicContact CG-CD1 3.74Å; Y393-F455 HydrophobicContact CG-CE1 4.37Å; L450-F455 HydrophobicContact CG-CE2 4.22Å; V451-F455 CarbonylContact O-C 3.57Å; V451-F455 PolarHBondContact O-N 3.31Å; F455-W457 PolarHBondContact O-N 3.4Å; F455-W457 VanDerWaalsContact O-N 3.1Å; F455-D458 VanDerWaalsContact O-CB 3.28Å; F455-D458 WeakPolarHBondContact O-CB 3.49Å; F455-D458 PolarHBondContact O-N 3.48Å; F455-F461 HydrophobicContact CB-CB 4.05Å; F455-F461 HydrophobicContact CB-CD1 4.44Å; F455-F461 HydrophobicContact CB-CD2 4Å; F455-F461 HydrophobicContact CB-CG 3.92Å; F455-F461 AromaticContact CD1-CD1 3.54Å; F455-F461 HydrophobicContact CD1-CD1 3.54Å; F455-F461 AromaticContact CD1-CD2 3.81Å; F455-F461 HydrophobicContact CD1-CD2 3.81Å; F455-F461 AromaticContact CD1-CE1 3.4Å; F455-F461 HydrophobicContact CD1-CE1 3.4Å; F455-F461 AromaticContact CD1-CE2 3.61Å; F455-F461 HydrophobicContact CD1-CE2 3.61Å; F455-F461 AromaticContact CD1-CG 3.75Å; F455-F461 HydrophobicContact CD1-CG 3.75Å; F455-F461 AromaticContact CD1-CZ 3.41Å; F455-F461 HydrophobicContact CD1-CZ 3.41Å; F455-F461 VanDerWaalsContact CD1-CZ 3.41Å; F455-F461 HydrophobicContact CD2-CD1 4.08Å; F455-F461 HydrophobicContact CD2-CG 4.33Å; F455-F461 AromaticContact CE1-CD1 3.68Å; F455-F461 HydrophobicContact CE1-CD1 3.68Å; F455-F461 AromaticContact CE1-CE1 3.22Å; F455-F461 HydrophobicContact CE1-CE1 3.22Å; F455-F461 HydrophobicContact CE1-CE2 4.19Å; F455-F461 HydrophobicContact CE1-CG 4.36Å; F455-F461 AromaticContact CE1-CZ 3.5Å; F455-F461 HydrophobicContact CE1-CZ 3.5Å; F455-F461 VanDerWaalsContact CE1-CZ 3.5Å; F455-F461 HydrophobicContact CE2-CD1 4.17Å; F455-F461 HydrophobicContact CE2-CE1 4.43Å; F455-F461 HydrophobicContact CG-CB 4.17Å; F455-F461 AromaticContact CG-CD1 3.75Å; F455-F461 HydrophobicContact CG-CD1 3.75Å; F455-F461 HydrophobicContact CG-CD2 4.05Å; F455-F461 HydrophobicContact CG-CE1 4.1Å; F455-F461 HydrophobicContact CG-CE2 4.32Å; F455-F461 AromaticContact CG-CG 3.72Å; F455-F461 HydrophobicContact CG-CG 3.72Å; F455-F461 HydrophobicContact CG-CZ 4.36Å; F455-F461 AromaticContact CZ-CD1 3.97Å; F455-F461 HydrophobicContact CZ-CD1 3.97Å; F455-F461 AromaticContact CZ-CE1 3.77Å; F455-F461 HydrophobicContact CZ-CE1 3.77Å; F455-F461 HydrophobicContact CZ-CZ 4.47Å
456	A	91.9	Very high	94.7	Very high	6 Å²	6	38.3 Å²	38.3	5%	0.05	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	35.2	178.8	0	0	0	0	0	114.1	R264 G265 W390 Y393 V451 D458	R264-A456 WeakPolarHBondContact O-CA 3.34Å; R264-A456 WeakPolarHBondContact O-CB 3.49Å; G265-A456 WeakPolarHBondContact O-CB 3.47Å; W390-A456 HydrophobicContact CH2-CB 4.05Å; W390-A456 HydrophobicContact CZ3-CB 3.77Å; Y393-A456 HydrophobicContact CE1-CB 4.42Å; V451-A456 PolarHBondContact O-N 2.89Å; A456-D458 PolarHBondContact O-N 3.34Å
457	W	92.5	Very high	94.8	Very high	95 Å²	95	38.8 Å²	38.8	36%	0.36	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.1	-176.3	-158.1	-110.7	0	0	0	114.3	Y448 V451 L452 F455	Y448-W457 AromaticContact CD2-CH2 3.58Å; Y448-W457 HydrophobicContact CD2-CH2 3.58Å; Y448-W457 AromaticContact CD2-CZ3 3.83Å; Y448-W457 HydrophobicContact CD2-CZ3 3.83Å; Y448-W457 HydrophobicContact CE1-CZ3 4.47Å; Y448-W457 AromaticContact CE2-CH2 3.17Å; Y448-W457 HydrophobicContact CE2-CH2 3.17Å; Y448-W457 HydrophobicContact CE2-CZ2 4.01Å; Y448-W457 AromaticContact CE2-CZ3 3.64Å; Y448-W457 HydrophobicContact CE2-CZ3 3.64Å; Y448-W457 HydrophobicContact CG-CZ3 4.35Å; Y448-W457 AromaticContact CZ-CH2 3.82Å; Y448-W457 AromaticContact CZ-CZ3 3.96Å; V451-W457 HydrophobicContact CB-CE3 4.06Å; V451-W457 HydrophobicContact CB-CZ3 3.91Å; V451-W457 HydrophobicContact CG1-CD2 4.33Å; V451-W457 HydrophobicContact CG1-CE3 3.5Å; V451-W457 HydrophobicContact CG1-CZ3 3.67Å; V451-W457 PolarHBondContact O-N 2.88Å; L452-W457 HydrophobicContact CB-CE3 4.32Å; L452-W457 HydrophobicContact CD1-CB 4.17Å; L452-W457 HydrophobicContact CD1-CD2 4.4Å; L452-W457 HydrophobicContact CD1-CE3 4.09Å; L452-W457 HydrophobicContact CD1-CG 4.44Å; F455-W457 PolarHBondContact O-N 3.4Å; F455-W457 VanDerWaalsContact O-N 3.1Å
458	D	93.5	Very high	94.9	Very high	26 Å²	26	38.5 Å²	38.5	14%	0.139	19%	0.19	C	C	.	.			trans	-58.2	129.6	177.3	-179.1	-56.8	0	0	0	110.8	Y393 F455 A456 A460 F461 S462	Y393-D458 HydrophobicContact CE2-CB 4.37Å; Y393-D458 WeakPolarHBondContact OH-CB 3.23Å; Y393-D458 PolarHBondContact OH-OD2 3.29Å; F455-D458 VanDerWaalsContact O-CB 3.28Å; F455-D458 WeakPolarHBondContact O-CB 3.49Å; F455-D458 PolarHBondContact O-N 3.48Å; A456-D458 PolarHBondContact O-N 3.34Å; D458-A460 PolarHBondContact O-N 2.99Å; D458-A460 VanDerWaalsContact O-N 3.11Å; D458-A460 WeakPolarHBondContact OD1-CA 3.28Å; D458-A460 WeakPolarHBondContact OD1-CB 3.13Å; D458-A460 PolarHBondContact OD1-N 3.23Å; D458-F461 HydrophobicContact CB-CD2 3.89Å; D458-F461 PolarHBondContact O-N 3.21Å; D458-S462 PolarHBondContact O-N 3.39Å
459	P	94.7	Very high	95	Very high	77 Å²	77	34.5 Å²	34.5	50%	0.5	17%	0.174	S	C	.	.	H	α-helix	trans	-56.8	-28.4	-177.3	-27.1	34.7	0	0	0	114.8	R463	P459-R463 WeakPolarHBondContact O-CG 3.4Å; P459-R463 VanDerWaalsContact O-CZ 3.27Å; P459-R463 PolarHBondContact O-N 3.37Å; P459-R463 VanDerWaalsContact O-N 3.07Å; P459-R463 PolarHBondContact O-NH1 2.88Å
460	A	95.1	Very high	95.1	Very high	17 Å²	17	34.6 Å²	34.6	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-69.1	-40.4	176.9	0	0	0	0	0	111.9	V407 D458 R463 A464	V407-A460 HydrophobicContact CG2-CB 3.74Å; D458-A460 PolarHBondContact O-N 2.99Å; D458-A460 VanDerWaalsContact O-N 3.11Å; D458-A460 WeakPolarHBondContact OD1-CA 3.28Å; D458-A460 WeakPolarHBondContact OD1-CB 3.13Å; D458-A460 PolarHBondContact OD1-N 3.23Å; A460-R463 PolarHBondContact O-N 3.13Å; A460-A464 PolarHBondContact O-N 3.27Å
461	F	96.5	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76	-34.4	176.5	-70	-88.7	0	0	0	112.1	Y393 I403 L406 V407 M410 V451 F455 D458 R463 A464 L465	Y393-F461 HydrophobicContact CD2-CD2 4.49Å; Y393-F461 AromaticContact CD2-CE2 3.55Å; Y393-F461 HydrophobicContact CD2-CE2 3.55Å; Y393-F461 AromaticContact CD2-CZ 3.95Å; Y393-F461 HydrophobicContact CD2-CZ 3.95Å; Y393-F461 HydrophobicContact CE2-CD2 4.28Å; Y393-F461 AromaticContact CE2-CE2 3.6Å; Y393-F461 HydrophobicContact CE2-CE2 3.6Å; Y393-F461 HydrophobicContact CE2-CZ 4.45Å; I403-F461 HydrophobicContact CD1-CD2 4.43Å; I403-F461 HydrophobicContact CD1-CE2 3.42Å; I403-F461 VanDerWaalsContact CD1-CE2 3.42Å; I403-F461 HydrophobicContact CD1-CZ 3.9Å; L406-F461 HydrophobicContact CB-CE1 4.08Å; L406-F461 HydrophobicContact CB-CZ 3.79Å; L406-F461 HydrophobicContact CD1-CZ 4.5Å; V407-F461 HydrophobicContact CG2-CD1 4.45Å; V407-F461 HydrophobicContact CG2-CD2 4.3Å; V407-F461 HydrophobicContact CG2-CE1 4.23Å; V407-F461 HydrophobicContact CG2-CE2 4.13Å; V407-F461 HydrophobicContact CG2-CG 4.49Å; V407-F461 HydrophobicContact CG2-CZ 4.08Å; M410-F461 HydrophobicContact CB-CD1 4.09Å; M410-F461 HydrophobicContact CB-CE1 4.28Å; M410-F461 WeakPolarHBondContact CE-O 3.48Å; M410-F461 HydrophobicContact CG-CD1 4.06Å; M410-F461 HydrophobicContact SD-CB 4.02Å; M410-F461 HydrophobicContact SD-CD1 3.7Å; M410-F461 HydrophobicContact SD-CG 4.34Å; M410-F461 VanDerWaalsContact SD-O 3.37Å; V451-F461 HydrophobicContact CG1-CB 4.19Å; V451-F461 HydrophobicContact CG2-CB 4.44Å; F455-F461 HydrophobicContact CB-CB 4.05Å; F455-F461 HydrophobicContact CB-CD1 4.44Å; F455-F461 HydrophobicContact CB-CD2 4Å; F455-F461 HydrophobicContact CB-CG 3.92Å; F455-F461 AromaticContact CD1-CD1 3.54Å; F455-F461 HydrophobicContact CD1-CD1 3.54Å; F455-F461 AromaticContact CD1-CD2 3.81Å; F455-F461 HydrophobicContact CD1-CD2 3.81Å; F455-F461 AromaticContact CD1-CE1 3.4Å; F455-F461 HydrophobicContact CD1-CE1 3.4Å; F455-F461 AromaticContact CD1-CE2 3.61Å; F455-F461 HydrophobicContact CD1-CE2 3.61Å; F455-F461 AromaticContact CD1-CG 3.75Å; F455-F461 HydrophobicContact CD1-CG 3.75Å; F455-F461 AromaticContact CD1-CZ 3.41Å; F455-F461 HydrophobicContact CD1-CZ 3.41Å; F455-F461 VanDerWaalsContact CD1-CZ 3.41Å; F455-F461 HydrophobicContact CD2-CD1 4.08Å; F455-F461 HydrophobicContact CD2-CG 4.33Å; F455-F461 AromaticContact CE1-CD1 3.68Å; F455-F461 HydrophobicContact CE1-CD1 3.68Å; F455-F461 AromaticContact CE1-CE1 3.22Å; F455-F461 HydrophobicContact CE1-CE1 3.22Å; F455-F461 HydrophobicContact CE1-CE2 4.19Å; F455-F461 HydrophobicContact CE1-CG 4.36Å; F455-F461 AromaticContact CE1-CZ 3.5Å; F455-F461 HydrophobicContact CE1-CZ 3.5Å; F455-F461 VanDerWaalsContact CE1-CZ 3.5Å; F455-F461 HydrophobicContact CE2-CD1 4.17Å; F455-F461 HydrophobicContact CE2-CE1 4.43Å; F455-F461 HydrophobicContact CG-CB 4.17Å; F455-F461 AromaticContact CG-CD1 3.75Å; F455-F461 HydrophobicContact CG-CD1 3.75Å; F455-F461 HydrophobicContact CG-CD2 4.05Å; F455-F461 HydrophobicContact CG-CE1 4.1Å; F455-F461 HydrophobicContact CG-CE2 4.32Å; F455-F461 AromaticContact CG-CG 3.72Å; F455-F461 HydrophobicContact CG-CG 3.72Å; F455-F461 HydrophobicContact CG-CZ 4.36Å; F455-F461 AromaticContact CZ-CD1 3.97Å; F455-F461 HydrophobicContact CZ-CD1 3.97Å; F455-F461 AromaticContact CZ-CE1 3.77Å; F455-F461 HydrophobicContact CZ-CE1 3.77Å; F455-F461 HydrophobicContact CZ-CZ 4.47Å; D458-F461 HydrophobicContact CB-CD2 3.89Å; D458-F461 PolarHBondContact O-N 3.21Å; F461-R463 VanDerWaalsContact C-N 3.31Å; F461-R463 PolarHBondContact O-N 2.89Å; F461-A464 PolarHBondContact O-N 2.99Å; F461-L465 PolarHBondContact O-N 2.87Å
462	S	95.3	Very high	95.3	Very high	24 Å²	24	38.5 Å²	38.5	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-41.6	169.2	170.5	0	0	0	0	111.7	D458 L465 D466	D458-S462 PolarHBondContact O-N 3.39Å; S462-L465 WeakPolarHBondContact O-CB 3.47Å; S462-L465 PolarHBondContact O-N 3.3Å; S462-D466 PolarHBondContact O-N 3.29Å
463	R	96.5	Very high	95.4	Very high	143 Å²	143	35.9 Å²	35.9	54%	0.54	17%	0.172	S	C	.	.	H	α-helix	trans	-67.5	-35.1	173.6	-74.3	-174.5	-60.1	-90.1	2	113.3	P459 A460 F461 D466 K467	P459-R463 WeakPolarHBondContact O-CG 3.4Å; P459-R463 VanDerWaalsContact O-CZ 3.27Å; P459-R463 PolarHBondContact O-N 3.37Å; P459-R463 VanDerWaalsContact O-N 3.07Å; P459-R463 PolarHBondContact O-NH1 2.88Å; A460-R463 PolarHBondContact O-N 3.13Å; F461-R463 VanDerWaalsContact C-N 3.31Å; F461-R463 PolarHBondContact O-N 2.89Å; R463-D466 PolarHBondContact O-N 2.83Å; R463-K467 WeakPolarHBondContact O-CB 3.4Å; R463-K467 WeakPolarHBondContact O-CG 3.48Å; R463-K467 PolarHBondContact O-N 3.48Å
464	A	97.1	Very high	95.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-38.9	175.9	0	0	0	0	0	111.8	V407 M410 E411 A460 F461 K467 G468	V407-A464 HydrophobicContact CG1-CB 3.99Å; M410-A464 HydrophobicContact SD-CB 3.4Å; M410-A464 WeakPolarHBondContact SD-CB 3.37Å; E411-A464 HydrophobicContact CB-CB 4Å; A460-A464 PolarHBondContact O-N 3.27Å; F461-A464 PolarHBondContact O-N 2.99Å; A464-K467 PolarHBondContact O-N 3.37Å; A464-G468 PolarHBondContact O-N 3.26Å
465	L	97.3	Very high	95.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-52.9	168.5	175.2	59.4	0	0	0	110.9	M410 V414 H447 Y448 V451 F461 S462 K467 G468 C469	M410-L465 HydrophobicContact CE-CB 3.84Å; V414-L465 HydrophobicContact CG1-CD1 3.99Å; V414-L465 HydrophobicContact CG2-CD1 4.16Å; H447-L465 HydrophobicContact CB-CD1 3.56Å; Y448-L465 HydrophobicContact CD2-CD2 4.44Å; V451-L465 HydrophobicContact CG2-CB 4.31Å; V451-L465 HydrophobicContact CG2-CD2 4.26Å; F461-L465 PolarHBondContact O-N 2.87Å; S462-L465 WeakPolarHBondContact O-CB 3.47Å; S462-L465 PolarHBondContact O-N 3.3Å; L465-K467 VanDerWaalsContact C-N 3.33Å; L465-K467 PolarHBondContact O-N 3.21Å; L465-G468 PolarHBondContact O-N 2.96Å; L465-C469 WeakPolarHBondContact O-CB 3.42Å; L465-C469 PolarHBondContact O-N 3.43Å; L465-C469 PolarHBondContact O-SG 2.92Å
466	D	96.2	Very high	95.7	Very high	31 Å²	31	40.6 Å²	40.6	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-46.9	-178.5	-79.1	-1.9	0	0	0	111.7	S462 R463 C469 E470 R524 Y525	S462-D466 PolarHBondContact O-N 3.29Å; R463-D466 PolarHBondContact O-N 2.83Å; D466-C469 PolarHBondContact O-N 3.32Å; D466-E470 WeakPolarHBondContact O-CB 3.4Å; D466-E470 PolarHBondContact O-N 3.38Å; D466-R524 IonicContact OD2-CZ 2.64Å; D466-R524 IonicContact OD2-NE 3.17Å; D466-R524 IonicContact OD2-NH2 3.69Å; D466-R524 PolarHBondContact OD2-NH2 3.21Å; D466-Y525 HydrophobicContact CB-CE1 4.06Å; D466-Y525 PolarHBondContact OD1-OH 3.03Å
467	K	96.7	Very high	95.8	Very high	110 Å²	110	40.7 Å²	40.7	48%	0.478	18%	0.184	S	C	.	.	H	α-helix	trans	-67.8	-40.6	178.7	-74.4	178.4	175.9	-174.1	0	113	E411 R463 A464 L465 C469 E470 R471	E411-K467 HydrophobicContact CG-CB 3.89Å; E411-K467 WeakPolarHBondContact OE2-CD 3.27Å; E411-K467 IonicContact OE2-NZ 2.86Å; R463-K467 WeakPolarHBondContact O-CB 3.4Å; R463-K467 WeakPolarHBondContact O-CG 3.48Å; R463-K467 PolarHBondContact O-N 3.48Å; A464-K467 PolarHBondContact O-N 3.37Å; L465-K467 VanDerWaalsContact C-N 3.33Å; L465-K467 PolarHBondContact O-N 3.21Å; K467-C469 VanDerWaalsContact C-N 3.33Å; K467-E470 PolarHBondContact O-N 3.12Å; K467-R471 WeakPolarHBondContact O-CB 3.5Å; K467-R471 PolarHBondContact O-N 2.95Å
468	G	97.5	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-46.8	175	0	0	0	0	0	110.7	A464 L465 R471 F472	A464-G468 PolarHBondContact O-N 3.26Å; L465-G468 PolarHBondContact O-N 2.96Å; G468-R471 WeakPolarHBondContact O-CB 3.36Å; G468-R471 PolarHBondContact O-N 3.47Å; G468-F472 VanDerWaalsContact O-CD1 3.27Å; G468-F472 WeakPolarHBondContact O-CD1 3.33Å; G468-F472 PolarHBondContact O-N 2.93Å; G468-F472 VanDerWaalsContact O-N 3.11Å
469	C	97.8	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-49	173.6	-76.4	0	0	0	0	112.7	L465 D466 K467 R471 F472 I473 Y525	L465-C469 WeakPolarHBondContact O-CB 3.42Å; L465-C469 PolarHBondContact O-N 3.43Å; L465-C469 PolarHBondContact O-SG 2.92Å; D466-C469 PolarHBondContact O-N 3.32Å; K467-C469 VanDerWaalsContact C-N 3.33Å; C469-R471 PolarHBondContact O-N 3.15Å; C469-F472 HydrophobicContact CB-CE1 4.19Å; C469-F472 PolarHBondContact O-N 3.3Å; C469-I473 HydrophobicContact CB-CD1 4.11Å; C469-I473 WeakPolarHBondContact O-CB 3.26Å; C469-I473 WeakPolarHBondContact O-CD1 3.38Å; C469-I473 WeakPolarHBondContact O-CG1 3.32Å; C469-I473 PolarHBondContact O-N 2.62Å; C469-Y525 HydrophobicContact CB-CD1 3.89Å; C469-Y525 HydrophobicContact CB-CD2 3.96Å; C469-Y525 HydrophobicContact CB-CE1 3.93Å; C469-Y525 HydrophobicContact CB-CE2 3.97Å; C469-Y525 HydrophobicContact CB-CG 3.92Å
470	E	95.9	Very high	96	Very high	80 Å²	80	37.1 Å²	37.1	37%	0.374	16%	0.164	S	C	.	.	H	α-helix	trans	-56	-40.7	175.2	-172.4	178.7	177.8	0	0	111.3	D466 K467 N474 E527	D466-E470 WeakPolarHBondContact O-CB 3.4Å; D466-E470 PolarHBondContact O-N 3.38Å; K467-E470 PolarHBondContact O-N 3.12Å; E470-N474 PolarHBondContact O-N 2.74Å; E470-N474 PolarHBondContact O-ND2 2.97Å; E470-E527 HydrophobicContact CG-CG 4.49Å
471	R	95.9	Very high	95.9	Very high	93 Å²	93	41.1 Å²	41.1	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-56.2	179.4	-168.7	168.1	91.9	-169.1	8.1	112	D412 A415 D416 K467 G468 C469 R475	D412-R471 IonicContact OD1-CZ 3.79Å; D412-R471 IonicContact OD1-NH1 2.77Å; D412-R471 PolarHBondContact OD1-NH1 3.05Å; D412-R471 IonicContact OD1-NH2 2.7Å; D412-R471 PolarHBondContact OD1-NH2 3.39Å; A415-R471 HydrophobicContact CB-CB 4.1Å; A415-R471 HydrophobicContact CB-CG 4.27Å; D416-R471 IonicContact OD1-NH2 2.66Å; D416-R471 PolarHBondContact OD1-NH2 2.96Å; K467-R471 WeakPolarHBondContact O-CB 3.5Å; K467-R471 PolarHBondContact O-N 2.95Å; G468-R471 WeakPolarHBondContact O-CB 3.36Å; G468-R471 PolarHBondContact O-N 3.47Å; C469-R471 PolarHBondContact O-N 3.15Å; R471-R475 PolarHBondContact O-N 3.38Å; R471-R475 VanDerWaalsContact O-N 3.08Å
472	F	97	Very high	95.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-77.7	-28.9	-173.5	87.1	-101.6	0	0	0	113.1	V414 A415 W419 I422 I440 V443 G468 C469 R475 N476	V414-F472 HydrophobicContact CG1-CE1 4.48Å; A415-F472 WeakPolarHBondContact O-CB 3.44Å; W419-F472 HydrophobicContact CB-CB 4.45Å; I422-F472 HydrophobicContact CD1-CD2 3.7Å; I422-F472 HydrophobicContact CD1-CE2 3.88Å; I440-F472 HydrophobicContact CG1-CE2 4.12Å; I440-F472 HydrophobicContact CG2-CE2 4.41Å; I440-F472 HydrophobicContact CG2-CZ 4.3Å; V443-F472 HydrophobicContact CB-CZ 4.28Å; V443-F472 HydrophobicContact CG1-CE1 4.12Å; V443-F472 HydrophobicContact CG1-CZ 3.99Å; G468-F472 VanDerWaalsContact O-CD1 3.27Å; G468-F472 WeakPolarHBondContact O-CD1 3.33Å; G468-F472 PolarHBondContact O-N 2.93Å; G468-F472 VanDerWaalsContact O-N 3.11Å; C469-F472 HydrophobicContact CB-CE1 4.19Å; C469-F472 PolarHBondContact O-N 3.3Å; F472-R475 CarbonylContact C-O 3.51Å; F472-R475 WeakPolarHBondContact CA-O 3.37Å; F472-R475 CarbonylContact O-C 3.57Å; F472-R475 VanDerWaalsContact O-O 3.11Å; F472-N476 VanDerWaalsContact O-CB 3.3Å; F472-N476 WeakPolarHBondContact O-CB 3.13Å; F472-N476 PolarHBondContact O-ND2 3.09Å
473	I	96.9	Very high	95.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-38.8	179.2	-69.2	168.4	0	0	0	110.6	I440 C469 N476 S488 V522 Y525 I526	I440-I473 HydrophobicContact CD1-CG1 4.34Å; I440-I473 HydrophobicContact CG1-CG1 4.48Å; I440-I473 HydrophobicContact CG2-CD1 3.7Å; I440-I473 HydrophobicContact CG2-CG1 3.88Å; C469-I473 HydrophobicContact CB-CD1 4.11Å; C469-I473 WeakPolarHBondContact O-CB 3.26Å; C469-I473 WeakPolarHBondContact O-CD1 3.38Å; C469-I473 WeakPolarHBondContact O-CG1 3.32Å; C469-I473 PolarHBondContact O-N 2.62Å; I473-N476 PolarHBondContact O-ND2 3.11Å; I473-S488 VanDerWaalsContact O-CB 3.28Å; I473-S488 WeakPolarHBondContact O-CB 3.48Å; I473-S488 PolarHBondContact O-OG 3.36Å; I473-V522 HydrophobicContact CD1-CG1 4.44Å; I473-V522 HydrophobicContact CG2-CG1 4.44Å; I473-Y525 HydrophobicContact CD1-CD2 3.57Å; I473-Y525 HydrophobicContact CD1-CG 3.91Å; I473-I526 HydrophobicContact CG2-CD1 3.76Å
474	N	94.9	Very high	94.7	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-86.2	-19.2	179.1	-62.8	-74	0	0	0	113.1	E470 Y525 E527	E470-N474 PolarHBondContact O-N 2.74Å; E470-N474 PolarHBondContact O-ND2 2.97Å; N474-Y525 PolarHBondContact ND2-O 3.2Å; N474-E527 PolarHBondContact OD1-N 3.21Å
475	R	94.5	Very high	94	Very high	137 Å²	137	44.8 Å²	44.8	52%	0.517	23%	0.229	S	C	.	.	S	Bend	trans	-138.7	106.5	178.8	-59.3	-178.4	-173.3	173.1	4.4	111.1	R471 F472 Q485	R471-R475 PolarHBondContact O-N 3.38Å; R471-R475 VanDerWaalsContact O-N 3.08Å; F472-R475 CarbonylContact C-O 3.51Å; F472-R475 WeakPolarHBondContact CA-O 3.37Å; F472-R475 CarbonylContact O-C 3.57Å; F472-R475 VanDerWaalsContact O-O 3.11Å; R475-Q485 HydrophobicContact CG-CG 4.46Å
476	N	95.4	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-152.6	174.9	178.9	55.6	63.7	0	0	0	112.3	I422 Y436 F472 I473 V478 T479 E480	I422-N476 HydrophobicContact CB-CB 4.26Å; I422-N476 HydrophobicContact CD1-CB 3.85Å; I422-N476 HydrophobicContact CG2-CB 3.92Å; Y436-N476 PolarHBondContact OH-ND2 3.04Å; F472-N476 VanDerWaalsContact O-CB 3.3Å; F472-N476 WeakPolarHBondContact O-CB 3.13Å; F472-N476 PolarHBondContact O-ND2 3.09Å; I473-N476 PolarHBondContact O-ND2 3.11Å; N476-V478 PolarHBondContact O-N 3.24Å; N476-V478 VanDerWaalsContact O-N 3.15Å; N476-V478 WeakPolarHBondContact OD1-CA 3.42Å; N476-V478 WeakPolarHBondContact OD1-CB 3.22Å; N476-V478 PolarHBondContact OD1-N 3.44Å; N476-T479 PolarHBondContact N-OG1 2.98Å; N476-T479 PolarHBondContact O-N 3.06Å; N476-T479 PolarHBondContact O-OG1 2.74Å; N476-T479 PolarHBondContact OD1-N 3.35Å; N476-E480 WeakPolarHBondContact O-CG 3.35Å; N476-E480 PolarHBondContact O-N 2.74Å
477	A	95.5	Very high	93.6	Very high	8 Å²	8	46.7 Å²	46.7	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-50.9	-37	177.8	0	0	0	0	0	113.9	W419 R423 A426 E480 L481	W419-A477 HydrophobicContact CZ2-CB 4.43Å; R423-A477 HydrophobicContact CB-CB 4.07Å; R423-A477 HydrophobicContact CG-CB 4.14Å; A426-A477 HydrophobicContact CB-CB 3.78Å; A477-E480 PolarHBondContact O-N 2.84Å; A477-L481 WeakPolarHBondContact O-CB 3.16Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 2.69Å; A477-L481 PolarHBondContact O-N 3.46Å
478	V	96	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-42.9	178	173	0	0	0	0	111.4	I422 A426 A429 L430 Y436 N476 E480 L481 A482 K487 L491	I422-V478 HydrophobicContact CG2-CB 4.23Å; I422-V478 HydrophobicContact CG2-CG2 3.62Å; A426-V478 HydrophobicContact CB-CG2 4.02Å; A429-V478 HydrophobicContact CB-CG2 4.04Å; L430-V478 HydrophobicContact CD1-CG1 4.15Å; Y436-V478 HydrophobicContact CD2-CB 4.36Å; Y436-V478 HydrophobicContact CD2-CG1 4.44Å; Y436-V478 HydrophobicContact CD2-CG2 3.99Å; Y436-V478 HydrophobicContact CE2-CB 3.88Å; Y436-V478 HydrophobicContact CE2-CG1 4.18Å; Y436-V478 HydrophobicContact CE2-CG2 3.91Å; N476-V478 PolarHBondContact O-N 3.24Å; N476-V478 VanDerWaalsContact O-N 3.15Å; N476-V478 WeakPolarHBondContact OD1-CA 3.42Å; N476-V478 WeakPolarHBondContact OD1-CB 3.22Å; N476-V478 PolarHBondContact OD1-N 3.44Å; V478-E480 VanDerWaalsContact C-N 3.28Å; V478-E480 PolarHBondContact O-N 3.44Å; V478-L481 PolarHBondContact O-N 2.81Å; V478-A482 VanDerWaalsContact O-CB 3.3Å; V478-A482 WeakPolarHBondContact O-CB 3.23Å; V478-A482 PolarHBondContact O-N 2.91Å; V478-K487 HydrophobicContact CG1-CG 4.01Å; V478-L491 HydrophobicContact CG1-CD1 3.88Å
479	T	94.4	Very high	93.5	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-33.2	175.5	61	0	0	0	0	112.5	N476 G483 N484 K487 S488	N476-T479 PolarHBondContact N-OG1 2.98Å; N476-T479 PolarHBondContact O-N 3.06Å; N476-T479 PolarHBondContact O-OG1 2.74Å; N476-T479 PolarHBondContact OD1-N 3.35Å; T479-G483 PolarHBondContact O-N 3.15Å; T479-N484 PolarHBondContact O-N 3.44Å; T479-K487 HydrophobicContact CG2-CB 4.4Å; T479-S488 VanDerWaalsContact CG2-OG 3.31Å; T479-S488 WeakPolarHBondContact CG2-OG 3.34Å
480	E	94.2	Very high	93.3	Very high	118 Å²	118	41.8 Å²	41.8	55%	0.551	21%	0.213	S	C	*	.	H	α-helix	trans	-70	-47.9	175.8	-71.2	168.4	-163.7	0	0	111.2	N476 A477 V478 A482 G483	N476-E480 WeakPolarHBondContact O-CG 3.35Å; N476-E480 PolarHBondContact O-N 2.74Å; A477-E480 PolarHBondContact O-N 2.84Å; V478-E480 VanDerWaalsContact C-N 3.28Å; V478-E480 PolarHBondContact O-N 3.44Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 2.87Å; E480-G483 WeakPolarHBondContact O-CA 3.18Å; E480-G483 PolarHBondContact O-N 3.5Å
481	L	92.6	Very high	93.3	Very high	102 Å²	102	38 Å²	38	53%	0.534	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-38.3	175	-74.3	172.9	0	0	0	112.4	A426 A477 V478 G483	A426-L481 HydrophobicContact CB-CD1 3.65Å; A477-L481 WeakPolarHBondContact O-CB 3.16Å; A477-L481 VanDerWaalsContact O-CG 3.22Å; A477-L481 WeakPolarHBondContact O-CG 2.69Å; A477-L481 PolarHBondContact O-N 3.46Å; V478-L481 PolarHBondContact O-N 2.81Å; L481-G483 PolarHBondContact O-N 3.24Å
482	A	89.8	Confident	93.4	Very high	31 Å²	31	33.6 Å²	33.6	26%	0.256	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.6	174.9	0	0	0	0	0	113.4	L430 V478 E480 N484 K487	L430-A482 HydrophobicContact CD1-CB 3.92Å; V478-A482 VanDerWaalsContact O-CB 3.3Å; V478-A482 WeakPolarHBondContact O-CB 3.23Å; V478-A482 PolarHBondContact O-N 2.91Å; E480-A482 VanDerWaalsContact C-N 3.3Å; E480-A482 PolarHBondContact O-N 2.87Å; A482-N484 PolarHBondContact O-N 3.2Å; A482-N484 PolarHBondContact O-ND2 3.27Å; A482-N484 VanDerWaalsContact O-ND2 3.09Å; A482-K487 HydrophobicContact CB-CB 3.84Å; A482-K487 HydrophobicContact CB-CD 4.03Å; A482-K487 HydrophobicContact CB-CG 3.74Å
483	G	87.3	Confident	93.4	Very high	69 Å²	69	33.6 Å²	33.6	71%	0.711	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	11.8	-176.8	0	0	0	0	0	114.8	T479 E480 L481	T479-G483 PolarHBondContact O-N 3.15Å; E480-G483 WeakPolarHBondContact O-CA 3.18Å; E480-G483 PolarHBondContact O-N 3.5Å; L481-G483 PolarHBondContact O-N 3.24Å
484	N	85.1	Confident	93.3	Very high	57 Å²	57	36.8 Å²	36.8	31%	0.305	19%	0.193	S	C	.	.	S	Bend	trans	-157.2	143.6	177.8	69.5	84.4	0	0	0	113.2	T479 A482 R486 K487	T479-N484 PolarHBondContact O-N 3.44Å; A482-N484 PolarHBondContact O-N 3.2Å; A482-N484 PolarHBondContact O-ND2 3.27Å; A482-N484 VanDerWaalsContact O-ND2 3.09Å; N484-R486 PolarHBondContact O-N 3.12Å; N484-R486 WeakPolarHBondContact OD1-CB 3.39Å; N484-R486 PolarHBondContact OD1-N 3.18Å; N484-K487 PolarHBondContact O-N 3.08Å; N484-K487 PolarHBondContact OD1-N 3.46Å
485	Q	84	Confident	93.3	Very high	87 Å²	87	37 Å²	37	41%	0.407	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.1	179.8	-67	170.2	2.7	0	0	113.6	R475 K487	R475-Q485 HydrophobicContact CG-CG 4.46Å; Q485-K487 PolarHBondContact O-N 3.42Å
486	R	89.7	Confident	93.4	Very high	55 Å²	55	30.4 Å²	30.4	21%	0.208	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.3	-178.9	-57.8	179	-171.8	157.2	-1	112.7	N484 P489 E490 V531 L787 E791	N484-R486 PolarHBondContact O-N 3.12Å; N484-R486 WeakPolarHBondContact OD1-CB 3.39Å; N484-R486 PolarHBondContact OD1-N 3.18Å; R486-P489 WeakPolarHBondContact O-CD 3.24Å; R486-P489 VanDerWaalsContact O-CG 3.3Å; R486-P489 WeakPolarHBondContact O-CG 3.43Å; R486-E490 PolarHBondContact O-N 3.43Å; R486-V531 HydrophobicContact CB-CG1 4.18Å; R486-V531 HydrophobicContact CB-CG2 4.42Å; R486-V531 HydrophobicContact CG-CG2 4.14Å; R486-L787 HydrophobicContact CB-CD2 4.17Å; R486-E791 IonicContact CZ-OE1 2.74Å; R486-E791 VanDerWaalsContact CZ-OE1 3.3Å; R486-E791 IonicContact NH1-OE1 3.75Å; R486-E791 PolarHBondContact NH1-OE1 2.98Å; R486-E791 IonicContact NH2-OE1 2.66Å; R486-E791 PolarHBondContact NH2-OE1 3.34Å
487	K	93.8	Very high	93.4	Very high	19 Å²	19	31.2 Å²	31.2	8%	0.083	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-37.8	178.1	-167.3	61.5	174	179.3	0	112.9	L430 V478 T479 A482 N484 Q485 E490 L491	L430-K487 VanDerWaalsContact O-CE 3.29Å; L430-K487 WeakPolarHBondContact O-CE 3.34Å; V478-K487 HydrophobicContact CG1-CG 4.01Å; T479-K487 HydrophobicContact CG2-CB 4.4Å; A482-K487 HydrophobicContact CB-CB 3.84Å; A482-K487 HydrophobicContact CB-CD 4.03Å; A482-K487 HydrophobicContact CB-CG 3.74Å; N484-K487 PolarHBondContact O-N 3.08Å; N484-K487 PolarHBondContact OD1-N 3.46Å; Q485-K487 PolarHBondContact O-N 3.42Å; K487-E490 WeakPolarHBondContact CD-OE2 3.37Å; K487-E490 IonicContact NZ-OE1 3.68Å; K487-E490 PolarHBondContact NZ-OE1 2.86Å; K487-E490 IonicContact NZ-OE2 3.27Å; K487-E490 PolarHBondContact NZ-OE2 2.79Å; K487-E490 WeakPolarHBondContact O-CB 3.3Å; K487-E490 PolarHBondContact O-N 3.11Å; K487-L491 HydrophobicContact CD-CG 4.37Å; K487-L491 HydrophobicContact CG-CD1 4.03Å; K487-L491 HydrophobicContact CG-CG 4.25Å; K487-L491 WeakPolarHBondContact O-CG 3.35Å; K487-L491 PolarHBondContact O-N 3.45Å
488	S	95.9	Very high	93.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-53.5	177.8	-59.8	0	0	0	0	113.3	Y436 I473 T479 E490 L491 L492	Y436-S488 PolarHBondContact OH-OG 3.08Å; I473-S488 VanDerWaalsContact O-CB 3.28Å; I473-S488 WeakPolarHBondContact O-CB 3.48Å; I473-S488 PolarHBondContact O-OG 3.36Å; T479-S488 VanDerWaalsContact CG2-OG 3.31Å; T479-S488 WeakPolarHBondContact CG2-OG 3.34Å; S488-E490 VanDerWaalsContact C-N 3.29Å; S488-E490 PolarHBondContact O-N 3.3Å; S488-L491 PolarHBondContact O-N 3.29Å; S488-L492 WeakPolarHBondContact O-CB 3.16Å; S488-L492 PolarHBondContact O-N 2.89Å
489	P	96.1	Very high	93.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-33	175.8	18	-27.8	0	0	0	113.5	R486 A493 I526 V531 F532	R486-P489 WeakPolarHBondContact O-CD 3.24Å; R486-P489 VanDerWaalsContact O-CG 3.3Å; R486-P489 WeakPolarHBondContact O-CG 3.43Å; P489-A493 WeakPolarHBondContact O-CB 3.31Å; P489-A493 PolarHBondContact O-N 2.93Å; P489-I526 HydrophobicContact CB-CG2 3.89Å; P489-I526 HydrophobicContact CG-CG2 4.28Å; P489-V531 HydrophobicContact CB-CB 4.06Å; P489-V531 HydrophobicContact CB-CG1 4.04Å; P489-V531 HydrophobicContact CG-CB 3.87Å; P489-V531 HydrophobicContact CG-CG1 3.77Å; P489-F532 HydrophobicContact CB-CB 3.83Å
490	E	95	Very high	93.2	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-50.7	173.7	-179.1	-158.2	136.3	0	0	111.4	R486 K487 S488 L492 A493 K494 F535	R486-E490 PolarHBondContact O-N 3.43Å; K487-E490 WeakPolarHBondContact CD-OE2 3.37Å; K487-E490 IonicContact NZ-OE1 3.68Å; K487-E490 PolarHBondContact NZ-OE1 2.86Å; K487-E490 IonicContact NZ-OE2 3.27Å; K487-E490 PolarHBondContact NZ-OE2 2.79Å; K487-E490 WeakPolarHBondContact O-CB 3.3Å; K487-E490 PolarHBondContact O-N 3.11Å; S488-E490 VanDerWaalsContact C-N 3.29Å; S488-E490 PolarHBondContact O-N 3.3Å; E490-L492 PolarHBondContact O-N 3.26Å; E490-A493 PolarHBondContact O-N 2.93Å; E490-K494 HydrophobicContact CG-CD 4.33Å; E490-K494 WeakPolarHBondContact O-CG 3.29Å; E490-K494 PolarHBondContact O-N 2.83Å; E490-K494 WeakPolarHBondContact OE1-CE 3.39Å; E490-K494 IonicContact OE1-NZ 2.73Å; E490-K494 PolarHBondContact OE1-NZ 2.95Å; E490-F535 HydrophobicContact CB-CD2 4.06Å; E490-F535 HydrophobicContact CB-CE2 3.91Å; E490-F535 HydrophobicContact CB-CZ 4.27Å; E490-F535 HydrophobicContact CG-CD1 4.19Å; E490-F535 HydrophobicContact CG-CD2 4.22Å; E490-F535 HydrophobicContact CG-CE1 3.95Å; E490-F535 HydrophobicContact CG-CE2 3.98Å; E490-F535 HydrophobicContact CG-CG 4.34Å; E490-F535 HydrophobicContact CG-CZ 3.84Å
491	L	96.1	Very high	93.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-40.8	-179.9	-70.4	176.2	0	0	0	111.3	P433 Y436 V478 K487 S488 A493 K494 Y495	P433-L491 HydrophobicContact CB-CD2 4.37Å; P433-L491 HydrophobicContact CG-CD2 4.03Å; Y436-L491 HydrophobicContact CD1-CB 3.78Å; Y436-L491 HydrophobicContact CD1-CD1 3.61Å; Y436-L491 HydrophobicContact CD1-CG 4.36Å; Y436-L491 HydrophobicContact CD2-CD1 4.17Å; Y436-L491 HydrophobicContact CE1-CB 4.2Å; Y436-L491 HydrophobicContact CE1-CD1 3.94Å; Y436-L491 HydrophobicContact CE2-CD1 4.47Å; Y436-L491 HydrophobicContact CG-CD1 3.73Å; V478-L491 HydrophobicContact CG1-CD1 3.88Å; K487-L491 HydrophobicContact CD-CG 4.37Å; K487-L491 HydrophobicContact CG-CD1 4.03Å; K487-L491 HydrophobicContact CG-CG 4.25Å; K487-L491 WeakPolarHBondContact O-CG 3.35Å; K487-L491 PolarHBondContact O-N 3.45Å; S488-L491 PolarHBondContact O-N 3.29Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 2.69Å; L491-K494 PolarHBondContact O-N 3.14Å; L491-Y495 WeakPolarHBondContact O-CB 3.38Å; L491-Y495 PolarHBondContact O-N 2.93Å
492	L	97.5	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-42.9	175.1	-172.8	67.4	0	0	0	111.9	I437 S488 E490 Y495 A496 V519 V522 F523 I526 F532	I437-L492 HydrophobicContact CD1-CB 4.18Å; I437-L492 HydrophobicContact CD1-CD1 3.52Å; I437-L492 HydrophobicContact CD1-CG 4.47Å; I437-L492 HydrophobicContact CG1-CD1 4.15Å; S488-L492 WeakPolarHBondContact O-CB 3.16Å; S488-L492 PolarHBondContact O-N 2.89Å; E490-L492 PolarHBondContact O-N 3.26Å; L492-Y495 PolarHBondContact O-N 2.73Å; L492-A496 PolarHBondContact O-N 3.21Å; L492-V519 HydrophobicContact CD1-CG1 3.92Å; L492-V519 HydrophobicContact CG-CG1 4.3Å; L492-V522 HydrophobicContact CD1-CB 3.97Å; L492-V522 HydrophobicContact CD1-CG1 3.92Å; L492-V522 HydrophobicContact CD2-CG1 4.26Å; L492-F523 HydrophobicContact CD2-CB 3.9Å; L492-F523 HydrophobicContact CD2-CD2 4.3Å; L492-I526 HydrophobicContact CD2-CD1 4.39Å; L492-I526 HydrophobicContact CD2-CG1 3.9Å; L492-F532 HydrophobicContact CB-CD2 4.03Å; L492-F532 HydrophobicContact CB-CE2 4.22Å; L492-F532 HydrophobicContact CD2-CD2 3.9Å; L492-F532 HydrophobicContact CD2-CE2 4Å; L492-F532 HydrophobicContact CG-CD2 3.95Å; L492-F532 HydrophobicContact CG-CE2 3.77Å
493	A	96.7	Very high	92.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-36.9	176.7	0	0	0	0	0	112.5	P489 E490 L491 D497 F532 F535	P489-A493 WeakPolarHBondContact O-CB 3.31Å; P489-A493 PolarHBondContact O-N 2.93Å; E490-A493 PolarHBondContact O-N 2.93Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 2.69Å; A493-D497 WeakPolarHBondContact O-CB 3.43Å; A493-D497 PolarHBondContact O-N 2.93Å; A493-F532 HydrophobicContact CB-CD2 3.72Å; A493-F532 HydrophobicContact CB-CE2 3.89Å; A493-F532 HydrophobicContact CB-CG 4.42Å; A493-F535 HydrophobicContact CB-CB 3.61Å
494	K	94.8	Very high	91.4	Very high	69 Å²	69	31.2 Å²	31.2	30%	0.3	15%	0.153	S	C	.	.	H	α-helix	trans	-67.8	-38.2	174.8	-75.8	176.7	170.4	175.4	0	112.4	P433 E490 L491 D497 F498	P433-K494 HydrophobicContact CB-CB 4.12Å; P433-K494 HydrophobicContact CG-CB 3.7Å; P433-K494 HydrophobicContact CG-CD 4.32Å; E490-K494 HydrophobicContact CG-CD 4.33Å; E490-K494 WeakPolarHBondContact O-CG 3.29Å; E490-K494 PolarHBondContact O-N 2.83Å; E490-K494 WeakPolarHBondContact OE1-CE 3.39Å; E490-K494 IonicContact OE1-NZ 2.73Å; E490-K494 PolarHBondContact OE1-NZ 2.95Å; L491-K494 PolarHBondContact O-N 3.14Å; K494-D497 PolarHBondContact O-N 2.96Å; K494-F498 PolarHBondContact O-N 3.19Å
495	Y	96	Very high	90.6	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-45.4	175.2	-178.6	-115.2	0	0	0	111.4	K434 I437 D438 L491 L492 D497 F498 L499 T515 V519	K434-Y495 HydrophobicContact CB-CD2 3.99Å; K434-Y495 HydrophobicContact CB-CE2 3.84Å; K434-Y495 HydrophobicContact CD-CE2 4.48Å; K434-Y495 HydrophobicContact CG-CD2 4.48Å; K434-Y495 HydrophobicContact CG-CE2 3.83Å; I437-Y495 HydrophobicContact CB-CD1 3.87Å; I437-Y495 HydrophobicContact CB-CE1 4.08Å; I437-Y495 HydrophobicContact CB-CG 4.11Å; I437-Y495 HydrophobicContact CG1-CD1 3.85Å; I437-Y495 HydrophobicContact CG1-CG 3.89Å; I437-Y495 HydrophobicContact CG2-CD1 3.68Å; I437-Y495 HydrophobicContact CG2-CE1 3.61Å; I437-Y495 HydrophobicContact CG2-CG 4.43Å; D438-Y495 PolarHBondContact OD1-OH 2.97Å; L491-Y495 WeakPolarHBondContact O-CB 3.38Å; L491-Y495 PolarHBondContact O-N 2.93Å; L492-Y495 PolarHBondContact O-N 2.73Å; Y495-D497 VanDerWaalsContact C-N 3.29Å; Y495-D497 PolarHBondContact O-N 3.15Å; Y495-F498 WeakPolarHBondContact O-CB 3.36Å; Y495-F498 PolarHBondContact O-N 3.42Å; Y495-F498 VanDerWaalsContact O-N 3.11Å; Y495-L499 HydrophobicContact CD1-CD1 4.03Å; Y495-L499 HydrophobicContact CE1-CD1 3.63Å; Y495-L499 HydrophobicContact CE1-CG 4.37Å; Y495-L499 HydrophobicContact CE2-CD2 4.46Å; Y495-L499 HydrophobicContact CE2-CG 4.44Å; Y495-L499 WeakPolarHBondContact O-CG 3.37Å; Y495-L499 PolarHBondContact O-N 3.4Å; Y495-T515 HydrophobicContact CE1-CG2 4.36Å; Y495-V519 HydrophobicContact CD1-CG2 3.7Å; Y495-V519 HydrophobicContact CE1-CG2 3.73Å
496	A	96	Very high	90.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-41.1	173.2	0	0	0	0	0	112.1	L492 L499 L500 V519 Y536	L492-A496 PolarHBondContact O-N 3.21Å; A496-L499 PolarHBondContact O-N 3.45Å; A496-L500 WeakPolarHBondContact O-CB 3.06Å; A496-L500 WeakPolarHBondContact O-CD1 3.39Å; A496-L500 WeakPolarHBondContact O-CG 3.47Å; A496-L500 PolarHBondContact O-N 3.43Å; A496-L500 VanDerWaalsContact O-N 3.1Å; A496-V519 HydrophobicContact CB-CG1 4.28Å; A496-Y536 HydrophobicContact CB-CD2 4.23Å; A496-Y536 HydrophobicContact CB-CE2 4.11Å
497	D	95.1	Very high	89.6	Confident	16 Å²	16	39.4 Å²	39.4	9%	0.086	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-41.2	174	174.6	61.3	0	0	0	112.9	A493 K494 Y495 L500 K501 T539 R543	A493-D497 WeakPolarHBondContact O-CB 3.43Å; A493-D497 PolarHBondContact O-N 2.93Å; K494-D497 PolarHBondContact O-N 2.96Å; Y495-D497 VanDerWaalsContact C-N 3.29Å; Y495-D497 PolarHBondContact O-N 3.15Å; D497-L500 PolarHBondContact O-N 3.1Å; D497-K501 VanDerWaalsContact O-CG 3.29Å; D497-K501 WeakPolarHBondContact O-CG 3.35Å; D497-K501 PolarHBondContact O-N 3.06Å; D497-K501 WeakPolarHBondContact OD1-CE 3.46Å; D497-K501 IonicContact OD1-NZ 3.42Å; D497-K501 WeakPolarHBondContact OD2-CE 3.27Å; D497-K501 IonicContact OD2-NZ 2.71Å; D497-K501 PolarHBondContact OD2-NZ 2.86Å; D497-T539 HydrophobicContact CB-CG2 4.04Å; D497-T539 WeakPolarHBondContact OD1-CB 3.28Å; D497-R543 VanDerWaalsContact OD1-CD 3.31Å; D497-R543 WeakPolarHBondContact OD1-CD 3.22Å; D497-R543 IonicContact OD1-CZ 2.69Å; D497-R543 IonicContact OD1-NE 3.92Å; D497-R543 IonicContact OD1-NH1 3.87Å; D497-R543 PolarHBondContact OD1-NH1 3.31Å
498	F	93.3	Very high	89.1	Confident	92 Å²	92	44.9 Å²	44.9	40%	0.404	22%	0.221	S	C	.	.	H	α-helix	trans	-59.6	-46.5	175.9	169.8	-97.9	0	0	0	111.7	K494 Y495 L500 K501	K494-F498 PolarHBondContact O-N 3.19Å; Y495-F498 WeakPolarHBondContact O-CB 3.36Å; Y495-F498 PolarHBondContact O-N 3.42Å; Y495-F498 VanDerWaalsContact O-N 3.11Å; F498-L500 VanDerWaalsContact C-N 3.34Å; F498-L500 PolarHBondContact O-N 2.84Å; F498-K501 PolarHBondContact O-N 3.41Å
499	L	93.3	Very high	88.2	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-36.5	179.2	-66.6	174.5	0	0	0	112.8	Y495 A496 K501 I507 L512 T515 L516 V519	Y495-L499 HydrophobicContact CD1-CD1 4.03Å; Y495-L499 HydrophobicContact CE1-CD1 3.63Å; Y495-L499 HydrophobicContact CE1-CG 4.37Å; Y495-L499 HydrophobicContact CE2-CD2 4.46Å; Y495-L499 HydrophobicContact CE2-CG 4.44Å; Y495-L499 WeakPolarHBondContact O-CG 3.37Å; Y495-L499 PolarHBondContact O-N 3.4Å; A496-L499 PolarHBondContact O-N 3.45Å; L499-K501 VanDerWaalsContact C-N 3.34Å; L499-K501 PolarHBondContact O-N 3.28Å; L499-I507 HydrophobicContact CD2-CD1 3.74Å; L499-L512 HydrophobicContact CB-CD1 3.89Å; L499-T515 HydrophobicContact CD1-CG2 3.57Å; L499-T515 HydrophobicContact CD2-CG2 4.13Å; L499-L516 HydrophobicContact CD1-CD2 4.41Å; L499-V519 HydrophobicContact CD1-CG2 4.04Å
500	L	94.5	Very high	87.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.2	-175.8	-69.4	165.9	0	0	0	113.9	A496 D497 F498 L516 Y536 S549 V550 A554 M558	A496-L500 WeakPolarHBondContact O-CB 3.06Å; A496-L500 WeakPolarHBondContact O-CD1 3.39Å; A496-L500 WeakPolarHBondContact O-CG 3.47Å; A496-L500 PolarHBondContact O-N 3.43Å; A496-L500 VanDerWaalsContact O-N 3.1Å; D497-L500 PolarHBondContact O-N 3.1Å; F498-L500 VanDerWaalsContact C-N 3.34Å; F498-L500 PolarHBondContact O-N 2.84Å; L500-L516 HydrophobicContact CD2-CD1 4.17Å; L500-L516 HydrophobicContact CD2-CD2 4.47Å; L500-L516 HydrophobicContact CG-CD2 4.41Å; L500-Y536 HydrophobicContact CD1-CE2 4.13Å; L500-Y536 WeakPolarHBondContact CD1-OH 3.48Å; L500-S549 CarbonylContact O-C 3.51Å; L500-S549 WeakPolarHBondContact O-CA 3.38Å; L500-V550 PolarHBondContact O-N 3.29Å; L500-A554 HydrophobicContact CD2-CB 3.91Å; L500-M558 HydrophobicContact CD1-CB 4.44Å; L500-M558 HydrophobicContact CD1-CG 4.29Å
501	K	92.1	Very high	87.3	Confident	59 Å²	59	60 Å²	60	26%	0.257	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-86.2	146.8	177.7	-85.5	169.2	170.5	166.7	0	112.6	D497 F498 L499 S503 A504 R543 Q548	D497-K501 VanDerWaalsContact O-CG 3.29Å; D497-K501 WeakPolarHBondContact O-CG 3.35Å; D497-K501 PolarHBondContact O-N 3.06Å; D497-K501 WeakPolarHBondContact OD1-CE 3.46Å; D497-K501 IonicContact OD1-NZ 3.42Å; D497-K501 WeakPolarHBondContact OD2-CE 3.27Å; D497-K501 IonicContact OD2-NZ 2.71Å; D497-K501 PolarHBondContact OD2-NZ 2.86Å; F498-K501 PolarHBondContact O-N 3.41Å; L499-K501 VanDerWaalsContact C-N 3.34Å; L499-K501 PolarHBondContact O-N 3.28Å; K501-S503 PolarHBondContact O-N 2.88Å; K501-A504 WeakPolarHBondContact O-CB 3.16Å; K501-A504 PolarHBondContact O-N 3.5Å; K501-R543 HydrophobicContact CG-CG 4.15Å; K501-Q548 CarbonylContact C-O 3.59Å; K501-Q548 WeakPolarHBondContact CA-O 3.28Å
502	K	83.3	Confident	86.9	Confident	81 Å²	81	60.2 Å²	60.2	35%	0.352	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.3	-17.4	173.4	-76.4	179.7	-175.7	174.3	0	114.6	A504 K505 N547 Q548 S549	K502-A504 VanDerWaalsContact C-N 3.28Å; K502-K505 WeakPolarHBondContact O-CD 3.41Å; K502-K505 WeakPolarHBondContact O-CG 3.43Å; K502-N547 VanDerWaalsContact CE-O 3.24Å; K502-N547 WeakPolarHBondContact CE-O 3.1Å; K502-N547 PolarHBondContact NZ-O 3.41Å; K502-N547 PolarHBondContact NZ-OD1 3.39Å; K502-Q548 WeakPolarHBondContact CG-O 3.47Å; K502-Q548 PolarHBondContact N-O 3.19Å; K502-S549 WeakPolarHBondContact CE-O 3.37Å; K502-S549 WeakPolarHBondContact CG-O 3.37Å
503	S	78.1	Confident	86.7	Confident	89 Å²	89	64 Å²	64	62%	0.622	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-72.5	-20.5	173.7	50.2	0	0	0	0	113.1	K501 K505	K501-S503 PolarHBondContact O-N 2.88Å; S503-K505 PolarHBondContact O-N 3.36Å
504	A	73.8	Confident	86.4	Confident	8 Å²	8	69.9 Å²	69.9	7%	0.066	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-86.2	21.9	178.8	0	0	0	0	0	113.3	K501 K502 D506 I507	K501-A504 WeakPolarHBondContact O-CB 3.16Å; K501-A504 PolarHBondContact O-N 3.5Å; K502-A504 VanDerWaalsContact C-N 3.28Å; A504-D506 PolarHBondContact O-N 3.37Å; A504-I507 HydrophobicContact CB-CD1 4.21Å; A504-I507 PolarHBondContact O-N 2.97Å; A504-I507 VanDerWaalsContact O-N 3.07Å
505	K	68.5	Low	86.3	Confident	153 Å²	153	67.9 Å²	67.9	67%	0.665	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15	-176.2	-91.4	175.4	-179.3	-163.9	0	115.2	K502 S503 I507	K502-K505 WeakPolarHBondContact O-CD 3.41Å; K502-K505 WeakPolarHBondContact O-CG 3.43Å; S503-K505 PolarHBondContact O-N 3.36Å; K505-I507 VanDerWaalsContact C-N 3.26Å; K505-I507 PolarHBondContact O-N 3.49Å
506	D	73	Confident	86.1	Confident	161 Å²	161	67.4 Å²	67.4	86%	0.861	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.1	178.4	-60.4	-29.9	0	0	0	113.1	A504	A504-D506 PolarHBondContact O-N 3.37Å
507	I	79.6	Confident	86	Confident	56 Å²	56	68.5 Å²	68.5	29%	0.287	35%	0.351	S	S	.	.	S	Bend	trans	-89.5	126.4	176.3	-52	176.7	0	0	0	108.8	L499 A504 K505 D511 L512	L499-I507 HydrophobicContact CD2-CD1 3.74Å; A504-I507 HydrophobicContact CB-CD1 4.21Å; A504-I507 PolarHBondContact O-N 2.97Å; A504-I507 VanDerWaalsContact O-N 3.07Å; K505-I507 VanDerWaalsContact C-N 3.26Å; K505-I507 PolarHBondContact O-N 3.49Å; I507-D511 HydrophobicContact CG2-CB 3.94Å; I507-L512 HydrophobicContact CG2-CB 4.09Å
508	Q	81.8	Confident	85.9	Confident	134 Å²	134	70.7 Å²	70.7	63%	0.626	36%	0.36	S	S	*	.			trans	-64.6	152.2	174.3	-59.2	-171.6	6.6	0	0	110.5	D510 D511 L512	Q508-D510 VanDerWaalsContact C-N 3.32Å; Q508-D510 PolarHBondContact O-N 2.91Å; Q508-D511 HydrophobicContact CB-CB 4.43Å; Q508-D511 PolarHBondContact O-N 2.87Å; Q508-L512 WeakPolarHBondContact O-CB 3.3Å; Q508-L512 PolarHBondContact O-N 3.49Å
509	L	78.5	Confident	86	Confident	114 Å²	114	66.3 Å²	66.3	60%	0.597	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-37.1	-175.2	-70.8	173.2	0	0	0	113	L512 E513	L509-L512 WeakPolarHBondContact O-CB 3.21Å; L509-L512 PolarHBondContact O-N 3.43Å; L509-E513 PolarHBondContact O-N 3.12Å; L509-E513 VanDerWaalsContact O-N 3.09Å
510	D	82.6	Confident	86.1	Confident	132 Å²	132	67.2 Å²	67.2	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-67.9	-43.3	177.7	-64.6	-25.4	0	0	0	111	Q508 L512 E513 E514	Q508-D510 VanDerWaalsContact C-N 3.32Å; Q508-D510 PolarHBondContact O-N 2.91Å; D510-L512 VanDerWaalsContact C-N 3.28Å; D510-L512 PolarHBondContact O-N 3.2Å; D510-E513 PolarHBondContact O-N 3.21Å; D510-E514 PolarHBondContact O-N 3.22Å; D510-E514 VanDerWaalsContact O-N 3.09Å
511	D	88.5	Confident	86	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-36.8	174.4	-62.1	-24.7	0	0	0	111.7	I507 Q508 T515	I507-D511 HydrophobicContact CG2-CB 3.94Å; Q508-D511 HydrophobicContact CB-CB 4.43Å; Q508-D511 PolarHBondContact O-N 2.87Å; D511-T515 WeakPolarHBondContact O-CB 3.43Å; D511-T515 PolarHBondContact O-N 3.49Å; D511-T515 PolarHBondContact O-OG1 2.88Å
512	L	89.1	Confident	86.2	Confident	7 Å²	7	68.5 Å²	68.5	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.5	176.1	63.8	0	0	0	110.9	L499 I507 Q508 L509 D510 T515 L516 V550 A554	L499-L512 HydrophobicContact CB-CD1 3.89Å; I507-L512 HydrophobicContact CG2-CB 4.09Å; Q508-L512 WeakPolarHBondContact O-CB 3.3Å; Q508-L512 PolarHBondContact O-N 3.49Å; L509-L512 WeakPolarHBondContact O-CB 3.21Å; L509-L512 PolarHBondContact O-N 3.43Å; D510-L512 VanDerWaalsContact C-N 3.28Å; D510-L512 PolarHBondContact O-N 3.2Å; L512-T515 PolarHBondContact O-N 3.17Å; L512-L516 HydrophobicContact CD1-CD1 4.43Å; L512-L516 HydrophobicContact CD1-CG 4.29Å; L512-L516 HydrophobicContact CG-CD1 4.24Å; L512-L516 HydrophobicContact CG-CG 4.49Å; L512-L516 WeakPolarHBondContact O-CB 3.3Å; L512-L516 VanDerWaalsContact O-CG 3.28Å; L512-L516 WeakPolarHBondContact O-CG 3.41Å; L512-L516 PolarHBondContact O-N 3.14Å; L512-V550 HydrophobicContact CD2-CG1 4Å; L512-A554 HydrophobicContact CD2-CB 4.04Å
513	E	91.4	Very high	86.8	Confident	80 Å²	80	64.7 Å²	64.7	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-40.4	179.7	-177.5	66	-175.6	0	0	111.8	L509 D510 L516 G517 S557 K561	L509-E513 PolarHBondContact O-N 3.12Å; L509-E513 VanDerWaalsContact O-N 3.09Å; D510-E513 PolarHBondContact O-N 3.21Å; E513-L516 PolarHBondContact O-N 3.39Å; E513-G517 PolarHBondContact O-N 3.23Å; E513-S557 PolarHBondContact OE1-OG 3.12Å; E513-S557 VanDerWaalsContact OE1-OG 3.07Å; E513-S557 PolarHBondContact OE2-OG 3.34Å; E513-K561 IonicContact OE1-NZ 2.94Å; E513-K561 PolarHBondContact OE1-NZ 3.27Å; E513-K561 IonicContact OE2-NZ 3.88Å; E513-K561 PolarHBondContact OE2-NZ 3.38Å; E513-K561 VanDerWaalsContact OE2-NZ 3.08Å
514	E	92.1	Very high	87.6	Confident	124 Å²	124	67.9 Å²	67.9	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-46.3	172.5	-172.3	-178	166.6	0	0	111.3	D510 L516 G517 Q518	D510-E514 PolarHBondContact O-N 3.22Å; D510-E514 VanDerWaalsContact O-N 3.09Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.85Å; E514-G517 WeakPolarHBondContact O-CA 3.48Å; E514-G517 PolarHBondContact O-N 2.74Å; E514-Q518 PolarHBondContact O-N 2.7Å
515	T	90.8	Very high	88.6	Confident	26 Å²	26	68.4 Å²	68.4	16%	0.16	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-39.4	178.5	-52.4	0	0	0	0	111.3	Y495 L499 D511 L512 G517 Q518 V519	Y495-T515 HydrophobicContact CE1-CG2 4.36Å; L499-T515 HydrophobicContact CD1-CG2 3.57Å; L499-T515 HydrophobicContact CD2-CG2 4.13Å; D511-T515 WeakPolarHBondContact O-CB 3.43Å; D511-T515 PolarHBondContact O-N 3.49Å; D511-T515 PolarHBondContact O-OG1 2.88Å; L512-T515 PolarHBondContact O-N 3.17Å; T515-G517 VanDerWaalsContact C-N 3.29Å; T515-G517 PolarHBondContact O-N 3.24Å; T515-Q518 WeakPolarHBondContact O-CB 3.37Å; T515-Q518 PolarHBondContact O-N 3.4Å; T515-Q518 VanDerWaalsContact O-N 3.12Å; T515-V519 WeakPolarHBondContact O-CG2 3.41Å; T515-V519 PolarHBondContact O-N 3.36Å
516	L	93.2	Very high	89.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-34.2	173.1	-70.3	175.4	0	0	0	111.8	L499 L500 L512 E513 E514 Q518 V519 M520 M558	L499-L516 HydrophobicContact CD1-CD2 4.41Å; L500-L516 HydrophobicContact CD2-CD1 4.17Å; L500-L516 HydrophobicContact CD2-CD2 4.47Å; L500-L516 HydrophobicContact CG-CD2 4.41Å; L512-L516 HydrophobicContact CD1-CD1 4.43Å; L512-L516 HydrophobicContact CD1-CG 4.29Å; L512-L516 HydrophobicContact CG-CD1 4.24Å; L512-L516 HydrophobicContact CG-CG 4.49Å; L512-L516 WeakPolarHBondContact O-CB 3.3Å; L512-L516 VanDerWaalsContact O-CG 3.28Å; L512-L516 WeakPolarHBondContact O-CG 3.41Å; L512-L516 PolarHBondContact O-N 3.14Å; E513-L516 PolarHBondContact O-N 3.39Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.85Å; L516-Q518 VanDerWaalsContact C-N 3.35Å; L516-V519 WeakPolarHBondContact O-CB 3.28Å; L516-V519 PolarHBondContact O-N 3.27Å; L516-M520 WeakPolarHBondContact O-CG 3.36Å; L516-M520 PolarHBondContact O-N 2.72Å; L516-M558 HydrophobicContact CD2-SD 4.03Å
517	G	94.5	Very high	90.8	Very high	24 Å²	24	55 Å²	55	25%	0.247	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-44.5	168.6	0	0	0	0	0	112.3	E513 E514 T515 M520 N521	E513-G517 PolarHBondContact O-N 3.23Å; E514-G517 WeakPolarHBondContact O-CA 3.48Å; E514-G517 PolarHBondContact O-N 2.74Å; T515-G517 VanDerWaalsContact C-N 3.29Å; T515-G517 PolarHBondContact O-N 3.24Å; G517-M520 WeakPolarHBondContact O-CB 3.47Å; G517-M520 PolarHBondContact O-N 3.18Å; G517-M520 VanDerWaalsContact O-N 3.13Å; G517-N521 PolarHBondContact O-N 2.95Å
518	Q	92.5	Very high	91.4	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-39.1	175.6	-65.1	176.8	4.4	0	0	112.5	L441 E514 T515 L516 M520 N521 V522	L441-Q518 HydrophobicContact CD1-CB 3.91Å; L441-Q518 HydrophobicContact CD2-CB 3.8Å; L441-Q518 HydrophobicContact CD2-CG 4.49Å; E514-Q518 PolarHBondContact O-N 2.7Å; T515-Q518 WeakPolarHBondContact O-CB 3.37Å; T515-Q518 PolarHBondContact O-N 3.4Å; T515-Q518 VanDerWaalsContact O-N 3.12Å; L516-Q518 VanDerWaalsContact C-N 3.35Å; Q518-M520 PolarHBondContact O-N 2.75Å; Q518-N521 WeakPolarHBondContact O-CB 3.4Å; Q518-N521 PolarHBondContact O-N 3.07Å; Q518-N521 VanDerWaalsContact O-N 3.13Å; Q518-V522 PolarHBondContact O-N 2.94Å; Q518-V522 VanDerWaalsContact O-N 3.1Å
519	V	94.3	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-41.8	171.3	170.8	0	0	0	0	110.8	L492 Y495 A496 L499 T515 L516 V522 F523 M558	L492-V519 HydrophobicContact CD1-CG1 3.92Å; L492-V519 HydrophobicContact CG-CG1 4.3Å; Y495-V519 HydrophobicContact CD1-CG2 3.7Å; Y495-V519 HydrophobicContact CE1-CG2 3.73Å; A496-V519 HydrophobicContact CB-CG1 4.28Å; L499-V519 HydrophobicContact CD1-CG2 4.04Å; T515-V519 WeakPolarHBondContact O-CG2 3.41Å; T515-V519 PolarHBondContact O-N 3.36Å; L516-V519 WeakPolarHBondContact O-CB 3.28Å; L516-V519 PolarHBondContact O-N 3.27Å; V519-V522 PolarHBondContact O-N 3.39Å; V519-F523 WeakPolarHBondContact O-CB 3.37Å; V519-F523 PolarHBondContact O-N 3.01Å; V519-M558 HydrophobicContact CG1-CE 3.98Å
520	M	95.6	Very high	92.7	Very high	25 Å²	25	44.1 Å²	44.1	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-31.6	177.5	-69.8	-57.5	-56.7	0	0	113.1	L516 G517 Q518 F523 R524 M558 K561 L562 A565	L516-M520 WeakPolarHBondContact O-CG 3.36Å; L516-M520 PolarHBondContact O-N 2.72Å; G517-M520 WeakPolarHBondContact O-CB 3.47Å; G517-M520 PolarHBondContact O-N 3.18Å; G517-M520 VanDerWaalsContact O-N 3.13Å; Q518-M520 PolarHBondContact O-N 2.75Å; M520-F523 HydrophobicContact CE-CB 4.46Å; M520-F523 HydrophobicContact CE-CD1 3.49Å; M520-F523 VanDerWaalsContact CE-CD1 3.49Å; M520-F523 HydrophobicContact CE-CE1 4.06Å; M520-F523 HydrophobicContact CE-CG 4.21Å; M520-F523 WeakPolarHBondContact O-CB 3.24Å; M520-F523 PolarHBondContact O-N 3.46Å; M520-F523 HydrophobicContact SD-CB 4.34Å; M520-F523 HydrophobicContact SD-CD1 4.24Å; M520-F523 HydrophobicContact SD-CG 4.4Å; M520-R524 PolarHBondContact O-N 2.88Å; M520-M558 HydrophobicContact CG-SD 4.44Å; M520-M558 HydrophobicContact SD-CE 3.76Å; M520-M558 HydrophobicContact SD-SD 4.22Å; M520-K561 HydrophobicContact CE-CB 4.19Å; M520-K561 HydrophobicContact CG-CB 3.88Å; M520-K561 HydrophobicContact CG-CD 3.8Å; M520-K561 HydrophobicContact CG-CG 4.47Å; M520-K561 HydrophobicContact SD-CB 4.14Å; M520-L562 HydrophobicContact CE-CD2 4.04Å; M520-L562 HydrophobicContact SD-CD2 3.81Å; M520-L562 HydrophobicContact SD-CG 4.33Å; M520-A565 HydrophobicContact CE-CB 3.83Å
521	N	93	Very high	93.3	Very high	82 Å²	82	37.8 Å²	37.8	44%	0.439	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-44.1	171.7	-67.1	-20.3	0	0	0	111.1	G517 Q518 R524 Y525	G517-N521 PolarHBondContact O-N 2.95Å; Q518-N521 WeakPolarHBondContact O-CB 3.4Å; Q518-N521 PolarHBondContact O-N 3.07Å; Q518-N521 VanDerWaalsContact O-N 3.13Å; N521-R524 WeakPolarHBondContact O-CB 3.47Å; N521-R524 PolarHBondContact O-N 2.75Å; N521-Y525 VanDerWaalsContact O-CD2 3.24Å; N521-Y525 WeakPolarHBondContact O-CD2 3.39Å; N521-Y525 VanDerWaalsContact O-CE2 3.29Å; N521-Y525 WeakPolarHBondContact O-CE2 3.31Å
522	V	96.1	Very high	93.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-41.3	174.5	-178.6	0	0	0	0	111.2	I437 I440 L441 I473 L492 Q518 V519 R524 Y525	I437-V522 HydrophobicContact CD1-CG1 4.39Å; I440-V522 HydrophobicContact CD1-CG1 4.45Å; I440-V522 HydrophobicContact CG2-CG1 4.13Å; I440-V522 HydrophobicContact CG2-CG2 3.87Å; L441-V522 HydrophobicContact CD2-CG2 3.61Å; L441-V522 HydrophobicContact CG-CG2 4.11Å; I473-V522 HydrophobicContact CD1-CG1 4.44Å; I473-V522 HydrophobicContact CG2-CG1 4.44Å; L492-V522 HydrophobicContact CD1-CB 3.97Å; L492-V522 HydrophobicContact CD1-CG1 3.92Å; L492-V522 HydrophobicContact CD2-CG1 4.26Å; Q518-V522 PolarHBondContact O-N 2.94Å; Q518-V522 VanDerWaalsContact O-N 3.1Å; V519-V522 PolarHBondContact O-N 3.39Å; V522-R524 PolarHBondContact O-N 3.24Å; V522-Y525 PolarHBondContact O-N 3.31Å; V522-Y525 VanDerWaalsContact O-N 3.07Å
523	F	96.4	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-34.7	178.9	176.5	-101.9	0	0	0	113	L492 V519 M520 Y525 I526 K529 F532 L562 A565 C566 Y570	L492-F523 HydrophobicContact CD2-CB 3.9Å; L492-F523 HydrophobicContact CD2-CD2 4.3Å; V519-F523 WeakPolarHBondContact O-CB 3.37Å; V519-F523 PolarHBondContact O-N 3.01Å; M520-F523 HydrophobicContact CE-CB 4.46Å; M520-F523 HydrophobicContact CE-CD1 3.49Å; M520-F523 VanDerWaalsContact CE-CD1 3.49Å; M520-F523 HydrophobicContact CE-CE1 4.06Å; M520-F523 HydrophobicContact CE-CG 4.21Å; M520-F523 WeakPolarHBondContact O-CB 3.24Å; M520-F523 PolarHBondContact O-N 3.46Å; M520-F523 HydrophobicContact SD-CB 4.34Å; M520-F523 HydrophobicContact SD-CD1 4.24Å; M520-F523 HydrophobicContact SD-CG 4.4Å; F523-Y525 PolarHBondContact O-N 3.5Å; F523-I526 WeakPolarHBondContact O-CB 3.41Å; F523-I526 PolarHBondContact O-N 3.03Å; F523-I526 VanDerWaalsContact O-N 3.14Å; F523-K529 HydrophobicContact CE1-CD 4.05Å; F523-K529 HydrophobicContact CE2-CB 3.99Å; F523-K529 HydrophobicContact CE2-CD 4.38Å; F523-K529 HydrophobicContact CE2-CG 4.01Å; F523-K529 HydrophobicContact CZ-CB 3.91Å; F523-K529 HydrophobicContact CZ-CD 3.77Å; F523-K529 HydrophobicContact CZ-CG 3.89Å; F523-F532 HydrophobicContact CD2-CB 4.45Å; F523-F532 AromaticContact CD2-CD1 3.79Å; F523-F532 HydrophobicContact CD2-CD1 3.79Å; F523-F532 HydrophobicContact CD2-CD2 4.31Å; F523-F532 HydrophobicContact CD2-CE1 4.1Å; F523-F532 AromaticContact CD2-CG 3.92Å; F523-F532 HydrophobicContact CD2-CG 3.92Å; F523-F532 HydrophobicContact CD2-CZ 4.47Å; F523-F532 HydrophobicContact CE2-CB 4.17Å; F523-F532 AromaticContact CE2-CD1 3.47Å; F523-F532 HydrophobicContact CE2-CD1 3.47Å; F523-F532 VanDerWaalsContact CE2-CD1 3.47Å; F523-F532 HydrophobicContact CE2-CE1 4.04Å; F523-F532 AromaticContact CE2-CG 3.86Å; F523-F532 HydrophobicContact CE2-CG 3.86Å; F523-F532 HydrophobicContact CZ-CD1 4.49Å; F523-L562 HydrophobicContact CD1-CD2 4.48Å; F523-L562 HydrophobicContact CE1-CD2 4.16Å; F523-L562 HydrophobicContact CE2-CD2 4.32Å; F523-L562 HydrophobicContact CZ-CD2 4.08Å; F523-A565 HydrophobicContact CD1-CB 4.41Å; F523-A565 HydrophobicContact CE1-CB 4Å; F523-C566 VanDerWaalsContact CZ-SG 3.59Å; F523-Y570 WeakPolarHBondContact CE2-OH 3.49Å; F523-Y570 HydrophobicContact CZ-CE1 4.32Å; F523-Y570 WeakPolarHBondContact CZ-OH 3.34Å
524	R	94.2	Very high	94.1	Very high	155 Å²	155	33.8 Å²	33.8	59%	0.585	16%	0.162	S	C	*	.	H	α-helix	trans	-53.2	-41.8	175.9	177.8	177.4	167.2	160.2	-8.9	111.9	D466 M520 N521 V522 I526 K529	D466-R524 IonicContact OD2-CZ 2.64Å; D466-R524 IonicContact OD2-NE 3.17Å; D466-R524 IonicContact OD2-NH2 3.69Å; D466-R524 PolarHBondContact OD2-NH2 3.21Å; M520-R524 PolarHBondContact O-N 2.88Å; N521-R524 WeakPolarHBondContact O-CB 3.47Å; N521-R524 PolarHBondContact O-N 2.75Å; V522-R524 PolarHBondContact O-N 3.24Å; R524-I526 VanDerWaalsContact C-N 3.35Å; R524-K529 PolarHBondContact O-NZ 3.34Å
525	Y	95.4	Very high	94.3	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.075	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.6	-176.3	-54.6	-58.1	0	0	0	114.2	H444 D466 C469 I473 N474 N521 V522 F523 E527	H444-Y525 AromaticContact CD2-CE2 3.6Å; H444-Y525 AromaticContact CD2-CZ 3.87Å; H444-Y525 PolarHBondContact CD2-OH 2.62Å; H444-Y525 AromaticContact NE2-CE2 3.81Å; H444-Y525 AromaticContact NE2-CZ 3.8Å; H444-Y525 PolarHBondContact NE2-OH 2.76Å; D466-Y525 HydrophobicContact CB-CE1 4.06Å; D466-Y525 PolarHBondContact OD1-OH 3.03Å; C469-Y525 HydrophobicContact CB-CD1 3.89Å; C469-Y525 HydrophobicContact CB-CD2 3.96Å; C469-Y525 HydrophobicContact CB-CE1 3.93Å; C469-Y525 HydrophobicContact CB-CE2 3.97Å; C469-Y525 HydrophobicContact CB-CG 3.92Å; I473-Y525 HydrophobicContact CD1-CD2 3.57Å; I473-Y525 HydrophobicContact CD1-CG 3.91Å; N474-Y525 PolarHBondContact ND2-O 3.2Å; N521-Y525 VanDerWaalsContact O-CD2 3.24Å; N521-Y525 WeakPolarHBondContact O-CD2 3.39Å; N521-Y525 VanDerWaalsContact O-CE2 3.29Å; N521-Y525 WeakPolarHBondContact O-CE2 3.31Å; V522-Y525 PolarHBondContact O-N 3.31Å; V522-Y525 VanDerWaalsContact O-N 3.07Å; F523-Y525 PolarHBondContact O-N 3.5Å; Y525-E527 PolarHBondContact O-N 2.92Å
526	I	95.2	Very high	94.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.13	C	C	.	.			trans	-72.7	124.9	178.5	-63.6	-65.2	0	0	0	110.2	I473 P489 L492 F523 R524 K529	I473-I526 HydrophobicContact CG2-CD1 3.76Å; P489-I526 HydrophobicContact CB-CG2 3.89Å; P489-I526 HydrophobicContact CG-CG2 4.28Å; L492-I526 HydrophobicContact CD2-CD1 4.39Å; L492-I526 HydrophobicContact CD2-CG1 3.9Å; F523-I526 WeakPolarHBondContact O-CB 3.41Å; F523-I526 PolarHBondContact O-N 3.03Å; F523-I526 VanDerWaalsContact O-N 3.14Å; R524-I526 VanDerWaalsContact C-N 3.35Å; I526-K529 HydrophobicContact CB-CG 4.42Å; I526-K529 HydrophobicContact CG2-CG 4.29Å; I526-K529 VanDerWaalsContact O-CG 3.32Å; I526-K529 WeakPolarHBondContact O-CG 3.47Å; I526-K529 PolarHBondContact O-NZ 3.1Å
527	E	91.8	Very high	94.7	Very high	33 Å²	33	27.9 Å²	27.9	15%	0.154	13%	0.134	C	C	.	.	S	Bend	trans	-71.2	-49.7	175	-77	-171.5	142.6	0	0	111.2	E470 N474 Y525 K529 F829 K830	E470-E527 HydrophobicContact CG-CG 4.49Å; N474-E527 PolarHBondContact OD1-N 3.21Å; Y525-E527 PolarHBondContact O-N 2.92Å; E527-K529 PolarHBondContact O-N 3.36Å; E527-F829 WeakPolarHBondContact O-CA 3.42Å; E527-K830 WeakPolarHBondContact OE1-CD 3.4Å; E527-K830 IonicContact OE1-NZ 3.38Å; E527-K830 PolarHBondContact OE1-NZ 3.4Å
528	D	92.1	Very high	94.6	Very high	22 Å²	22	28 Å²	28	12%	0.118	13%	0.128	C	C	.	.			trans	-92	66	-175.9	-80.3	-27.2	0	0	0	112	D530 V531 R794	D528-D530 VanDerWaalsContact C-N 3.29Å; D528-D530 PolarHBondContact O-N 3.47Å; D528-V531 HydrophobicContact CB-CB 4.41Å; D528-V531 HydrophobicContact CB-CG2 3.9Å; D528-V531 WeakPolarHBondContact O-CB 3.42Å; D528-V531 PolarHBondContact O-N 3.46Å; D528-V531 VanDerWaalsContact O-N 3.14Å; D528-R794 IonicContact OD1-CZ 2.78Å; D528-R794 IonicContact OD1-NH1 3.73Å; D528-R794 PolarHBondContact OD1-NH1 3.19Å; D528-R794 IonicContact OD1-NH2 2.8Å; D528-R794 PolarHBondContact OD1-NH2 2.93Å; D528-R794 IonicContact OD2-NH1 3.72Å; D528-R794 IonicContact OD2-NH2 3.05Å; D528-R794 PolarHBondContact OD2-NH2 2.77Å
529	K	94.5	Very high	94.7	Very high	36 Å²	36	26.3 Å²	26.3	16%	0.157	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-32.8	-175.5	-63	179.6	169.7	66.5	0	112.9	F523 R524 I526 E527 V531 F532 Q533 Y570 R828	F523-K529 HydrophobicContact CE1-CD 4.05Å; F523-K529 HydrophobicContact CE2-CB 3.99Å; F523-K529 HydrophobicContact CE2-CD 4.38Å; F523-K529 HydrophobicContact CE2-CG 4.01Å; F523-K529 HydrophobicContact CZ-CB 3.91Å; F523-K529 HydrophobicContact CZ-CD 3.77Å; F523-K529 HydrophobicContact CZ-CG 3.89Å; R524-K529 PolarHBondContact O-NZ 3.34Å; I526-K529 HydrophobicContact CB-CG 4.42Å; I526-K529 HydrophobicContact CG2-CG 4.29Å; I526-K529 VanDerWaalsContact O-CG 3.32Å; I526-K529 WeakPolarHBondContact O-CG 3.47Å; I526-K529 PolarHBondContact O-NZ 3.1Å; E527-K529 PolarHBondContact O-N 3.36Å; K529-V531 VanDerWaalsContact C-N 3.26Å; K529-V531 PolarHBondContact O-N 3.45Å; K529-F532 WeakPolarHBondContact O-CB 3.38Å; K529-F532 PolarHBondContact O-N 3.29Å; K529-F532 VanDerWaalsContact O-N 3.12Å; K529-Q533 PolarHBondContact O-N 3.44Å; K529-Y570 HydrophobicContact CB-CE2 4.4Å; K529-Y570 PolarHBondContact O-OH 2.68Å; K529-R828 WeakPolarHBondContact CB-O 3.25Å; K529-R828 PolarHBondContact N-O 3.31Å; K529-R828 VanDerWaalsContact N-O 3.14Å
530	D	94.1	Very high	94.8	Very high	16 Å²	16	26.3 Å²	26.3	9%	0.086	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-31.4	174.3	67.1	-27.9	0	0	0	114	D528 Q533 K534 V790 R794 R828 F829	D528-D530 VanDerWaalsContact C-N 3.29Å; D528-D530 PolarHBondContact O-N 3.47Å; D530-Q533 WeakPolarHBondContact O-CB 3.32Å; D530-Q533 PolarHBondContact O-N 3.42Å; D530-K534 PolarHBondContact O-N 2.84Å; D530-V790 WeakPolarHBondContact OD2-CG1 3.49Å; D530-R794 IonicContact OD1-CZ 3.35Å; D530-R794 IonicContact OD1-NE 3.78Å; D530-R794 IonicContact OD1-NH2 2.8Å; D530-R794 PolarHBondContact OD1-NH2 3.39Å; D530-R794 WeakPolarHBondContact OD2-CG 3.31Å; D530-R794 IonicContact OD2-CZ 3.43Å; D530-R794 IonicContact OD2-NE 3.35Å; D530-R794 PolarHBondContact OD2-NE 3.34Å; D530-R794 IonicContact OD2-NH2 3.28Å; D530-R794 PolarHBondContact OD2-NH2 3.09Å; D530-R828 PolarHBondContact N-O 2.98Å; D530-R828 VanDerWaalsContact N-O 3.17Å; D530-F829 HydrophobicContact CB-CD1 4.46Å
531	V	95.4	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-49.7	172.6	177	0	0	0	0	109.7	R486 P489 D528 K529 Q533 K534 F535 L787 V790	R486-V531 HydrophobicContact CB-CG1 4.18Å; R486-V531 HydrophobicContact CB-CG2 4.42Å; R486-V531 HydrophobicContact CG-CG2 4.14Å; P489-V531 HydrophobicContact CB-CB 4.06Å; P489-V531 HydrophobicContact CB-CG1 4.04Å; P489-V531 HydrophobicContact CG-CB 3.87Å; P489-V531 HydrophobicContact CG-CG1 3.77Å; D528-V531 HydrophobicContact CB-CB 4.41Å; D528-V531 HydrophobicContact CB-CG2 3.9Å; D528-V531 WeakPolarHBondContact O-CB 3.42Å; D528-V531 PolarHBondContact O-N 3.46Å; D528-V531 VanDerWaalsContact O-N 3.14Å; K529-V531 VanDerWaalsContact C-N 3.26Å; K529-V531 PolarHBondContact O-N 3.45Å; V531-Q533 VanDerWaalsContact C-N 3.3Å; V531-Q533 PolarHBondContact O-N 3.29Å; V531-K534 PolarHBondContact O-N 3.07Å; V531-F535 HydrophobicContact CG1-CD2 3.74Å; V531-F535 HydrophobicContact CG1-CE2 3.7Å; V531-F535 VanDerWaalsContact O-CD2 3.3Å; V531-F535 WeakPolarHBondContact O-CD2 3.41Å; V531-F535 PolarHBondContact O-N 3.18Å; V531-F535 VanDerWaalsContact O-N 3.12Å; V531-L787 HydrophobicContact CG1-CD2 4.32Å; V531-V790 HydrophobicContact CG2-CG1 4Å
532	F	96.3	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-47.5	174.4	171.3	-84.6	0	0	0	110.2	P489 L492 A493 F523 K529 K534 F535 Y536 M558 L562	P489-F532 HydrophobicContact CB-CB 3.83Å; L492-F532 HydrophobicContact CB-CD2 4.03Å; L492-F532 HydrophobicContact CB-CE2 4.22Å; L492-F532 HydrophobicContact CD2-CD2 3.9Å; L492-F532 HydrophobicContact CD2-CE2 4Å; L492-F532 HydrophobicContact CG-CD2 3.95Å; L492-F532 HydrophobicContact CG-CE2 3.77Å; A493-F532 HydrophobicContact CB-CD2 3.72Å; A493-F532 HydrophobicContact CB-CE2 3.89Å; A493-F532 HydrophobicContact CB-CG 4.42Å; F523-F532 HydrophobicContact CD2-CB 4.45Å; F523-F532 AromaticContact CD2-CD1 3.79Å; F523-F532 HydrophobicContact CD2-CD1 3.79Å; F523-F532 HydrophobicContact CD2-CD2 4.31Å; F523-F532 HydrophobicContact CD2-CE1 4.1Å; F523-F532 AromaticContact CD2-CG 3.92Å; F523-F532 HydrophobicContact CD2-CG 3.92Å; F523-F532 HydrophobicContact CD2-CZ 4.47Å; F523-F532 HydrophobicContact CE2-CB 4.17Å; F523-F532 AromaticContact CE2-CD1 3.47Å; F523-F532 HydrophobicContact CE2-CD1 3.47Å; F523-F532 VanDerWaalsContact CE2-CD1 3.47Å; F523-F532 HydrophobicContact CE2-CE1 4.04Å; F523-F532 AromaticContact CE2-CG 3.86Å; F523-F532 HydrophobicContact CE2-CG 3.86Å; F523-F532 HydrophobicContact CZ-CD1 4.49Å; K529-F532 WeakPolarHBondContact O-CB 3.38Å; K529-F532 PolarHBondContact O-N 3.29Å; K529-F532 VanDerWaalsContact O-N 3.12Å; F532-K534 VanDerWaalsContact C-N 3.29Å; F532-K534 PolarHBondContact O-N 3.05Å; F532-F535 PolarHBondContact O-N 3.2Å; F532-Y536 HydrophobicContact CE1-CD2 4.11Å; F532-Y536 HydrophobicContact CE1-CG 4.08Å; F532-Y536 AromaticContact CZ-CD2 3.78Å; F532-Y536 HydrophobicContact CZ-CD2 3.78Å; F532-Y536 HydrophobicContact CZ-CG 4.2Å; F532-Y536 WeakPolarHBondContact O-CB 3.24Å; F532-Y536 PolarHBondContact O-N 2.94Å; F532-M558 HydrophobicContact CZ-CE 4.12Å; F532-L562 HydrophobicContact CD1-CD2 4.46Å; F532-L562 HydrophobicContact CE1-CD1 4.24Å; F532-L562 HydrophobicContact CE1-CD2 3.69Å; F532-L562 HydrophobicContact CZ-CD2 4.45Å
533	Q	95.4	Very high	94.5	Very high	39 Å²	39	24.5 Å²	24.5	18%	0.182	11%	0.107	C	C	.	.	H	α-helix	trans	-52.8	-46.3	178.7	-162.1	-167.3	-8.7	0	0	112	K529 D530 V531 S537 Y570	K529-Q533 PolarHBondContact O-N 3.44Å; D530-Q533 WeakPolarHBondContact O-CB 3.32Å; D530-Q533 PolarHBondContact O-N 3.42Å; V531-Q533 VanDerWaalsContact C-N 3.3Å; V531-Q533 PolarHBondContact O-N 3.29Å; Q533-S537 WeakPolarHBondContact O-CB 3.44Å; Q533-S537 PolarHBondContact O-N 3.04Å; Q533-Y570 HydrophobicContact CB-CE1 4.18Å; Q533-Y570 HydrophobicContact CB-CE2 3.7Å; Q533-Y570 VanDerWaalsContact CB-CZ 3.49Å; Q533-Y570 WeakPolarHBondContact CB-OH 3.33Å; Q533-Y570 HydrophobicContact CG-CD1 4.24Å; Q533-Y570 HydrophobicContact CG-CD2 4.17Å; Q533-Y570 HydrophobicContact CG-CE1 3.83Å; Q533-Y570 HydrophobicContact CG-CE2 3.74Å; Q533-Y570 HydrophobicContact CG-CG 4.41Å; Q533-Y570 PolarHBondContact NE2-O 3.16Å
534	K	94.2	Very high	94.4	Very high	42 Å²	42	25.5 Å²	25.5	18%	0.183	11%	0.112	C	C	.	.	H	α-helix	trans	-70.3	-44.8	-175.7	-160.5	77.7	172.6	-163.1	0	111.7	D530 V531 F532 S537 K538 T786 V790 D793	D530-K534 PolarHBondContact O-N 2.84Å; V531-K534 PolarHBondContact O-N 3.07Å; F532-K534 VanDerWaalsContact C-N 3.29Å; F532-K534 PolarHBondContact O-N 3.05Å; K534-S537 PolarHBondContact O-N 2.99Å; K534-K538 WeakPolarHBondContact O-CB 3.29Å; K534-K538 PolarHBondContact O-N 2.88Å; K534-K538 VanDerWaalsContact O-N 3.08Å; K534-T786 HydrophobicContact CB-CG2 4.06Å; K534-T786 HydrophobicContact CG-CG2 3.63Å; K534-V790 HydrophobicContact CB-CG2 3.65Å; K534-V790 HydrophobicContact CG-CG2 3.9Å; K534-D793 IonicContact NZ-OD2 2.87Å; K534-D793 PolarHBondContact NZ-OD2 2.67Å
535	F	95.1	Very high	94.3	Very high	13 Å²	13	18.8 Å²	18.8	6%	0.057	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-45.6	174.9	-80.5	-72	0	0	0	111.4	E490 A493 V531 F532 K538 T539 I783 T786 L787	E490-F535 HydrophobicContact CB-CD2 4.06Å; E490-F535 HydrophobicContact CB-CE2 3.91Å; E490-F535 HydrophobicContact CB-CZ 4.27Å; E490-F535 HydrophobicContact CG-CD1 4.19Å; E490-F535 HydrophobicContact CG-CD2 4.22Å; E490-F535 HydrophobicContact CG-CE1 3.95Å; E490-F535 HydrophobicContact CG-CE2 3.98Å; E490-F535 HydrophobicContact CG-CG 4.34Å; E490-F535 HydrophobicContact CG-CZ 3.84Å; A493-F535 HydrophobicContact CB-CB 3.61Å; V531-F535 HydrophobicContact CG1-CD2 3.74Å; V531-F535 HydrophobicContact CG1-CE2 3.7Å; V531-F535 VanDerWaalsContact O-CD2 3.3Å; V531-F535 WeakPolarHBondContact O-CD2 3.41Å; V531-F535 PolarHBondContact O-N 3.18Å; V531-F535 VanDerWaalsContact O-N 3.12Å; F532-F535 PolarHBondContact O-N 3.2Å; F535-K538 PolarHBondContact O-N 2.99Å; F535-T539 PolarHBondContact O-N 3.29Å; F535-T539 PolarHBondContact O-OG1 3.38Å; F535-I783 HydrophobicContact CE1-CG1 4.39Å; F535-I783 HydrophobicContact CZ-CG2 4.19Å; F535-T786 HydrophobicContact CD1-CG2 3.94Å; F535-T786 HydrophobicContact CD2-CG2 4.23Å; F535-T786 HydrophobicContact CE1-CG2 3.83Å; F535-T786 HydrophobicContact CE2-CG2 4.13Å; F535-T786 HydrophobicContact CG-CG2 4.12Å; F535-T786 HydrophobicContact CZ-CG2 3.93Å; F535-L787 HydrophobicContact CE2-CD2 3.98Å; F535-L787 HydrophobicContact CZ-CD2 4.25Å; F535-L787 HydrophobicContact CZ-CG 4.35Å
536	Y	96.7	Very high	94	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-45.2	177	-174.2	-87.8	0	0	0	111.8	A496 L500 F532 K538 T539 L540 M558 L562 L574	A496-Y536 HydrophobicContact CB-CD2 4.23Å; A496-Y536 HydrophobicContact CB-CE2 4.11Å; L500-Y536 HydrophobicContact CD1-CE2 4.13Å; L500-Y536 WeakPolarHBondContact CD1-OH 3.48Å; F532-Y536 HydrophobicContact CE1-CD2 4.11Å; F532-Y536 HydrophobicContact CE1-CG 4.08Å; F532-Y536 AromaticContact CZ-CD2 3.78Å; F532-Y536 HydrophobicContact CZ-CD2 3.78Å; F532-Y536 HydrophobicContact CZ-CG 4.2Å; F532-Y536 WeakPolarHBondContact O-CB 3.24Å; F532-Y536 PolarHBondContact O-N 2.94Å; Y536-K538 VanDerWaalsContact C-N 3.27Å; Y536-K538 PolarHBondContact O-N 3.09Å; Y536-T539 PolarHBondContact O-N 3.19Å; Y536-T539 PolarHBondContact O-OG1 2.76Å; Y536-T539 VanDerWaalsContact O-OG1 3.08Å; Y536-L540 HydrophobicContact CE1-CB 4.28Å; Y536-L540 HydrophobicContact CE1-CD2 4.23Å; Y536-L540 WeakPolarHBondContact O-CB 3.26Å; Y536-L540 PolarHBondContact O-N 3.46Å; Y536-M558 HydrophobicContact CE2-CE 4.28Å; Y536-M558 HydrophobicContact CE2-CG 4.01Å; Y536-M558 WeakPolarHBondContact OH-CG 3.47Å; Y536-L562 HydrophobicContact CD1-CD1 4.15Å; Y536-L562 HydrophobicContact CE1-CD1 4.02Å; Y536-L574 HydrophobicContact CD1-CD1 4.04Å; Y536-L574 HydrophobicContact CD1-CD2 4.48Å; Y536-L574 HydrophobicContact CE1-CD1 4.1Å
537	S	95.5	Very high	93.7	Very high	12 Å²	12	24.4 Å²	24.4	8%	0.084	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-40.5	176.9	-179.9	0	0	0	0	111.8	Q533 K534 A541 M577	Q533-S537 WeakPolarHBondContact O-CB 3.44Å; Q533-S537 PolarHBondContact O-N 3.04Å; K534-S537 PolarHBondContact O-N 2.99Å; S537-A541 WeakPolarHBondContact O-CB 3.39Å; S537-A541 PolarHBondContact O-N 2.89Å; S537-M577 WeakPolarHBondContact OG-CE 3.33Å
538	K	93	Very high	93.6	Very high	27 Å²	27	25.9 Å²	25.9	12%	0.117	12%	0.123	C	C	.	.	H	α-helix	trans	-68.9	-45.4	178.3	-171.5	-179.8	-171.5	176.7	0	112.6	K534 F535 Y536 A541 R542 P622 E782 T786	K534-K538 WeakPolarHBondContact O-CB 3.29Å; K534-K538 PolarHBondContact O-N 2.88Å; K534-K538 VanDerWaalsContact O-N 3.08Å; F535-K538 PolarHBondContact O-N 2.99Å; Y536-K538 VanDerWaalsContact C-N 3.27Å; Y536-K538 PolarHBondContact O-N 3.09Å; K538-A541 PolarHBondContact O-N 3.02Å; K538-R542 PolarHBondContact O-N 3.33Å; K538-R542 VanDerWaalsContact O-N 3.12Å; K538-P622 HydrophobicContact CB-CG 4.34Å; K538-E782 WeakPolarHBondContact CE-OE2 3.31Å; K538-E782 PolarHBondContact NZ-O 2.69Å; K538-E782 IonicContact NZ-OE2 3.37Å; K538-E782 PolarHBondContact NZ-OE2 3.32Å; K538-E782 VanDerWaalsContact NZ-OE2 3.12Å; K538-T786 PolarHBondContact NZ-OG1 3.4Å
539	T	93.6	Very high	93.6	Very high	25 Å²	25	25.5 Å²	25.5	15%	0.153	12%	0.123	C	C	.	.	H	α-helix	trans	-69.6	-40.9	179	55.6	0	0	0	0	111.4	D497 F535 Y536 A541 R542 R543	D497-T539 HydrophobicContact CB-CG2 4.04Å; D497-T539 WeakPolarHBondContact OD1-CB 3.28Å; F535-T539 PolarHBondContact O-N 3.29Å; F535-T539 PolarHBondContact O-OG1 3.38Å; Y536-T539 PolarHBondContact O-N 3.19Å; Y536-T539 PolarHBondContact O-OG1 2.76Å; Y536-T539 VanDerWaalsContact O-OG1 3.08Å; T539-A541 PolarHBondContact O-N 2.86Å; T539-R542 WeakPolarHBondContact O-CB 3.49Å; T539-R542 PolarHBondContact O-N 2.87Å; T539-R543 WeakPolarHBondContact O-CG 3.37Å; T539-R543 PolarHBondContact O-N 3.49Å; T539-R543 PolarHBondContact OG1-NH1 2.81Å
540	L	96.2	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.2	-51.7	171.2	175	66.2	0	0	0	111.2	Y536 R542 R543 L544 E555 I559 L574 M577 F578	Y536-L540 HydrophobicContact CE1-CB 4.28Å; Y536-L540 HydrophobicContact CE1-CD2 4.23Å; Y536-L540 WeakPolarHBondContact O-CB 3.26Å; Y536-L540 PolarHBondContact O-N 3.46Å; L540-R542 PolarHBondContact O-N 2.88Å; L540-R543 PolarHBondContact O-N 3.24Å; L540-L544 HydrophobicContact CD1-CD1 4.07Å; L540-L544 HydrophobicContact CD1-CD2 4.38Å; L540-L544 HydrophobicContact CD1-CG 3.98Å; L540-L544 HydrophobicContact CG-CD1 3.96Å; L540-L544 HydrophobicContact CG-CG 4.26Å; L540-L544 WeakPolarHBondContact O-CG 3.39Å; L540-L544 PolarHBondContact O-N 3Å; L540-E555 WeakPolarHBondContact CD1-OE2 3.44Å; L540-I559 HydrophobicContact CD2-CD1 4.18Å; L540-L574 HydrophobicContact CD2-CB 4.01Å; L540-L574 HydrophobicContact CD2-CD2 3.86Å; L540-L574 HydrophobicContact CD2-CG 4.39Å; L540-M577 HydrophobicContact CD2-SD 4.1Å; L540-M577 HydrophobicContact CG-SD 4.43Å; L540-F578 HydrophobicContact CD1-CE2 4.06Å; L540-F578 HydrophobicContact CD1-CZ 4.48Å; L540-F578 HydrophobicContact CD2-CE2 4.26Å
541	A	94.6	Very high	93.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-54.1	-43.7	179.1	0	0	0	0	0	111.4	S537 K538 T539 L544 V545 M577 W621 P622 F623	S537-A541 WeakPolarHBondContact O-CB 3.39Å; S537-A541 PolarHBondContact O-N 2.89Å; K538-A541 PolarHBondContact O-N 3.02Å; T539-A541 PolarHBondContact O-N 2.86Å; A541-L544 PolarHBondContact O-N 3.31Å; A541-V545 WeakPolarHBondContact O-CB 3.48Å; A541-V545 WeakPolarHBondContact O-CG2 3.41Å; A541-V545 PolarHBondContact O-N 3.04Å; A541-M577 HydrophobicContact CB-CE 4.28Å; A541-M577 HydrophobicContact CB-SD 4.16Å; A541-W621 HydrophobicContact CB-CE3 3.67Å; A541-W621 HydrophobicContact CB-CZ3 3.82Å; A541-W621 WeakPolarHBondContact O-CZ3 3.42Å; A541-P622 HydrophobicContact CB-CG 3.88Å; A541-F623 HydrophobicContact CB-CE1 4.25Å; A541-F623 HydrophobicContact CB-CE2 3.79Å; A541-F623 HydrophobicContact CB-CZ 3.51Å
542	R	91.6	Very high	93	Very high	73 Å²	73	30.5 Å²	30.5	28%	0.275	15%	0.152	S	C	.	.	H	α-helix	trans	-63.5	-45.8	174.3	-76.5	-177.3	163.4	166.8	-1.7	112.9	K538 T539 L540 L544 V545 Y546 F623 E782	K538-R542 PolarHBondContact O-N 3.33Å; K538-R542 VanDerWaalsContact O-N 3.12Å; T539-R542 WeakPolarHBondContact O-CB 3.49Å; T539-R542 PolarHBondContact O-N 2.87Å; L540-R542 PolarHBondContact O-N 2.88Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 3.12Å; R542-V545 PolarHBondContact O-N 3.41Å; R542-Y546 HydrophobicContact CB-CD2 4.15Å; R542-Y546 HydrophobicContact CB-CE2 4.24Å; R542-Y546 HydrophobicContact CG-CE2 4.2Å; R542-Y546 WeakPolarHBondContact O-CB 3.36Å; R542-Y546 WeakPolarHBondContact O-CD2 3.47Å; R542-Y546 PolarHBondContact O-N 2.88Å; R542-F623 HydrophobicContact CG-CE1 4.21Å; R542-F623 HydrophobicContact CG-CZ 4.2Å; R542-E782 IonicContact CZ-OE1 3.68Å; R542-E782 IonicContact CZ-OE2 3.23Å; R542-E782 VanDerWaalsContact CZ-OE2 3.28Å; R542-E782 IonicContact NH1-OE1 3.19Å; R542-E782 PolarHBondContact NH1-OE1 3.31Å; R542-E782 IonicContact NH1-OE2 3.19Å; R542-E782 PolarHBondContact NH1-OE2 3.14Å; R542-E782 IonicContact NH2-OE1 3.02Å; R542-E782 PolarHBondContact NH2-OE1 3.25Å; R542-E782 IonicContact NH2-OE2 3.01Å; R542-E782 PolarHBondContact NH2-OE2 3.06Å; R542-E782 VanDerWaalsContact NH2-OE2 3.17Å
543	R	93.9	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-39.3	179	-69.2	-168.3	-53.5	-85.4	4.8	111.7	D497 K501 T539 L540 N547 Q548 S549 E555	D497-R543 VanDerWaalsContact OD1-CD 3.31Å; D497-R543 WeakPolarHBondContact OD1-CD 3.22Å; D497-R543 IonicContact OD1-CZ 2.69Å; D497-R543 IonicContact OD1-NE 3.92Å; D497-R543 IonicContact OD1-NH1 3.87Å; D497-R543 PolarHBondContact OD1-NH1 3.31Å; K501-R543 HydrophobicContact CG-CG 4.15Å; T539-R543 WeakPolarHBondContact O-CG 3.37Å; T539-R543 PolarHBondContact O-N 3.49Å; T539-R543 PolarHBondContact OG1-NH1 2.81Å; L540-R543 PolarHBondContact O-N 3.24Å; R543-N547 CarbonylContact O-C 3.5Å; R543-N547 WeakPolarHBondContact O-CA 3.3Å; R543-N547 PolarHBondContact O-N 3.13Å; R543-Q548 PolarHBondContact O-N 3.04Å; R543-S549 WeakPolarHBondContact CB-OG 3.44Å; R543-E555 IonicContact CZ-OE1 2.99Å; R543-E555 IonicContact CZ-OE2 3.52Å; R543-E555 IonicContact NE-OE1 2.82Å; R543-E555 PolarHBondContact NE-OE1 2.96Å; R543-E555 IonicContact NE-OE2 2.68Å; R543-E555 IonicContact NH2-OE1 2.84Å; R543-E555 PolarHBondContact NH2-OE1 2.92Å; R543-E555 IonicContact NH2-OE2 3.28Å; R543-E555 PolarHBondContact NH2-OE2 2.89Å
544	L	93.9	Very high	92.6	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-51	175.7	-67.1	178.8	0	0	0	111.8	L540 A541 R542 Y546 N547 M577 F578 V581 W621	L540-L544 HydrophobicContact CD1-CD1 4.07Å; L540-L544 HydrophobicContact CD1-CD2 4.38Å; L540-L544 HydrophobicContact CD1-CG 3.98Å; L540-L544 HydrophobicContact CG-CD1 3.96Å; L540-L544 HydrophobicContact CG-CG 4.26Å; L540-L544 WeakPolarHBondContact O-CG 3.39Å; L540-L544 PolarHBondContact O-N 3Å; A541-L544 PolarHBondContact O-N 3.31Å; R542-L544 VanDerWaalsContact C-N 3.27Å; R542-L544 PolarHBondContact O-N 3.12Å; L544-Y546 VanDerWaalsContact C-N 3.34Å; L544-Y546 PolarHBondContact O-N 3.38Å; L544-N547 PolarHBondContact O-N 3.28Å; L544-M577 HydrophobicContact CD1-CB 3.75Å; L544-F578 HydrophobicContact CD1-CD2 4.29Å; L544-F578 HydrophobicContact CD1-CE2 4.11Å; L544-F578 HydrophobicContact CD2-CE1 4.43Å; L544-F578 HydrophobicContact CD2-CE2 4.21Å; L544-F578 HydrophobicContact CD2-CZ 3.97Å; L544-V581 HydrophobicContact CB-CG2 4.05Å; L544-V581 HydrophobicContact CD1-CG2 4.26Å; L544-W621 HydrophobicContact CB-CH2 3.89Å; L544-W621 HydrophobicContact CB-CZ3 4.29Å; L544-W621 HydrophobicContact CD1-CH2 3.97Å
545	V	91.2	Very high	92.6	Very high	14 Å²	14	33.5 Å²	33.5	9%	0.085	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-45.8	178.4	162.3	0	0	0	0	111.4	A541 R542 N547 M614 L616 W621 F623	A541-V545 WeakPolarHBondContact O-CB 3.48Å; A541-V545 WeakPolarHBondContact O-CG2 3.41Å; A541-V545 PolarHBondContact O-N 3.04Å; R542-V545 PolarHBondContact O-N 3.41Å; V545-N547 VanDerWaalsContact C-N 3.28Å; V545-N547 PolarHBondContact O-N 3.45Å; V545-M614 VanDerWaalsContact CA-CE 3.47Å; V545-M614 HydrophobicContact CB-CE 3.7Å; V545-M614 HydrophobicContact CG1-CE 3.46Å; V545-M614 VanDerWaalsContact CG1-CE 3.46Å; V545-M614 HydrophobicContact CG2-CE 3.8Å; V545-M614 HydrophobicContact CG2-SD 4.5Å; V545-M614 VanDerWaalsContact O-CE 3.31Å; V545-M614 WeakPolarHBondContact O-CE 3.4Å; V545-L616 HydrophobicContact CG2-CD1 4.02Å; V545-W621 HydrophobicContact CG2-CE3 4.45Å; V545-W621 HydrophobicContact CG2-CH2 4.38Å; V545-W621 HydrophobicContact CG2-CZ3 3.74Å; V545-F623 HydrophobicContact CG2-CE2 3.68Å; V545-F623 HydrophobicContact CG2-CZ 4.25Å
546	Y	89.1	Confident	92.6	Very high	39 Å²	39	35.2 Å²	35.2	15%	0.153	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.6	-176.3	-61.7	-51	0	0	0	114	R542 L544 Q548 L661 R663	R542-Y546 HydrophobicContact CB-CD2 4.15Å; R542-Y546 HydrophobicContact CB-CE2 4.24Å; R542-Y546 HydrophobicContact CG-CE2 4.2Å; R542-Y546 WeakPolarHBondContact O-CB 3.36Å; R542-Y546 WeakPolarHBondContact O-CD2 3.47Å; R542-Y546 PolarHBondContact O-N 2.88Å; L544-Y546 VanDerWaalsContact C-N 3.34Å; L544-Y546 PolarHBondContact O-N 3.38Å; Y546-Q548 VanDerWaalsContact C-N 3.25Å; Y546-Q548 PolarHBondContact O-N 3.04Å; Y546-L661 WeakPolarHBondContact CE1-O 3.48Å; Y546-R663 PolarHBondContact O-NH2 3.36Å
547	N	88.8	Confident	92.5	Very high	99 Å²	99	36.6 Å²	36.6	53%	0.529	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	50.8	-172.9	-171.1	6	0	0	0	111.1	K502 R543 L544 V545	K502-N547 VanDerWaalsContact CE-O 3.24Å; K502-N547 WeakPolarHBondContact CE-O 3.1Å; K502-N547 PolarHBondContact NZ-O 3.41Å; K502-N547 PolarHBondContact NZ-OD1 3.39Å; R543-N547 CarbonylContact O-C 3.5Å; R543-N547 WeakPolarHBondContact O-CA 3.3Å; R543-N547 PolarHBondContact O-N 3.13Å; L544-N547 PolarHBondContact O-N 3.28Å; V545-N547 VanDerWaalsContact C-N 3.28Å; V545-N547 PolarHBondContact O-N 3.45Å
548	Q	90.8	Very high	92.5	Very high	63 Å²	63	36 Å²	36	29%	0.294	19%	0.194	S	C	.	.			trans	-105.9	0.7	-177.9	-71.3	178	-2.7	0	0	113.2	K501 K502 R543 Y546	K501-Q548 CarbonylContact C-O 3.59Å; K501-Q548 WeakPolarHBondContact CA-O 3.28Å; K502-Q548 WeakPolarHBondContact CG-O 3.47Å; K502-Q548 PolarHBondContact N-O 3.19Å; R543-Q548 PolarHBondContact O-N 3.04Å; Y546-Q548 VanDerWaalsContact C-N 3.25Å; Y546-Q548 PolarHBondContact O-N 3.04Å
549	S	91.7	Very high	92.6	Very high	14 Å²	14	35 Å²	35	10%	0.098	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-68.3	135.9	176	-61.7	0	0	0	0	111.7	L500 K502 R543 E555	L500-S549 CarbonylContact O-C 3.51Å; L500-S549 WeakPolarHBondContact O-CA 3.38Å; K502-S549 WeakPolarHBondContact CE-O 3.37Å; K502-S549 WeakPolarHBondContact CG-O 3.37Å; R543-S549 WeakPolarHBondContact CB-OG 3.44Å; S549-E555 VanDerWaalsContact CB-OE1 3.3Å; S549-E555 WeakPolarHBondContact CB-OE1 3.47Å; S549-E555 PolarHBondContact OG-OE1 3.38Å
550	V	90.5	Very high	92.7	Very high	39 Å²	39	36.3 Å²	36.3	24%	0.236	20%	0.2	C	C	.	.	S	Bend	trans	-66.6	-39.7	179.1	66.2	0	0	0	0	112.1	L500 L512	L500-V550 PolarHBondContact O-N 3.29Å; L512-V550 HydrophobicContact CD2-CG1 4Å
551	S	89.5	Confident	92.6	Very high	27 Å²	27	37.9 Å²	37.9	19%	0.189	21%	0.207	C	C	.	.			trans	-152.9	137.3	179	171	0	0	0	0	109.8	D553 A554 E555	S551-D553 VanDerWaalsContact C-N 3.31Å; S551-D553 PolarHBondContact OG-N 3.12Å; S551-A554 PolarHBondContact OG-N 3.4Å; S551-E555 VanDerWaalsContact O-CG 3.29Å; S551-E555 WeakPolarHBondContact O-CG 3.4Å; S551-E555 PolarHBondContact O-N 3.14Å
552	E	90.7	Very high	92.6	Very high	92 Å²	92	38 Å²	38	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-34.8	172.8	-65.9	-174.3	-175.6	0	0	111.2	E555 A556 R585	E552-E555 PolarHBondContact O-N 3Å; E552-A556 WeakPolarHBondContact O-CB 3.38Å; E552-A556 PolarHBondContact O-N 3.33Å; E552-R585 IonicContact OE1-CZ 2.76Å; E552-R585 VanDerWaalsContact OE1-CZ 3.28Å; E552-R585 IonicContact OE1-NH1 2.78Å; E552-R585 PolarHBondContact OE1-NH1 2.81Å; E552-R585 IonicContact OE1-NH2 3.91Å; E552-R585 PolarHBondContact OE1-NH2 3.12Å; E552-R585 IonicContact OE2-NH1 2.83Å
553	D	92	Very high	92.8	Very high	134 Å²	134	38.6 Å²	38.6	72%	0.717	21%	0.212	S	C	*	.	H	α-helix	trans	-66.9	-40.1	178.3	-63.3	-30	0	0	0	111.6	S551 E555 A556 S557	S551-D553 VanDerWaalsContact C-N 3.31Å; S551-D553 PolarHBondContact OG-N 3.12Å; D553-E555 VanDerWaalsContact C-N 3.33Å; D553-E555 PolarHBondContact O-N 3.22Å; D553-A556 PolarHBondContact O-N 3.1Å; D553-S557 VanDerWaalsContact O-CB 3.25Å; D553-S557 WeakPolarHBondContact O-CB 3.46Å; D553-S557 PolarHBondContact O-N 3.36Å
554	A	92.7	Very high	92.7	Very high	9 Å²	9	45.7 Å²	45.7	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-38.9	176.6	0	0	0	0	0	111.7	L500 L512 S551 S557 M558	L500-A554 HydrophobicContact CD2-CB 3.91Å; L512-A554 HydrophobicContact CD2-CB 4.04Å; S551-A554 PolarHBondContact OG-N 3.4Å; A554-S557 PolarHBondContact O-N 3.15Å; A554-M558 WeakPolarHBondContact O-CB 3.39Å; A554-M558 PolarHBondContact O-N 2.83Å
555	E	93.9	Very high	92.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68	-42.3	176	-61.5	-87.3	-160.2	0	0	111.5	L540 R543 S549 S551 E552 D553 M558 I559 F578	L540-E555 WeakPolarHBondContact CD1-OE2 3.44Å; R543-E555 IonicContact CZ-OE1 2.99Å; R543-E555 IonicContact CZ-OE2 3.52Å; R543-E555 IonicContact NE-OE1 2.82Å; R543-E555 PolarHBondContact NE-OE1 2.96Å; R543-E555 IonicContact NE-OE2 2.68Å; R543-E555 IonicContact NH2-OE1 2.84Å; R543-E555 PolarHBondContact NH2-OE1 2.92Å; R543-E555 IonicContact NH2-OE2 3.28Å; R543-E555 PolarHBondContact NH2-OE2 2.89Å; S549-E555 VanDerWaalsContact CB-OE1 3.3Å; S549-E555 WeakPolarHBondContact CB-OE1 3.47Å; S549-E555 PolarHBondContact OG-OE1 3.38Å; S551-E555 VanDerWaalsContact O-CG 3.29Å; S551-E555 WeakPolarHBondContact O-CG 3.4Å; S551-E555 PolarHBondContact O-N 3.14Å; E552-E555 PolarHBondContact O-N 3Å; D553-E555 VanDerWaalsContact C-N 3.33Å; D553-E555 PolarHBondContact O-N 3.22Å; E555-M558 PolarHBondContact O-N 3.37Å; E555-I559 VanDerWaalsContact O-CG1 3.31Å; E555-I559 WeakPolarHBondContact O-CG1 3.39Å; E555-I559 PolarHBondContact O-N 3.45Å; E555-F578 HydrophobicContact CB-CE1 4.25Å; E555-F578 HydrophobicContact CB-CE2 4.33Å; E555-F578 HydrophobicContact CB-CZ 3.47Å; E555-F578 VanDerWaalsContact CB-CZ 3.47Å; E555-F578 HydrophobicContact CG-CZ 4.31Å
556	A	94.3	Very high	92.4	Very high	50 Å²	50	48 Å²	48	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-42.4	175.4	0	0	0	0	0	111.7	E552 D553 I559 S560	E552-A556 WeakPolarHBondContact O-CB 3.38Å; E552-A556 PolarHBondContact O-N 3.33Å; D553-A556 PolarHBondContact O-N 3.1Å; A556-I559 PolarHBondContact O-N 3.32Å; A556-S560 PolarHBondContact O-N 3.5Å
557	S	94.4	Very high	92.5	Very high	29 Å²	29	47.7 Å²	47.7	20%	0.203	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-49.5	174.1	176.6	0	0	0	0	111.2	E513 D553 A554 I559 S560 K561	E513-S557 PolarHBondContact OE1-OG 3.12Å; E513-S557 VanDerWaalsContact OE1-OG 3.07Å; E513-S557 PolarHBondContact OE2-OG 3.34Å; D553-S557 VanDerWaalsContact O-CB 3.25Å; D553-S557 WeakPolarHBondContact O-CB 3.46Å; D553-S557 PolarHBondContact O-N 3.36Å; A554-S557 PolarHBondContact O-N 3.15Å; S557-I559 VanDerWaalsContact C-N 3.33Å; S557-I559 PolarHBondContact O-N 2.94Å; S557-S560 WeakPolarHBondContact O-CB 3.46Å; S557-S560 PolarHBondContact O-N 2.91Å; S557-S560 VanDerWaalsContact O-N 3.09Å; S557-K561 PolarHBondContact O-N 3.32Å; S557-K561 PolarHBondContact OG-NZ 3.34Å
558	M	95.3	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-40.9	177.6	-172.7	59.4	-176.6	0	0	112.1	L500 L516 V519 M520 F532 Y536 A554 E555 S560 K561 L562	L500-M558 HydrophobicContact CD1-CB 4.44Å; L500-M558 HydrophobicContact CD1-CG 4.29Å; L516-M558 HydrophobicContact CD2-SD 4.03Å; V519-M558 HydrophobicContact CG1-CE 3.98Å; M520-M558 HydrophobicContact CG-SD 4.44Å; M520-M558 HydrophobicContact SD-CE 3.76Å; M520-M558 HydrophobicContact SD-SD 4.22Å; F532-M558 HydrophobicContact CZ-CE 4.12Å; Y536-M558 HydrophobicContact CE2-CE 4.28Å; Y536-M558 HydrophobicContact CE2-CG 4.01Å; Y536-M558 WeakPolarHBondContact OH-CG 3.47Å; A554-M558 WeakPolarHBondContact O-CB 3.39Å; A554-M558 PolarHBondContact O-N 2.83Å; E555-M558 PolarHBondContact O-N 3.37Å; M558-S560 VanDerWaalsContact C-N 3.34Å; M558-S560 PolarHBondContact O-N 3.31Å; M558-K561 PolarHBondContact O-N 3.3Å; M558-L562 HydrophobicContact CE-CD1 4.43Å; M558-L562 HydrophobicContact CE-CD2 4.37Å; M558-L562 HydrophobicContact CE-CG 4.35Å; M558-L562 WeakPolarHBondContact O-CG 3.3Å; M558-L562 PolarHBondContact O-N 3.04Å
559	I	95.3	Very high	92.6	Very high	7 Å²	7	52 Å²	52	4%	0.036	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-37.7	174.9	-68	169.7	0	0	0	111.4	L540 E555 A556 S557 L562 K563 T571 L574 Q575 F578	L540-I559 HydrophobicContact CD2-CD1 4.18Å; E555-I559 VanDerWaalsContact O-CG1 3.31Å; E555-I559 WeakPolarHBondContact O-CG1 3.39Å; E555-I559 PolarHBondContact O-N 3.45Å; A556-I559 PolarHBondContact O-N 3.32Å; S557-I559 VanDerWaalsContact C-N 3.33Å; S557-I559 PolarHBondContact O-N 2.94Å; I559-L562 PolarHBondContact O-N 2.98Å; I559-K563 WeakPolarHBondContact O-CB 3.38Å; I559-K563 PolarHBondContact O-N 3.3Å; I559-T571 HydrophobicContact CG2-CG2 4.28Å; I559-L574 HydrophobicContact CD1-CB 3.98Å; I559-L574 HydrophobicContact CG1-CB 4.22Å; I559-L574 HydrophobicContact CG1-CD1 4.33Å; I559-Q575 HydrophobicContact CG2-CG 3.8Å; I559-F578 HydrophobicContact CD1-CD2 3.73Å; I559-F578 HydrophobicContact CD1-CE2 3.39Å; I559-F578 HydrophobicContact CD1-CZ 4.25Å
560	S	95.8	Very high	92.5	Very high	51 Å²	51	51.4 Å²	51.4	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-47.8	175.1	-163.1	0	0	0	0	111.3	A556 S557 M558 L562 K563 E564	A556-S560 PolarHBondContact O-N 3.5Å; S557-S560 WeakPolarHBondContact O-CB 3.46Å; S557-S560 PolarHBondContact O-N 2.91Å; S557-S560 VanDerWaalsContact O-N 3.09Å; M558-S560 VanDerWaalsContact C-N 3.34Å; M558-S560 PolarHBondContact O-N 3.31Å; S560-L562 VanDerWaalsContact C-N 3.33Å; S560-L562 PolarHBondContact O-N 3.13Å; S560-K563 WeakPolarHBondContact O-CA 3.39Å; S560-K563 WeakPolarHBondContact O-CB 3.37Å; S560-K563 PolarHBondContact O-N 2.92Å; S560-E564 WeakPolarHBondContact O-CG 3.44Å; S560-E564 PolarHBondContact O-N 3.43Å; S560-E564 PolarHBondContact OG-OE1 3.5Å
561	K	95.5	Very high	92.7	Very high	34 Å²	34	49.6 Å²	49.6	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-42.2	177.3	-64.5	-174.6	-177.9	78.1	0	112.4	E513 M520 S557 M558 K563 E564 A565	E513-K561 IonicContact OE1-NZ 2.94Å; E513-K561 PolarHBondContact OE1-NZ 3.27Å; E513-K561 IonicContact OE2-NZ 3.88Å; E513-K561 PolarHBondContact OE2-NZ 3.38Å; E513-K561 VanDerWaalsContact OE2-NZ 3.08Å; M520-K561 HydrophobicContact CE-CB 4.19Å; M520-K561 HydrophobicContact CG-CB 3.88Å; M520-K561 HydrophobicContact CG-CD 3.8Å; M520-K561 HydrophobicContact CG-CG 4.47Å; M520-K561 HydrophobicContact SD-CB 4.14Å; S557-K561 PolarHBondContact O-N 3.32Å; S557-K561 PolarHBondContact OG-NZ 3.34Å; M558-K561 PolarHBondContact O-N 3.3Å; K561-K563 VanDerWaalsContact C-N 3.31Å; K561-K563 PolarHBondContact O-N 2.99Å; K561-E564 PolarHBondContact O-N 3.48Å; K561-A565 WeakPolarHBondContact O-CB 3.35Å; K561-A565 PolarHBondContact O-N 3.49Å
562	L	95	Very high	92.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-35.2	175.2	-69	172.3	0	0	0	112.4	M520 F523 F532 Y536 M558 I559 S560 C566 Y570 T571 L574	M520-L562 HydrophobicContact CE-CD2 4.04Å; M520-L562 HydrophobicContact SD-CD2 3.81Å; M520-L562 HydrophobicContact SD-CG 4.33Å; F523-L562 HydrophobicContact CD1-CD2 4.48Å; F523-L562 HydrophobicContact CE1-CD2 4.16Å; F523-L562 HydrophobicContact CE2-CD2 4.32Å; F523-L562 HydrophobicContact CZ-CD2 4.08Å; F532-L562 HydrophobicContact CD1-CD2 4.46Å; F532-L562 HydrophobicContact CE1-CD1 4.24Å; F532-L562 HydrophobicContact CE1-CD2 3.69Å; F532-L562 HydrophobicContact CZ-CD2 4.45Å; Y536-L562 HydrophobicContact CD1-CD1 4.15Å; Y536-L562 HydrophobicContact CE1-CD1 4.02Å; M558-L562 HydrophobicContact CE-CD1 4.43Å; M558-L562 HydrophobicContact CE-CD2 4.37Å; M558-L562 HydrophobicContact CE-CG 4.35Å; M558-L562 WeakPolarHBondContact O-CG 3.3Å; M558-L562 PolarHBondContact O-N 3.04Å; I559-L562 PolarHBondContact O-N 2.98Å; S560-L562 VanDerWaalsContact C-N 3.33Å; S560-L562 PolarHBondContact O-N 3.13Å; L562-C566 PolarHBondContact O-N 2.86Å; L562-Y570 HydrophobicContact CB-CD1 4.43Å; L562-Y570 HydrophobicContact CB-CE1 4.34Å; L562-Y570 HydrophobicContact CD2-CE1 4.23Å; L562-T571 HydrophobicContact CB-CG2 3.7Å; L562-L574 HydrophobicContact CD1-CD1 4.29Å
563	K	94.2	Very high	93	Very high	86 Å²	86	50.3 Å²	50.3	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-40	176.3	-176.5	-179.5	170.7	-171.7	0	111.3	I559 S560 K561 G567 T571	I559-K563 WeakPolarHBondContact O-CB 3.38Å; I559-K563 PolarHBondContact O-N 3.3Å; S560-K563 WeakPolarHBondContact O-CA 3.39Å; S560-K563 WeakPolarHBondContact O-CB 3.37Å; S560-K563 PolarHBondContact O-N 2.92Å; K561-K563 VanDerWaalsContact C-N 3.31Å; K561-K563 PolarHBondContact O-N 2.99Å; K563-G567 CarbonylContact O-C 3.55Å; K563-G567 WeakPolarHBondContact O-CA 3.3Å; K563-G567 PolarHBondContact O-N 2.88Å; K563-T571 HydrophobicContact CB-CG2 3.93Å; K563-T571 WeakPolarHBondContact CB-OG1 3.46Å
564	E	93	Very high	93.2	Very high	149 Å²	149	44 Å²	44	70%	0.696	25%	0.247	S	C	*	.	H	α-helix	trans	-65.4	-41.2	175.9	-72.6	163.6	-151.2	0	0	111.4	S560 K561	S560-E564 WeakPolarHBondContact O-CG 3.44Å; S560-E564 PolarHBondContact O-N 3.43Å; S560-E564 PolarHBondContact OG-OE1 3.5Å; K561-E564 PolarHBondContact O-N 3.48Å
565	A	89.8	Confident	93.3	Very high	60 Å²	60	46.2 Å²	46.2	50%	0.496	26%	0.256	S	S	.	.	H	α-helix	trans	-74.3	-37.3	-178.8	0	0	0	0	0	114.3	M520 F523 K561	M520-A565 HydrophobicContact CE-CB 3.83Å; F523-A565 HydrophobicContact CD1-CB 4.41Å; F523-A565 HydrophobicContact CE1-CB 4Å; K561-A565 WeakPolarHBondContact O-CB 3.35Å; K561-A565 PolarHBondContact O-N 3.49Å
566	C	89.2	Confident	93.4	Very high	25 Å²	25	51.7 Å²	51.7	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-125.1	-1.5	-169.9	-66.9	0	0	0	0	114.9	F523 L562 Y570	F523-C566 VanDerWaalsContact CZ-SG 3.59Å; L562-C566 PolarHBondContact O-N 2.86Å; C566-Y570 HydrophobicContact CB-CD1 3.6Å; C566-Y570 HydrophobicContact CB-CD2 3.68Å; C566-Y570 HydrophobicContact CB-CE1 4.11Å; C566-Y570 HydrophobicContact CB-CE2 4.19Å; C566-Y570 HydrophobicContact CB-CG 3.34Å
567	G	90.9	Very high	93.4	Very high	32 Å²	32	49.3 Å²	49.3	33%	0.33	26%	0.257	S	S	.	.			trans	85.6	172.8	-179.9	0	0	0	0	0	115.1	K563 E569 Y570	K563-G567 CarbonylContact O-C 3.55Å; K563-G567 WeakPolarHBondContact O-CA 3.3Å; K563-G567 PolarHBondContact O-N 2.88Å; G567-E569 PolarHBondContact O-N 3.27Å; G567-Y570 WeakPolarHBondContact O-CB 3.42Å; G567-Y570 PolarHBondContact O-N 3.25Å
568	F	91	Very high	93.3	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.531	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-44.2	-174.4	173	-104	0	0	0	114.1	Y570 T571 A572	F568-Y570 PolarHBondContact O-N 3.05Å; F568-Y570 VanDerWaalsContact O-N 3.13Å; F568-T571 PolarHBondContact O-N 3.2Å; F568-T571 PolarHBondContact O-OG1 3.13Å; F568-A572 HydrophobicContact CE1-CB 4.21Å; F568-A572 HydrophobicContact CZ-CB 4.21Å; F568-A572 PolarHBondContact O-N 3.43Å
569	E	89.4	Confident	93.2	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	28%	0.277	S	S	*	.	H	α-helix	trans	-61.9	-24.3	-178.9	-69.7	-175.1	167	0	0	112.9	G567 R828	G567-E569 PolarHBondContact O-N 3.27Å; E569-R828 IonicContact OE2-CZ 3.55Å; E569-R828 IonicContact OE2-NH2 3.02Å; E569-R828 PolarHBondContact OE2-NH2 3.24Å
570	Y	90.6	Very high	93.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-72.9	-31	176.6	-171.2	-93.4	0	0	0	112	F523 K529 Q533 L562 C566 G567 F568	F523-Y570 WeakPolarHBondContact CE2-OH 3.49Å; F523-Y570 HydrophobicContact CZ-CE1 4.32Å; F523-Y570 WeakPolarHBondContact CZ-OH 3.34Å; K529-Y570 HydrophobicContact CB-CE2 4.4Å; K529-Y570 PolarHBondContact O-OH 2.68Å; Q533-Y570 HydrophobicContact CB-CE1 4.18Å; Q533-Y570 HydrophobicContact CB-CE2 3.7Å; Q533-Y570 VanDerWaalsContact CB-CZ 3.49Å; Q533-Y570 WeakPolarHBondContact CB-OH 3.33Å; Q533-Y570 HydrophobicContact CG-CD1 4.24Å; Q533-Y570 HydrophobicContact CG-CD2 4.17Å; Q533-Y570 HydrophobicContact CG-CE1 3.83Å; Q533-Y570 HydrophobicContact CG-CE2 3.74Å; Q533-Y570 HydrophobicContact CG-CG 4.41Å; Q533-Y570 PolarHBondContact NE2-O 3.16Å; L562-Y570 HydrophobicContact CB-CD1 4.43Å; L562-Y570 HydrophobicContact CB-CE1 4.34Å; L562-Y570 HydrophobicContact CD2-CE1 4.23Å; C566-Y570 HydrophobicContact CB-CD1 3.6Å; C566-Y570 HydrophobicContact CB-CD2 3.68Å; C566-Y570 HydrophobicContact CB-CE1 4.11Å; C566-Y570 HydrophobicContact CB-CE2 4.19Å; C566-Y570 HydrophobicContact CB-CG 3.34Å; G567-Y570 WeakPolarHBondContact O-CB 3.42Å; G567-Y570 PolarHBondContact O-N 3.25Å; F568-Y570 PolarHBondContact O-N 3.05Å; F568-Y570 VanDerWaalsContact O-N 3.13Å
571	T	94	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-107.8	-7.9	-176.8	56	0	0	0	0	114.3	I559 L562 K563 F568 K573 L574 Q575	I559-T571 HydrophobicContact CG2-CG2 4.28Å; L562-T571 HydrophobicContact CB-CG2 3.7Å; K563-T571 HydrophobicContact CB-CG2 3.93Å; K563-T571 WeakPolarHBondContact CB-OG1 3.46Å; F568-T571 PolarHBondContact O-N 3.2Å; F568-T571 PolarHBondContact O-OG1 3.13Å; T571-K573 VanDerWaalsContact C-N 3.29Å; T571-K573 PolarHBondContact O-N 3.19Å; T571-K573 VanDerWaalsContact O-N 3.15Å; T571-L574 HydrophobicContact CG2-CD1 4.44Å; T571-L574 WeakPolarHBondContact O-CA 3.28Å; T571-L574 WeakPolarHBondContact O-CB 3.14Å; T571-L574 PolarHBondContact O-N 3.26Å; T571-Q575 PolarHBondContact O-N 3.28Å
572	A	93.7	Very high	92.8	Very high	33 Å²	33	54.8 Å²	54.8	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-50.7	-43.1	-176.2	0	0	0	0	0	113.8	F568 R576	F568-A572 HydrophobicContact CE1-CB 4.21Å; F568-A572 HydrophobicContact CZ-CB 4.21Å; F568-A572 PolarHBondContact O-N 3.43Å; A572-R576 WeakPolarHBondContact O-CB 3.38Å; A572-R576 PolarHBondContact O-N 3.09Å
573	K	93.7	Very high	92.7	Very high	102 Å²	102	57.2 Å²	57.2	44%	0.443	30%	0.297	S	S	.	.	H	α-helix	trans	-66.9	-41	176.5	-67.9	-172.7	178.7	-172.9	0	112.5	T571 R576 M577 N619	T571-K573 VanDerWaalsContact C-N 3.29Å; T571-K573 PolarHBondContact O-N 3.19Å; T571-K573 VanDerWaalsContact O-N 3.15Å; K573-R576 WeakPolarHBondContact O-CB 3.29Å; K573-R576 PolarHBondContact O-N 3.44Å; K573-M577 WeakPolarHBondContact O-CG 3.34Å; K573-M577 PolarHBondContact O-N 3.2Å; K573-N619 WeakPolarHBondContact CE-O 3.37Å; K573-N619 PolarHBondContact NZ-O 2.84Å
574	L	95.4	Very high	92.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-44.6	178.4	-50.3	178.9	0	0	0	110.6	Y536 L540 I559 L562 T571 R576 M577 F578	Y536-L574 HydrophobicContact CD1-CD1 4.04Å; Y536-L574 HydrophobicContact CD1-CD2 4.48Å; Y536-L574 HydrophobicContact CE1-CD1 4.1Å; L540-L574 HydrophobicContact CD2-CB 4.01Å; L540-L574 HydrophobicContact CD2-CD2 3.86Å; L540-L574 HydrophobicContact CD2-CG 4.39Å; I559-L574 HydrophobicContact CD1-CB 3.98Å; I559-L574 HydrophobicContact CG1-CB 4.22Å; I559-L574 HydrophobicContact CG1-CD1 4.33Å; L562-L574 HydrophobicContact CD1-CD1 4.29Å; T571-L574 HydrophobicContact CG2-CD1 4.44Å; T571-L574 WeakPolarHBondContact O-CA 3.28Å; T571-L574 WeakPolarHBondContact O-CB 3.14Å; T571-L574 PolarHBondContact O-N 3.26Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 3.38Å; L574-M577 HydrophobicContact CD2-CE 4.42Å; L574-M577 HydrophobicContact CD2-SD 4.44Å; L574-M577 WeakPolarHBondContact O-CB 3.47Å; L574-M577 PolarHBondContact O-N 3.35Å; L574-M577 VanDerWaalsContact O-N 3.15Å; L574-F578 PolarHBondContact O-N 3.22Å
575	Q	94.8	Very high	92.5	Very high	55 Å²	55	52 Å²	52	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-38	175.6	-67.1	-175.8	-30.7	0	0	111.8	I559 T571 M577 F578 Q579	I559-Q575 HydrophobicContact CG2-CG 3.8Å; T571-Q575 PolarHBondContact O-N 3.28Å; Q575-M577 VanDerWaalsContact C-N 3.3Å; Q575-M577 PolarHBondContact O-N 2.9Å; Q575-F578 PolarHBondContact O-N 3.48Å; Q575-Q579 PolarHBondContact O-N 3.48Å
576	R	95.4	Very high	92.6	Very high	115 Å²	115	55 Å²	55	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-34.8	175.5	-173.6	65.4	-160.4	-174.3	-2.2	112.5	A572 K573 L574 F578 Q579 D580 A620	A572-R576 WeakPolarHBondContact O-CB 3.38Å; A572-R576 PolarHBondContact O-N 3.09Å; K573-R576 WeakPolarHBondContact O-CB 3.29Å; K573-R576 PolarHBondContact O-N 3.44Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 3.38Å; R576-F578 VanDerWaalsContact C-N 3.33Å; R576-F578 PolarHBondContact O-N 2.7Å; R576-Q579 PolarHBondContact O-N 3.03Å; R576-D580 IonicContact CZ-OD1 3.85Å; R576-D580 IonicContact NE-OD1 3.23Å; R576-D580 PolarHBondContact NE-OD1 3.13Å; R576-D580 IonicContact NH2-OD1 2.71Å; R576-D580 PolarHBondContact NH2-OD1 3.28Å; R576-D580 VanDerWaalsContact O-CG 3.3Å; R576-D580 PolarHBondContact O-N 2.89Å; R576-A620 HydrophobicContact CB-CB 3.76Å; R576-A620 HydrophobicContact CG-CB 3.63Å
577	M	95.5	Very high	92.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-43.1	173.9	-62.5	173.2	-175.6	0	0	112	S537 L540 A541 L544 K573 L574 Q575 Q579 D580 V581 A620 W621	S537-M577 WeakPolarHBondContact OG-CE 3.33Å; L540-M577 HydrophobicContact CD2-SD 4.1Å; L540-M577 HydrophobicContact CG-SD 4.43Å; A541-M577 HydrophobicContact CB-CE 4.28Å; A541-M577 HydrophobicContact CB-SD 4.16Å; L544-M577 HydrophobicContact CD1-CB 3.75Å; K573-M577 WeakPolarHBondContact O-CG 3.34Å; K573-M577 PolarHBondContact O-N 3.2Å; L574-M577 HydrophobicContact CD2-CE 4.42Å; L574-M577 HydrophobicContact CD2-SD 4.44Å; L574-M577 WeakPolarHBondContact O-CB 3.47Å; L574-M577 PolarHBondContact O-N 3.35Å; L574-M577 VanDerWaalsContact O-N 3.15Å; Q575-M577 VanDerWaalsContact C-N 3.3Å; Q575-M577 PolarHBondContact O-N 2.9Å; M577-Q579 PolarHBondContact O-N 3.03Å; M577-D580 PolarHBondContact O-N 3.43Å; M577-V581 WeakPolarHBondContact O-CG2 3.41Å; M577-V581 PolarHBondContact O-N 3.37Å; M577-A620 WeakPolarHBondContact CE-O 3.34Å; M577-W621 HydrophobicContact CB-CD2 4.41Å; M577-W621 HydrophobicContact CB-CH2 4.04Å; M577-W621 HydrophobicContact CB-CZ2 3.53Å; M577-W621 HydrophobicContact CG-CD2 3.85Å; M577-W621 HydrophobicContact CG-CE3 4.29Å; M577-W621 HydrophobicContact CG-CG 4.28Å; M577-W621 HydrophobicContact CG-CH2 4.39Å; M577-W621 HydrophobicContact CG-CZ2 3.92Å; M577-W621 WeakPolarHBondContact O-CZ2 3.39Å; M577-W621 HydrophobicContact SD-CE3 4.49Å
578	F	91.6	Very high	92.9	Very high	35 Å²	35	54 Å²	54	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-43.7	176.3	-87.2	-100.4	0	0	0	112.3	L540 L544 E555 I559 L574 Q575 R576 D580 V581 N582	L540-F578 HydrophobicContact CD1-CE2 4.06Å; L540-F578 HydrophobicContact CD1-CZ 4.48Å; L540-F578 HydrophobicContact CD2-CE2 4.26Å; L544-F578 HydrophobicContact CD1-CD2 4.29Å; L544-F578 HydrophobicContact CD1-CE2 4.11Å; L544-F578 HydrophobicContact CD2-CE1 4.43Å; L544-F578 HydrophobicContact CD2-CE2 4.21Å; L544-F578 HydrophobicContact CD2-CZ 3.97Å; E555-F578 HydrophobicContact CB-CE1 4.25Å; E555-F578 HydrophobicContact CB-CE2 4.33Å; E555-F578 HydrophobicContact CB-CZ 3.47Å; E555-F578 VanDerWaalsContact CB-CZ 3.47Å; E555-F578 HydrophobicContact CG-CZ 4.31Å; I559-F578 HydrophobicContact CD1-CD2 3.73Å; I559-F578 HydrophobicContact CD1-CE2 3.39Å; I559-F578 HydrophobicContact CD1-CZ 4.25Å; L574-F578 PolarHBondContact O-N 3.22Å; Q575-F578 PolarHBondContact O-N 3.48Å; R576-F578 VanDerWaalsContact C-N 3.33Å; R576-F578 PolarHBondContact O-N 2.7Å; F578-D580 VanDerWaalsContact C-N 3.33Å; F578-D580 PolarHBondContact O-N 3.05Å; F578-V581 PolarHBondContact O-N 2.76Å; F578-N582 PolarHBondContact O-N 3.46Å
579	Q	93.4	Very high	92.9	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-43.6	176.2	-66.7	173.7	-1.7	0	0	111.4	Q575 R576 M577 N582 A583	Q575-Q579 PolarHBondContact O-N 3.48Å; R576-Q579 PolarHBondContact O-N 3.03Å; M577-Q579 PolarHBondContact O-N 3.03Å; Q579-N582 PolarHBondContact O-N 2.95Å; Q579-A583 VanDerWaalsContact O-CB 3.28Å; Q579-A583 WeakPolarHBondContact O-CB 3.48Å; Q579-A583 PolarHBondContact O-N 3.36Å
580	D	94.8	Very high	93	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.053	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-37.8	179.3	-68.7	-10.7	0	0	0	111.8	R576 M577 F578 T584 S617 W621	R576-D580 IonicContact CZ-OD1 3.85Å; R576-D580 IonicContact NE-OD1 3.23Å; R576-D580 PolarHBondContact NE-OD1 3.13Å; R576-D580 IonicContact NH2-OD1 2.71Å; R576-D580 PolarHBondContact NH2-OD1 3.28Å; R576-D580 VanDerWaalsContact O-CG 3.3Å; R576-D580 PolarHBondContact O-N 2.89Å; M577-D580 PolarHBondContact O-N 3.43Å; F578-D580 VanDerWaalsContact C-N 3.33Å; F578-D580 PolarHBondContact O-N 3.05Å; D580-T584 WeakPolarHBondContact O-CB 3.36Å; D580-T584 PolarHBondContact O-N 3.13Å; D580-T584 PolarHBondContact O-OG1 3.28Å; D580-S617 VanDerWaalsContact OD2-CB 3.3Å; D580-S617 WeakPolarHBondContact OD2-CB 3.36Å; D580-S617 PolarHBondContact OD2-N 3.09Å; D580-S617 PolarHBondContact OD2-OG 2.99Å; D580-W621 HydrophobicContact CB-CZ2 4.3Å; D580-W621 PolarHBondContact OD2-NE1 3.01Å
581	V	92.7	Very high	93	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-45.7	174.8	171.3	0	0	0	0	111.2	L544 M577 F578 T584 R585 W621	L544-V581 HydrophobicContact CB-CG2 4.05Å; L544-V581 HydrophobicContact CD1-CG2 4.26Å; M577-V581 WeakPolarHBondContact O-CG2 3.41Å; M577-V581 PolarHBondContact O-N 3.37Å; F578-V581 PolarHBondContact O-N 2.76Å; V581-T584 WeakPolarHBondContact O-CB 3.37Å; V581-T584 PolarHBondContact O-N 2.98Å; V581-R585 WeakPolarHBondContact O-CG 3.33Å; V581-R585 PolarHBondContact O-N 3.08Å; V581-R585 VanDerWaalsContact O-N 3.12Å; V581-W621 HydrophobicContact CG2-CH2 3.87Å; V581-W621 HydrophobicContact CG2-CZ2 3.97Å
582	N	91	Very high	92.8	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-67.3	-44.4	178.9	-72.5	-22.4	0	0	0	111.9	F578 Q579 T584 R585 E586	F578-N582 PolarHBondContact O-N 3.46Å; Q579-N582 PolarHBondContact O-N 2.95Å; N582-T584 PolarHBondContact O-N 3.45Å; N582-R585 WeakPolarHBondContact O-CB 3.46Å; N582-R585 PolarHBondContact O-N 3.47Å; N582-R585 PolarHBondContact OD1-NH1 2.91Å; N582-E586 PolarHBondContact O-N 2.81Å
583	A	92.6	Very high	92.6	Very high	52 Å²	52	55.8 Å²	55.8	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-60.3	-34.6	175	0	0	0	0	0	112.1	Q579 E586 L587	Q579-A583 VanDerWaalsContact O-CB 3.28Å; Q579-A583 WeakPolarHBondContact O-CB 3.48Å; Q579-A583 PolarHBondContact O-N 3.36Å; A583-E586 PolarHBondContact O-N 3.06Å; A583-L587 WeakPolarHBondContact O-CB 3.11Å; A583-L587 PolarHBondContact O-N 3.36Å
584	T	93.2	Very high	92.3	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-39	174.3	-73	0	0	0	0	112.5	D580 V581 N582 E586 L587 N588 I613 M614 I615	D580-T584 WeakPolarHBondContact O-CB 3.36Å; D580-T584 PolarHBondContact O-N 3.13Å; D580-T584 PolarHBondContact O-OG1 3.28Å; V581-T584 WeakPolarHBondContact O-CB 3.37Å; V581-T584 PolarHBondContact O-N 2.98Å; N582-T584 PolarHBondContact O-N 3.45Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 2.97Å; T584-L587 PolarHBondContact O-N 3.46Å; T584-N588 WeakPolarHBondContact CG2-ND2 3.41Å; T584-N588 PolarHBondContact O-N 3.14Å; T584-N588 PolarHBondContact O-ND2 3.03Å; T584-N588 VanDerWaalsContact O-ND2 3.14Å; T584-I613 WeakPolarHBondContact CG2-O 3.46Å; T584-M614 HydrophobicContact CG2-CB 4.04Å; T584-M614 HydrophobicContact CG2-CG 3.85Å; T584-I615 PolarHBondContact OG1-N 3.33Å; T584-I615 PolarHBondContact OG1-O 3.39Å
585	R	91	Very high	91.8	Very high	117 Å²	117	54.5 Å²	54.5	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-43.9	176.2	-69	171.1	178.3	173.7	-5.1	110.9	E552 V581 N582 N588 A589	E552-R585 IonicContact OE1-CZ 2.76Å; E552-R585 VanDerWaalsContact OE1-CZ 3.28Å; E552-R585 IonicContact OE1-NH1 2.78Å; E552-R585 PolarHBondContact OE1-NH1 2.81Å; E552-R585 IonicContact OE1-NH2 3.91Å; E552-R585 PolarHBondContact OE1-NH2 3.12Å; E552-R585 IonicContact OE2-NH1 2.83Å; V581-R585 WeakPolarHBondContact O-CG 3.33Å; V581-R585 PolarHBondContact O-N 3.08Å; V581-R585 VanDerWaalsContact O-N 3.12Å; N582-R585 WeakPolarHBondContact O-CB 3.46Å; N582-R585 PolarHBondContact O-N 3.47Å; N582-R585 PolarHBondContact OD1-NH1 2.91Å; R585-N588 PolarHBondContact O-N 2.97Å; R585-A589 PolarHBondContact O-N 3.27Å
586	E	91.9	Very high	91.3	Very high	122 Å²	122	57 Å²	57	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-65.6	-39.4	175.2	-64.4	176.1	-167.1	0	0	112.6	N582 A583 T584 A589 K590	N582-E586 PolarHBondContact O-N 2.81Å; A583-E586 PolarHBondContact O-N 3.06Å; T584-E586 VanDerWaalsContact C-N 3.31Å; T584-E586 PolarHBondContact O-N 2.97Å; E586-A589 PolarHBondContact O-N 3.42Å; E586-K590 WeakPolarHBondContact O-CG 3.47Å; E586-K590 PolarHBondContact O-N 2.85Å; E586-K590 VanDerWaalsContact O-N 3.15Å
587	L	92.3	Very high	90.8	Very high	18 Å²	18	58.2 Å²	58.2	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-41.7	177.9	-174.3	68.4	0	0	0	111.9	A583 T584 A589 K590 F591 I615 F642 F645 Y646	A583-L587 WeakPolarHBondContact O-CB 3.11Å; A583-L587 PolarHBondContact O-N 3.36Å; T584-L587 PolarHBondContact O-N 3.46Å; L587-A589 VanDerWaalsContact C-N 3.33Å; L587-A589 PolarHBondContact O-N 2.59Å; L587-K590 PolarHBondContact O-N 3.21Å; L587-F591 PolarHBondContact O-N 3.28Å; L587-I615 HydrophobicContact CD2-CB 4.19Å; L587-I615 HydrophobicContact CD2-CG1 3.48Å; L587-I615 VanDerWaalsContact CD2-CG1 3.48Å; L587-F642 HydrophobicContact CD2-CZ 4.19Å; L587-F645 HydrophobicContact CD1-CE1 3.71Å; L587-F645 HydrophobicContact CD1-CZ 3.95Å; L587-F645 HydrophobicContact CG-CE1 4.18Å; L587-Y646 HydrophobicContact CD2-CD2 4.3Å; L587-Y646 HydrophobicContact CD2-CE2 4.17Å
588	N	92.1	Very high	90.1	Very high	18 Å²	18	60.9 Å²	60.9	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-39.2	176.1	-80.3	-50.8	0	0	0	111.7	T584 R585 F591 S592 N612 I613	T584-N588 WeakPolarHBondContact CG2-ND2 3.41Å; T584-N588 PolarHBondContact O-N 3.14Å; T584-N588 PolarHBondContact O-ND2 3.03Å; T584-N588 VanDerWaalsContact O-ND2 3.14Å; R585-N588 PolarHBondContact O-N 2.97Å; N588-F591 PolarHBondContact O-N 3.37Å; N588-S592 PolarHBondContact O-N 3.43Å; N588-S592 PolarHBondContact O-OG 3.44Å; N588-N612 PolarHBondContact ND2-OD1 3.24Å; N588-I613 PolarHBondContact ND2-O 3.08Å; N588-I613 WeakPolarHBondContact OD1-CG2 3.46Å; N588-I613 PolarHBondContact OD1-N 3.15Å; N588-I613 PolarHBondContact OD1-O 2.96Å
589	A	91.6	Very high	89.5	Confident	54 Å²	54	63.7 Å²	63.7	45%	0.446	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-45.5	174.6	0	0	0	0	0	111.8	R585 E586 L587 F591 S592 D593	R585-A589 PolarHBondContact O-N 3.27Å; E586-A589 PolarHBondContact O-N 3.42Å; L587-A589 VanDerWaalsContact C-N 3.33Å; L587-A589 PolarHBondContact O-N 2.59Å; A589-F591 VanDerWaalsContact C-N 3.28Å; A589-F591 PolarHBondContact O-N 2.87Å; A589-S592 WeakPolarHBondContact O-CB 3.35Å; A589-S592 PolarHBondContact O-N 3Å; A589-D593 PolarHBondContact O-N 2.97Å; A589-D593 VanDerWaalsContact O-N 3.09Å
590	K	91.9	Very high	88.9	Confident	111 Å²	111	65.5 Å²	65.5	48%	0.483	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-35.8	174.8	-68.9	172	-176.6	170.2	0	112.5	E586 L587 D593 Y594 F645	E586-K590 WeakPolarHBondContact O-CG 3.47Å; E586-K590 PolarHBondContact O-N 2.85Å; E586-K590 VanDerWaalsContact O-N 3.15Å; L587-K590 PolarHBondContact O-N 3.21Å; K590-D593 PolarHBondContact O-N 3.27Å; K590-Y594 WeakPolarHBondContact O-CB 3.34Å; K590-Y594 PolarHBondContact O-N 3.5Å; K590-F645 HydrophobicContact CB-CE2 4.44Å; K590-F645 HydrophobicContact CB-CZ 4.02Å
591	F	91.3	Very high	88.1	Confident	3 Å²	3	68.6 Å²	68.6	1%	0.013	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-39.9	176.6	-174.6	-119.5	0	0	0	111.6	L587 N588 A589 D593 Y594 L595 F611 T641 F642 F645	L587-F591 PolarHBondContact O-N 3.28Å; N588-F591 PolarHBondContact O-N 3.37Å; A589-F591 VanDerWaalsContact C-N 3.28Å; A589-F591 PolarHBondContact O-N 2.87Å; F591-D593 VanDerWaalsContact C-N 3.34Å; F591-D593 PolarHBondContact O-N 3.25Å; F591-Y594 HydrophobicContact CD2-CD1 4.22Å; F591-Y594 HydrophobicContact CE2-CD1 4.12Å; F591-Y594 WeakPolarHBondContact O-CB 3.44Å; F591-Y594 PolarHBondContact O-N 3.36Å; F591-L595 HydrophobicContact CD1-CD1 3.98Å; F591-L595 HydrophobicContact CD1-CG 4.33Å; F591-L595 HydrophobicContact CE1-CD1 3.58Å; F591-L595 HydrophobicContact CE1-CD2 4.25Å; F591-L595 HydrophobicContact CE1-CG 3.97Å; F591-L595 HydrophobicContact CE2-CD2 4.16Å; F591-L595 HydrophobicContact CE2-CG 4.23Å; F591-L595 HydrophobicContact CZ-CD1 4.01Å; F591-L595 HydrophobicContact CZ-CD2 3.79Å; F591-L595 HydrophobicContact CZ-CG 3.93Å; F591-L595 WeakPolarHBondContact O-CG 3.48Å; F591-L595 PolarHBondContact O-N 3.08Å; F591-F611 HydrophobicContact CD1-CD1 4.4Å; F591-F611 AromaticContact CE1-CD1 3.69Å; F591-F611 HydrophobicContact CE1-CD1 3.69Å; F591-F611 HydrophobicContact CE1-CE1 4.04Å; F591-T641 HydrophobicContact CE2-CG2 4.33Å; F591-T641 HydrophobicContact CZ-CG2 4.25Å; F591-F642 HydrophobicContact CD1-CD2 4.13Å; F591-F642 AromaticContact CD2-CD2 3.87Å; F591-F642 HydrophobicContact CD2-CD2 3.87Å; F591-F642 HydrophobicContact CD2-CE2 4.41Å; F591-F642 HydrophobicContact CE1-CD2 4.11Å; F591-F642 HydrophobicContact CE2-CB 4.19Å; F591-F642 AromaticContact CE2-CD2 3.84Å; F591-F642 HydrophobicContact CE2-CD2 3.84Å; F591-F642 AromaticContact CG-CD2 4Å; F591-F642 HydrophobicContact CG-CD2 4Å; F591-F642 HydrophobicContact CG-CE2 4.35Å; F591-F642 HydrophobicContact CZ-CB 3.96Å; F591-F642 AromaticContact CZ-CD2 3.96Å; F591-F642 HydrophobicContact CZ-CD2 3.96Å; F591-F642 HydrophobicContact CZ-CG 4.49Å; F591-F645 HydrophobicContact CB-CD1 4.24Å; F591-F645 HydrophobicContact CB-CE1 3.8Å; F591-F645 HydrophobicContact CB-CE2 4.5Å; F591-F645 HydrophobicContact CB-CZ 3.94Å; F591-F645 HydrophobicContact CD2-CB 3.85Å; F591-F645 AromaticContact CD2-CD1 3.42Å; F591-F645 HydrophobicContact CD2-CD1 3.42Å; F591-F645 VanDerWaalsContact CD2-CD1 3.42Å; F591-F645 AromaticContact CD2-CD2 4Å; F591-F645 HydrophobicContact CD2-CD2 4Å; F591-F645 AromaticContact CD2-CE1 3.89Å; F591-F645 HydrophobicContact CD2-CE1 3.89Å; F591-F645 HydrophobicContact CD2-CE2 4.4Å; F591-F645 AromaticContact CD2-CG 3.47Å; F591-F645 HydrophobicContact CD2-CG 3.47Å; F591-F645 VanDerWaalsContact CD2-CG 3.47Å; F591-F645 HydrophobicContact CD2-CZ 4.35Å; F591-F645 HydrophobicContact CE2-CB 3.84Å; F591-F645 HydrophobicContact CE2-CD1 4.14Å; F591-F645 HydrophobicContact CE2-CG 4.02Å; F591-F645 HydrophobicContact CG-CD1 4.17Å; F591-F645 HydrophobicContact CG-CE1 4.24Å
592	S	88.8	Confident	87	Confident	71 Å²	71	72.9 Å²	72.9	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-43.9	172.6	-61.8	0	0	0	0	112	N588 A589 Y594 L595 Q596	N588-S592 PolarHBondContact O-N 3.43Å; N588-S592 PolarHBondContact O-OG 3.44Å; A589-S592 WeakPolarHBondContact O-CB 3.35Å; A589-S592 PolarHBondContact O-N 3Å; S592-Y594 VanDerWaalsContact C-N 3.31Å; S592-Y594 PolarHBondContact O-N 3.27Å; S592-L595 PolarHBondContact O-N 3.49Å; S592-Q596 PolarHBondContact O-N 3.3Å
593	D	89.1	Confident	85.8	Confident	88 Å²	88	71.9 Å²	71.9	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-63.3	-38.1	175.2	-66.1	-15.2	0	0	0	112	A589 K590 F591 Q596 K597	A589-D593 PolarHBondContact O-N 2.97Å; A589-D593 VanDerWaalsContact O-N 3.09Å; K590-D593 PolarHBondContact O-N 3.27Å; F591-D593 VanDerWaalsContact C-N 3.34Å; F591-D593 PolarHBondContact O-N 3.25Å; D593-Q596 PolarHBondContact O-N 3.1Å; D593-K597 WeakPolarHBondContact O-CG 3.17Å; D593-K597 PolarHBondContact O-N 3.46Å; D593-K597 VanDerWaalsContact O-N 3.13Å
594	Y	88.1	Confident	84.2	Confident	32 Å²	32	72.4 Å²	72.4	13%	0.125	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-43.3	175.2	176	-91.3	0	0	0	111.5	K590 F591 S592 K597 Q598 T641 F645	K590-Y594 WeakPolarHBondContact O-CB 3.34Å; K590-Y594 PolarHBondContact O-N 3.5Å; F591-Y594 HydrophobicContact CD2-CD1 4.22Å; F591-Y594 HydrophobicContact CE2-CD1 4.12Å; F591-Y594 WeakPolarHBondContact O-CB 3.44Å; F591-Y594 PolarHBondContact O-N 3.36Å; S592-Y594 VanDerWaalsContact C-N 3.31Å; S592-Y594 PolarHBondContact O-N 3.27Å; Y594-K597 PolarHBondContact O-N 3.23Å; Y594-Q598 HydrophobicContact CD1-CG 4.17Å; Y594-Q598 HydrophobicContact CE1-CG 3.71Å; Y594-Q598 HydrophobicContact CE2-CG 4.44Å; Y594-Q598 WeakPolarHBondContact O-CB 3.39Å; Y594-Q598 WeakPolarHBondContact O-CG 3.31Å; Y594-Q598 PolarHBondContact O-N 2.69Å; Y594-Q598 PolarHBondContact OH-NE2 3.23Å; Y594-Q598 VanDerWaalsContact OH-NE2 3.07Å; Y594-T641 HydrophobicContact CE1-CG2 4.26Å; Y594-F645 HydrophobicContact CD1-CB 4Å; Y594-F645 AromaticContact CD1-CD2 3.98Å; Y594-F645 HydrophobicContact CD1-CD2 3.98Å; Y594-F645 HydrophobicContact CD1-CG 4.32Å; Y594-F645 AromaticContact CD2-CD2 3.75Å; Y594-F645 HydrophobicContact CD2-CD2 3.75Å; Y594-F645 HydrophobicContact CE1-CB 3.93Å; Y594-F645 HydrophobicContact CE2-CD2 4.37Å; Y594-F645 HydrophobicContact CG-CB 4.37Å; Y594-F645 AromaticContact CG-CD2 3.53Å; Y594-F645 HydrophobicContact CG-CD2 3.53Å; Y594-F645 HydrophobicContact CG-CE2 4.23Å; Y594-F645 HydrophobicContact CG-CG 4.31Å
595	L	85.3	Confident	82.5	Confident	44 Å²	44	73.7 Å²	73.7	23%	0.23	40%	0.395	C	S	.	.	H	α-helix	trans	-63.3	-42.2	176.4	-71.6	178.5	0	0	0	111.9	F591 S592 K597 Q598 E599 I606 T641	F591-L595 HydrophobicContact CD1-CD1 3.98Å; F591-L595 HydrophobicContact CD1-CG 4.33Å; F591-L595 HydrophobicContact CE1-CD1 3.58Å; F591-L595 HydrophobicContact CE1-CD2 4.25Å; F591-L595 HydrophobicContact CE1-CG 3.97Å; F591-L595 HydrophobicContact CE2-CD2 4.16Å; F591-L595 HydrophobicContact CE2-CG 4.23Å; F591-L595 HydrophobicContact CZ-CD1 4.01Å; F591-L595 HydrophobicContact CZ-CD2 3.79Å; F591-L595 HydrophobicContact CZ-CG 3.93Å; F591-L595 WeakPolarHBondContact O-CG 3.48Å; F591-L595 PolarHBondContact O-N 3.08Å; S592-L595 PolarHBondContact O-N 3.49Å; L595-K597 PolarHBondContact O-N 3.31Å; L595-Q598 PolarHBondContact O-N 3.01Å; L595-E599 WeakPolarHBondContact O-CB 3.18Å; L595-E599 PolarHBondContact O-N 3.15Å; L595-I606 HydrophobicContact CD1-CD1 4.21Å; L595-I606 HydrophobicContact CD2-CD1 3.7Å; L595-I606 HydrophobicContact CD2-CG1 4.29Å; L595-T641 HydrophobicContact CD2-CG2 3.72Å
596	Q	83.6	Confident	81.2	Confident	108 Å²	108	68.8 Å²	68.8	51%	0.505	38%	0.378	S	S	.	.	H	α-helix	trans	-61.1	-44.6	176.8	-175	179.9	-9.4	0	0	111.5	S592 D593 Q598 E599 E600	S592-Q596 PolarHBondContact O-N 3.3Å; D593-Q596 PolarHBondContact O-N 3.1Å; Q596-Q598 PolarHBondContact O-N 3.35Å; Q596-E599 PolarHBondContact O-N 2.95Å; Q596-E600 PolarHBondContact NE2-OE1 3.48Å; Q596-E600 WeakPolarHBondContact O-CG 3.28Å; Q596-E600 PolarHBondContact O-N 2.99Å
597	K	84.5	Confident	79.7	Confident	140 Å²	140	70.7 Å²	70.7	61%	0.609	38%	0.384	S	S	*	.	H	α-helix	trans	-65	-38.9	176.9	-70.7	171	-175.3	172.9	0	112.7	D593 Y594 L595 E599 E600 A601	D593-K597 WeakPolarHBondContact O-CG 3.17Å; D593-K597 PolarHBondContact O-N 3.46Å; D593-K597 VanDerWaalsContact O-N 3.13Å; Y594-K597 PolarHBondContact O-N 3.23Å; L595-K597 PolarHBondContact O-N 3.31Å; K597-E599 VanDerWaalsContact C-N 3.33Å; K597-E600 PolarHBondContact O-N 3.1Å; K597-A601 WeakPolarHBondContact O-CB 3.5Å; K597-A601 PolarHBondContact O-N 3.27Å
598	Q	81.6	Confident	78.6	Confident	57 Å²	57	74 Å²	74	27%	0.266	42%	0.422	S	S	.	.	H	α-helix	trans	-64.9	-38.2	174.4	-81.1	-79	-14.9	0	0	111.7	Y594 L595 Q596 A601 N602	Y594-Q598 HydrophobicContact CD1-CG 4.17Å; Y594-Q598 HydrophobicContact CE1-CG 3.71Å; Y594-Q598 HydrophobicContact CE2-CG 4.44Å; Y594-Q598 WeakPolarHBondContact O-CB 3.39Å; Y594-Q598 WeakPolarHBondContact O-CG 3.31Å; Y594-Q598 PolarHBondContact O-N 2.69Å; Y594-Q598 PolarHBondContact OH-NE2 3.23Å; Y594-Q598 VanDerWaalsContact OH-NE2 3.07Å; L595-Q598 PolarHBondContact O-N 3.01Å; Q596-Q598 PolarHBondContact O-N 3.35Å; Q598-A601 PolarHBondContact O-N 2.92Å; Q598-N602 PolarHBondContact O-N 3.06Å; Q598-N602 PolarHBondContact OE1-ND2 3.3Å
599	E	78.2	Confident	77.9	Confident	93 Å²	93	76.1 Å²	76.1	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-64.9	-44	175.6	-177.1	163.9	-142.6	0	0	111.7	L595 Q596 K597 A601 G603 T605	L595-E599 WeakPolarHBondContact O-CB 3.18Å; L595-E599 PolarHBondContact O-N 3.15Å; Q596-E599 PolarHBondContact O-N 2.95Å; K597-E599 VanDerWaalsContact C-N 3.33Å; E599-A601 VanDerWaalsContact C-N 3.33Å; E599-A601 PolarHBondContact O-N 3.09Å; E599-G603 WeakPolarHBondContact O-CA 3.44Å; E599-G603 PolarHBondContact O-N 2.91Å; E599-G603 VanDerWaalsContact O-N 3.08Å; E599-T605 HydrophobicContact CB-CG2 4.45Å; E599-T605 VanDerWaalsContact CD-CG2 3.42Å; E599-T605 HydrophobicContact CG-CG2 4.2Å; E599-T605 WeakPolarHBondContact OE1-CG2 3.32Å; E599-T605 PolarHBondContact OE1-OG1 2.92Å
600	E	80.6	Confident	77.5	Confident	142 Å²	142	81.3 Å²	81.3	66%	0.664	46%	0.456	S	S	*	.	H	α-helix	trans	-63.1	-36	175.1	-71.7	171.4	-171	0	0	112.7	Q596 K597	Q596-E600 PolarHBondContact NE2-OE1 3.48Å; Q596-E600 WeakPolarHBondContact O-CG 3.28Å; Q596-E600 PolarHBondContact O-N 2.99Å; K597-E600 PolarHBondContact O-N 3.1Å
601	A	78.2	Confident	77.3	Confident	75 Å²	75	78.5 Å²	78.5	62%	0.62	44%	0.444	S	S	*	.	H	α-helix	trans	-83.8	-44.9	-176.6	0	0	0	0	0	114.1	K597 Q598 E599	K597-A601 WeakPolarHBondContact O-CB 3.5Å; K597-A601 PolarHBondContact O-N 3.27Å; Q598-A601 PolarHBondContact O-N 2.92Å; E599-A601 VanDerWaalsContact C-N 3.33Å; E599-A601 PolarHBondContact O-N 3.09Å
602	N	69.6	Low	77.2	Confident	108 Å²	108	84 Å²	84	58%	0.578	47%	0.473	S	S	*	.	H	α-helix	trans	-117	-9.2	-165.8	-66.7	-23	0	0	0	113.7	Q598 S604	Q598-N602 PolarHBondContact O-N 3.06Å; Q598-N602 PolarHBondContact OE1-ND2 3.3Å; N602-S604 PolarHBondContact O-N 3.01Å
603	G	66.3	Low	77.3	Confident	49 Å²	49	81.3 Å²	81.3	51%	0.505	45%	0.454	S	S	.	.			trans	62	3.9	-174.3	0	0	0	0	0	114.7	E599 T605	E599-G603 WeakPolarHBondContact O-CA 3.44Å; E599-G603 PolarHBondContact O-N 2.91Å; E599-G603 VanDerWaalsContact O-N 3.08Å; G603-T605 PolarHBondContact O-N 3.38Å
604	S	57.9	Low	77.5	Confident	63 Å²	63	80.3 Å²	80.3	44%	0.441	45%	0.447	S	S	.	.			trans	-93.1	86.4	178.8	67.2	0	0	0	0	109.7	N602	N602-S604 PolarHBondContact O-N 3.01Å
605	T	58	Low	77.7	Confident	35 Å²	35	80.5 Å²	80.5	22%	0.215	45%	0.45	C	S	.	.			trans	-77.1	152.2	169.6	-15.2	0	0	0	0	109.9	E599 G603 K607 Q637	E599-T605 HydrophobicContact CB-CG2 4.45Å; E599-T605 VanDerWaalsContact CD-CG2 3.42Å; E599-T605 HydrophobicContact CG-CG2 4.2Å; E599-T605 WeakPolarHBondContact OE1-CG2 3.32Å; E599-T605 PolarHBondContact OE1-OG1 2.92Å; G603-T605 PolarHBondContact O-N 3.38Å; T605-K607 PolarHBondContact O-N 2.74Å; T605-Q637 PolarHBondContact O-NE2 3.24Å
606	I	64.9	Low	78.1	Confident	13 Å²	13	80.9 Å²	80.9	7%	0.067	45%	0.452	C	S	.	.			trans	-64.2	80.6	148.6	-60.5	172.2	0	0	0	105	L595 G608 Q637 C638 T641	L595-I606 HydrophobicContact CD1-CD1 4.21Å; L595-I606 HydrophobicContact CD2-CD1 3.7Å; L595-I606 HydrophobicContact CD2-CG1 4.29Å; I606-G608 PolarHBondContact O-N 3.07Å; I606-Q637 HydrophobicContact CG1-CG 4.41Å; I606-C638 WeakPolarHBondContact CG2-SG 3Å; I606-T641 HydrophobicContact CD1-CG2 4.32Å
607	K	60	Low	78.4	Confident	163 Å²	163	77 Å²	77	71%	0.709	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	108.4	-166.5	-79.6	-173.8	178.2	177.9	0	110.2	T605	T605-K607 PolarHBondContact O-N 2.74Å
608	G	68.7	Low	78.6	Confident	87 Å²	87	76 Å²	76	90%	0.897	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	11.4	167.6	0	0	0	0	0	116.2	I606	I606-G608 PolarHBondContact O-N 3.07Å
609	T	77.3	Confident	78.8	Confident	63 Å²	63	78.7 Å²	78.7	39%	0.387	46%	0.463	S	S	.	.			trans	-110.1	114.1	175.8	-46.4	0	0	0	0	110.5	F611 L635	T609-F611 PolarHBondContact O-N 2.63Å; T609-L635 HydrophobicContact CG2-CD2 4.5Å
610	D	83.6	Confident	79.5	Confident	162 Å²	162	74.5 Å²	74.5	87%	0.866	45%	0.445	S	S	*	.			trans	-71.9	112.6	169.5	-176.8	11.7	0	0	0	109
611	F	87.7	Confident	80.1	Confident	53 Å²	53	68.4 Å²	68.4	23%	0.232	42%	0.415	C	S	.	.			trans	-119.3	121.9	-173.9	-179.1	-98	0	0	0	110.9	F591 T609 I613 C638 F642	F591-F611 HydrophobicContact CD1-CD1 4.4Å; F591-F611 AromaticContact CE1-CD1 3.69Å; F591-F611 HydrophobicContact CE1-CD1 3.69Å; F591-F611 HydrophobicContact CE1-CE1 4.04Å; T609-F611 PolarHBondContact O-N 2.63Å; F611-I613 HydrophobicContact CE1-CB 4.03Å; F611-I613 HydrophobicContact CE1-CD1 4.49Å; F611-I613 HydrophobicContact CE1-CG2 4.31Å; F611-I613 HydrophobicContact CZ-CB 4.17Å; F611-I613 HydrophobicContact CZ-CD1 4.15Å; F611-C638 HydrophobicContact CD2-CB 3.63Å; F611-C638 HydrophobicContact CE2-CB 3.8Å; F611-C638 HydrophobicContact CG-CB 4.1Å; F611-C638 HydrophobicContact CZ-CB 4.39Å; F611-F642 HydrophobicContact CE1-CB 4.04Å; F611-F642 HydrophobicContact CE1-CD2 4.25Å; F611-F642 HydrophobicContact CE1-CG 4.23Å; F611-F642 HydrophobicContact CZ-CB 4.4Å
612	N	88.3	Confident	80.6	Confident	117 Å²	117	66.8 Å²	66.8	63%	0.626	40%	0.399	S	S	*	.			trans	-128.7	137.9	175.5	-170	-57	0	0	0	109.2	N588	N588-N612 PolarHBondContact ND2-OD1 3.24Å
613	I	92.2	Very high	81.4	Confident	16 Å²	16	63.1 Å²	63.1	8%	0.082	38%	0.378	C	S	.	.			trans	-126.3	151.5	-178.7	-171.6	155.8	0	0	0	111.7	T584 N588 F611 I615 F642 W657	T584-I613 WeakPolarHBondContact CG2-O 3.46Å; N588-I613 PolarHBondContact ND2-O 3.08Å; N588-I613 WeakPolarHBondContact OD1-CG2 3.46Å; N588-I613 PolarHBondContact OD1-N 3.15Å; N588-I613 PolarHBondContact OD1-O 2.96Å; F611-I613 HydrophobicContact CE1-CB 4.03Å; F611-I613 HydrophobicContact CE1-CD1 4.49Å; F611-I613 HydrophobicContact CE1-CG2 4.31Å; F611-I613 HydrophobicContact CZ-CB 4.17Å; F611-I613 HydrophobicContact CZ-CD1 4.15Å; I613-I615 HydrophobicContact CD1-CD1 4.07Å; I613-I615 HydrophobicContact CG1-CD1 4.03Å; I613-F642 HydrophobicContact CD1-CD1 3.53Å; I613-F642 HydrophobicContact CD1-CD2 4.41Å; I613-F642 HydrophobicContact CD1-CE1 3.46Å; I613-F642 VanDerWaalsContact CD1-CE1 3.46Å; I613-F642 HydrophobicContact CD1-CE2 4.37Å; I613-F642 HydrophobicContact CD1-CG 4.01Å; I613-F642 HydrophobicContact CD1-CZ 3.89Å; I613-F642 HydrophobicContact CG1-CE1 4.42Å; I613-F642 HydrophobicContact CG1-CZ 4.43Å; I613-F642 HydrophobicContact CG2-CD2 3.9Å; I613-F642 HydrophobicContact CG2-CE1 4.4Å; I613-F642 HydrophobicContact CG2-CE2 3.42Å; I613-F642 VanDerWaalsContact CG2-CE2 3.42Å; I613-F642 HydrophobicContact CG2-CZ 3.69Å; I613-W657 HydrophobicContact CD1-CE3 4.49Å; I613-W657 HydrophobicContact CD1-CH2 3.58Å; I613-W657 HydrophobicContact CD1-CZ3 3.47Å; I613-W657 VanDerWaalsContact CD1-CZ3 3.47Å
614	M	92.4	Very high	82.3	Confident	67 Å²	67	67.7 Å²	67.7	33%	0.33	39%	0.386	S	S	.	.			trans	-119.8	126.1	169.3	-63.5	-172.2	-72.5	0	0	111.9	V545 T584 L616	V545-M614 VanDerWaalsContact CA-CE 3.47Å; V545-M614 HydrophobicContact CB-CE 3.7Å; V545-M614 HydrophobicContact CG1-CE 3.46Å; V545-M614 VanDerWaalsContact CG1-CE 3.46Å; V545-M614 HydrophobicContact CG2-CE 3.8Å; V545-M614 HydrophobicContact CG2-SD 4.5Å; V545-M614 VanDerWaalsContact O-CE 3.31Å; V545-M614 WeakPolarHBondContact O-CE 3.4Å; T584-M614 HydrophobicContact CG2-CB 4.04Å; T584-M614 HydrophobicContact CG2-CG 3.85Å; M614-L616 HydrophobicContact CB-CD2 4.04Å; M614-L616 HydrophobicContact CB-CG 4.35Å
615	I	93	Very high	83.5	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.185	38%	0.383	C	S	.	.			trans	-104.5	111.4	179.2	-58.6	-58	0	0	0	108.5	T584 L587 I613 F642 Y646 L655	T584-I615 PolarHBondContact OG1-N 3.33Å; T584-I615 PolarHBondContact OG1-O 3.39Å; L587-I615 HydrophobicContact CD2-CB 4.19Å; L587-I615 HydrophobicContact CD2-CG1 3.48Å; L587-I615 VanDerWaalsContact CD2-CG1 3.48Å; I613-I615 HydrophobicContact CD1-CD1 4.07Å; I613-I615 HydrophobicContact CG1-CD1 4.03Å; I615-F642 HydrophobicContact CD1-CE1 3.83Å; I615-F642 HydrophobicContact CD1-CZ 3.87Å; I615-F642 HydrophobicContact CG1-CZ 4.12Å; I615-Y646 HydrophobicContact CD1-CE2 4.34Å; I615-Y646 HydrophobicContact CG1-CE2 4.12Å; I615-Y646 HydrophobicContact CG2-CE2 4.06Å; I615-L655 HydrophobicContact CD1-CD2 4.19Å
616	L	93	Very high	84.6	Confident	51 Å²	51	69.2 Å²	69.2	27%	0.267	39%	0.391	S	S	.	.			trans	-117.6	138.7	-169.6	-50.7	-177.7	0	0	0	110.1	V545 M614 W621 F623	V545-L616 HydrophobicContact CG2-CD1 4.02Å; M614-L616 HydrophobicContact CB-CD2 4.04Å; M614-L616 HydrophobicContact CB-CG 4.35Å; L616-W621 HydrophobicContact CB-CD2 4.04Å; L616-W621 HydrophobicContact CB-CG 3.9Å; L616-W621 HydrophobicContact CD1-CD2 3.84Å; L616-W621 HydrophobicContact CD1-CE3 3.78Å; L616-W621 HydrophobicContact CD1-CG 4.35Å; L616-W621 HydrophobicContact CD1-CH2 4.35Å; L616-W621 HydrophobicContact CD1-CZ2 4.43Å; L616-W621 HydrophobicContact CD1-CZ3 4.04Å; L616-W621 HydrophobicContact CD2-CD2 4.2Å; L616-W621 HydrophobicContact CD2-CH2 3.91Å; L616-W621 HydrophobicContact CD2-CZ2 3.5Å; L616-W621 VanDerWaalsContact CD2-CZ2 3.5Å; L616-W621 HydrophobicContact CD2-CZ3 4.43Å; L616-W621 HydrophobicContact CG-CD2 4.24Å; L616-W621 HydrophobicContact CG-CZ2 4.4Å; L616-F623 HydrophobicContact CD1-CD2 4.29Å; L616-F623 HydrophobicContact CD1-CE2 4.46Å
617	S	91.5	Very high	85.1	Confident	26 Å²	26	71.1 Å²	71.1	18%	0.182	41%	0.414	C	S	.	.			trans	-75.2	130.2	176.6	60.1	0	0	0	0	111.9	D580 N619 A620 W621	D580-S617 VanDerWaalsContact OD2-CB 3.3Å; D580-S617 WeakPolarHBondContact OD2-CB 3.36Å; D580-S617 PolarHBondContact OD2-N 3.09Å; D580-S617 PolarHBondContact OD2-OG 2.99Å; S617-N619 WeakPolarHBondContact CB-OD1 3.33Å; S617-N619 PolarHBondContact O-N 3.32Å; S617-N619 VanDerWaalsContact O-N 3.15Å; S617-N619 PolarHBondContact OG-OD1 3.25Å; S617-A620 PolarHBondContact O-N 3.34Å; S617-A620 WeakPolarHBondContact OG-CB 3.38Å; S617-W621 PolarHBondContact O-N 3.38Å
618	S	87.1	Confident	86.1	Confident	119 Å²	119	68.8 Å²	68.8	83%	0.832	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	-175.9	57.5	0	0	0	0	114.4
619	N	87.1	Confident	87.2	Confident	115 Å²	115	65.9 Å²	65.9	62%	0.615	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-26.9	-177.6	65.6	-7	0	0	0	113.8	K573 S617	K573-N619 WeakPolarHBondContact CE-O 3.37Å; K573-N619 PolarHBondContact NZ-O 2.84Å; S617-N619 WeakPolarHBondContact CB-OD1 3.33Å; S617-N619 PolarHBondContact O-N 3.32Å; S617-N619 VanDerWaalsContact O-N 3.15Å; S617-N619 PolarHBondContact OG-OD1 3.25Å
620	A	91.5	Very high	87.8	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.041	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-36.2	-176.9	0	0	0	0	0	111.7	R576 M577 S617	R576-A620 HydrophobicContact CB-CB 3.76Å; R576-A620 HydrophobicContact CG-CB 3.63Å; M577-A620 WeakPolarHBondContact CE-O 3.34Å; S617-A620 PolarHBondContact O-N 3.34Å; S617-A620 WeakPolarHBondContact OG-CB 3.38Å
621	W	93.4	Very high	88.1	Confident	13 Å²	13	60.2 Å²	60.2	5%	0.049	35%	0.35	C	S	.	.			trans	-90.8	136.7	-172.8	-66.1	77.4	0	0	0	112.4	A541 L544 V545 M577 D580 V581 L616 S617 F623	A541-W621 HydrophobicContact CB-CE3 3.67Å; A541-W621 HydrophobicContact CB-CZ3 3.82Å; A541-W621 WeakPolarHBondContact O-CZ3 3.42Å; L544-W621 HydrophobicContact CB-CH2 3.89Å; L544-W621 HydrophobicContact CB-CZ3 4.29Å; L544-W621 HydrophobicContact CD1-CH2 3.97Å; V545-W621 HydrophobicContact CG2-CE3 4.45Å; V545-W621 HydrophobicContact CG2-CH2 4.38Å; V545-W621 HydrophobicContact CG2-CZ3 3.74Å; M577-W621 HydrophobicContact CB-CD2 4.41Å; M577-W621 HydrophobicContact CB-CH2 4.04Å; M577-W621 HydrophobicContact CB-CZ2 3.53Å; M577-W621 HydrophobicContact CG-CD2 3.85Å; M577-W621 HydrophobicContact CG-CE3 4.29Å; M577-W621 HydrophobicContact CG-CG 4.28Å; M577-W621 HydrophobicContact CG-CH2 4.39Å; M577-W621 HydrophobicContact CG-CZ2 3.92Å; M577-W621 WeakPolarHBondContact O-CZ2 3.39Å; M577-W621 HydrophobicContact SD-CE3 4.49Å; D580-W621 HydrophobicContact CB-CZ2 4.3Å; D580-W621 PolarHBondContact OD2-NE1 3.01Å; V581-W621 HydrophobicContact CG2-CH2 3.87Å; V581-W621 HydrophobicContact CG2-CZ2 3.97Å; L616-W621 HydrophobicContact CB-CD2 4.04Å; L616-W621 HydrophobicContact CB-CG 3.9Å; L616-W621 HydrophobicContact CD1-CD2 3.84Å; L616-W621 HydrophobicContact CD1-CE3 3.78Å; L616-W621 HydrophobicContact CD1-CG 4.35Å; L616-W621 HydrophobicContact CD1-CH2 4.35Å; L616-W621 HydrophobicContact CD1-CZ2 4.43Å; L616-W621 HydrophobicContact CD1-CZ3 4.04Å; L616-W621 HydrophobicContact CD2-CD2 4.2Å; L616-W621 HydrophobicContact CD2-CH2 3.91Å; L616-W621 HydrophobicContact CD2-CZ2 3.5Å; L616-W621 VanDerWaalsContact CD2-CZ2 3.5Å; L616-W621 HydrophobicContact CD2-CZ3 4.43Å; L616-W621 HydrophobicContact CG-CD2 4.24Å; L616-W621 HydrophobicContact CG-CZ2 4.4Å; S617-W621 PolarHBondContact O-N 3.38Å; W621-F623 HydrophobicContact CB-CD2 4.28Å; W621-F623 AromaticContact CE3-CD2 3.94Å; W621-F623 HydrophobicContact CE3-CD2 3.94Å; W621-F623 AromaticContact CE3-CE2 3.54Å; W621-F623 HydrophobicContact CE3-CE2 3.54Å; W621-F623 AromaticContact CZ3-CE2 3.99Å; W621-F623 HydrophobicContact CZ3-CE2 3.99Å; W621-F623 PolarHBondContact O-N 2.95Å; W621-F623 VanDerWaalsContact O-N 3.15Å
622	P	88.9	Confident	88.1	Confident	41 Å²	41	58.1 Å²	58.1	27%	0.266	34%	0.342	S	S	.	.			trans	-84	21.5	-176.4	35	-35.7	0	0	0	113.1	K538 A541	K538-P622 HydrophobicContact CB-CG 4.34Å; A541-P622 HydrophobicContact CB-CG 3.88Å
623	F	87.9	Confident	88.1	Confident	32 Å²	32	57.3 Å²	57.3	14%	0.14	34%	0.343	C	S	.	.			trans	-98.8	142.3	-177	-58.1	-47.3	0	0	0	111.2	A541 R542 V545 L616 W621 L661	A541-F623 HydrophobicContact CB-CE1 4.25Å; A541-F623 HydrophobicContact CB-CE2 3.79Å; A541-F623 HydrophobicContact CB-CZ 3.51Å; R542-F623 HydrophobicContact CG-CE1 4.21Å; R542-F623 HydrophobicContact CG-CZ 4.2Å; V545-F623 HydrophobicContact CG2-CE2 3.68Å; V545-F623 HydrophobicContact CG2-CZ 4.25Å; L616-F623 HydrophobicContact CD1-CD2 4.29Å; L616-F623 HydrophobicContact CD1-CE2 4.46Å; W621-F623 HydrophobicContact CB-CD2 4.28Å; W621-F623 AromaticContact CE3-CD2 3.94Å; W621-F623 HydrophobicContact CE3-CD2 3.94Å; W621-F623 AromaticContact CE3-CE2 3.54Å; W621-F623 HydrophobicContact CE3-CE2 3.54Å; W621-F623 AromaticContact CZ3-CE2 3.99Å; W621-F623 HydrophobicContact CZ3-CE2 3.99Å; W621-F623 PolarHBondContact O-N 2.95Å; W621-F623 VanDerWaalsContact O-N 3.15Å; F623-L661 HydrophobicContact CB-CD1 3.74Å; F623-L661 HydrophobicContact CD1-CD1 3.62Å; F623-L661 HydrophobicContact CD1-CD2 4.27Å; F623-L661 HydrophobicContact CD2-CD1 3.47Å; F623-L661 VanDerWaalsContact CD2-CD1 3.47Å; F623-L661 HydrophobicContact CE1-CD1 4.02Å; F623-L661 HydrophobicContact CE1-CD2 4.21Å; F623-L661 HydrophobicContact CE2-CD1 3.86Å; F623-L661 HydrophobicContact CG-CD1 3.33Å; F623-L661 HydrophobicContact CZ-CD1 4.12Å
624	Q	83.6	Confident	87.7	Confident	145 Å²	145	60.5 Å²	60.5	68%	0.678	36%	0.358	S	S	*	.			trans	-126.1	135.4	174.9	-66.6	179.3	-9.7	0	0	108	Q626 H660	Q624-Q626 PolarHBondContact O-N 3.24Å; Q624-H660 PolarHBondContact O-CE1 3.08Å
625	A	82.6	Confident	87.5	Confident	46 Å²	46	58.7 Å²	58.7	38%	0.38	35%	0.349	S	S	.	.			trans	-60.2	138	173.1	0	0	0	0	0	109.7	T656 W657	A625-T656 HydrophobicContact CB-CG2 3.57Å; A625-W657 WeakPolarHBondContact CB-O 3.45Å
626	Q	82.6	Confident	87.3	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	36%	0.362	S	S	.	.			trans	-86	-179.2	175.9	-69.7	-177	-6.3	0	0	109.8	Q624 H660	Q624-Q626 PolarHBondContact O-N 3.24Å; Q626-H660 VanDerWaalsContact CD-CG 3.44Å; Q626-H660 HydrophobicContact CG-CB 4.35Å; Q626-H660 VanDerWaalsContact OE1-CB 3.25Å
627	G	75.4	Confident	87	Confident	53 Å²	53	63.3 Å²	63.3	55%	0.546	37%	0.369	S	S	.	.	S	Bend	trans	-56.1	-175	-174.3	0	0	0	0	0	115.7	F629	G627-F629 PolarHBondContact O-N 3.38Å
628	P	81.1	Confident	86.8	Confident	115 Å²	115	62.2 Å²	62.2	75%	0.747	36%	0.361	S	S	*	.			trans	-57.9	140.5	-177.8	27.1	-34.3	0	0	0	110.5
629	F	90.9	Very high	86.8	Confident	26 Å²	26	58.1 Å²	58.1	11%	0.114	33%	0.328	C	S	.	.			trans	-145.5	130.3	178.2	165.8	-104.5	0	0	0	108.3	G627 I631 Y659 T681 Y682 S685 T705 I707	G627-F629 PolarHBondContact O-N 3.38Å; F629-I631 HydrophobicContact CE1-CB 4.44Å; F629-Y659 HydrophobicContact CB-CD2 4.22Å; F629-Y659 AromaticContact CD1-CD1 3.87Å; F629-Y659 HydrophobicContact CD1-CD1 3.87Å; F629-Y659 AromaticContact CD1-CD2 3.43Å; F629-Y659 HydrophobicContact CD1-CD2 3.43Å; F629-Y659 VanDerWaalsContact CD1-CD2 3.43Å; F629-Y659 HydrophobicContact CD1-CE1 4.29Å; F629-Y659 AromaticContact CD1-CE2 3.88Å; F629-Y659 HydrophobicContact CD1-CE2 3.88Å; F629-Y659 AromaticContact CD1-CG 3.41Å; F629-Y659 HydrophobicContact CD1-CG 3.41Å; F629-Y659 VanDerWaalsContact CD1-CG 3.41Å; F629-Y659 AromaticContact CE1-CD1 3.77Å; F629-Y659 HydrophobicContact CE1-CD1 3.77Å; F629-Y659 HydrophobicContact CE1-CD2 4.19Å; F629-Y659 HydrophobicContact CE1-CE1 4.26Å; F629-Y659 AromaticContact CE1-CG 3.73Å; F629-Y659 HydrophobicContact CE1-CG 3.73Å; F629-Y659 HydrophobicContact CG-CD2 4.22Å; F629-Y659 HydrophobicContact CG-CG 4.36Å; F629-T681 HydrophobicContact CE1-CG2 3.98Å; F629-T681 HydrophobicContact CZ-CG2 3.84Å; F629-Y682 HydrophobicContact CB-CE1 4.19Å; F629-Y682 HydrophobicContact CD1-CE1 4.32Å; F629-Y682 AromaticContact CD2-CD1 3.59Å; F629-Y682 HydrophobicContact CD2-CD1 3.59Å; F629-Y682 AromaticContact CD2-CE1 3.45Å; F629-Y682 HydrophobicContact CD2-CE1 3.45Å; F629-Y682 VanDerWaalsContact CD2-CE1 3.45Å; F629-Y682 AromaticContact CE2-CD1 3.5Å; F629-Y682 HydrophobicContact CE2-CD1 3.5Å; F629-Y682 AromaticContact CE2-CE1 3.84Å; F629-Y682 HydrophobicContact CE2-CE1 3.84Å; F629-Y682 HydrophobicContact CG-CD1 4.25Å; F629-Y682 AromaticContact CG-CE1 3.71Å; F629-Y682 HydrophobicContact CG-CE1 3.71Å; F629-Y682 HydrophobicContact CZ-CD1 4.09Å; F629-Y682 HydrophobicContact CZ-CE1 4.39Å; F629-S685 WeakPolarHBondContact CE2-OG 3.47Å; F629-S685 WeakPolarHBondContact CZ-OG 3.49Å; F629-T705 WeakPolarHBondContact CD2-O 3.44Å; F629-I707 HydrophobicContact CD2-CG1 4.11Å; F629-I707 HydrophobicContact CE2-CG1 4.37Å
630	S	91.1	Very high	86.9	Confident	61 Å²	61	56.3 Å²	56.3	43%	0.427	32%	0.319	S	S	.	.			trans	-87.6	112.2	177.6	-61.9	0	0	0	0	108.8	Q704 T705	S630-Q704 WeakPolarHBondContact CB-O 3.39Å; S630-T705 PolarHBondContact N-O 2.94Å
631	I	89.5	Confident	86.8	Confident	44 Å²	44	57.6 Å²	57.6	23%	0.226	33%	0.326	C	S	.	.			trans	-63.9	133.1	175.3	-167.6	169.1	0	0	0	109.5	F629 L635 H639 Y659	F629-I631 HydrophobicContact CE1-CB 4.44Å; I631-L635 HydrophobicContact CD1-CB 3.94Å; I631-L635 HydrophobicContact CG1-CB 3.87Å; I631-H639 HydrophobicContact CD1-CB 3.74Å; I631-Y659 HydrophobicContact CD1-CE1 4.34Å
632	P	88	Confident	86.7	Confident	9 Å²	9	57 Å²	57	6%	0.058	32%	0.324	C	S	.	.			trans	-56.9	140.7	174.4	-27	35	0	0	0	111.3	E634 L635 E636 S685	P632-E634 WeakPolarHBondContact CB-OE2 3.4Å; P632-E634 PolarHBondContact O-N 3.41Å; P632-E634 VanDerWaalsContact O-N 3.09Å; P632-L635 HydrophobicContact CG-CD1 4.35Å; P632-L635 PolarHBondContact O-N 2.85Å; P632-E636 PolarHBondContact O-N 3.29Å; P632-S685 WeakPolarHBondContact CD-OG 3.3Å; P632-S685 WeakPolarHBondContact CG-OG 3.49Å
633	P	87	Confident	86.8	Confident	100 Å²	100	57.4 Å²	57.4	65%	0.649	32%	0.324	S	S	*	.	H	α-helix	trans	-52.2	-34.5	178.4	-27.1	34.8	0	0	0	113	L635 E636	P633-L635 PolarHBondContact O-N 2.83Å; P633-E636 WeakPolarHBondContact O-CB 3.4Å; P633-E636 PolarHBondContact O-N 3.1Å
634	E	84.7	Confident	86.9	Confident	83 Å²	83	57.8 Å²	57.8	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-22.4	178.8	-60	84.4	173.7	0	0	113.5	P632	P632-E634 WeakPolarHBondContact CB-OE2 3.4Å; P632-E634 PolarHBondContact O-N 3.41Å; P632-E634 VanDerWaalsContact O-N 3.09Å
635	L	88.1	Confident	87.3	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-105.1	-8.2	179.4	-60	179.3	0	0	0	113.1	T609 I631 P632 P633 Q637 C638 H639 M684	T609-L635 HydrophobicContact CG2-CD2 4.5Å; I631-L635 HydrophobicContact CD1-CB 3.94Å; I631-L635 HydrophobicContact CG1-CB 3.87Å; P632-L635 HydrophobicContact CG-CD1 4.35Å; P632-L635 PolarHBondContact O-N 2.85Å; P633-L635 PolarHBondContact O-N 2.83Å; L635-Q637 VanDerWaalsContact C-N 3.28Å; L635-Q637 PolarHBondContact O-N 2.94Å; L635-C638 WeakPolarHBondContact O-CB 3.31Å; L635-C638 PolarHBondContact O-N 2.69Å; L635-C638 VanDerWaalsContact O-N 3.17Å; L635-H639 PolarHBondContact O-N 2.99Å; L635-H639 VanDerWaalsContact O-N 3.12Å; L635-M684 HydrophobicContact CD1-CE 3.52Å; L635-M684 HydrophobicContact CD1-SD 4.07Å
636	E	88.3	Confident	87.8	Confident	97 Å²	97	49.3 Å²	49.3	45%	0.453	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-35.9	-177.2	-169.3	173.1	-160.3	0	0	111.7	P632 P633 C638 H639 N640	P632-E636 PolarHBondContact O-N 3.29Å; P633-E636 WeakPolarHBondContact O-CB 3.4Å; P633-E636 PolarHBondContact O-N 3.1Å; E636-C638 PolarHBondContact O-N 3.12Å; E636-H639 WeakPolarHBondContact O-CB 3.22Å; E636-H639 PolarHBondContact O-N 3.11Å; E636-N640 WeakPolarHBondContact O-CB 3.16Å; E636-N640 VanDerWaalsContact O-CG 3.27Å; E636-N640 PolarHBondContact O-N 3.38Å; E636-N640 PolarHBondContact O-ND2 2.79Å
637	Q	86.2	Confident	88.1	Confident	87 Å²	87	51 Å²	51	41%	0.407	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174.9	-168.9	-175.2	4.7	0	0	111.7	T605 I606 L635 H639 N640 T641	T605-Q637 PolarHBondContact O-NE2 3.24Å; I606-Q637 HydrophobicContact CG1-CG 4.41Å; L635-Q637 VanDerWaalsContact C-N 3.28Å; L635-Q637 PolarHBondContact O-N 2.94Å; Q637-H639 VanDerWaalsContact C-N 3.34Å; Q637-H639 PolarHBondContact O-N 2.93Å; Q637-N640 PolarHBondContact O-N 3.05Å; Q637-T641 VanDerWaalsContact O-CB 3.25Å; Q637-T641 WeakPolarHBondContact O-CB 3.48Å; Q637-T641 PolarHBondContact O-N 3.26Å; Q637-T641 PolarHBondContact O-OG1 2.85Å
638	C	87.1	Confident	88.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-46	177	-59.2	0	0	0	0	110.9	I606 F611 L635 E636 F642	I606-C638 WeakPolarHBondContact CG2-SG 3Å; F611-C638 HydrophobicContact CD2-CB 3.63Å; F611-C638 HydrophobicContact CE2-CB 3.8Å; F611-C638 HydrophobicContact CG-CB 4.1Å; F611-C638 HydrophobicContact CZ-CB 4.39Å; L635-C638 WeakPolarHBondContact O-CB 3.31Å; L635-C638 PolarHBondContact O-N 2.69Å; L635-C638 VanDerWaalsContact O-N 3.17Å; E636-C638 PolarHBondContact O-N 3.12Å; C638-F642 WeakPolarHBondContact O-CB 3.43Å; C638-F642 PolarHBondContact O-N 3.33Å; C638-F642 VanDerWaalsContact O-N 3.07Å
639	H	88.6	Confident	89.2	Confident	33 Å²	33	54.3 Å²	54.3	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-51.7	178.2	173.7	-86.7	0	0	0	112	I631 L635 E636 Q637 F642 L643 W657	I631-H639 HydrophobicContact CD1-CB 3.74Å; L635-H639 PolarHBondContact O-N 2.99Å; L635-H639 VanDerWaalsContact O-N 3.12Å; E636-H639 WeakPolarHBondContact O-CB 3.22Å; E636-H639 PolarHBondContact O-N 3.11Å; Q637-H639 VanDerWaalsContact C-N 3.34Å; Q637-H639 PolarHBondContact O-N 2.93Å; H639-F642 PolarHBondContact O-N 3.36Å; H639-L643 WeakPolarHBondContact O-CB 3.5Å; H639-L643 PolarHBondContact O-N 3.48Å; H639-W657 AromaticContact CD2-CE2 3.38Å; H639-W657 AromaticContact CD2-CH2 3.84Å; H639-W657 AromaticContact CD2-CZ2 3.31Å; H639-W657 WeakPolarHBondContact CD2-CZ2 3.45Å; H639-W657 AromaticContact CD2-NE1 3.66Å; H639-W657 AromaticContact NE2-CD1 3.86Å; H639-W657 AromaticContact NE2-CE2 3.36Å; H639-W657 AromaticContact NE2-CZ2 3.57Å; H639-W657 AromaticContact NE2-NE1 3.11Å; H639-W657 PolarHBondContact NE2-NE1 3.49Å; H639-W657 VanDerWaalsContact NE2-NE1 3.11Å
640	N	89.3	Confident	89	Confident	77 Å²	77	55.7 Å²	55.7	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-40.2	-175	-67.1	-16.2	0	0	0	112	E636 Q637 L643 A644	E636-N640 WeakPolarHBondContact O-CB 3.16Å; E636-N640 VanDerWaalsContact O-CG 3.27Å; E636-N640 PolarHBondContact O-N 3.38Å; E636-N640 PolarHBondContact O-ND2 2.79Å; Q637-N640 PolarHBondContact O-N 3.05Å; N640-L643 PolarHBondContact O-N 2.96Å; N640-A644 PolarHBondContact O-N 3.15Å
641	T	89.3	Confident	88.8	Confident	33 Å²	33	59 Å²	59	20%	0.202	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-44	177.9	-53.9	0	0	0	0	111.1	F591 Y594 L595 I606 Q637 F645	F591-T641 HydrophobicContact CE2-CG2 4.33Å; F591-T641 HydrophobicContact CZ-CG2 4.25Å; Y594-T641 HydrophobicContact CE1-CG2 4.26Å; L595-T641 HydrophobicContact CD2-CG2 3.72Å; I606-T641 HydrophobicContact CD1-CG2 4.32Å; Q637-T641 VanDerWaalsContact O-CB 3.25Å; Q637-T641 WeakPolarHBondContact O-CB 3.48Å; Q637-T641 PolarHBondContact O-N 3.26Å; Q637-T641 PolarHBondContact O-OG1 2.85Å; T641-F645 PolarHBondContact O-N 3.25Å; T641-F645 VanDerWaalsContact O-N 3.13Å
642	F	91.2	Very high	88.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.3	-39.5	177	-176.8	-93.5	0	0	0	112.3	L587 F591 F611 I613 I615 C638 H639 A644 F645 Y646 L655 W657	L587-F642 HydrophobicContact CD2-CZ 4.19Å; F591-F642 HydrophobicContact CD1-CD2 4.13Å; F591-F642 AromaticContact CD2-CD2 3.87Å; F591-F642 HydrophobicContact CD2-CD2 3.87Å; F591-F642 HydrophobicContact CD2-CE2 4.41Å; F591-F642 HydrophobicContact CE1-CD2 4.11Å; F591-F642 HydrophobicContact CE2-CB 4.19Å; F591-F642 AromaticContact CE2-CD2 3.84Å; F591-F642 HydrophobicContact CE2-CD2 3.84Å; F591-F642 AromaticContact CG-CD2 4Å; F591-F642 HydrophobicContact CG-CD2 4Å; F591-F642 HydrophobicContact CG-CE2 4.35Å; F591-F642 HydrophobicContact CZ-CB 3.96Å; F591-F642 AromaticContact CZ-CD2 3.96Å; F591-F642 HydrophobicContact CZ-CD2 3.96Å; F591-F642 HydrophobicContact CZ-CG 4.49Å; F611-F642 HydrophobicContact CE1-CB 4.04Å; F611-F642 HydrophobicContact CE1-CD2 4.25Å; F611-F642 HydrophobicContact CE1-CG 4.23Å; F611-F642 HydrophobicContact CZ-CB 4.4Å; I613-F642 HydrophobicContact CD1-CD1 3.53Å; I613-F642 HydrophobicContact CD1-CD2 4.41Å; I613-F642 HydrophobicContact CD1-CE1 3.46Å; I613-F642 VanDerWaalsContact CD1-CE1 3.46Å; I613-F642 HydrophobicContact CD1-CE2 4.37Å; I613-F642 HydrophobicContact CD1-CG 4.01Å; I613-F642 HydrophobicContact CD1-CZ 3.89Å; I613-F642 HydrophobicContact CG1-CE1 4.42Å; I613-F642 HydrophobicContact CG1-CZ 4.43Å; I613-F642 HydrophobicContact CG2-CD2 3.9Å; I613-F642 HydrophobicContact CG2-CE1 4.4Å; I613-F642 HydrophobicContact CG2-CE2 3.42Å; I613-F642 VanDerWaalsContact CG2-CE2 3.42Å; I613-F642 HydrophobicContact CG2-CZ 3.69Å; I615-F642 HydrophobicContact CD1-CE1 3.83Å; I615-F642 HydrophobicContact CD1-CZ 3.87Å; I615-F642 HydrophobicContact CG1-CZ 4.12Å; C638-F642 WeakPolarHBondContact O-CB 3.43Å; C638-F642 PolarHBondContact O-N 3.33Å; C638-F642 VanDerWaalsContact O-N 3.07Å; H639-F642 PolarHBondContact O-N 3.36Å; F642-A644 VanDerWaalsContact C-N 3.33Å; F642-A644 PolarHBondContact O-N 3.35Å; F642-F645 HydrophobicContact CD2-CD1 4.02Å; F642-F645 AromaticContact CE2-CD1 3.77Å; F642-F645 HydrophobicContact CE2-CD1 3.77Å; F642-F645 AromaticContact CE2-CE1 3.99Å; F642-F645 HydrophobicContact CE2-CE1 3.99Å; F642-F645 HydrophobicContact CZ-CD1 4.46Å; F642-F645 PolarHBondContact O-N 3.37Å; F642-Y646 AromaticContact CE1-CD2 3.98Å; F642-Y646 HydrophobicContact CE1-CD2 3.98Å; F642-Y646 HydrophobicContact CE1-CG 4.23Å; F642-Y646 AromaticContact CZ-CD2 3.84Å; F642-Y646 HydrophobicContact CZ-CD2 3.84Å; F642-Y646 HydrophobicContact CZ-CG 4.46Å; F642-Y646 WeakPolarHBondContact O-CB 3.21Å; F642-Y646 PolarHBondContact O-N 3.28Å; F642-L655 HydrophobicContact CD1-CD1 4.49Å; F642-L655 HydrophobicContact CE1-CD1 4.06Å; F642-W657 HydrophobicContact CD1-CH2 4.05Å; F642-W657 HydrophobicContact CD1-CZ2 4.49Å
643	L	90.6	Very high	88.8	Confident	50 Å²	50	68.1 Å²	68.1	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-42.9	178.7	-172.4	67.3	0	0	0	111.6	H639 N640 Y646 Q647 L655	H639-L643 WeakPolarHBondContact O-CB 3.5Å; H639-L643 PolarHBondContact O-N 3.48Å; N640-L643 PolarHBondContact O-N 2.96Å; L643-Y646 PolarHBondContact O-N 3.44Å; L643-Q647 WeakPolarHBondContact O-CB 3.22Å; L643-Q647 VanDerWaalsContact O-CG 3.27Å; L643-Q647 WeakPolarHBondContact O-CG 3.49Å; L643-Q647 PolarHBondContact O-N 3.4Å; L643-L655 HydrophobicContact CD1-CD1 4.07Å
644	A	89.9	Confident	88.8	Confident	39 Å²	39	72.3 Å²	72.3	32%	0.322	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-51.6	175	0	0	0	0	0	111.3	N640 F642 Y646 Q647 E648	N640-A644 PolarHBondContact O-N 3.15Å; F642-A644 VanDerWaalsContact C-N 3.33Å; F642-A644 PolarHBondContact O-N 3.35Å; A644-Y646 VanDerWaalsContact C-N 3.32Å; A644-Y646 PolarHBondContact O-N 3.25Å; A644-Q647 PolarHBondContact O-N 3.44Å; A644-E648 WeakPolarHBondContact O-CG 3.37Å; A644-E648 PolarHBondContact O-N 2.95Å; A644-E648 VanDerWaalsContact O-N 3.11Å
645	F	91.5	Very high	89	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-54.1	-46.6	175	164.5	-102.2	0	0	0	112.5	L587 K590 F591 Y594 T641 F642 Q647 E648 H649	L587-F645 HydrophobicContact CD1-CE1 3.71Å; L587-F645 HydrophobicContact CD1-CZ 3.95Å; L587-F645 HydrophobicContact CG-CE1 4.18Å; K590-F645 HydrophobicContact CB-CE2 4.44Å; K590-F645 HydrophobicContact CB-CZ 4.02Å; F591-F645 HydrophobicContact CB-CD1 4.24Å; F591-F645 HydrophobicContact CB-CE1 3.8Å; F591-F645 HydrophobicContact CB-CE2 4.5Å; F591-F645 HydrophobicContact CB-CZ 3.94Å; F591-F645 HydrophobicContact CD2-CB 3.85Å; F591-F645 AromaticContact CD2-CD1 3.42Å; F591-F645 HydrophobicContact CD2-CD1 3.42Å; F591-F645 VanDerWaalsContact CD2-CD1 3.42Å; F591-F645 AromaticContact CD2-CD2 4Å; F591-F645 HydrophobicContact CD2-CD2 4Å; F591-F645 AromaticContact CD2-CE1 3.89Å; F591-F645 HydrophobicContact CD2-CE1 3.89Å; F591-F645 HydrophobicContact CD2-CE2 4.4Å; F591-F645 AromaticContact CD2-CG 3.47Å; F591-F645 HydrophobicContact CD2-CG 3.47Å; F591-F645 VanDerWaalsContact CD2-CG 3.47Å; F591-F645 HydrophobicContact CD2-CZ 4.35Å; F591-F645 HydrophobicContact CE2-CB 3.84Å; F591-F645 HydrophobicContact CE2-CD1 4.14Å; F591-F645 HydrophobicContact CE2-CG 4.02Å; F591-F645 HydrophobicContact CG-CD1 4.17Å; F591-F645 HydrophobicContact CG-CE1 4.24Å; Y594-F645 HydrophobicContact CD1-CB 4Å; Y594-F645 AromaticContact CD1-CD2 3.98Å; Y594-F645 HydrophobicContact CD1-CD2 3.98Å; Y594-F645 HydrophobicContact CD1-CG 4.32Å; Y594-F645 AromaticContact CD2-CD2 3.75Å; Y594-F645 HydrophobicContact CD2-CD2 3.75Å; Y594-F645 HydrophobicContact CE1-CB 3.93Å; Y594-F645 HydrophobicContact CE2-CD2 4.37Å; Y594-F645 HydrophobicContact CG-CB 4.37Å; Y594-F645 AromaticContact CG-CD2 3.53Å; Y594-F645 HydrophobicContact CG-CD2 3.53Å; Y594-F645 HydrophobicContact CG-CE2 4.23Å; Y594-F645 HydrophobicContact CG-CG 4.31Å; T641-F645 PolarHBondContact O-N 3.25Å; T641-F645 VanDerWaalsContact O-N 3.13Å; F642-F645 HydrophobicContact CD2-CD1 4.02Å; F642-F645 AromaticContact CE2-CD1 3.77Å; F642-F645 HydrophobicContact CE2-CD1 3.77Å; F642-F645 AromaticContact CE2-CE1 3.99Å; F642-F645 HydrophobicContact CE2-CE1 3.99Å; F642-F645 HydrophobicContact CZ-CD1 4.46Å; F642-F645 PolarHBondContact O-N 3.37Å; F645-Q647 PolarHBondContact O-N 3.15Å; F645-E648 PolarHBondContact O-N 3.27Å; F645-H649 AromaticContact CD2-CD2 3.59Å; F645-H649 AromaticContact CD2-NE2 3.93Å; F645-H649 AromaticContact CE2-CD2 3.32Å; F645-H649 WeakPolarHBondContact CE2-CD2 3.46Å; F645-H649 AromaticContact CE2-NE2 3.45Å; F645-H649 WeakPolarHBondContact CE2-NE2 3.28Å; F645-H649 AromaticContact CZ-CD2 3.92Å; F645-H649 PolarHBondContact O-CD2 2.58Å; F645-H649 PolarHBondContact O-N 3.4Å
646	Y	92.8	Very high	89.1	Confident	13 Å²	13	73.7 Å²	73.7	5%	0.051	39%	0.388	C	S	.	.	H	α-helix	trans	-66.8	-38	-177.2	-166.7	-91.1	0	0	0	112.1	L587 I615 F642 L643 A644 H649 H650 R653 L655	L587-Y646 HydrophobicContact CD2-CD2 4.3Å; L587-Y646 HydrophobicContact CD2-CE2 4.17Å; I615-Y646 HydrophobicContact CD1-CE2 4.34Å; I615-Y646 HydrophobicContact CG1-CE2 4.12Å; I615-Y646 HydrophobicContact CG2-CE2 4.06Å; F642-Y646 AromaticContact CE1-CD2 3.98Å; F642-Y646 HydrophobicContact CE1-CD2 3.98Å; F642-Y646 HydrophobicContact CE1-CG 4.23Å; F642-Y646 AromaticContact CZ-CD2 3.84Å; F642-Y646 HydrophobicContact CZ-CD2 3.84Å; F642-Y646 HydrophobicContact CZ-CG 4.46Å; F642-Y646 WeakPolarHBondContact O-CB 3.21Å; F642-Y646 PolarHBondContact O-N 3.28Å; L643-Y646 PolarHBondContact O-N 3.44Å; A644-Y646 VanDerWaalsContact C-N 3.32Å; A644-Y646 PolarHBondContact O-N 3.25Å; Y646-H649 PolarHBondContact O-N 3.21Å; Y646-H650 HydrophobicContact CD1-CB 4.24Å; Y646-H650 AromaticContact CD2-CD2 3.83Å; Y646-H650 HydrophobicContact CE1-CB 3.86Å; Y646-H650 AromaticContact CE2-CD2 3.42Å; Y646-H650 VanDerWaalsContact CE2-CD2 3.42Å; Y646-H650 WeakPolarHBondContact CE2-CD2 3.33Å; Y646-H650 AromaticContact CZ-CD2 3.51Å; Y646-H650 WeakPolarHBondContact O-CB 3.37Å; Y646-H650 PolarHBondContact O-N 2.96Å; Y646-R653 HydrophobicContact CE1-CB 4.1Å; Y646-R653 WeakPolarHBondContact OH-CD 3.43Å; Y646-R653 PolarHBondContact OH-NH1 2.81Å; Y646-L655 HydrophobicContact CD1-CD1 3.77Å; Y646-L655 HydrophobicContact CD1-CD2 4.03Å; Y646-L655 HydrophobicContact CD1-CG 3.95Å; Y646-L655 HydrophobicContact CD2-CD1 4.45Å; Y646-L655 HydrophobicContact CE1-CD1 4.28Å; Y646-L655 HydrophobicContact CE1-CD2 3.65Å; Y646-L655 HydrophobicContact CE1-CG 4.01Å; Y646-L655 HydrophobicContact CE2-CD2 4.32Å; Y646-L655 HydrophobicContact CG-CD1 3.87Å; Y646-L655 HydrophobicContact CG-CG 4.5Å
647	Q	90.3	Very high	89.2	Confident	119 Å²	119	71.8 Å²	71.8	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-35.8	178.1	-74.5	175	-2.9	0	0	112.6	L643 A644 F645 H649	L643-Q647 WeakPolarHBondContact O-CB 3.22Å; L643-Q647 VanDerWaalsContact O-CG 3.27Å; L643-Q647 WeakPolarHBondContact O-CG 3.49Å; L643-Q647 PolarHBondContact O-N 3.4Å; A644-Q647 PolarHBondContact O-N 3.44Å; F645-Q647 PolarHBondContact O-N 3.15Å; Q647-H649 VanDerWaalsContact C-N 3.34Å
648	E	89.4	Confident	89.5	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-37.6	175.4	-72.3	-178.9	-177.4	0	0	112.2	A644 F645	A644-E648 WeakPolarHBondContact O-CG 3.37Å; A644-E648 PolarHBondContact O-N 2.95Å; A644-E648 VanDerWaalsContact O-N 3.11Å; F645-E648 PolarHBondContact O-N 3.27Å
649	H	88.5	Confident	89.7	Confident	104 Å²	104	71.3 Å²	71.3	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-88.8	-22.8	-178.7	-79.5	-77.6	0	0	0	114.4	F645 Y646 Q647	F645-H649 AromaticContact CD2-CD2 3.59Å; F645-H649 AromaticContact CD2-NE2 3.93Å; F645-H649 AromaticContact CE2-CD2 3.32Å; F645-H649 WeakPolarHBondContact CE2-CD2 3.46Å; F645-H649 AromaticContact CE2-NE2 3.45Å; F645-H649 WeakPolarHBondContact CE2-NE2 3.28Å; F645-H649 AromaticContact CZ-CD2 3.92Å; F645-H649 PolarHBondContact O-CD2 2.58Å; F645-H649 PolarHBondContact O-N 3.4Å; Y646-H649 PolarHBondContact O-N 3.21Å; Q647-H649 VanDerWaalsContact C-N 3.34Å
650	H	88.4	Confident	89.6	Confident	55 Å²	55	71.2 Å²	71.2	26%	0.255	38%	0.376	S	S	.	.			trans	-138.2	109.3	-174.8	-62.4	-54.5	0	0	0	112.2	Y646	Y646-H650 HydrophobicContact CD1-CB 4.24Å; Y646-H650 AromaticContact CD2-CD2 3.83Å; Y646-H650 HydrophobicContact CE1-CB 3.86Å; Y646-H650 AromaticContact CE2-CD2 3.42Å; Y646-H650 VanDerWaalsContact CE2-CD2 3.42Å; Y646-H650 WeakPolarHBondContact CE2-CD2 3.33Å; Y646-H650 AromaticContact CZ-CD2 3.51Å; Y646-H650 WeakPolarHBondContact O-CB 3.37Å; Y646-H650 PolarHBondContact O-N 2.96Å
651	T	86.4	Confident	89.6	Confident	131 Å²	131	68.4 Å²	68.4	80%	0.804	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	146.5	174.3	58.4	0	0	0	0	111.5	R653	T651-R653 VanDerWaalsContact C-N 3.34Å; T651-R653 PolarHBondContact O-N 3.34Å
652	G	87.7	Confident	89.7	Confident	90 Å²	90	69.1 Å²	69.1	93%	0.928	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	8.9	174.4	0	0	0	0	0	116.4
653	R	89.1	Confident	89.7	Confident	154 Å²	154	74.6 Å²	74.6	58%	0.581	39%	0.388	S	S	*	.			trans	-105.8	141.4	177.6	-61.6	-173.8	-174.3	173.1	0	111.1	Y646 T651	Y646-R653 HydrophobicContact CE1-CB 4.1Å; Y646-R653 WeakPolarHBondContact OH-CD 3.43Å; Y646-R653 PolarHBondContact OH-NH1 2.81Å; T651-R653 VanDerWaalsContact C-N 3.34Å; T651-R653 PolarHBondContact O-N 3.34Å
654	K	86.6	Confident	89.8	Confident	188 Å²	188	73.2 Å²	73.2	82%	0.817	39%	0.387	S	S	*	.			trans	-109.4	126.1	172.9	-177.1	179.1	178.6	-179.2	0	109.6
655	L	90.4	Very high	90	Very high	40 Å²	40	75.8 Å²	75.8	21%	0.209	39%	0.392	C	S	.	.			trans	-85.1	138.9	173.1	-63.7	-179.2	0	0	0	110.4	I615 F642 L643 Y646	I615-L655 HydrophobicContact CD1-CD2 4.19Å; F642-L655 HydrophobicContact CD1-CD1 4.49Å; F642-L655 HydrophobicContact CE1-CD1 4.06Å; L643-L655 HydrophobicContact CD1-CD1 4.07Å; Y646-L655 HydrophobicContact CD1-CD1 3.77Å; Y646-L655 HydrophobicContact CD1-CD2 4.03Å; Y646-L655 HydrophobicContact CD1-CG 3.95Å; Y646-L655 HydrophobicContact CD2-CD1 4.45Å; Y646-L655 HydrophobicContact CE1-CD1 4.28Å; Y646-L655 HydrophobicContact CE1-CD2 3.65Å; Y646-L655 HydrophobicContact CE1-CG 4.01Å; Y646-L655 HydrophobicContact CE2-CD2 4.32Å; Y646-L655 HydrophobicContact CG-CD1 3.87Å; Y646-L655 HydrophobicContact CG-CG 4.5Å
656	T	90.3	Very high	90.1	Very high	102 Å²	102	76.6 Å²	76.6	63%	0.626	40%	0.397	S	S	*	.			trans	-125.2	123.5	171.4	-52.8	0	0	0	0	107.3	A625	A625-T656 HydrophobicContact CB-CG2 3.57Å
657	W	90.3	Very high	90.1	Very high	57 Å²	57	80.2 Å²	80.2	22%	0.216	42%	0.42	C	S	.	.			trans	-90.7	129.9	-171.3	-63.3	89.5	0	0	0	111.5	I613 A625 H639 F642 Y659	I613-W657 HydrophobicContact CD1-CE3 4.49Å; I613-W657 HydrophobicContact CD1-CH2 3.58Å; I613-W657 HydrophobicContact CD1-CZ3 3.47Å; I613-W657 VanDerWaalsContact CD1-CZ3 3.47Å; A625-W657 WeakPolarHBondContact CB-O 3.45Å; H639-W657 AromaticContact CD2-CE2 3.38Å; H639-W657 AromaticContact CD2-CH2 3.84Å; H639-W657 AromaticContact CD2-CZ2 3.31Å; H639-W657 WeakPolarHBondContact CD2-CZ2 3.45Å; H639-W657 AromaticContact CD2-NE1 3.66Å; H639-W657 AromaticContact NE2-CD1 3.86Å; H639-W657 AromaticContact NE2-CE2 3.36Å; H639-W657 AromaticContact NE2-CZ2 3.57Å; H639-W657 AromaticContact NE2-NE1 3.11Å; H639-W657 PolarHBondContact NE2-NE1 3.49Å; H639-W657 VanDerWaalsContact NE2-NE1 3.11Å; F642-W657 HydrophobicContact CD1-CH2 4.05Å; F642-W657 HydrophobicContact CD1-CZ2 4.49Å; W657-Y659 HydrophobicContact CB-CD1 4.46Å; W657-Y659 HydrophobicContact CB-CD2 4.04Å; W657-Y659 HydrophobicContact CB-CE1 3.97Å; W657-Y659 HydrophobicContact CB-CE2 3.5Å; W657-Y659 VanDerWaalsContact CB-CZ 3.46Å; W657-Y659 HydrophobicContact CE3-CE1 4.4Å; W657-Y659 HydrophobicContact CG-CE1 4.37Å; W657-Y659 HydrophobicContact CG-CE2 4.33Å; W657-Y659 AromaticContact CG-CZ 3.87Å
658	C	91.3	Very high	90.2	Very high	37 Å²	37	74.9 Å²	74.9	25%	0.25	40%	0.396	C	S	.	.			trans	-102.5	67.7	177.3	-66.9	0	0	0	0	110.8	H660 L661	C658-H660 PolarHBondContact O-N 2.76Å; C658-H660 VanDerWaalsContact O-N 3.14Å; C658-L661 HydrophobicContact CB-CB 4.48Å; C658-L661 HydrophobicContact CB-CD1 3.95Å; C658-L661 HydrophobicContact CB-CG 4.27Å; C658-L661 PolarHBondContact O-N 3.35Å
659	Y	91.1	Very high	90.3	Very high	43 Å²	43	74.8 Å²	74.8	17%	0.169	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.2	-174	-60.4	-72.6	0	0	0	114.7	F629 I631 W657 L661 S662 T681	F629-Y659 HydrophobicContact CB-CD2 4.22Å; F629-Y659 AromaticContact CD1-CD1 3.87Å; F629-Y659 HydrophobicContact CD1-CD1 3.87Å; F629-Y659 AromaticContact CD1-CD2 3.43Å; F629-Y659 HydrophobicContact CD1-CD2 3.43Å; F629-Y659 VanDerWaalsContact CD1-CD2 3.43Å; F629-Y659 HydrophobicContact CD1-CE1 4.29Å; F629-Y659 AromaticContact CD1-CE2 3.88Å; F629-Y659 HydrophobicContact CD1-CE2 3.88Å; F629-Y659 AromaticContact CD1-CG 3.41Å; F629-Y659 HydrophobicContact CD1-CG 3.41Å; F629-Y659 VanDerWaalsContact CD1-CG 3.41Å; F629-Y659 AromaticContact CE1-CD1 3.77Å; F629-Y659 HydrophobicContact CE1-CD1 3.77Å; F629-Y659 HydrophobicContact CE1-CD2 4.19Å; F629-Y659 HydrophobicContact CE1-CE1 4.26Å; F629-Y659 AromaticContact CE1-CG 3.73Å; F629-Y659 HydrophobicContact CE1-CG 3.73Å; F629-Y659 HydrophobicContact CG-CD2 4.22Å; F629-Y659 HydrophobicContact CG-CG 4.36Å; I631-Y659 HydrophobicContact CD1-CE1 4.34Å; W657-Y659 HydrophobicContact CB-CD1 4.46Å; W657-Y659 HydrophobicContact CB-CD2 4.04Å; W657-Y659 HydrophobicContact CB-CE1 3.97Å; W657-Y659 HydrophobicContact CB-CE2 3.5Å; W657-Y659 VanDerWaalsContact CB-CZ 3.46Å; W657-Y659 HydrophobicContact CE3-CE1 4.4Å; W657-Y659 HydrophobicContact CG-CE1 4.37Å; W657-Y659 HydrophobicContact CG-CE2 4.33Å; W657-Y659 AromaticContact CG-CZ 3.87Å; Y659-L661 PolarHBondContact O-N 3.35Å; Y659-S662 WeakPolarHBondContact O-CB 3.41Å; Y659-S662 PolarHBondContact O-N 3.47Å; Y659-T681 HydrophobicContact CD1-CG2 4.46Å
660	H	87	Confident	90.3	Very high	31 Å²	31	73.1 Å²	73.1	14%	0.144	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-63.8	-21.3	174.9	68.1	-77	0	0	0	113.9	Q624 Q626 C658 Y682	Q624-H660 PolarHBondContact O-CE1 3.08Å; Q626-H660 VanDerWaalsContact CD-CG 3.44Å; Q626-H660 HydrophobicContact CG-CB 4.35Å; Q626-H660 VanDerWaalsContact OE1-CB 3.25Å; C658-H660 PolarHBondContact O-N 2.76Å; C658-H660 VanDerWaalsContact O-N 3.14Å; H660-Y682 HydrophobicContact CB-CE2 3.73Å
661	L	89.3	Confident	90.3	Very high	18 Å²	18	71.3 Å²	71.3	9%	0.094	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-92.6	-13.3	174.1	-57.7	176.6	0	0	0	112.6	Y546 F623 C658 Y659	Y546-L661 WeakPolarHBondContact CE1-O 3.48Å; F623-L661 HydrophobicContact CB-CD1 3.74Å; F623-L661 HydrophobicContact CD1-CD1 3.62Å; F623-L661 HydrophobicContact CD1-CD2 4.27Å; F623-L661 HydrophobicContact CD2-CD1 3.47Å; F623-L661 VanDerWaalsContact CD2-CD1 3.47Å; F623-L661 HydrophobicContact CE1-CD1 4.02Å; F623-L661 HydrophobicContact CE1-CD2 4.21Å; F623-L661 HydrophobicContact CE2-CD1 3.86Å; F623-L661 HydrophobicContact CG-CD1 3.33Å; F623-L661 HydrophobicContact CZ-CD1 4.12Å; C658-L661 HydrophobicContact CB-CB 4.48Å; C658-L661 HydrophobicContact CB-CD1 3.95Å; C658-L661 HydrophobicContact CB-CG 4.27Å; C658-L661 PolarHBondContact O-N 3.35Å; Y659-L661 PolarHBondContact O-N 3.35Å
662	S	91.1	Very high	90.4	Very high	48 Å²	48	75.6 Å²	75.6	34%	0.336	39%	0.39	S	S	.	.			trans	-79	147.4	-179.2	-60.7	0	0	0	0	111.1	Y659 T681	Y659-S662 WeakPolarHBondContact O-CB 3.41Å; Y659-S662 PolarHBondContact O-N 3.47Å; S662-T681 VanDerWaalsContact C-OG1 3.27Å; S662-T681 WeakPolarHBondContact CB-OG1 3.31Å; S662-T681 PolarHBondContact O-N 3.38Å; S662-T681 PolarHBondContact O-OG1 2.91Å
663	R	92.1	Very high	90.5	Very high	114 Å²	114	74.4 Å²	74.4	43%	0.43	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.5	-178.7	63.6	-178.6	-177.6	-175.3	-0	110	Y546 V679	Y546-R663 PolarHBondContact O-NH2 3.36Å; R663-V679 CarbonylContact C-O 3.57Å; R663-V679 VanDerWaalsContact CA-O 3.27Å; R663-V679 WeakPolarHBondContact CA-O 3.46Å; R663-V679 WeakPolarHBondContact CB-O 3.27Å
664	G	92.6	Very high	90.7	Very high	22 Å²	22	76 Å²	76	23%	0.227	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	170.8	178.1	0	0	0	0	0	112.2	V679	G664-V679 PolarHBondContact N-O 3.09Å; G664-V679 WeakPolarHBondContact O-CG2 3.29Å; G664-V679 PolarHBondContact O-N 2.9Å
665	E	94.2	Very high	91.1	Very high	93 Å²	93	67.7 Å²	67.7	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.2	169.3	-56.6	-160.2	155.3	0	0	108.9	I676 F677 Q678 R768	E665-I676 HydrophobicContact CB-CG2 3.91Å; E665-I676 HydrophobicContact CG-CG2 4.37Å; E665-F677 WeakPolarHBondContact CA-O 3.02Å; E665-Q678 HydrophobicContact CG-CG 4.15Å; E665-Q678 PolarHBondContact OE1-NE2 3.03Å; E665-R768 IonicContact OE1-NH2 3.51Å; E665-R768 IonicContact OE2-CZ 3.82Å; E665-R768 IonicContact OE2-NH2 2.77Å; E665-R768 PolarHBondContact OE2-NH2 3.03Å
666	V	93.2	Very high	91.4	Very high	17 Å²	17	67.5 Å²	67.5	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.4	172	-61.2	0	0	0	0	109.7	I676 F677 V679 M684 L687 M688	V666-I676 WeakPolarHBondContact O-CA 3.03Å; V666-F677 HydrophobicContact CG2-CB 3.75Å; V666-F677 HydrophobicContact CG2-CD2 4.17Å; V666-F677 HydrophobicContact CG2-CG 4.43Å; V666-F677 PolarHBondContact N-O 3.46Å; V666-F677 PolarHBondContact O-N 3.12Å; V666-V679 HydrophobicContact CG1-CG2 4.11Å; V666-V679 HydrophobicContact CG2-CG2 4Å; V666-M684 HydrophobicContact CG1-CB 4.33Å; V666-M684 HydrophobicContact CG1-CG 3.67Å; V666-M684 HydrophobicContact CG1-SD 3.77Å; V666-L687 HydrophobicContact CG2-CD1 4Å; V666-M688 HydrophobicContact CG1-CE 3.75Å
667	V	93.4	Very high	91.7	Very high	89 Å²	89	62.8 Å²	62.8	54%	0.539	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	-177.3	-174.4	0	0	0	0	109.6	R674 Y675 I676	V667-R674 HydrophobicContact CG1-CB 4.16Å; V667-Y675 CarbonylContact C-O 3.59Å; V667-Y675 WeakPolarHBondContact CA-O 3.5Å; V667-I676 HydrophobicContact CG2-CG1 4.25Å
668	T	92.8	Very high	91.9	Very high	7 Å²	7	63 Å²	63	4%	0.043	31%	0.307	C	S	.	.			trans	-74.7	139.1	177.5	68.4	0	0	0	0	111.2	Y670 T671 Y675 F677	T668-Y670 HydrophobicContact CG2-CE1 3.74Å; T668-T671 PolarHBondContact OG1-OG1 3.49Å; T668-Y675 PolarHBondContact N-O 3.24Å; T668-Y675 PolarHBondContact OG1-N 3.24Å; T668-F677 HydrophobicContact CG2-CD2 3.99Å; T668-F677 HydrophobicContact CG2-CE1 4.37Å; T668-F677 HydrophobicContact CG2-CE2 3.37Å; T668-F677 HydrophobicContact CG2-CZ 3.6Å
669	N	91.2	Very high	92.1	Very high	130 Å²	130	61.3 Å²	61.3	70%	0.695	30%	0.295	S	S	*	.	S	Bend	trans	-118.9	-7.8	174.3	63.7	-4.7	0	0	0	113.2
670	Y	88.2	Confident	92.3	Very high	70 Å²	70	59.8 Å²	59.8	28%	0.275	29%	0.291	S	S	.	.	S	Bend	trans	-92.8	-9.4	-176.9	66.2	-92.5	0	0	0	113.9	T668 L758 Y759	T668-Y670 HydrophobicContact CG2-CE1 3.74Å; Y670-L758 HydrophobicContact CD1-CD2 3.95Å; Y670-L758 HydrophobicContact CD2-CD2 4.04Å; Y670-L758 HydrophobicContact CE1-CD1 4.23Å; Y670-L758 HydrophobicContact CE1-CD2 3.94Å; Y670-L758 HydrophobicContact CE1-CG 4.47Å; Y670-L758 HydrophobicContact CE2-CD1 4.44Å; Y670-L758 HydrophobicContact CE2-CD2 4.02Å; Y670-L758 HydrophobicContact CE2-CG 4.14Å; Y670-L758 HydrophobicContact CG-CD2 4.01Å; Y670-Y759 WeakPolarHBondContact CE2-O 3.4Å
671	T	88.5	Confident	92.6	Very high	16 Å²	16	58.8 Å²	58.8	10%	0.098	29%	0.287	C	S	.	.	S	Bend	trans	-104.5	155.2	179.9	46.4	0	0	0	0	111.7	T668 T673	T668-T671 PolarHBondContact OG1-OG1 3.49Å; T671-T673 WeakPolarHBondContact CB-O 3.39Å; T671-T673 PolarHBondContact O-N 3.47Å; T671-T673 PolarHBondContact OG1-O 3.26Å
672	K	87.6	Confident	92.8	Very high	222 Å²	222	58.7 Å²	58.7	97%	0.965	29%	0.285	S	S	*	.	S	Bend	trans	-56.3	-38	176	-66.2	-174.4	-179.3	-176.7	0	112.9
673	T	91.1	Very high	93	Very high	64 Å²	64	56.5 Å²	56.5	39%	0.393	27%	0.27	S	S	.	.	S	Bend	trans	-100.9	135.4	173.6	-55.2	0	0	0	0	108.7	T671 Y675 V767	T671-T673 WeakPolarHBondContact CB-O 3.39Å; T671-T673 PolarHBondContact O-N 3.47Å; T671-T673 PolarHBondContact OG1-O 3.26Å; T673-Y675 HydrophobicContact CG2-CE1 4.26Å; T673-Y675 HydrophobicContact CG2-CE2 4.27Å; T673-Y675 VanDerWaalsContact O-CD2 3.28Å; T673-Y675 WeakPolarHBondContact O-CD2 3.35Å; T673-Y675 PolarHBondContact O-N 2.69Å; T673-V767 HydrophobicContact CG2-CG2 4.39Å
674	R	92.9	Very high	93.1	Very high	188 Å²	188	51.7 Å²	51.7	71%	0.709	25%	0.252	S	S	*	.			trans	-77.8	102.8	172	-67	-173.7	176.5	-169.5	-2.1	109.7	V667 V767	V667-R674 HydrophobicContact CG1-CB 4.16Å; R674-V767 VanDerWaalsContact O-CG1 3.31Å; R674-V767 WeakPolarHBondContact O-CG1 3.47Å
675	Y	95.4	Very high	93.2	Very high	14 Å²	14	50.8 Å²	50.8	6%	0.055	24%	0.242	C	C	.	.			trans	-85.9	147.5	175.4	-67.1	-80	0	0	0	110	V667 T668 T673 F677 Y762 N764 R766 V767	V667-Y675 CarbonylContact C-O 3.59Å; V667-Y675 WeakPolarHBondContact CA-O 3.5Å; T668-Y675 PolarHBondContact N-O 3.24Å; T668-Y675 PolarHBondContact OG1-N 3.24Å; T673-Y675 HydrophobicContact CG2-CE1 4.26Å; T673-Y675 HydrophobicContact CG2-CE2 4.27Å; T673-Y675 VanDerWaalsContact O-CD2 3.28Å; T673-Y675 WeakPolarHBondContact O-CD2 3.35Å; T673-Y675 PolarHBondContact O-N 2.69Å; Y675-F677 HydrophobicContact CG-CE1 4.43Å; Y675-Y762 HydrophobicContact CD1-CE1 4Å; Y675-Y762 AromaticContact CD2-CD1 3.54Å; Y675-Y762 HydrophobicContact CD2-CD1 3.54Å; Y675-Y762 AromaticContact CD2-CE1 3.75Å; Y675-Y762 HydrophobicContact CD2-CE1 3.75Å; Y675-Y762 HydrophobicContact CE1-CE1 4.25Å; Y675-Y762 AromaticContact CE2-CD1 3.63Å; Y675-Y762 HydrophobicContact CE2-CD1 3.63Å; Y675-Y762 AromaticContact CE2-CE1 3.97Å; Y675-Y762 HydrophobicContact CE2-CE1 3.97Å; Y675-Y762 HydrophobicContact CG-CD1 4.06Å; Y675-Y762 AromaticContact CG-CE1 3.77Å; Y675-Y762 HydrophobicContact CG-CE1 3.77Å; Y675-N764 HydrophobicContact CD1-CB 4.39Å; Y675-N764 HydrophobicContact CE1-CB 3.86Å; Y675-N764 WeakPolarHBondContact CE1-O 3.47Å; Y675-N764 PolarHBondContact OH-N 2.91Å; Y675-N764 VanDerWaalsContact OH-N 3.08Å; Y675-N764 PolarHBondContact OH-O 3.23Å; Y675-N764 VanDerWaalsContact OH-O 3.11Å; Y675-R766 WeakPolarHBondContact CD1-O 3.3Å; Y675-R766 WeakPolarHBondContact CE1-O 3.25Å; Y675-V767 CarbonylContact C-O 3.6Å; Y675-V767 WeakPolarHBondContact CA-O 3.43Å
676	I	95.9	Very high	93.3	Very high	35 Å²	35	46.3 Å²	46.3	18%	0.179	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	174.1	-54.6	177.4	0	0	0	107.2	E665 V666 V667 V767 R768 V769	E665-I676 HydrophobicContact CB-CG2 3.91Å; E665-I676 HydrophobicContact CG-CG2 4.37Å; V666-I676 WeakPolarHBondContact O-CA 3.03Å; V667-I676 HydrophobicContact CG2-CG1 4.25Å; I676-V767 PolarHBondContact N-O 2.76Å; I676-R768 HydrophobicContact CB-CG 4.11Å; I676-R768 HydrophobicContact CD1-CG 4.12Å; I676-R768 HydrophobicContact CG1-CG 4.5Å; I676-R768 CarbonylContact O-C 3.47Å; I676-R768 WeakPolarHBondContact O-CA 3.21Å; I676-V769 PolarHBondContact O-N 3.36Å
677	F	96.6	Very high	93.4	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.3	176.7	-57.8	-29.2	0	0	0	110.1	E665 V666 T668 Y675 V679 L687 V724 Y762 V769 L771	E665-F677 WeakPolarHBondContact CA-O 3.02Å; V666-F677 HydrophobicContact CG2-CB 3.75Å; V666-F677 HydrophobicContact CG2-CD2 4.17Å; V666-F677 HydrophobicContact CG2-CG 4.43Å; V666-F677 PolarHBondContact N-O 3.46Å; V666-F677 PolarHBondContact O-N 3.12Å; T668-F677 HydrophobicContact CG2-CD2 3.99Å; T668-F677 HydrophobicContact CG2-CE1 4.37Å; T668-F677 HydrophobicContact CG2-CE2 3.37Å; T668-F677 HydrophobicContact CG2-CZ 3.6Å; Y675-F677 HydrophobicContact CG-CE1 4.43Å; F677-V679 HydrophobicContact CB-CG1 3.87Å; F677-L687 HydrophobicContact CD2-CD1 4.24Å; F677-V724 HydrophobicContact CE2-CG1 4.02Å; F677-V724 HydrophobicContact CE2-CG2 4.14Å; F677-V724 HydrophobicContact CZ-CG2 4.07Å; F677-Y762 HydrophobicContact CE1-CD1 4.44Å; F677-Y762 AromaticContact CE1-CE1 3.65Å; F677-Y762 HydrophobicContact CE1-CE1 3.65Å; F677-Y762 AromaticContact CE1-CZ 3.79Å; F677-Y762 HydrophobicContact CZ-CD1 4.08Å; F677-Y762 AromaticContact CZ-CE1 3.7Å; F677-Y762 HydrophobicContact CZ-CE1 3.7Å; F677-Y762 HydrophobicContact CZ-CE2 4.47Å; F677-Y762 AromaticContact CZ-CZ 3.91Å; F677-V769 WeakPolarHBondContact CA-O 3.39Å; F677-V769 HydrophobicContact CD1-CB 3.97Å; F677-V769 HydrophobicContact CD1-CG2 4.39Å; F677-V769 HydrophobicContact CE1-CB 4.31Å; F677-V769 HydrophobicContact CE1-CG2 4.33Å; F677-L771 HydrophobicContact CB-CD1 3.94Å; F677-L771 HydrophobicContact CD1-CD1 4.17Å; F677-L771 HydrophobicContact CD2-CD1 4.18Å; F677-L771 HydrophobicContact CG-CD1 3.86Å
678	Q	95.3	Very high	93.4	Very high	63 Å²	63	44.2 Å²	44.2	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	108	171.1	-59	-175.4	-52.4	0	0	108.2	E665 V769 Y770 L771 N772	E665-Q678 HydrophobicContact CG-CG 4.15Å; E665-Q678 PolarHBondContact OE1-NE2 3.03Å; Q678-V769 PolarHBondContact N-O 2.95Å; Q678-Y770 HydrophobicContact CB-CD2 3.95Å; Q678-L771 PolarHBondContact O-N 3.06Å; Q678-N772 PolarHBondContact O-N 3.47Å
679	V	95.6	Very high	93.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.5	-165.2	-73.3	0	0	0	0	111	R663 G664 V666 F677 Q683 M684 L687 L771	R663-V679 CarbonylContact C-O 3.57Å; R663-V679 VanDerWaalsContact CA-O 3.27Å; R663-V679 WeakPolarHBondContact CA-O 3.46Å; R663-V679 WeakPolarHBondContact CB-O 3.27Å; G664-V679 PolarHBondContact N-O 3.09Å; G664-V679 WeakPolarHBondContact O-CG2 3.29Å; G664-V679 PolarHBondContact O-N 2.9Å; V666-V679 HydrophobicContact CG1-CG2 4.11Å; V666-V679 HydrophobicContact CG2-CG2 4Å; F677-V679 HydrophobicContact CB-CG1 3.87Å; V679-Q683 VanDerWaalsContact CA-OE1 3.32Å; V679-Q683 HydrophobicContact CB-CB 3.77Å; V679-Q683 HydrophobicContact CG1-CB 4.08Å; V679-M684 HydrophobicContact CG2-CB 3.78Å; V679-L687 HydrophobicContact CG1-CD1 4.04Å; V679-L771 HydrophobicContact CG1-CB 4.01Å; V679-L771 HydrophobicContact CG1-CD1 4.12Å
680	S	93.8	Very high	93.6	Very high	11 Å²	11	39.3 Å²	39.3	8%	0.077	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	160	163.5	69.9	0	0	0	0	110.1	Y682 Q683 M684	S680-Y682 PolarHBondContact O-N 3.38Å; S680-Q683 PolarHBondContact O-N 2.89Å; S680-Q683 WeakPolarHBondContact OG-CG 3.49Å; S680-Q683 PolarHBondContact OG-N 2.86Å; S680-Q683 VanDerWaalsContact OG-N 3.12Å; S680-M684 WeakPolarHBondContact O-CB 3.45Å; S680-M684 PolarHBondContact O-N 2.63Å
681	T	93.2	Very high	93.8	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-31.1	174.9	-63.8	0	0	0	0	112.2	F629 Y659 S662 M684 S685	F629-T681 HydrophobicContact CE1-CG2 3.98Å; F629-T681 HydrophobicContact CZ-CG2 3.84Å; Y659-T681 HydrophobicContact CD1-CG2 4.46Å; S662-T681 VanDerWaalsContact C-OG1 3.27Å; S662-T681 WeakPolarHBondContact CB-OG1 3.31Å; S662-T681 PolarHBondContact O-N 3.38Å; S662-T681 PolarHBondContact O-OG1 2.91Å; T681-M684 HydrophobicContact CG2-CE 4.17Å; T681-S685 WeakPolarHBondContact O-CB 3.43Å; T681-S685 PolarHBondContact O-N 3.17Å; T681-S685 PolarHBondContact O-OG 3.27Å
682	Y	94.1	Very high	94	Very high	16 Å²	16	45.1 Å²	45.1	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-47.7	173.2	-65.2	-19.7	0	0	0	112.7	F629 H660 S680 M684 S685 V686 I707 T711 I715	F629-Y682 HydrophobicContact CB-CE1 4.19Å; F629-Y682 HydrophobicContact CD1-CE1 4.32Å; F629-Y682 AromaticContact CD2-CD1 3.59Å; F629-Y682 HydrophobicContact CD2-CD1 3.59Å; F629-Y682 AromaticContact CD2-CE1 3.45Å; F629-Y682 HydrophobicContact CD2-CE1 3.45Å; F629-Y682 VanDerWaalsContact CD2-CE1 3.45Å; F629-Y682 AromaticContact CE2-CD1 3.5Å; F629-Y682 HydrophobicContact CE2-CD1 3.5Å; F629-Y682 AromaticContact CE2-CE1 3.84Å; F629-Y682 HydrophobicContact CE2-CE1 3.84Å; F629-Y682 HydrophobicContact CG-CD1 4.25Å; F629-Y682 AromaticContact CG-CE1 3.71Å; F629-Y682 HydrophobicContact CG-CE1 3.71Å; F629-Y682 HydrophobicContact CZ-CD1 4.09Å; F629-Y682 HydrophobicContact CZ-CE1 4.39Å; H660-Y682 HydrophobicContact CB-CE2 3.73Å; S680-Y682 PolarHBondContact O-N 3.38Å; Y682-M684 VanDerWaalsContact C-N 3.33Å; Y682-M684 PolarHBondContact O-N 3.28Å; Y682-S685 WeakPolarHBondContact O-CB 3.47Å; Y682-S685 PolarHBondContact O-N 3.35Å; Y682-V686 PolarHBondContact O-N 3.36Å; Y682-V686 VanDerWaalsContact O-N 3.1Å; Y682-I707 HydrophobicContact CD1-CD1 4.32Å; Y682-I707 HydrophobicContact CD1-CG1 4.13Å; Y682-I707 HydrophobicContact CG-CD1 4.14Å; Y682-I707 HydrophobicContact CG-CG1 4.23Å; Y682-T711 HydrophobicContact CD2-CG2 4.13Å; Y682-T711 HydrophobicContact CE2-CG2 4.34Å; Y682-I715 HydrophobicContact CD2-CD1 4.2Å; Y682-I715 HydrophobicContact CG-CD1 4.32Å
683	Q	95.1	Very high	94.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-43.9	174.6	-76.4	168.8	-14.1	0	0	111.6	V679 S680 S685 V686 L687 I715 L771	V679-Q683 VanDerWaalsContact CA-OE1 3.32Å; V679-Q683 HydrophobicContact CB-CB 3.77Å; V679-Q683 HydrophobicContact CG1-CB 4.08Å; S680-Q683 PolarHBondContact O-N 2.89Å; S680-Q683 WeakPolarHBondContact OG-CG 3.49Å; S680-Q683 PolarHBondContact OG-N 2.86Å; S680-Q683 VanDerWaalsContact OG-N 3.12Å; Q683-S685 VanDerWaalsContact C-N 3.29Å; Q683-S685 PolarHBondContact O-N 2.74Å; Q683-V686 PolarHBondContact O-N 3.49Å; Q683-L687 WeakPolarHBondContact O-CG 3.16Å; Q683-L687 PolarHBondContact O-N 3.49Å; Q683-I715 HydrophobicContact CG-CG1 4.34Å; Q683-I715 HydrophobicContact CG-CG2 3.76Å; Q683-L771 PolarHBondContact NE2-O 3.33Å; Q683-L771 PolarHBondContact OE1-O 2.89Å
684	M	94.7	Very high	94.3	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.064	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-44	175	176.4	163.4	48.8	0	0	111.4	L635 V666 V679 S680 T681 Y682 V686 L687 M688	L635-M684 HydrophobicContact CD1-CE 3.52Å; L635-M684 HydrophobicContact CD1-SD 4.07Å; V666-M684 HydrophobicContact CG1-CB 4.33Å; V666-M684 HydrophobicContact CG1-CG 3.67Å; V666-M684 HydrophobicContact CG1-SD 3.77Å; V679-M684 HydrophobicContact CG2-CB 3.78Å; S680-M684 WeakPolarHBondContact O-CB 3.45Å; S680-M684 PolarHBondContact O-N 2.63Å; T681-M684 HydrophobicContact CG2-CE 4.17Å; Y682-M684 VanDerWaalsContact C-N 3.33Å; Y682-M684 PolarHBondContact O-N 3.28Å; M684-V686 PolarHBondContact O-N 3.45Å; M684-L687 PolarHBondContact O-N 2.99Å; M684-M688 HydrophobicContact CG-CE 4.2Å; M684-M688 HydrophobicContact CG-CG 4.35Å; M684-M688 VanDerWaalsContact O-CG 3.31Å; M684-M688 WeakPolarHBondContact O-CG 3.29Å; M684-M688 PolarHBondContact O-N 2.64Å
685	S	94.8	Very high	94.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-42.4	179.9	-54.7	0	0	0	0	112.4	F629 P632 T681 Y682 Q683 L687 M688 L689	F629-S685 WeakPolarHBondContact CE2-OG 3.47Å; F629-S685 WeakPolarHBondContact CZ-OG 3.49Å; P632-S685 WeakPolarHBondContact CD-OG 3.3Å; P632-S685 WeakPolarHBondContact CG-OG 3.49Å; T681-S685 WeakPolarHBondContact O-CB 3.43Å; T681-S685 PolarHBondContact O-N 3.17Å; T681-S685 PolarHBondContact O-OG 3.27Å; Y682-S685 WeakPolarHBondContact O-CB 3.47Å; Y682-S685 PolarHBondContact O-N 3.35Å; Q683-S685 VanDerWaalsContact C-N 3.29Å; Q683-S685 PolarHBondContact O-N 2.74Å; S685-L687 VanDerWaalsContact C-N 3.35Å; S685-M688 PolarHBondContact O-N 2.66Å; S685-L689 PolarHBondContact O-N 3.43Å
686	V	95.8	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.8	174.6	0	0	0	0	110.7	Y682 Q683 M684 M688 L689 Y690 I701 T705 I707 L712 I715 L716 L719	Y682-V686 PolarHBondContact O-N 3.36Å; Y682-V686 VanDerWaalsContact O-N 3.1Å; Q683-V686 PolarHBondContact O-N 3.49Å; M684-V686 PolarHBondContact O-N 3.45Å; V686-M688 PolarHBondContact O-N 3.37Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 3.5Å; V686-Y690 HydrophobicContact CG1-CE2 4.38Å; V686-Y690 WeakPolarHBondContact O-CD2 3.37Å; V686-I701 HydrophobicContact CB-CG2 4.42Å; V686-I701 HydrophobicContact CG1-CG2 4.06Å; V686-I701 HydrophobicContact CG2-CG2 3.81Å; V686-T705 HydrophobicContact CG2-CG2 4.24Å; V686-I707 HydrophobicContact CG2-CD1 4.11Å; V686-L712 HydrophobicContact CG2-CD1 3.94Å; V686-I715 HydrophobicContact CG2-CG2 4.27Å; V686-L716 HydrophobicContact CG1-CD2 3.93Å; V686-L719 HydrophobicContact CB-CD1 4.42Å; V686-L719 HydrophobicContact CG1-CD1 3.94Å
687	L	95.3	Very high	94.3	Very high	20 Å²	20	31.8 Å²	31.8	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-36.1	-179.3	-68.1	173.9	0	0	0	112.7	V666 F677 V679 Q683 M684 S685 L689 Y690 L719 V724	V666-L687 HydrophobicContact CG2-CD1 4Å; F677-L687 HydrophobicContact CD2-CD1 4.24Å; V679-L687 HydrophobicContact CG1-CD1 4.04Å; Q683-L687 WeakPolarHBondContact O-CG 3.16Å; Q683-L687 PolarHBondContact O-N 3.49Å; M684-L687 PolarHBondContact O-N 2.99Å; S685-L687 VanDerWaalsContact C-N 3.35Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 3.02Å; L687-Y690 WeakPolarHBondContact O-CB 3.47Å; L687-Y690 PolarHBondContact O-N 3.26Å; L687-L719 HydrophobicContact CD1-CD2 4.5Å; L687-L719 HydrophobicContact CD2-CD1 4.18Å; L687-L719 HydrophobicContact CD2-CD2 4.28Å; L687-L719 HydrophobicContact CG-CD1 4.46Å; L687-V724 HydrophobicContact CD2-CG1 3.61Å
688	M	93	Very high	94.3	Very high	42 Å²	42	31.8 Å²	31.8	21%	0.207	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-28.6	179.4	-70.5	-58.2	178.7	0	0	113	V666 M684 S685 V686 Y690 N691	V666-M688 HydrophobicContact CG1-CE 3.75Å; M684-M688 HydrophobicContact CG-CE 4.2Å; M684-M688 HydrophobicContact CG-CG 4.35Å; M684-M688 VanDerWaalsContact O-CG 3.31Å; M684-M688 WeakPolarHBondContact O-CG 3.29Å; M684-M688 PolarHBondContact O-N 2.64Å; S685-M688 PolarHBondContact O-N 2.66Å; V686-M688 PolarHBondContact O-N 3.37Å; M688-Y690 PolarHBondContact O-N 3.22Å; M688-Y690 VanDerWaalsContact O-N 3.15Å; M688-N691 VanDerWaalsContact O-CB 3.32Å; M688-N691 WeakPolarHBondContact O-CB 3.34Å; M688-N691 PolarHBondContact O-N 2.77Å; M688-N691 PolarHBondContact O-ND2 2.97Å; M688-N691 PolarHBondContact SD-ND2 2.91Å; M688-N691 VanDerWaalsContact SD-ND2 3.4Å
689	L	95.1	Very high	94.2	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.131	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-33.6	174.2	-62	-174.2	0	0	0	112.2	S685 V686 L687 N691 S692 S693 Y696 I701 Q704 T705	S685-L689 PolarHBondContact O-N 3.43Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 3.5Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 3.02Å; L689-N691 PolarHBondContact O-N 2.93Å; L689-S692 PolarHBondContact O-N 3.27Å; L689-S693 PolarHBondContact O-N 2.89Å; L689-Y696 HydrophobicContact CB-CD2 4.31Å; L689-Y696 HydrophobicContact CB-CE2 3.76Å; L689-Y696 WeakPolarHBondContact O-CE2 3.35Å; L689-Y696 PolarHBondContact O-OH 2.98Å; L689-I701 HydrophobicContact CD1-CB 4.3Å; L689-I701 HydrophobicContact CD1-CG1 4.19Å; L689-I701 HydrophobicContact CD1-CG2 4.08Å; L689-Q704 HydrophobicContact CD1-CB 4.22Å; L689-Q704 HydrophobicContact CD2-CB 4.11Å; L689-T705 HydrophobicContact CD1-CG2 4.01Å
690	Y	94.6	Very high	94.2	Very high	8 Å²	8	32.5 Å²	32.5	3%	0.031	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.8	-178.3	-70.3	-84.5	0	0	0	114.3	V686 L687 M688 S692 S693 L694 Y696 L725 L756 L758	V686-Y690 HydrophobicContact CG1-CE2 4.38Å; V686-Y690 WeakPolarHBondContact O-CD2 3.37Å; L687-Y690 WeakPolarHBondContact O-CB 3.47Å; L687-Y690 PolarHBondContact O-N 3.26Å; M688-Y690 PolarHBondContact O-N 3.22Å; M688-Y690 VanDerWaalsContact O-N 3.15Å; Y690-S692 VanDerWaalsContact C-N 3.25Å; Y690-S693 VanDerWaalsContact CA-O 3.27Å; Y690-S693 WeakPolarHBondContact CA-O 3.45Å; Y690-S693 WeakPolarHBondContact CD1-O 3.28Å; Y690-L694 WeakPolarHBondContact CD1-O 3.28Å; Y690-L694 WeakPolarHBondContact CE1-O 3.43Å; Y690-Y696 HydrophobicContact CD1-CD2 4.18Å; Y690-Y696 HydrophobicContact CD1-CE2 4.44Å; Y690-Y696 AromaticContact CE1-CD2 3.97Å; Y690-Y696 HydrophobicContact CE1-CD2 3.97Å; Y690-L725 HydrophobicContact CD2-CD2 4.16Å; Y690-L725 HydrophobicContact CE1-CD2 4.09Å; Y690-L725 HydrophobicContact CE2-CD1 4.25Å; Y690-L725 HydrophobicContact CE2-CD2 3.52Å; Y690-L725 VanDerWaalsContact CZ-CD2 3.47Å; Y690-L756 WeakPolarHBondContact CE1-O 3.36Å; Y690-L756 WeakPolarHBondContact OH-CB 3.38Å; Y690-L756 PolarHBondContact OH-O 3.41Å; Y690-L758 HydrophobicContact CD1-CB 3.75Å; Y690-L758 HydrophobicContact CE1-CB 4.28Å; Y690-L758 HydrophobicContact CG-CB 4.25Å; Y690-L758 HydrophobicContact CG-CD1 4.44Å
691	N	92.3	Very high	94.3	Very high	100 Å²	100	32 Å²	32	54%	0.535	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.3	168.4	-65.7	-29.4	0	0	0	112.3	M688 L689	M688-N691 VanDerWaalsContact O-CB 3.32Å; M688-N691 WeakPolarHBondContact O-CB 3.34Å; M688-N691 PolarHBondContact O-N 2.77Å; M688-N691 PolarHBondContact O-ND2 2.97Å; M688-N691 PolarHBondContact SD-ND2 2.91Å; M688-N691 VanDerWaalsContact SD-ND2 3.4Å; L689-N691 PolarHBondContact O-N 2.93Å
692	S	92.8	Very high	94.4	Very high	108 Å²	108	34.4 Å²	34.4	76%	0.755	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-32.6	-179.1	-62.5	0	0	0	0	113.7	L689 Y690	L689-S692 PolarHBondContact O-N 3.27Å; Y690-S692 VanDerWaalsContact C-N 3.25Å
693	S	92.5	Very high	94.5	Very high	50 Å²	50	40.6 Å²	40.6	35%	0.35	23%	0.234	S	C	.	.			trans	-150.2	141	177.1	173	0	0	0	0	109.9	L689 Y690 V695 Y696	L689-S693 PolarHBondContact O-N 2.89Å; Y690-S693 VanDerWaalsContact CA-O 3.27Å; Y690-S693 WeakPolarHBondContact CA-O 3.45Å; Y690-S693 WeakPolarHBondContact CD1-O 3.28Å; S693-V695 VanDerWaalsContact C-N 3.25Å; S693-V695 PolarHBondContact O-N 3.39Å; S693-V695 PolarHBondContact OG-N 3Å; S693-V695 PolarHBondContact OG-O 3.23Å; S693-Y696 PolarHBondContact N-OH 3.47Å; S693-Y696 WeakPolarHBondContact O-CE2 3.49Å
694	L	91.8	Very high	94.4	Very high	90 Å²	90	45 Å²	45	47%	0.471	25%	0.254	S	S	.	.	S	Bend	trans	-77.8	-9.9	179.2	-64	-179.3	0	0	0	113.7	Y690 A757 L758	Y690-L694 WeakPolarHBondContact CD1-O 3.28Å; Y690-L694 WeakPolarHBondContact CE1-O 3.43Å; L694-A757 CarbonylContact O-C 3.56Å; L694-A757 WeakPolarHBondContact O-CA 3.48Å; L694-L758 HydrophobicContact CD2-CB 4.33Å; L694-L758 HydrophobicContact CD2-CD2 4.01Å; L694-L758 PolarHBondContact O-N 2.71Å
695	V	93.9	Very high	94.4	Very high	43 Å²	43	44.5 Å²	44.5	26%	0.261	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.5	-176.1	-172.3	0	0	0	0	110.5	S693 H755 L756 A757	S693-V695 VanDerWaalsContact C-N 3.25Å; S693-V695 PolarHBondContact O-N 3.39Å; S693-V695 PolarHBondContact OG-N 3Å; S693-V695 PolarHBondContact OG-O 3.23Å; V695-H755 HydrophobicContact CG1-CB 4.17Å; V695-L756 WeakPolarHBondContact CA-O 3.33Å; V695-A757 HydrophobicContact CG2-CB 3.91Å
696	Y	95.7	Very high	94.3	Very high	26 Å²	26	45.6 Å²	45.6	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.5	172.7	-71.1	-83.8	0	0	0	111.2	L689 Y690 S693 A700 I701 L756	L689-Y696 HydrophobicContact CB-CD2 4.31Å; L689-Y696 HydrophobicContact CB-CE2 3.76Å; L689-Y696 WeakPolarHBondContact O-CE2 3.35Å; L689-Y696 PolarHBondContact O-OH 2.98Å; Y690-Y696 HydrophobicContact CD1-CD2 4.18Å; Y690-Y696 HydrophobicContact CD1-CE2 4.44Å; Y690-Y696 AromaticContact CE1-CD2 3.97Å; Y690-Y696 HydrophobicContact CE1-CD2 3.97Å; S693-Y696 PolarHBondContact N-OH 3.47Å; S693-Y696 WeakPolarHBondContact O-CE2 3.49Å; Y696-A700 HydrophobicContact CD1-CB 4.23Å; Y696-I701 HydrophobicContact CG-CG1 4.34Å; Y696-L756 PolarHBondContact N-O 2.89Å; Y696-L756 PolarHBondContact O-N 3.33Å
697	T	95	Very high	94.2	Very high	34 Å²	34	45.8 Å²	45.8	21%	0.209	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	156.3	164.7	58.4	0	0	0	0	110.4	S699 A700 I701 T754 H755	T697-S699 VanDerWaalsContact C-N 3.25Å; T697-S699 PolarHBondContact O-N 3.27Å; T697-A700 PolarHBondContact O-N 3.2Å; T697-A700 VanDerWaalsContact O-N 3.12Å; T697-A700 WeakPolarHBondContact OG1-CB 3.4Å; T697-A700 PolarHBondContact OG1-N 3.4Å; T697-I701 WeakPolarHBondContact O-CG1 3.37Å; T697-I701 PolarHBondContact O-N 3.35Å; T697-T754 WeakPolarHBondContact CA-O 3.39Å; T697-H755 WeakPolarHBondContact CG2-CE1 3.46Å; T697-H755 WeakPolarHBondContact CG2-ND1 3.35Å
698	V	95.2	Very high	94	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-55.3	-43.1	174.8	176.7	0	0	0	0	111.2	A700 I701 Q702 L712 L713 L716 S751 P752 T754 L756	V698-A700 PolarHBondContact O-N 2.87Å; V698-I701 PolarHBondContact O-N 2.96Å; V698-Q702 PolarHBondContact O-N 3.22Å; V698-L712 HydrophobicContact CG1-CD2 4.39Å; V698-L713 HydrophobicContact CG1-CD2 4.08Å; V698-L716 HydrophobicContact CB-CD1 4.44Å; V698-L716 HydrophobicContact CG1-CD1 3.94Å; V698-L716 HydrophobicContact CG2-CD1 4Å; V698-S751 WeakPolarHBondContact CB-O 3.24Å; V698-S751 WeakPolarHBondContact CG2-O 3.03Å; V698-P752 PolarHBondContact N-O 2.98Å; V698-T754 PolarHBondContact N-O 3.12Å; V698-T754 VanDerWaalsContact N-O 3.15Å; V698-L756 HydrophobicContact CG2-CD1 4.02Å; V698-L756 HydrophobicContact CG2-CG 4.42Å
699	S	95	Very high	93.8	Very high	54 Å²	54	54 Å²	54	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-41.7	176.3	179.6	0	0	0	0	112.7	T697 Q702 L703 P752	T697-S699 VanDerWaalsContact C-N 3.25Å; T697-S699 PolarHBondContact O-N 3.27Å; S699-Q702 PolarHBondContact O-N 3.04Å; S699-L703 WeakPolarHBondContact O-CB 3Å; S699-L703 PolarHBondContact O-N 3.39Å; S699-P752 WeakPolarHBondContact CB-O 3.16Å; S699-P752 PolarHBondContact N-O 3.48Å
700	A	95.2	Very high	93.5	Very high	25 Å²	25	55.3 Å²	55.3	21%	0.207	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-40.4	176.9	0	0	0	0	0	112.1	Y696 T697 V698 L703 Q704	Y696-A700 HydrophobicContact CD1-CB 4.23Å; T697-A700 PolarHBondContact O-N 3.2Å; T697-A700 VanDerWaalsContact O-N 3.12Å; T697-A700 WeakPolarHBondContact OG1-CB 3.4Å; T697-A700 PolarHBondContact OG1-N 3.4Å; V698-A700 PolarHBondContact O-N 2.87Å; A700-L703 PolarHBondContact O-N 3.46Å; A700-Q704 WeakPolarHBondContact O-CB 3.21Å; A700-Q704 WeakPolarHBondContact O-CG 3.44Å; A700-Q704 PolarHBondContact O-N 2.82Å
701	I	96.1	Very high	93.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.1	-61.8	170.5	0	0	0	110.1	V686 L689 Y696 T697 V698 Q704 T705 L712 L716 L756	V686-I701 HydrophobicContact CB-CG2 4.42Å; V686-I701 HydrophobicContact CG1-CG2 4.06Å; V686-I701 HydrophobicContact CG2-CG2 3.81Å; L689-I701 HydrophobicContact CD1-CB 4.3Å; L689-I701 HydrophobicContact CD1-CG1 4.19Å; L689-I701 HydrophobicContact CD1-CG2 4.08Å; Y696-I701 HydrophobicContact CG-CG1 4.34Å; T697-I701 WeakPolarHBondContact O-CG1 3.37Å; T697-I701 PolarHBondContact O-N 3.35Å; V698-I701 PolarHBondContact O-N 2.96Å; I701-Q704 PolarHBondContact O-N 3.37Å; I701-T705 HydrophobicContact CG2-CG2 4.19Å; I701-T705 WeakPolarHBondContact O-CB 3.36Å; I701-T705 WeakPolarHBondContact O-CG2 3.36Å; I701-T705 PolarHBondContact O-N 3.45Å; I701-T705 PolarHBondContact O-OG1 3.27Å; I701-L712 HydrophobicContact CG2-CD1 3.74Å; I701-L712 HydrophobicContact CG2-CD2 4.28Å; I701-L716 HydrophobicContact CD1-CD2 4.04Å; I701-L756 HydrophobicContact CD1-CD1 4.21Å
702	Q	95.1	Very high	93.3	Very high	60 Å²	60	50.8 Å²	50.8	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-48.9	177.1	-169.4	-175.7	3.4	0	0	111.7	V698 S699 Q704 G706 I707 L712	V698-Q702 PolarHBondContact O-N 3.22Å; S699-Q702 PolarHBondContact O-N 3.04Å; Q702-Q704 VanDerWaalsContact C-N 3.34Å; Q702-Q704 PolarHBondContact O-N 3.02Å; Q702-G706 WeakPolarHBondContact O-CA 3.19Å; Q702-G706 PolarHBondContact O-N 3.14Å; Q702-I707 WeakPolarHBondContact CG-O 3.47Å; Q702-L712 HydrophobicContact CB-CD2 3.53Å; Q702-L712 HydrophobicContact CG-CD2 4.08Å
703	L	94.6	Very high	93.3	Very high	146 Å²	146	47.7 Å²	47.7	76%	0.764	27%	0.268	S	S	*	.	H	α-helix	trans	-61.6	-41.5	-178.6	-176.4	65.6	0	0	0	112.1	S699 A700	S699-L703 WeakPolarHBondContact O-CB 3Å; S699-L703 PolarHBondContact O-N 3.39Å; A700-L703 PolarHBondContact O-N 3.46Å
704	Q	94.6	Very high	93.3	Very high	93 Å²	93	46.7 Å²	46.7	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-79	-35.2	-176.8	-68.5	-175	39	0	0	113.3	S630 L689 A700 I701 Q702	S630-Q704 WeakPolarHBondContact CB-O 3.39Å; L689-Q704 HydrophobicContact CD1-CB 4.22Å; L689-Q704 HydrophobicContact CD2-CB 4.11Å; A700-Q704 WeakPolarHBondContact O-CB 3.21Å; A700-Q704 WeakPolarHBondContact O-CG 3.44Å; A700-Q704 PolarHBondContact O-N 2.82Å; I701-Q704 PolarHBondContact O-N 3.37Å; Q702-Q704 VanDerWaalsContact C-N 3.34Å; Q702-Q704 PolarHBondContact O-N 3.02Å
705	T	94.5	Very high	93.3	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-87.7	-23.6	-179.6	61	0	0	0	0	113.4	F629 S630 V686 L689 I701 I707	F629-T705 WeakPolarHBondContact CD2-O 3.44Å; S630-T705 PolarHBondContact N-O 2.94Å; V686-T705 HydrophobicContact CG2-CG2 4.24Å; L689-T705 HydrophobicContact CD1-CG2 4.01Å; I701-T705 HydrophobicContact CG2-CG2 4.19Å; I701-T705 WeakPolarHBondContact O-CB 3.36Å; I701-T705 WeakPolarHBondContact O-CG2 3.36Å; I701-T705 PolarHBondContact O-N 3.45Å; I701-T705 PolarHBondContact O-OG1 3.27Å; T705-I707 HydrophobicContact CG2-CD1 4.2Å; T705-I707 PolarHBondContact O-N 2.79Å; T705-I707 WeakPolarHBondContact OG1-CD1 3.4Å; T705-I707 WeakPolarHBondContact OG1-CG1 3.44Å; T705-I707 PolarHBondContact OG1-N 2.96Å
706	G	93.3	Very high	93.4	Very high	26 Å²	26	40.5 Å²	40.5	27%	0.268	22%	0.223	S	C	.	.			trans	70.8	4.6	-173.2	0	0	0	0	0	114.4	Q702	Q702-G706 WeakPolarHBondContact O-CA 3.19Å; Q702-G706 PolarHBondContact O-N 3.14Å
707	I	92.9	Very high	93.3	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.234	C	C	.	.			trans	-66.4	137.1	-177.7	-60.6	163.6	0	0	0	109.9	F629 Y682 V686 Q702 T705 E709 T711 L712 I715	F629-I707 HydrophobicContact CD2-CG1 4.11Å; F629-I707 HydrophobicContact CE2-CG1 4.37Å; Y682-I707 HydrophobicContact CD1-CD1 4.32Å; Y682-I707 HydrophobicContact CD1-CG1 4.13Å; Y682-I707 HydrophobicContact CG-CD1 4.14Å; Y682-I707 HydrophobicContact CG-CG1 4.23Å; V686-I707 HydrophobicContact CG2-CD1 4.11Å; Q702-I707 WeakPolarHBondContact CG-O 3.47Å; T705-I707 HydrophobicContact CG2-CD1 4.2Å; T705-I707 PolarHBondContact O-N 2.79Å; T705-I707 WeakPolarHBondContact OG1-CD1 3.4Å; T705-I707 WeakPolarHBondContact OG1-CG1 3.44Å; T705-I707 PolarHBondContact OG1-N 2.96Å; I707-E709 PolarHBondContact O-N 3.31Å; I707-T711 HydrophobicContact CG2-CG2 3.94Å; I707-L712 HydrophobicContact CB-CB 4.32Å; I707-L712 HydrophobicContact CD1-CD1 4.43Å; I707-L712 HydrophobicContact CG2-CB 3.91Å; I707-I715 HydrophobicContact CD1-CD1 4.49Å; I707-I715 HydrophobicContact CG2-CD1 4.43Å
708	E	90.9	Very high	93.3	Very high	138 Å²	138	42.5 Å²	42.5	65%	0.645	23%	0.232	S	C	*	.			trans	-57.9	136.1	174.4	-174.7	-178.8	177.7	0	0	111.4	A710 T711 L712	E708-A710 VanDerWaalsContact C-N 3.35Å; E708-A710 PolarHBondContact O-N 3.48Å; E708-T711 WeakPolarHBondContact O-CB 3.4Å; E708-T711 PolarHBondContact O-N 3.07Å; E708-L712 PolarHBondContact O-N 3.18Å
709	E	89.5	Confident	93.3	Very high	95 Å²	95	42.3 Å²	42.3	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-50.9	-48.8	-172.2	-168.6	178.1	169.6	0	0	113.1	I707 T711 L712 L713	I707-E709 PolarHBondContact O-N 3.31Å; E709-T711 VanDerWaalsContact C-N 3.27Å; E709-T711 PolarHBondContact O-N 2.96Å; E709-L712 PolarHBondContact O-N 3.07Å; E709-L713 HydrophobicContact CG-CD1 4.18Å; E709-L713 HydrophobicContact CG-CG 4.4Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.36Å; E709-L713 PolarHBondContact O-N 2.89Å
710	A	87.8	Confident	93.3	Very high	53 Å²	53	40.5 Å²	40.5	44%	0.438	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-34.7	-179.1	0	0	0	0	0	113.3	E708 Q714	E708-A710 VanDerWaalsContact C-N 3.35Å; E708-A710 PolarHBondContact O-N 3.48Å; A710-Q714 PolarHBondContact O-NE2 2.97Å
711	T	89.2	Confident	93.2	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	24%	0.239	C	C	.	.	H	α-helix	trans	-76.6	-43.4	176.8	-60.2	0	0	0	0	110.3	Y682 I707 E708 E709 L713 Q714 I715 L775	Y682-T711 HydrophobicContact CD2-CG2 4.13Å; Y682-T711 HydrophobicContact CE2-CG2 4.34Å; I707-T711 HydrophobicContact CG2-CG2 3.94Å; E708-T711 WeakPolarHBondContact O-CB 3.4Å; E708-T711 PolarHBondContact O-N 3.07Å; E709-T711 VanDerWaalsContact C-N 3.27Å; E709-T711 PolarHBondContact O-N 2.96Å; T711-L713 PolarHBondContact O-N 3.29Å; T711-Q714 PolarHBondContact O-N 3.43Å; T711-I715 HydrophobicContact CG2-CD1 3.93Å; T711-I715 WeakPolarHBondContact O-CG1 3.49Å; T711-I715 PolarHBondContact O-N 2.88Å; T711-L775 HydrophobicContact CG2-CD1 3.74Å
712	L	92.9	Very high	93	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-46.8	178.6	178.4	61.9	0	0	0	111.6	V686 V698 I701 Q702 I707 E708 E709 Q714 I715 L716	V686-L712 HydrophobicContact CG2-CD1 3.94Å; V698-L712 HydrophobicContact CG1-CD2 4.39Å; I701-L712 HydrophobicContact CG2-CD1 3.74Å; I701-L712 HydrophobicContact CG2-CD2 4.28Å; Q702-L712 HydrophobicContact CB-CD2 3.53Å; Q702-L712 HydrophobicContact CG-CD2 4.08Å; I707-L712 HydrophobicContact CB-CB 4.32Å; I707-L712 HydrophobicContact CD1-CD1 4.43Å; I707-L712 HydrophobicContact CG2-CB 3.91Å; E708-L712 PolarHBondContact O-N 3.18Å; E709-L712 PolarHBondContact O-N 3.07Å; L712-Q714 VanDerWaalsContact C-N 3.3Å; L712-Q714 PolarHBondContact O-N 3.39Å; L712-I715 WeakPolarHBondContact O-CB 3.32Å; L712-I715 PolarHBondContact O-N 3.49Å; L712-I715 VanDerWaalsContact O-N 3.1Å; L712-L716 HydrophobicContact CD1-CD1 4.07Å; L712-L716 HydrophobicContact CD1-CD2 4.3Å; L712-L716 HydrophobicContact CD1-CG 3.98Å; L712-L716 HydrophobicContact CD2-CD1 4.45Å; L712-L716 HydrophobicContact CG-CD1 3.87Å; L712-L716 HydrophobicContact CG-CG 4.21Å; L712-L716 VanDerWaalsContact O-CG 3.3Å; L712-L716 WeakPolarHBondContact O-CG 2.97Å; L712-L716 PolarHBondContact O-N 2.82Å
713	L	93.3	Very high	92.9	Very high	42 Å²	42	50 Å²	50	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-41.9	-178.6	-68.2	174.6	0	0	0	112.1	V698 E709 T711 L716 Q717 L750	V698-L713 HydrophobicContact CG1-CD2 4.08Å; E709-L713 HydrophobicContact CG-CD1 4.18Å; E709-L713 HydrophobicContact CG-CG 4.4Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.36Å; E709-L713 PolarHBondContact O-N 2.89Å; T711-L713 PolarHBondContact O-N 3.29Å; L713-L716 PolarHBondContact O-N 2.87Å; L713-Q717 WeakPolarHBondContact O-CG 3.3Å; L713-Q717 PolarHBondContact O-N 3.1Å; L713-L750 HydrophobicContact CD2-CB 3.78Å; L713-L750 HydrophobicContact CD2-CD1 4.37Å
714	Q	92	Very high	92.9	Very high	30 Å²	30	43 Å²	43	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-38.1	176	-71.9	172.3	86.4	0	0	112.4	A710 T711 L712 L716 Q717 I718 L775 S777	A710-Q714 PolarHBondContact O-NE2 2.97Å; T711-Q714 PolarHBondContact O-N 3.43Å; L712-Q714 VanDerWaalsContact C-N 3.3Å; L712-Q714 PolarHBondContact O-N 3.39Å; Q714-L716 VanDerWaalsContact C-N 3.33Å; Q714-L716 PolarHBondContact O-N 3.32Å; Q714-Q717 PolarHBondContact O-N 3.49Å; Q714-I718 WeakPolarHBondContact O-CG1 3.36Å; Q714-I718 PolarHBondContact O-N 3.32Å; Q714-L775 HydrophobicContact CB-CD2 3.95Å; Q714-S777 VanDerWaalsContact NE2-CB 3.34Å; Q714-S777 PolarHBondContact NE2-OG 2.89Å; Q714-S777 VanDerWaalsContact OE1-N 3.14Å
715	I	93.6	Very high	92.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-47.2	173.4	-73.7	167.6	0	0	0	110.4	Y682 Q683 V686 I707 T711 L712 Q717 I718 L719 L775	Y682-I715 HydrophobicContact CD2-CD1 4.2Å; Y682-I715 HydrophobicContact CG-CD1 4.32Å; Q683-I715 HydrophobicContact CG-CG1 4.34Å; Q683-I715 HydrophobicContact CG-CG2 3.76Å; V686-I715 HydrophobicContact CG2-CG2 4.27Å; I707-I715 HydrophobicContact CD1-CD1 4.49Å; I707-I715 HydrophobicContact CG2-CD1 4.43Å; T711-I715 HydrophobicContact CG2-CD1 3.93Å; T711-I715 WeakPolarHBondContact O-CG1 3.49Å; T711-I715 PolarHBondContact O-N 2.88Å; L712-I715 WeakPolarHBondContact O-CB 3.32Å; L712-I715 PolarHBondContact O-N 3.49Å; L712-I715 VanDerWaalsContact O-N 3.1Å; I715-Q717 VanDerWaalsContact C-N 3.34Å; I715-Q717 PolarHBondContact O-N 3.4Å; I715-I718 WeakPolarHBondContact O-CB 3.4Å; I715-I718 PolarHBondContact O-N 3.46Å; I715-L719 HydrophobicContact CG2-CD1 4.22Å; I715-L719 WeakPolarHBondContact O-CG 3.3Å; I715-L719 PolarHBondContact O-N 2.96Å; I715-L775 HydrophobicContact CG1-CD2 4.4Å
716	L	95.9	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-39.9	178.9	-64.7	174.6	0	0	0	111.5	V686 V698 I701 L712 L713 Q714 I718 L719 L720 L725 L750 L756	V686-L716 HydrophobicContact CG1-CD2 3.93Å; V698-L716 HydrophobicContact CB-CD1 4.44Å; V698-L716 HydrophobicContact CG1-CD1 3.94Å; V698-L716 HydrophobicContact CG2-CD1 4Å; I701-L716 HydrophobicContact CD1-CD2 4.04Å; L712-L716 HydrophobicContact CD1-CD1 4.07Å; L712-L716 HydrophobicContact CD1-CD2 4.3Å; L712-L716 HydrophobicContact CD1-CG 3.98Å; L712-L716 HydrophobicContact CD2-CD1 4.45Å; L712-L716 HydrophobicContact CG-CD1 3.87Å; L712-L716 HydrophobicContact CG-CG 4.21Å; L712-L716 VanDerWaalsContact O-CG 3.3Å; L712-L716 WeakPolarHBondContact O-CG 2.97Å; L712-L716 PolarHBondContact O-N 2.82Å; L713-L716 PolarHBondContact O-N 2.87Å; Q714-L716 VanDerWaalsContact C-N 3.33Å; Q714-L716 PolarHBondContact O-N 3.32Å; L716-I718 PolarHBondContact O-N 3.11Å; L716-L719 PolarHBondContact O-N 2.87Å; L716-L720 WeakPolarHBondContact O-CB 3.43Å; L716-L720 VanDerWaalsContact O-CG 3.28Å; L716-L720 WeakPolarHBondContact O-CG 3.43Å; L716-L720 PolarHBondContact O-N 3.2Å; L716-L725 HydrophobicContact CD2-CD1 4.06Å; L716-L750 HydrophobicContact CB-CD1 3.75Å; L716-L750 HydrophobicContact CD1-CD1 4.43Å; L716-L756 HydrophobicContact CB-CD1 4.28Å; L716-L756 HydrophobicContact CD1-CD1 3.77Å; L716-L756 HydrophobicContact CD2-CD1 3.74Å; L716-L756 HydrophobicContact CG-CD1 4.13Å
717	Q	93.7	Very high	92.8	Very high	68 Å²	68	42 Å²	42	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-40.7	173	-75.1	175.9	-3.3	0	0	112.7	L713 Q714 I715 L720 K721 L750	L713-Q717 WeakPolarHBondContact O-CG 3.3Å; L713-Q717 PolarHBondContact O-N 3.1Å; Q714-Q717 PolarHBondContact O-N 3.49Å; I715-Q717 VanDerWaalsContact C-N 3.34Å; I715-Q717 PolarHBondContact O-N 3.4Å; Q717-L720 PolarHBondContact O-N 2.85Å; Q717-K721 VanDerWaalsContact O-CB 3.3Å; Q717-K721 WeakPolarHBondContact O-CB 3.37Å; Q717-K721 PolarHBondContact O-N 3.35Å; Q717-L750 HydrophobicContact CG-CD1 4.23Å
718	I	93.9	Very high	92.5	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.179	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-46.6	174.8	-69.6	166.6	0	0	0	110.3	Q714 I715 L716 K721 A722 L771 L775	Q714-I718 WeakPolarHBondContact O-CG1 3.36Å; Q714-I718 PolarHBondContact O-N 3.32Å; I715-I718 WeakPolarHBondContact O-CB 3.4Å; I715-I718 PolarHBondContact O-N 3.46Å; L716-I718 PolarHBondContact O-N 3.11Å; I718-K721 PolarHBondContact O-N 2.98Å; I718-A722 WeakPolarHBondContact O-CB 3.21Å; I718-A722 PolarHBondContact O-N 3.17Å; I718-L771 WeakPolarHBondContact CG2-O 3.49Å; I718-L775 HydrophobicContact CD1-CD2 3.54Å
719	L	95.7	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-36.4	-179.4	-64.9	178.3	0	0	0	112.5	V686 L687 I715 L716 K723 V724 L725 L771	V686-L719 HydrophobicContact CB-CD1 4.42Å; V686-L719 HydrophobicContact CG1-CD1 3.94Å; L687-L719 HydrophobicContact CD1-CD2 4.5Å; L687-L719 HydrophobicContact CD2-CD1 4.18Å; L687-L719 HydrophobicContact CD2-CD2 4.28Å; L687-L719 HydrophobicContact CG-CD1 4.46Å; I715-L719 HydrophobicContact CG2-CD1 4.22Å; I715-L719 WeakPolarHBondContact O-CG 3.3Å; I715-L719 PolarHBondContact O-N 2.96Å; L716-L719 PolarHBondContact O-N 2.87Å; L719-K723 PolarHBondContact O-N 3.38Å; L719-V724 HydrophobicContact CD2-CB 4.47Å; L719-V724 PolarHBondContact O-N 3.42Å; L719-L725 HydrophobicContact CB-CD1 3.88Å; L719-L725 HydrophobicContact CB-CG 4Å; L719-L725 HydrophobicContact CD1-CD1 3.92Å; L719-L725 PolarHBondContact O-N 3.17Å; L719-L771 HydrophobicContact CD2-CD1 4.08Å
720	L	94.8	Very high	90.7	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-47.3	173.6	-76.5	165.7	0	0	0	111.9	L716 Q717 A722 K723 L725 I727 L750 L756	L716-L720 WeakPolarHBondContact O-CB 3.43Å; L716-L720 VanDerWaalsContact O-CG 3.28Å; L716-L720 WeakPolarHBondContact O-CG 3.43Å; L716-L720 PolarHBondContact O-N 3.2Å; Q717-L720 PolarHBondContact O-N 2.85Å; L720-A722 VanDerWaalsContact C-N 3.27Å; L720-A722 PolarHBondContact O-N 2.82Å; L720-K723 WeakPolarHBondContact O-CA 3.42Å; L720-K723 PolarHBondContact O-N 2.99Å; L720-L725 HydrophobicContact CD2-CB 4.06Å; L720-L725 HydrophobicContact CG-CB 4.41Å; L720-I727 HydrophobicContact CD1-CD1 4.4Å; L720-I727 HydrophobicContact CD1-CG1 4.35Å; L720-I727 HydrophobicContact CD2-CG1 3.94Å; L720-L750 HydrophobicContact CD1-CD1 4.06Å; L720-L750 HydrophobicContact CD1-CD2 3.92Å; L720-L750 HydrophobicContact CD1-CG 4.44Å; L720-L756 HydrophobicContact CD1-CD2 4.19Å; L720-L756 HydrophobicContact CD2-CD2 4.1Å
721	K	92.6	Very high	89.4	Confident	152 Å²	152	41.3 Å²	41.3	66%	0.661	22%	0.22	S	C	*	.	H	α-helix	trans	-63.9	-35.1	177.2	-174.9	163.4	-178.8	154.6	0	111.5	Q717 I718 K723 D744	Q717-K721 VanDerWaalsContact O-CB 3.3Å; Q717-K721 WeakPolarHBondContact O-CB 3.37Å; Q717-K721 PolarHBondContact O-N 3.35Å; I718-K721 PolarHBondContact O-N 2.98Å; K721-K723 PolarHBondContact O-N 3.32Å; K721-D744 IonicContact NZ-OD1 3.24Å; K721-D744 PolarHBondContact NZ-OD1 2.91Å
722	A	93	Very high	88	Confident	28 Å²	28	49.8 Å²	49.8	23%	0.231	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.3	171.5	0	0	0	0	0	113.3	I718 L720 V724 Y762 L771	I718-A722 WeakPolarHBondContact O-CB 3.21Å; I718-A722 PolarHBondContact O-N 3.17Å; L720-A722 VanDerWaalsContact C-N 3.27Å; L720-A722 PolarHBondContact O-N 2.82Å; A722-V724 HydrophobicContact CB-CG2 3.99Å; A722-V724 PolarHBondContact O-N 3.46Å; A722-Y762 VanDerWaalsContact O-CE2 3.3Å; A722-Y762 WeakPolarHBondContact O-CE2 3.42Å; A722-L771 HydrophobicContact CB-CD2 3.55Å
723	K	93	Very high	85.8	Confident	104 Å²	104	51.9 Å²	51.9	45%	0.452	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	26.5	-174.2	-54.6	-174.8	179.1	-174.7	0	114	L719 L720 K721 V740 Y759 Y762	L719-K723 PolarHBondContact O-N 3.38Å; L720-K723 WeakPolarHBondContact O-CA 3.42Å; L720-K723 PolarHBondContact O-N 2.99Å; K721-K723 PolarHBondContact O-N 3.32Å; K723-V740 HydrophobicContact CD-CG1 4.29Å; K723-V740 VanDerWaalsContact NZ-CG1 3.27Å; K723-Y759 HydrophobicContact CB-CD1 4.5Å; K723-Y759 WeakPolarHBondContact O-CB 3.49Å; K723-Y759 WeakPolarHBondContact O-CD1 3.16Å; K723-Y762 WeakPolarHBondContact O-CD2 3.47Å
724	V	94.2	Very high	83.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-77.6	-35.3	171.6	-178.6	0	0	0	0	110	F677 L687 L719 A722 Y759 Y762 L771	F677-V724 HydrophobicContact CE2-CG1 4.02Å; F677-V724 HydrophobicContact CE2-CG2 4.14Å; F677-V724 HydrophobicContact CZ-CG2 4.07Å; L687-V724 HydrophobicContact CD2-CG1 3.61Å; L719-V724 HydrophobicContact CD2-CB 4.47Å; L719-V724 PolarHBondContact O-N 3.42Å; A722-V724 HydrophobicContact CB-CG2 3.99Å; A722-V724 PolarHBondContact O-N 3.46Å; V724-Y759 PolarHBondContact O-N 2.95Å; V724-Y762 HydrophobicContact CG2-CD2 4.4Å; V724-Y762 HydrophobicContact CG2-CE2 3.95Å; V724-L771 HydrophobicContact CG2-CD1 4Å
725	L	95.3	Very high	81.4	Confident	4 Å²	4	64 Å²	64	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	160.5	172.7	-58.6	-179.4	0	0	0	110.6	Y690 L716 L719 L720 L756 A757 L758	Y690-L725 HydrophobicContact CD2-CD2 4.16Å; Y690-L725 HydrophobicContact CE1-CD2 4.09Å; Y690-L725 HydrophobicContact CE2-CD1 4.25Å; Y690-L725 HydrophobicContact CE2-CD2 3.52Å; Y690-L725 VanDerWaalsContact CZ-CD2 3.47Å; L716-L725 HydrophobicContact CD2-CD1 4.06Å; L719-L725 HydrophobicContact CB-CD1 3.88Å; L719-L725 HydrophobicContact CB-CG 4Å; L719-L725 HydrophobicContact CD1-CD1 3.92Å; L719-L725 PolarHBondContact O-N 3.17Å; L720-L725 HydrophobicContact CD2-CB 4.06Å; L720-L725 HydrophobicContact CG-CB 4.41Å; L725-L756 HydrophobicContact CD1-CD1 4.5Å; L725-A757 CarbonylContact C-O 3.47Å; L725-A757 WeakPolarHBondContact CA-O 3.12Å; L725-L758 HydrophobicContact CD2-CD1 4.27Å
726	K	92.4	Very high	78.9	Confident	48 Å²	48	67.7 Å²	67.7	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.8	169.5	61.1	168.1	176.5	177.9	0	110.8	V728 L756 A757 Y759	K726-V728 HydrophobicContact CD-CG2 4.25Å; K726-V728 HydrophobicContact CG-CG2 4.15Å; K726-L756 WeakPolarHBondContact O-CA 3.27Å; K726-A757 HydrophobicContact CG-CB 4.09Å; K726-A757 PolarHBondContact N-O 2.96Å; K726-A757 PolarHBondContact O-N 3.45Å; K726-Y759 HydrophobicContact CD-CD2 4.13Å
727	I	92	Very high	76.4	Confident	50 Å²	50	77.3 Å²	77.3	26%	0.256	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.7	170.8	-60.3	170.4	0	0	0	108.2	L720 L750 T754 L756	L720-I727 HydrophobicContact CD1-CD1 4.4Å; L720-I727 HydrophobicContact CD1-CG1 4.35Å; L720-I727 HydrophobicContact CD2-CG1 3.94Å; I727-L750 HydrophobicContact CD1-CD2 4.22Å; I727-T754 HydrophobicContact CG1-CG2 4.34Å; I727-T754 HydrophobicContact CG2-CG2 3.88Å; I727-L756 HydrophobicContact CG1-CD2 3.73Å
728	V	87.1	Confident	74.1	Confident	16 Å²	16	75.5 Å²	75.5	10%	0.097	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.6	178.4	-173.5	0	0	0	0	109.4	K726 D730 H755 A757	K726-V728 HydrophobicContact CD-CG2 4.25Å; K726-V728 HydrophobicContact CG-CG2 4.15Å; V728-D730 WeakPolarHBondContact CG1-O 3.31Å; V728-H755 PolarHBondContact N-O 3.06Å; V728-A757 HydrophobicContact CG2-CB 3.45Å; V728-A757 VanDerWaalsContact CG2-CB 3.45Å
729	S	74.8	Confident	71.9	Confident	113 Å²	113	79.8 Å²	79.8	79%	0.79	42%	0.417	S	S	*	.	S	Bend	trans	-79.7	-33.9	-179.5	-54.1	0	0	0	0	112.8
730	D	67.4	Low	69.3	Low	75 Å²	75	83.6 Å²	83.6	40%	0.401	44%	0.44	S	S	.	.			trans	-125.4	116.6	176.3	-173.3	-13.8	0	0	0	110.5	V728 K732 C733	V728-D730 WeakPolarHBondContact CG1-O 3.31Å; D730-K732 PolarHBondContact O-N 2.82Å; D730-K732 PolarHBondContact OD1-N 3.07Å; D730-C733 HydrophobicContact CB-CB 4.21Å; D730-C733 PolarHBondContact O-N 3.12Å
731	P	60.4	Low	67	Low	72 Å²	72	87.1 Å²	87.1	47%	0.468	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.4	179.7	24.3	-33.7	0	0	0	114.2
732	K	59.1	Low	64.3	Low	190 Å²	190	84.7 Å²	84.7	83%	0.826	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.6	180	-65.7	-179.6	-179.5	175.9	0	115	D730	D730-K732 PolarHBondContact O-N 2.82Å; D730-K732 PolarHBondContact OD1-N 3.07Å
733	C	48.4	Very low	61.5	Low	46 Å²	46	90 Å²	90	31%	0.311	49%	0.485	S	S	.	.			trans	-102.2	99.6	-175	-157.6	0	0	0	0	111.6	D730 L735 D736	D730-C733 HydrophobicContact CB-CB 4.21Å; D730-C733 PolarHBondContact O-N 3.12Å; C733-L735 PolarHBondContact O-N 3.29Å; C733-D736 PolarHBondContact SG-OD1 3.32Å; C733-D736 VanDerWaalsContact SG-OD1 3.39Å
734	E	49.8	Very low	59.2	Low	173 Å²	173	92 Å²	92	81%	0.808	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18	175.8	-74.9	-174.8	157.2	0	0	113.4
735	L	42	Very low	56.6	Low	154 Å²	154	96.5 Å²	96.5	81%	0.806	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	3.2	-166.7	-85.1	139	0	0	0	115.6	C733 Q737	C733-L735 PolarHBondContact O-N 3.29Å; L735-Q737 PolarHBondContact O-N 2.92Å; L735-Q737 VanDerWaalsContact O-N 3.14Å
736	D	42	Very low	53.9	Low	79 Å²	79	103 Å²	103	42%	0.422	57%	0.566	S	S	.	*			trans	-66.4	120	174.4	-83.5	-6.2	0	0	0	109.7	C733 S738	C733-D736 PolarHBondContact SG-OD1 3.32Å; C733-D736 VanDerWaalsContact SG-OD1 3.39Å; D736-S738 PolarHBondContact O-N 3.27Å; D736-S738 PolarHBondContact O-OG 2.94Å
737	Q	42.4	Very low	51.9	Low	202 Å²	202	107.9 Å²	107.9	94%	0.944	59%	0.59	S	S	*	*			trans	-60.8	74.7	166.6	-66.1	177.5	14.8	0	0	108	L735	L735-Q737 PolarHBondContact O-N 2.92Å; L735-Q737 VanDerWaalsContact O-N 3.14Å
738	S	46.4	Very low	50.1	Low	30 Å²	30	107.4 Å²	107.4	21%	0.21	59%	0.592	C	S	.	*			trans	-67.7	140.8	-172.2	6.8	0	0	0	0	107.8	D736 V740	D736-S738 PolarHBondContact O-N 3.27Å; D736-S738 PolarHBondContact O-OG 2.94Å; S738-V740 PolarHBondContact O-N 3.45Å
739	T	46.9	Very low	49.3	Very low	125 Å²	125	115.2 Å²	115.2	77%	0.767	63%	0.627	S	S	*	*			trans	-49.4	82.5	175.8	13.8	0	0	0	0	110.4	I741	T739-I741 VanDerWaalsContact C-N 3.28Å; T739-I741 PolarHBondContact O-N 3.11Å
740	V	41.8	Very low	49.7	Very low	80 Å²	80	110.3 Å²	110.3	49%	0.485	59%	0.592	S	S	.	*			trans	-62.4	102.1	162.8	177.4	0	0	0	0	103.2	K723 S738 S742	K723-V740 HydrophobicContact CD-CG1 4.29Å; K723-V740 VanDerWaalsContact NZ-CG1 3.27Å; S738-V740 PolarHBondContact O-N 3.45Å; V740-S742 VanDerWaalsContact C-N 3.26Å; V740-S742 PolarHBondContact O-N 2.68Å
741	I	45.1	Very low	50.6	Low	89 Å²	89	108.9 Å²	108.9	46%	0.456	59%	0.587	S	S	.	*			trans	-50.7	96.2	-179.7	-59.3	168.7	0	0	0	107.2	T739	T739-I741 VanDerWaalsContact C-N 3.28Å; T739-I741 PolarHBondContact O-N 3.11Å
742	S	35.8	Very low	51.9	Low	101 Å²	101	108.5 Å²	108.5	71%	0.706	59%	0.585	S	S	*	*			trans	-92.3	128.3	168.2	52.8	0	0	0	0	105.6	V740	V740-S742 VanDerWaalsContact C-N 3.26Å; V740-S742 PolarHBondContact O-N 2.68Å
743	D	35.6	Very low	53.3	Low	139 Å²	139	105.3 Å²	105.3	74%	0.743	58%	0.577	S	S	*	*	S	Bend	trans	78.5	134.9	173.8	-68.2	-23.8	0	0	0	119.1	S745	D743-S745 PolarHBondContact O-N 3.4Å
744	D	44.1	Very low	55.4	Low	145 Å²	145	104.2 Å²	104.2	78%	0.775	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	36	-154.9	-134.3	1.3	0	0	0	113.3	K721	K721-D744 IonicContact NZ-OD1 3.24Å; K721-D744 PolarHBondContact NZ-OD1 2.91Å
745	S	39.6	Very low	57.4	Low	96 Å²	96	98.9 Å²	98.9	67%	0.671	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	-4.7	-167	54.5	0	0	0	0	119.2	D743	D743-S745 PolarHBondContact O-N 3.4Å
746	N	39.5	Very low	59.9	Low	139 Å²	139	91.6 Å²	91.6	74%	0.743	51%	0.505	S	S	*	.			trans	-124.8	103.9	174.1	-73.9	-29.9	0	0	0	111.1	S748	N746-S748 PolarHBondContact O-N 2.97Å
747	E	48.8	Very low	62.4	Low	151 Å²	151	88.1 Å²	88.1	71%	0.706	49%	0.488	S	S	*	.			trans	-57.7	93.9	160.7	-76.5	-174.6	163.5	0	0	107.2	H749 K776	E747-H749 PolarHBondContact O-N 2.72Å; E747-K776 IonicContact OE1-NZ 3.91Å
748	S	54.5	Low	64.8	Low	41 Å²	41	79.2 Å²	79.2	29%	0.287	45%	0.446	S	S	.	.			trans	-61.9	111.1	176.3	31.1	0	0	0	0	107.6	N746 L750	N746-S748 PolarHBondContact O-N 2.97Å; S748-L750 PolarHBondContact O-N 3.34Å
749	H	69.8	Low	67	Low	180 Å²	180	80.9 Å²	80.9	83%	0.833	45%	0.449	S	S	*	.			trans	-66.7	97.4	178.4	-168.1	-69.7	0	0	0	108.4	E747 S751	E747-H749 PolarHBondContact O-N 2.72Å; H749-S751 PolarHBondContact O-N 3.05Å
750	L	84.1	Confident	69	Low	10 Å²	10	77.9 Å²	77.9	5%	0.052	43%	0.43	C	S	.	.			trans	-64.4	121.8	173.7	-72.2	169	0	0	0	108.4	L713 L716 Q717 L720 I727 S748 T754 L756	L713-L750 HydrophobicContact CD2-CB 3.78Å; L713-L750 HydrophobicContact CD2-CD1 4.37Å; L716-L750 HydrophobicContact CB-CD1 3.75Å; L716-L750 HydrophobicContact CD1-CD1 4.43Å; Q717-L750 HydrophobicContact CG-CD1 4.23Å; L720-L750 HydrophobicContact CD1-CD1 4.06Å; L720-L750 HydrophobicContact CD1-CD2 3.92Å; L720-L750 HydrophobicContact CD1-CG 4.44Å; I727-L750 HydrophobicContact CD1-CD2 4.22Å; S748-L750 PolarHBondContact O-N 3.34Å; L750-T754 HydrophobicContact CD2-CG2 3.86Å; L750-L756 HydrophobicContact CD2-CD2 4.13Å
751	S	86.7	Confident	71.2	Confident	45 Å²	45	79.2 Å²	79.2	32%	0.315	44%	0.435	S	S	.	.			trans	-93.2	159.5	171.8	70.6	0	0	0	0	110.6	V698 H749 D753 T754	V698-S751 WeakPolarHBondContact CB-O 3.24Å; V698-S751 WeakPolarHBondContact CG2-O 3.03Å; H749-S751 PolarHBondContact O-N 3.05Å; S751-D753 PolarHBondContact O-N 3.25Å; S751-D753 VanDerWaalsContact O-N 3.11Å; S751-T754 PolarHBondContact N-OG1 2.87Å; S751-T754 VanDerWaalsContact O-CB 3.3Å; S751-T754 WeakPolarHBondContact O-CB 3.37Å; S751-T754 PolarHBondContact O-N 2.99Å; S751-T754 PolarHBondContact O-OG1 2.84Å; S751-T754 PolarHBondContact OG-N 2.86Å; S751-T754 PolarHBondContact OG-OG1 3.18Å
752	P	87.4	Confident	73.4	Confident	64 Å²	64	75.3 Å²	75.3	42%	0.416	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.6	176.3	-26.2	34.8	0	0	0	113.8	V698 S699	V698-P752 PolarHBondContact N-O 2.98Å; S699-P752 WeakPolarHBondContact CB-O 3.16Å; S699-P752 PolarHBondContact N-O 3.48Å
753	D	88.7	Confident	75.9	Confident	123 Å²	123	79 Å²	79	66%	0.658	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.1	-179	-56.1	-42.9	0	0	0	113.5	S751 H755	S751-D753 PolarHBondContact O-N 3.25Å; S751-D753 VanDerWaalsContact O-N 3.11Å; D753-H755 PolarHBondContact O-N 2.74Å
754	T	92	Very high	78.6	Confident	23 Å²	23	75.3 Å²	75.3	14%	0.141	40%	0.398	C	S	.	.			trans	-64.8	124.1	178.6	-61.4	0	0	0	0	110.1	T697 V698 I727 L750 S751 L756	T697-T754 WeakPolarHBondContact CA-O 3.39Å; V698-T754 PolarHBondContact N-O 3.12Å; V698-T754 VanDerWaalsContact N-O 3.15Å; I727-T754 HydrophobicContact CG1-CG2 4.34Å; I727-T754 HydrophobicContact CG2-CG2 3.88Å; L750-T754 HydrophobicContact CD2-CG2 3.86Å; S751-T754 PolarHBondContact N-OG1 2.87Å; S751-T754 VanDerWaalsContact O-CB 3.3Å; S751-T754 WeakPolarHBondContact O-CB 3.37Å; S751-T754 PolarHBondContact O-N 2.99Å; S751-T754 PolarHBondContact O-OG1 2.84Å; S751-T754 PolarHBondContact OG-N 2.86Å; S751-T754 PolarHBondContact OG-OG1 3.18Å; T754-L756 HydrophobicContact CG2-CD2 4.2Å
755	H	92.6	Very high	80.8	Confident	61 Å²	61	78.7 Å²	78.7	28%	0.282	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.3	176	-71.1	-86.9	0	0	0	111.1	V695 T697 V728 D753	V695-H755 HydrophobicContact CG1-CB 4.17Å; T697-H755 WeakPolarHBondContact CG2-CE1 3.46Å; T697-H755 WeakPolarHBondContact CG2-ND1 3.35Å; V728-H755 PolarHBondContact N-O 3.06Å; D753-H755 PolarHBondContact O-N 2.74Å
756	L	94.9	Very high	83.3	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.6	178	-61.9	-179.5	0	0	0	109.7	Y690 V695 Y696 V698 I701 L716 L720 L725 K726 I727 L750 T754	Y690-L756 WeakPolarHBondContact CE1-O 3.36Å; Y690-L756 WeakPolarHBondContact OH-CB 3.38Å; Y690-L756 PolarHBondContact OH-O 3.41Å; V695-L756 WeakPolarHBondContact CA-O 3.33Å; Y696-L756 PolarHBondContact N-O 2.89Å; Y696-L756 PolarHBondContact O-N 3.33Å; V698-L756 HydrophobicContact CG2-CD1 4.02Å; V698-L756 HydrophobicContact CG2-CG 4.42Å; I701-L756 HydrophobicContact CD1-CD1 4.21Å; L716-L756 HydrophobicContact CB-CD1 4.28Å; L716-L756 HydrophobicContact CD1-CD1 3.77Å; L716-L756 HydrophobicContact CD2-CD1 3.74Å; L716-L756 HydrophobicContact CG-CD1 4.13Å; L720-L756 HydrophobicContact CD1-CD2 4.19Å; L720-L756 HydrophobicContact CD2-CD2 4.1Å; L725-L756 HydrophobicContact CD1-CD1 4.5Å; K726-L756 WeakPolarHBondContact O-CA 3.27Å; I727-L756 HydrophobicContact CG1-CD2 3.73Å; L750-L756 HydrophobicContact CD2-CD2 4.13Å; T754-L756 HydrophobicContact CG2-CD2 4.2Å
757	A	94.1	Very high	85.9	Confident	6 Å²	6	80.3 Å²	80.3	5%	0.05	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149.7	176.1	0	0	0	0	0	111.9	L694 V695 L725 K726 V728 Y759	L694-A757 CarbonylContact O-C 3.56Å; L694-A757 WeakPolarHBondContact O-CA 3.48Å; V695-A757 HydrophobicContact CG2-CB 3.91Å; L725-A757 CarbonylContact C-O 3.47Å; L725-A757 WeakPolarHBondContact CA-O 3.12Å; K726-A757 HydrophobicContact CG-CB 4.09Å; K726-A757 PolarHBondContact N-O 2.96Å; K726-A757 PolarHBondContact O-N 3.45Å; V728-A757 HydrophobicContact CG2-CB 3.45Å; V728-A757 VanDerWaalsContact CG2-CB 3.45Å; A757-Y759 PolarHBondContact O-N 3.44Å
758	L	93.2	Very high	88.1	Confident	15 Å²	15	80 Å²	80	8%	0.079	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.1	169.9	-173	68.7	0	0	0	110	Y670 Y690 L694 L725 T760	Y670-L758 HydrophobicContact CD1-CD2 3.95Å; Y670-L758 HydrophobicContact CD2-CD2 4.04Å; Y670-L758 HydrophobicContact CE1-CD1 4.23Å; Y670-L758 HydrophobicContact CE1-CD2 3.94Å; Y670-L758 HydrophobicContact CE1-CG 4.47Å; Y670-L758 HydrophobicContact CE2-CD1 4.44Å; Y670-L758 HydrophobicContact CE2-CD2 4.02Å; Y670-L758 HydrophobicContact CE2-CG 4.14Å; Y670-L758 HydrophobicContact CG-CD2 4.01Å; Y690-L758 HydrophobicContact CD1-CB 3.75Å; Y690-L758 HydrophobicContact CE1-CB 4.28Å; Y690-L758 HydrophobicContact CG-CB 4.25Å; Y690-L758 HydrophobicContact CG-CD1 4.44Å; L694-L758 HydrophobicContact CD2-CB 4.33Å; L694-L758 HydrophobicContact CD2-CD2 4.01Å; L694-L758 PolarHBondContact O-N 2.71Å; L725-L758 HydrophobicContact CD2-CD1 4.27Å; L758-T760 PolarHBondContact O-N 3.45Å
759	Y	91.6	Very high	89.9	Confident	65 Å²	65	78.9 Å²	78.9	26%	0.255	38%	0.379	S	S	.	.			trans	-84.4	96.8	174.7	-173.4	-116.7	0	0	0	110.5	Y670 K723 V724 K726 A757 D761 Y762	Y670-Y759 WeakPolarHBondContact CE2-O 3.4Å; K723-Y759 HydrophobicContact CB-CD1 4.5Å; K723-Y759 WeakPolarHBondContact O-CB 3.49Å; K723-Y759 WeakPolarHBondContact O-CD1 3.16Å; V724-Y759 PolarHBondContact O-N 2.95Å; K726-Y759 HydrophobicContact CD-CD2 4.13Å; A757-Y759 PolarHBondContact O-N 3.44Å; Y759-D761 VanDerWaalsContact C-N 3.32Å; Y759-D761 HydrophobicContact CE1-CB 4.1Å; Y759-D761 WeakPolarHBondContact CE1-O 3.36Å; Y759-D761 HydrophobicContact CE2-CB 4.14Å; Y759-D761 PolarHBondContact O-N 2.98Å; Y759-Y762 PolarHBondContact O-N 3.1Å
760	T	88.9	Confident	91	Very high	63 Å²	63	75.8 Å²	75.8	39%	0.387	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.2	-175.5	49	0	0	0	0	113.6	L758 Y762	L758-T760 PolarHBondContact O-N 3.45Å; T760-Y762 PolarHBondContact O-N 3.42Å
761	D	87.9	Confident	91.4	Very high	107 Å²	107	75.6 Å²	75.6	57%	0.572	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	27.5	177.5	-72.7	-45.2	0	0	0	113.8	Y759 K763	Y759-D761 VanDerWaalsContact C-N 3.32Å; Y759-D761 HydrophobicContact CE1-CB 4.1Å; Y759-D761 WeakPolarHBondContact CE1-O 3.36Å; Y759-D761 HydrophobicContact CE2-CB 4.14Å; Y759-D761 PolarHBondContact O-N 2.98Å; D761-K763 PolarHBondContact O-N 3.05Å
762	Y	91.3	Very high	91.6	Very high	8 Å²	8	74.8 Å²	74.8	3%	0.031	35%	0.352	C	S	.	.			trans	-56.6	128.1	-179.5	-178.8	-98	0	0	0	112.2	Y675 F677 A722 K723 V724 Y759 T760 N764	Y675-Y762 HydrophobicContact CD1-CE1 4Å; Y675-Y762 AromaticContact CD2-CD1 3.54Å; Y675-Y762 HydrophobicContact CD2-CD1 3.54Å; Y675-Y762 AromaticContact CD2-CE1 3.75Å; Y675-Y762 HydrophobicContact CD2-CE1 3.75Å; Y675-Y762 HydrophobicContact CE1-CE1 4.25Å; Y675-Y762 AromaticContact CE2-CD1 3.63Å; Y675-Y762 HydrophobicContact CE2-CD1 3.63Å; Y675-Y762 AromaticContact CE2-CE1 3.97Å; Y675-Y762 HydrophobicContact CE2-CE1 3.97Å; Y675-Y762 HydrophobicContact CG-CD1 4.06Å; Y675-Y762 AromaticContact CG-CE1 3.77Å; Y675-Y762 HydrophobicContact CG-CE1 3.77Å; F677-Y762 HydrophobicContact CE1-CD1 4.44Å; F677-Y762 AromaticContact CE1-CE1 3.65Å; F677-Y762 HydrophobicContact CE1-CE1 3.65Å; F677-Y762 AromaticContact CE1-CZ 3.79Å; F677-Y762 HydrophobicContact CZ-CD1 4.08Å; F677-Y762 AromaticContact CZ-CE1 3.7Å; F677-Y762 HydrophobicContact CZ-CE1 3.7Å; F677-Y762 HydrophobicContact CZ-CE2 4.47Å; F677-Y762 AromaticContact CZ-CZ 3.91Å; A722-Y762 VanDerWaalsContact O-CE2 3.3Å; A722-Y762 WeakPolarHBondContact O-CE2 3.42Å; K723-Y762 WeakPolarHBondContact O-CD2 3.47Å; V724-Y762 HydrophobicContact CG2-CD2 4.4Å; V724-Y762 HydrophobicContact CG2-CE2 3.95Å; Y759-Y762 PolarHBondContact O-N 3.1Å; T760-Y762 PolarHBondContact O-N 3.42Å; Y762-N764 HydrophobicContact CE1-CB 3.8Å; Y762-N764 WeakPolarHBondContact OH-CB 3.41Å; Y762-N764 PolarHBondContact OH-ND2 2.85Å; Y762-N764 VanDerWaalsContact OH-ND2 3.09Å
763	K	89.4	Confident	91.6	Very high	179 Å²	179	75.1 Å²	75.1	78%	0.778	35%	0.353	S	S	*	.			trans	-136.4	127.9	176	-68.3	179.3	-173.9	173.5	0	109.6	D761	D761-K763 PolarHBondContact O-N 3.05Å
764	N	90.9	Very high	91.2	Very high	61 Å²	61	73.8 Å²	73.8	33%	0.326	35%	0.351	S	S	.	.			trans	-135.5	147	173.1	-161.6	-55.8	0	0	0	110.1	Y675 Y762 R766 V769	Y675-N764 HydrophobicContact CD1-CB 4.39Å; Y675-N764 HydrophobicContact CE1-CB 3.86Å; Y675-N764 WeakPolarHBondContact CE1-O 3.47Å; Y675-N764 PolarHBondContact OH-N 2.91Å; Y675-N764 VanDerWaalsContact OH-N 3.08Å; Y675-N764 PolarHBondContact OH-O 3.23Å; Y675-N764 VanDerWaalsContact OH-O 3.11Å; Y762-N764 HydrophobicContact CE1-CB 3.8Å; Y762-N764 WeakPolarHBondContact OH-CB 3.41Å; Y762-N764 PolarHBondContact OH-ND2 2.85Å; Y762-N764 VanDerWaalsContact OH-ND2 3.09Å; N764-R766 VanDerWaalsContact C-N 3.26Å; N764-R766 PolarHBondContact O-N 3.12Å; N764-R766 PolarHBondContact OD1-N 3.44Å; N764-V769 HydrophobicContact CB-CG2 4.23Å
765	K	91.9	Very high	90.7	Very high	216 Å²	216	73.4 Å²	73.4	94%	0.939	35%	0.347	S	S	*	.	S	Bend	trans	-65.1	-30.7	175.2	-68.9	-176	178.8	-180	0	112
766	R	91.2	Very high	89.8	Confident	192 Å²	192	77.7 Å²	77.7	73%	0.725	37%	0.365	S	S	*	.			trans	-100.5	136	179	-62.8	-177.1	178.9	-176.6	0.3	110.2	Y675 N764 R768 V769	Y675-R766 WeakPolarHBondContact CD1-O 3.3Å; Y675-R766 WeakPolarHBondContact CE1-O 3.25Å; N764-R766 VanDerWaalsContact C-N 3.26Å; N764-R766 PolarHBondContact O-N 3.12Å; N764-R766 PolarHBondContact OD1-N 3.44Å; R766-R768 WeakPolarHBondContact CB-O 3.49Å; R766-V769 WeakPolarHBondContact O-CG2 3.36Å
767	V	93.5	Very high	88.6	Confident	77 Å²	77	79.9 Å²	79.9	47%	0.467	38%	0.38	S	S	.	.	S	Bend	trans	-74.4	-42.9	175.7	178.7	0	0	0	0	111	T673 R674 Y675 I676	T673-V767 HydrophobicContact CG2-CG2 4.39Å; R674-V767 VanDerWaalsContact O-CG1 3.31Å; R674-V767 WeakPolarHBondContact O-CG1 3.47Å; Y675-V767 CarbonylContact C-O 3.6Å; Y675-V767 WeakPolarHBondContact CA-O 3.43Å; I676-V767 PolarHBondContact N-O 2.76Å
768	R	94.5	Very high	87.5	Confident	144 Å²	144	81.3 Å²	81.3	54%	0.543	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.3	170	-61.1	-171.6	111.3	132.2	-1.7	109.3	E665 I676 R766	E665-R768 IonicContact OE1-NH2 3.51Å; E665-R768 IonicContact OE2-CZ 3.82Å; E665-R768 IonicContact OE2-NH2 2.77Å; E665-R768 PolarHBondContact OE2-NH2 3.03Å; I676-R768 HydrophobicContact CB-CG 4.11Å; I676-R768 HydrophobicContact CD1-CG 4.12Å; I676-R768 HydrophobicContact CG1-CG 4.5Å; I676-R768 CarbonylContact O-C 3.47Å; I676-R768 WeakPolarHBondContact O-CA 3.21Å; R766-R768 WeakPolarHBondContact CB-O 3.49Å
769	V	94.1	Very high	86.5	Confident	17 Å²	17	84.1 Å²	84.1	10%	0.103	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.4	-176.6	-172.9	0	0	0	0	109	I676 F677 Q678 N764 R766 L771	I676-V769 PolarHBondContact O-N 3.36Å; F677-V769 WeakPolarHBondContact CA-O 3.39Å; F677-V769 HydrophobicContact CD1-CB 3.97Å; F677-V769 HydrophobicContact CD1-CG2 4.39Å; F677-V769 HydrophobicContact CE1-CB 4.31Å; F677-V769 HydrophobicContact CE1-CG2 4.33Å; Q678-V769 PolarHBondContact N-O 2.95Å; N764-V769 HydrophobicContact CB-CG2 4.23Å; R766-V769 WeakPolarHBondContact O-CG2 3.36Å; V769-L771 HydrophobicContact CG1-CD2 3.79Å; V769-L771 HydrophobicContact CG1-CG 4.26Å
770	Y	91.7	Very high	85.7	Confident	115 Å²	115	87.8 Å²	87.8	45%	0.451	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.4	177.9	-172.8	-93.8	0	0	0	109.7	Q678 N772 V773	Q678-Y770 HydrophobicContact CB-CD2 3.95Å; Y770-N772 VanDerWaalsContact CE1-C 3.44Å; Y770-N772 HydrophobicContact CE1-CB 4.33Å; Y770-N772 WeakPolarHBondContact CE1-O 3.35Å; Y770-N772 HydrophobicContact CE2-CB 4.26Å; Y770-N772 PolarHBondContact OH-O 3.24Å; Y770-V773 HydrophobicContact CD1-CG2 4.44Å
771	L	93	Very high	85.1	Confident	7 Å²	7	89.8 Å²	89.8	4%	0.037	43%	0.426	C	S	.	.			trans	-107	-14.2	179.9	-60.9	-178.2	0	0	0	112.7	F677 Q678 V679 Q683 I718 L719 A722 V724 V769 V773	F677-L771 HydrophobicContact CB-CD1 3.94Å; F677-L771 HydrophobicContact CD1-CD1 4.17Å; F677-L771 HydrophobicContact CD2-CD1 4.18Å; F677-L771 HydrophobicContact CG-CD1 3.86Å; Q678-L771 PolarHBondContact O-N 3.06Å; V679-L771 HydrophobicContact CG1-CB 4.01Å; V679-L771 HydrophobicContact CG1-CD1 4.12Å; Q683-L771 PolarHBondContact NE2-O 3.33Å; Q683-L771 PolarHBondContact OE1-O 2.89Å; I718-L771 WeakPolarHBondContact CG2-O 3.49Å; L719-L771 HydrophobicContact CD2-CD1 4.08Å; A722-L771 HydrophobicContact CB-CD2 3.55Å; V724-L771 HydrophobicContact CG2-CD1 4Å; V769-L771 HydrophobicContact CG1-CD2 3.79Å; V769-L771 HydrophobicContact CG1-CG 4.26Å; L771-V773 PolarHBondContact O-N 3.04Å
772	N	90.6	Very high	84.7	Confident	27 Å²	27	86 Å²	86	14%	0.144	41%	0.405	C	S	.	.			trans	-75.5	59.6	178.6	-169.5	10.7	0	0	0	112.9	Q678 Y770	Q678-N772 PolarHBondContact O-N 3.47Å; Y770-N772 VanDerWaalsContact CE1-C 3.44Å; Y770-N772 HydrophobicContact CE1-CB 4.33Å; Y770-N772 WeakPolarHBondContact CE1-O 3.35Å; Y770-N772 HydrophobicContact CE2-CB 4.26Å; Y770-N772 PolarHBondContact OH-O 3.24Å
773	V	86.6	Confident	84.4	Confident	72 Å²	72	87.9 Å²	87.9	44%	0.436	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-81.4	137.6	177.2	-174.3	0	0	0	0	109.2	Y770 L771	Y770-V773 HydrophobicContact CD1-CG2 4.44Å; L771-V773 PolarHBondContact O-N 3.04Å
774	P	80.9	Confident	84.1	Confident	95 Å²	95	84.8 Å²	84.8	62%	0.617	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-54.3	138.9	177.2	-25.3	33.8	0	0	0	112.6
775	L	81.5	Confident	84	Confident	14 Å²	14	86.3 Å²	86.3	7%	0.073	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-78.1	143.1	179.7	-54.4	179.3	0	0	0	110.4	T711 Q714 I715 I718 S777 E778	T711-L775 HydrophobicContact CG2-CD1 3.74Å; Q714-L775 HydrophobicContact CB-CD2 3.95Å; I715-L775 HydrophobicContact CG1-CD2 4.4Å; I718-L775 HydrophobicContact CD1-CD2 3.54Å; L775-S777 PolarHBondContact O-N 3.24Å; L775-E778 HydrophobicContact CB-CB 4.29Å; L775-E778 HydrophobicContact CB-CG 3.91Å; L775-E778 HydrophobicContact CD1-CG 4.35Å; L775-E778 PolarHBondContact N-OE2 2.84Å; L775-E778 PolarHBondContact O-N 3.45Å
776	K	73.3	Confident	83.8	Confident	152 Å²	152	76.3 Å²	76.3	66%	0.661	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-45	-178	-71.2	-178.2	-175.9	173.1	0	111	E747 E778 T779	E747-K776 IonicContact OE1-NZ 3.91Å; K776-E778 VanDerWaalsContact C-N 3.26Å; K776-E778 PolarHBondContact O-N 3.15Å; K776-T779 PolarHBondContact O-N 3.39Å; K776-T779 PolarHBondContact O-OG1 2.86Å
777	S	70	Confident	83.7	Confident	45 Å²	45	68.4 Å²	68.4	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-36.6	-178.7	65.9	0	0	0	0	112.3	Q714 L775 Q781	Q714-S777 VanDerWaalsContact NE2-CB 3.34Å; Q714-S777 PolarHBondContact NE2-OG 2.89Å; Q714-S777 VanDerWaalsContact OE1-N 3.14Å; L775-S777 PolarHBondContact O-N 3.24Å; S777-Q781 VanDerWaalsContact O-CB 3.27Å; S777-Q781 WeakPolarHBondContact O-CB 3.43Å; S777-Q781 PolarHBondContact O-N 3.46Å
778	E	70.4	Confident	83.4	Confident	36 Å²	36	66.1 Å²	66.1	17%	0.168	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-49.8	179.7	-73.8	-179.2	151.8	0	0	110.1	L775 K776 K780 Q781 E782	L775-E778 HydrophobicContact CB-CB 4.29Å; L775-E778 HydrophobicContact CB-CG 3.91Å; L775-E778 HydrophobicContact CD1-CG 4.35Å; L775-E778 PolarHBondContact N-OE2 2.84Å; L775-E778 PolarHBondContact O-N 3.45Å; K776-E778 VanDerWaalsContact C-N 3.26Å; K776-E778 PolarHBondContact O-N 3.15Å; E778-K780 PolarHBondContact O-N 3.36Å; E778-Q781 PolarHBondContact O-N 3.33Å; E778-E782 WeakPolarHBondContact O-CA 3.41Å; E778-E782 WeakPolarHBondContact O-CB 3.48Å; E778-E782 WeakPolarHBondContact O-CG 3.22Å; E778-E782 PolarHBondContact O-N 2.9Å
779	T	73.3	Confident	83.2	Confident	74 Å²	74	62.1 Å²	62.1	45%	0.454	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-40.6	-173.2	59.4	0	0	0	0	115.3	K776 I783	K776-T779 PolarHBondContact O-N 3.39Å; K776-T779 PolarHBondContact O-OG1 2.86Å; T779-I783 WeakPolarHBondContact O-CG1 3.31Å; T779-I783 PolarHBondContact O-N 2.88Å
780	K	74.1	Confident	83.1	Confident	142 Å²	142	61.4 Å²	61.4	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-76.2	-48.3	179.1	-174.7	-178.7	175.6	-174.7	0	111.4	E778 E782 I783 E784	E778-K780 PolarHBondContact O-N 3.36Å; K780-E782 PolarHBondContact O-N 2.87Å; K780-I783 PolarHBondContact O-N 3.41Å; K780-I783 VanDerWaalsContact O-N 3.1Å; K780-E784 VanDerWaalsContact CE-OE1 3.28Å; K780-E784 WeakPolarHBondContact CE-OE1 3.48Å; K780-E784 PolarHBondContact O-N 3.27Å
781	Q	76.8	Confident	83	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-57.6	-36.5	177.7	-168.1	-174.3	18.9	0	0	110.7	S777 E778 E784 Q785	S777-Q781 VanDerWaalsContact O-CB 3.27Å; S777-Q781 WeakPolarHBondContact O-CB 3.43Å; S777-Q781 PolarHBondContact O-N 3.46Å; E778-Q781 PolarHBondContact O-N 3.33Å; Q781-E784 PolarHBondContact O-N 3.26Å; Q781-Q785 HydrophobicContact CG-CG 4.36Å; Q781-Q785 VanDerWaalsContact O-CB 3.28Å; Q781-Q785 WeakPolarHBondContact O-CB 3.34Å; Q781-Q785 WeakPolarHBondContact O-CG 3.28Å; Q781-Q785 PolarHBondContact O-N 3.46Å
782	E	80.3	Confident	82.9	Confident	27 Å²	27	62.3 Å²	62.3	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-40.8	176.7	-88.8	-175.4	-139.1	0	0	114.3	K538 R542 E778 K780 T786	K538-E782 WeakPolarHBondContact CE-OE2 3.31Å; K538-E782 PolarHBondContact NZ-O 2.69Å; K538-E782 IonicContact NZ-OE2 3.37Å; K538-E782 PolarHBondContact NZ-OE2 3.32Å; K538-E782 VanDerWaalsContact NZ-OE2 3.12Å; R542-E782 IonicContact CZ-OE1 3.68Å; R542-E782 IonicContact CZ-OE2 3.23Å; R542-E782 VanDerWaalsContact CZ-OE2 3.28Å; R542-E782 IonicContact NH1-OE1 3.19Å; R542-E782 PolarHBondContact NH1-OE1 3.31Å; R542-E782 IonicContact NH1-OE2 3.19Å; R542-E782 PolarHBondContact NH1-OE2 3.14Å; R542-E782 IonicContact NH2-OE1 3.02Å; R542-E782 PolarHBondContact NH2-OE1 3.25Å; R542-E782 IonicContact NH2-OE2 3.01Å; R542-E782 PolarHBondContact NH2-OE2 3.06Å; R542-E782 VanDerWaalsContact NH2-OE2 3.17Å; E778-E782 WeakPolarHBondContact O-CA 3.41Å; E778-E782 WeakPolarHBondContact O-CB 3.48Å; E778-E782 WeakPolarHBondContact O-CG 3.22Å; E778-E782 PolarHBondContact O-N 2.9Å; K780-E782 PolarHBondContact O-N 2.87Å; E782-T786 VanDerWaalsContact O-CB 3.31Å; E782-T786 WeakPolarHBondContact O-CB 3.36Å; E782-T786 PolarHBondContact O-N 3Å; E782-T786 PolarHBondContact O-OG1 3.15Å
783	I	83.7	Confident	83	Confident	48 Å²	48	63.5 Å²	63.5	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-48.9	178.4	-68.3	169.6	0	0	0	108.7	F535 T779 K780 Q785 T786 L787	F535-I783 HydrophobicContact CE1-CG1 4.39Å; F535-I783 HydrophobicContact CZ-CG2 4.19Å; T779-I783 WeakPolarHBondContact O-CG1 3.31Å; T779-I783 PolarHBondContact O-N 2.88Å; K780-I783 PolarHBondContact O-N 3.41Å; K780-I783 VanDerWaalsContact O-N 3.1Å; I783-Q785 PolarHBondContact O-N 3.24Å; I783-T786 PolarHBondContact O-N 3.38Å; I783-T786 VanDerWaalsContact O-N 3.14Å; I783-L787 HydrophobicContact CG2-CD1 4.14Å; I783-L787 WeakPolarHBondContact O-CG 3.3Å; I783-L787 PolarHBondContact O-N 3.36Å
784	E	84.5	Confident	83.3	Confident	114 Å²	114	61.1 Å²	61.1	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-45.2	179.2	-68.4	174.5	-171.1	0	0	111.9	K780 Q781 T786 L787 G788	K780-E784 VanDerWaalsContact CE-OE1 3.28Å; K780-E784 WeakPolarHBondContact CE-OE1 3.48Å; K780-E784 PolarHBondContact O-N 3.27Å; Q781-E784 PolarHBondContact O-N 3.26Å; E784-T786 VanDerWaalsContact C-N 3.34Å; E784-T786 PolarHBondContact O-N 3.39Å; E784-L787 PolarHBondContact O-N 3.11Å; E784-G788 PolarHBondContact O-N 3.33Å
785	Q	87.1	Confident	83.9	Confident	93 Å²	93	61.5 Å²	61.5	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-41.4	174	-76.3	174.5	1.2	0	0	112	Q781 I783 L787 G788 N789	Q781-Q785 HydrophobicContact CG-CG 4.36Å; Q781-Q785 VanDerWaalsContact O-CB 3.28Å; Q781-Q785 WeakPolarHBondContact O-CB 3.34Å; Q781-Q785 WeakPolarHBondContact O-CG 3.28Å; Q781-Q785 PolarHBondContact O-N 3.46Å; I783-Q785 PolarHBondContact O-N 3.24Å; Q785-L787 VanDerWaalsContact C-N 3.34Å; Q785-L787 PolarHBondContact O-N 2.84Å; Q785-G788 PolarHBondContact O-N 3.34Å; Q785-N789 WeakPolarHBondContact O-CB 3.36Å; Q785-N789 PolarHBondContact O-N 3.49Å; Q785-N789 PolarHBondContact O-ND2 3.24Å
786	T	88.1	Confident	84.5	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-44.5	179	-55.8	0	0	0	0	110.2	K534 F535 K538 E782 I783 E784 N789 V790	K534-T786 HydrophobicContact CB-CG2 4.06Å; K534-T786 HydrophobicContact CG-CG2 3.63Å; F535-T786 HydrophobicContact CD1-CG2 3.94Å; F535-T786 HydrophobicContact CD2-CG2 4.23Å; F535-T786 HydrophobicContact CE1-CG2 3.83Å; F535-T786 HydrophobicContact CE2-CG2 4.13Å; F535-T786 HydrophobicContact CG-CG2 4.12Å; F535-T786 HydrophobicContact CZ-CG2 3.93Å; K538-T786 PolarHBondContact NZ-OG1 3.4Å; E782-T786 VanDerWaalsContact O-CB 3.31Å; E782-T786 WeakPolarHBondContact O-CB 3.36Å; E782-T786 PolarHBondContact O-N 3Å; E782-T786 PolarHBondContact O-OG1 3.15Å; I783-T786 PolarHBondContact O-N 3.38Å; I783-T786 VanDerWaalsContact O-N 3.14Å; E784-T786 VanDerWaalsContact C-N 3.34Å; E784-T786 PolarHBondContact O-N 3.39Å; T786-N789 PolarHBondContact O-N 2.9Å; T786-V790 WeakPolarHBondContact O-CG2 3.46Å; T786-V790 PolarHBondContact O-N 3.46Å
787	L	88.6	Confident	85.4	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-42.6	176	-66.9	176.5	0	0	0	112.4	R486 V531 F535 I783 E784 Q785 N789 V790 E791	R486-L787 HydrophobicContact CB-CD2 4.17Å; V531-L787 HydrophobicContact CG1-CD2 4.32Å; F535-L787 HydrophobicContact CE2-CD2 3.98Å; F535-L787 HydrophobicContact CZ-CD2 4.25Å; F535-L787 HydrophobicContact CZ-CG 4.35Å; I783-L787 HydrophobicContact CG2-CD1 4.14Å; I783-L787 WeakPolarHBondContact O-CG 3.3Å; I783-L787 PolarHBondContact O-N 3.36Å; E784-L787 PolarHBondContact O-N 3.11Å; Q785-L787 VanDerWaalsContact C-N 3.34Å; Q785-L787 PolarHBondContact O-N 2.84Å; L787-N789 VanDerWaalsContact C-N 3.3Å; L787-N789 PolarHBondContact O-N 2.89Å; L787-V790 WeakPolarHBondContact O-CB 3.46Å; L787-V790 PolarHBondContact O-N 3.21Å; L787-E791 PolarHBondContact O-N 3.14Å
788	G	89	Confident	86.7	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-35.9	175.7	0	0	0	0	0	113	E784 Q785 E791 S792	E784-G788 PolarHBondContact O-N 3.33Å; Q785-G788 PolarHBondContact O-N 3.34Å; G788-E791 PolarHBondContact O-N 3.45Å; G788-S792 PolarHBondContact O-N 3.47Å; G788-S792 PolarHBondContact O-OG 3.26Å
789	N	89.4	Confident	87.9	Confident	61 Å²	61	58.6 Å²	58.6	33%	0.326	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-41.7	173.4	-72.7	-21.1	0	0	0	111.6	Q785 T786 L787 E791 S792 D793	Q785-N789 WeakPolarHBondContact O-CB 3.36Å; Q785-N789 PolarHBondContact O-N 3.49Å; Q785-N789 PolarHBondContact O-ND2 3.24Å; T786-N789 PolarHBondContact O-N 2.9Å; L787-N789 VanDerWaalsContact C-N 3.3Å; L787-N789 PolarHBondContact O-N 2.89Å; N789-E791 VanDerWaalsContact C-N 3.32Å; N789-E791 PolarHBondContact O-N 3.48Å; N789-S792 PolarHBondContact O-N 3.35Å; N789-D793 WeakPolarHBondContact O-CB 3.27Å; N789-D793 VanDerWaalsContact O-CG 3.22Å; N789-D793 PolarHBondContact O-N 3.28Å
790	V	91.5	Very high	88.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-45.3	174.1	171.9	0	0	0	0	110.6	D530 V531 K534 T786 L787 S792 D793 R794	D530-V790 WeakPolarHBondContact OD2-CG1 3.49Å; V531-V790 HydrophobicContact CG2-CG1 4Å; K534-V790 HydrophobicContact CB-CG2 3.65Å; K534-V790 HydrophobicContact CG-CG2 3.9Å; T786-V790 WeakPolarHBondContact O-CG2 3.46Å; T786-V790 PolarHBondContact O-N 3.46Å; L787-V790 WeakPolarHBondContact O-CB 3.46Å; L787-V790 PolarHBondContact O-N 3.21Å; V790-S792 VanDerWaalsContact C-N 3.32Å; V790-S792 PolarHBondContact O-N 2.82Å; V790-D793 PolarHBondContact O-N 2.9Å; V790-R794 HydrophobicContact CG1-CG 4.34Å; V790-R794 WeakPolarHBondContact O-CB 3.39Å; V790-R794 VanDerWaalsContact O-CG 3.31Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 2.97Å
791	E	90.3	Very high	89.9	Confident	83 Å²	83	51 Å²	51	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-37.2	179.2	-70	-176.2	178.2	0	0	113.2	R486 L787 G788 N789 K795	R486-E791 IonicContact CZ-OE1 2.74Å; R486-E791 VanDerWaalsContact CZ-OE1 3.3Å; R486-E791 IonicContact NH1-OE1 3.75Å; R486-E791 PolarHBondContact NH1-OE1 2.98Å; R486-E791 IonicContact NH2-OE1 2.66Å; R486-E791 PolarHBondContact NH2-OE1 3.34Å; L787-E791 PolarHBondContact O-N 3.14Å; G788-E791 PolarHBondContact O-N 3.45Å; N789-E791 VanDerWaalsContact C-N 3.32Å; N789-E791 PolarHBondContact O-N 3.48Å; E791-K795 WeakPolarHBondContact O-CG 3.38Å; E791-K795 PolarHBondContact O-N 3.48Å
792	S	91.2	Very high	90.8	Very high	57 Å²	57	46 Å²	46	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-67.7	-44.7	175.6	-58.6	0	0	0	0	111.2	G788 N789 V790 R794 K795 L796	G788-S792 PolarHBondContact O-N 3.47Å; G788-S792 PolarHBondContact O-OG 3.26Å; N789-S792 PolarHBondContact O-N 3.35Å; V790-S792 VanDerWaalsContact C-N 3.32Å; V790-S792 PolarHBondContact O-N 2.82Å; S792-R794 PolarHBondContact O-N 3.4Å; S792-K795 PolarHBondContact O-N 3.47Å; S792-L796 PolarHBondContact O-N 3.45Å
793	D	91.3	Very high	91.6	Very high	53 Å²	53	46 Å²	46	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-43	176.6	-71.7	-17.5	0	0	0	110.9	K534 N789 V790 K795 L796 I797	K534-D793 IonicContact NZ-OD2 2.87Å; K534-D793 PolarHBondContact NZ-OD2 2.67Å; N789-D793 WeakPolarHBondContact O-CB 3.27Å; N789-D793 VanDerWaalsContact O-CG 3.22Å; N789-D793 PolarHBondContact O-N 3.28Å; V790-D793 PolarHBondContact O-N 2.9Å; D793-K795 VanDerWaalsContact C-N 3.34Å; D793-K795 PolarHBondContact O-N 3.3Å; D793-L796 PolarHBondContact O-N 3.42Å; D793-I797 WeakPolarHBondContact O-CB 3.35Å; D793-I797 VanDerWaalsContact O-CG1 3.28Å; D793-I797 WeakPolarHBondContact O-CG1 3.5Å; D793-I797 PolarHBondContact O-N 2.99Å
794	R	93.5	Very high	92.1	Very high	21 Å²	21	50 Å²	50	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-43.8	175.4	-76.1	-178.3	-177.9	-164.5	-2.4	112.1	D528 D530 V790 S792 L796 I797 V798 F829 L835	D528-R794 IonicContact OD1-CZ 2.78Å; D528-R794 IonicContact OD1-NH1 3.73Å; D528-R794 PolarHBondContact OD1-NH1 3.19Å; D528-R794 IonicContact OD1-NH2 2.8Å; D528-R794 PolarHBondContact OD1-NH2 2.93Å; D528-R794 IonicContact OD2-NH1 3.72Å; D528-R794 IonicContact OD2-NH2 3.05Å; D528-R794 PolarHBondContact OD2-NH2 2.77Å; D530-R794 IonicContact OD1-CZ 3.35Å; D530-R794 IonicContact OD1-NE 3.78Å; D530-R794 IonicContact OD1-NH2 2.8Å; D530-R794 PolarHBondContact OD1-NH2 3.39Å; D530-R794 WeakPolarHBondContact OD2-CG 3.31Å; D530-R794 IonicContact OD2-CZ 3.43Å; D530-R794 IonicContact OD2-NE 3.35Å; D530-R794 PolarHBondContact OD2-NE 3.34Å; D530-R794 IonicContact OD2-NH2 3.28Å; D530-R794 PolarHBondContact OD2-NH2 3.09Å; V790-R794 HydrophobicContact CG1-CG 4.34Å; V790-R794 WeakPolarHBondContact O-CB 3.39Å; V790-R794 VanDerWaalsContact O-CG 3.31Å; V790-R794 WeakPolarHBondContact O-CG 3.4Å; V790-R794 PolarHBondContact O-N 2.97Å; S792-R794 PolarHBondContact O-N 3.4Å; R794-L796 PolarHBondContact O-N 3.19Å; R794-I797 PolarHBondContact O-N 2.9Å; R794-V798 WeakPolarHBondContact O-CB 3.39Å; R794-V798 WeakPolarHBondContact O-CG2 3.12Å; R794-V798 PolarHBondContact O-N 2.91Å; R794-F829 HydrophobicContact CB-CE2 4.3Å; R794-F829 HydrophobicContact CB-CZ 4.05Å; R794-F829 HydrophobicContact CG-CD1 4.27Å; R794-F829 HydrophobicContact CG-CD2 4.21Å; R794-F829 HydrophobicContact CG-CE1 3.95Å; R794-F829 HydrophobicContact CG-CE2 3.88Å; R794-F829 HydrophobicContact CG-CG 4.41Å; R794-F829 HydrophobicContact CG-CZ 3.74Å; R794-L835 HydrophobicContact CB-CD2 4.16Å
795	K	94.1	Very high	92.7	Very high	104 Å²	104	45 Å²	45	45%	0.452	24%	0.236	S	C	.	.	H	α-helix	trans	-59.4	-47.4	176.9	-70.5	168.6	-172.1	171.2	0	111	E791 S792 D793 V798 Q799 L835	E791-K795 WeakPolarHBondContact O-CG 3.38Å; E791-K795 PolarHBondContact O-N 3.48Å; S792-K795 PolarHBondContact O-N 3.47Å; D793-K795 VanDerWaalsContact C-N 3.34Å; D793-K795 PolarHBondContact O-N 3.3Å; K795-V798 PolarHBondContact O-N 2.84Å; K795-Q799 WeakPolarHBondContact O-CB 3.47Å; K795-Q799 VanDerWaalsContact O-CG 3.24Å; K795-Q799 WeakPolarHBondContact O-CG 3.48Å; K795-Q799 PolarHBondContact O-N 3.09Å; K795-L835 HydrophobicContact CG-CD1 3.9Å
796	L	93.4	Very high	93.1	Very high	104 Å²	104	40.6 Å²	40.6	55%	0.545	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-43.8	179.8	-66.3	174.8	0	0	0	112	S792 D793 R794 Q799 A800	S792-L796 PolarHBondContact O-N 3.45Å; D793-L796 PolarHBondContact O-N 3.42Å; R794-L796 PolarHBondContact O-N 3.19Å; L796-Q799 PolarHBondContact O-N 2.96Å; L796-A800 WeakPolarHBondContact O-CB 3.45Å; L796-A800 PolarHBondContact O-N 2.8Å
797	I	93	Very high	93.4	Very high	57 Å²	57	46.1 Å²	46.1	29%	0.292	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-44.5	178.7	-69.3	167.2	0	0	0	111	D793 R794 A800 C801 L825 F829	D793-I797 WeakPolarHBondContact O-CB 3.35Å; D793-I797 VanDerWaalsContact O-CG1 3.28Å; D793-I797 WeakPolarHBondContact O-CG1 3.5Å; D793-I797 PolarHBondContact O-N 2.99Å; R794-I797 PolarHBondContact O-N 2.9Å; I797-A800 PolarHBondContact O-N 3.04Å; I797-C801 VanDerWaalsContact O-CB 3.31Å; I797-C801 WeakPolarHBondContact O-CB 3.37Å; I797-C801 PolarHBondContact O-N 2.96Å; I797-L825 HydrophobicContact CG2-CD2 3.64Å; I797-F829 HydrophobicContact CG2-CE1 4.37Å
798	V	96	Very high	93.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-45.1	177.1	172.8	0	0	0	0	110.4	R794 K795 A800 C801 I802 V821 L825 F829 L835 I836 C839	R794-V798 WeakPolarHBondContact O-CB 3.39Å; R794-V798 WeakPolarHBondContact O-CG2 3.12Å; R794-V798 PolarHBondContact O-N 2.91Å; K795-V798 PolarHBondContact O-N 2.84Å; V798-A800 PolarHBondContact O-N 2.86Å; V798-C801 PolarHBondContact O-N 2.84Å; V798-I802 HydrophobicContact CG1-CD1 3.75Å; V798-I802 HydrophobicContact CG1-CG1 4.4Å; V798-I802 VanDerWaalsContact O-CG1 3.29Å; V798-I802 WeakPolarHBondContact O-CG1 3.5Å; V798-I802 PolarHBondContact O-N 3.35Å; V798-V821 HydrophobicContact CG1-CG1 4.4Å; V798-L825 HydrophobicContact CB-CD1 4.34Å; V798-L825 HydrophobicContact CG2-CD1 3.6Å; V798-F829 HydrophobicContact CG2-CE2 4.4Å; V798-F829 HydrophobicContact CG2-CZ 4Å; V798-L835 HydrophobicContact CG2-CD2 4.09Å; V798-L835 HydrophobicContact CG2-CG 4.42Å; V798-I836 HydrophobicContact CG1-CG1 4.31Å; V798-C839 HydrophobicContact CB-CB 4.44Å; V798-C839 HydrophobicContact CG1-CB 3.69Å
799	Q	96	Very high	93.9	Very high	25 Å²	25	55.9 Å²	55.9	12%	0.117	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-48.2	175.7	-75.3	177.4	-1.4	0	0	111.7	K795 L796 C801 I802 V803 C839 L843	K795-Q799 WeakPolarHBondContact O-CB 3.47Å; K795-Q799 VanDerWaalsContact O-CG 3.24Å; K795-Q799 WeakPolarHBondContact O-CG 3.48Å; K795-Q799 PolarHBondContact O-N 3.09Å; L796-Q799 PolarHBondContact O-N 2.96Å; Q799-C801 VanDerWaalsContact C-N 3.32Å; Q799-C801 PolarHBondContact O-N 3.47Å; Q799-I802 PolarHBondContact O-N 2.94Å; Q799-V803 WeakPolarHBondContact O-CG2 3.48Å; Q799-V803 PolarHBondContact O-N 2.88Å; Q799-C839 HydrophobicContact CG-CB 3.89Å; Q799-L843 HydrophobicContact CB-CD1 4.34Å; Q799-L843 HydrophobicContact CB-CD2 4.22Å; Q799-L843 HydrophobicContact CB-CG 4.43Å; Q799-L843 HydrophobicContact CG-CD1 4.34Å; Q799-L843 HydrophobicContact CG-CD2 4.28Å; Q799-L843 HydrophobicContact CG-CG 4.14Å
800	A	94.5	Very high	94.1	Very high	55 Å²	55	58.4 Å²	58.4	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-37.8	177.9	0	0	0	0	0	112.5	L796 I797 V798 R804	L796-A800 WeakPolarHBondContact O-CB 3.45Å; L796-A800 PolarHBondContact O-N 2.8Å; I797-A800 PolarHBondContact O-N 3.04Å; V798-A800 PolarHBondContact O-N 2.86Å; A800-R804 WeakPolarHBondContact O-CB 3.35Å; A800-R804 PolarHBondContact O-N 3.21Å
801	C	95.1	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-49.5	175.1	-172	0	0	0	0	111.4	I797 V798 Q799 V803 R804 I805 L825	I797-C801 VanDerWaalsContact O-CB 3.31Å; I797-C801 WeakPolarHBondContact O-CB 3.37Å; I797-C801 PolarHBondContact O-N 2.96Å; V798-C801 PolarHBondContact O-N 2.84Å; Q799-C801 VanDerWaalsContact C-N 3.32Å; Q799-C801 PolarHBondContact O-N 3.47Å; C801-V803 PolarHBondContact O-N 3.41Å; C801-R804 WeakPolarHBondContact O-CB 3.32Å; C801-R804 PolarHBondContact O-N 3.01Å; C801-I805 WeakPolarHBondContact O-CG1 3.48Å; C801-I805 PolarHBondContact O-N 2.67Å; C801-L825 HydrophobicContact CB-CD1 4.28Å; C801-L825 HydrophobicContact CB-CD2 4.17Å; C801-L825 HydrophobicContact CB-CG 4.39Å
802	I	96.7	Very high	94.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-49.7	176.8	-68	161.8	0	0	0	110.5	V798 Q799 R804 I805 M806 L817 V821 I836 C839 I840 L843 I849	V798-I802 HydrophobicContact CG1-CD1 3.75Å; V798-I802 HydrophobicContact CG1-CG1 4.4Å; V798-I802 VanDerWaalsContact O-CG1 3.29Å; V798-I802 WeakPolarHBondContact O-CG1 3.5Å; V798-I802 PolarHBondContact O-N 3.35Å; Q799-I802 PolarHBondContact O-N 2.94Å; I802-R804 VanDerWaalsContact C-N 3.31Å; I802-R804 PolarHBondContact O-N 2.84Å; I802-I805 PolarHBondContact O-N 2.67Å; I802-M806 HydrophobicContact CG2-CG 4.14Å; I802-M806 WeakPolarHBondContact O-CB 3.35Å; I802-M806 VanDerWaalsContact O-CG 3.31Å; I802-M806 WeakPolarHBondContact O-CG 3.38Å; I802-M806 PolarHBondContact O-N 3.46Å; I802-L817 HydrophobicContact CG2-CD1 4.41Å; I802-L817 HydrophobicContact CG2-CD2 4.22Å; I802-V821 HydrophobicContact CG1-CG2 3.75Å; I802-I836 HydrophobicContact CD1-CG2 4.38Å; I802-C839 HydrophobicContact CD1-CB 3.82Å; I802-I840 HydrophobicContact CD1-CG1 3.9Å; I802-L843 HydrophobicContact CB-CD1 3.71Å; I802-L843 HydrophobicContact CD1-CD1 4.11Å; I802-L843 HydrophobicContact CG2-CD1 3.51Å; I802-I849 HydrophobicContact CG2-CD1 4.42Å
803	V	96.2	Very high	94.6	Very high	27 Å²	27	59.5 Å²	59.5	16%	0.164	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-42.6	179.6	169.9	0	0	0	0	111.2	Q799 C801 M806 K807 L843 Y848 Y861	Q799-V803 WeakPolarHBondContact O-CG2 3.48Å; Q799-V803 PolarHBondContact O-N 2.88Å; C801-V803 PolarHBondContact O-N 3.41Å; V803-M806 PolarHBondContact O-N 3.28Å; V803-K807 WeakPolarHBondContact O-CB 3.47Å; V803-K807 PolarHBondContact O-N 3.13Å; V803-L843 HydrophobicContact CG2-CD1 4.01Å; V803-L843 HydrophobicContact CG2-CD2 3.74Å; V803-Y848 HydrophobicContact CG1-CD1 4.29Å; V803-Y848 HydrophobicContact CG2-CD1 3.93Å; V803-Y848 HydrophobicContact CG2-CG 4.31Å; V803-Y861 HydrophobicContact CG1-CE2 4.1Å
804	R	95.5	Very high	94.7	Very high	134 Å²	134	59.2 Å²	59.2	51%	0.506	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-45.3	177.9	-167.8	-163.9	-34.7	-178.1	7.6	112.5	A800 C801 I802 T808	A800-R804 WeakPolarHBondContact O-CB 3.35Å; A800-R804 PolarHBondContact O-N 3.21Å; C801-R804 WeakPolarHBondContact O-CB 3.32Å; C801-R804 PolarHBondContact O-N 3.01Å; I802-R804 VanDerWaalsContact C-N 3.31Å; I802-R804 PolarHBondContact O-N 2.84Å; R804-T808 PolarHBondContact O-N 3.05Å; R804-T808 PolarHBondContact O-OG1 2.92Å
805	I	96.3	Very high	94.8	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-50.9	177.8	-68.5	163.1	0	0	0	109.6	C801 I802 K807 T808 R809 M812 L817 E820 V821	C801-I805 WeakPolarHBondContact O-CG1 3.48Å; C801-I805 PolarHBondContact O-N 2.67Å; I802-I805 PolarHBondContact O-N 2.67Å; I805-K807 PolarHBondContact O-N 2.98Å; I805-T808 PolarHBondContact O-N 3.19Å; I805-T808 VanDerWaalsContact O-N 3.13Å; I805-R809 HydrophobicContact CG2-CG 4.23Å; I805-R809 WeakPolarHBondContact O-CG 3.43Å; I805-R809 PolarHBondContact O-N 3.38Å; I805-M812 HydrophobicContact CG2-CE 4.3Å; I805-M812 HydrophobicContact CG2-SD 3.65Å; I805-L817 HydrophobicContact CB-CD1 4.27Å; I805-L817 HydrophobicContact CD1-CD1 4.49Å; I805-L817 HydrophobicContact CG2-CD1 3.83Å; I805-E820 HydrophobicContact CD1-CB 4.19Å; I805-E820 HydrophobicContact CD1-CG 3.69Å; I805-E820 HydrophobicContact CG1-CG 4.08Å; I805-E820 HydrophobicContact CG2-CG 4.23Å; I805-V821 HydrophobicContact CD1-CB 4.5Å; I805-V821 HydrophobicContact CD1-CG2 3.61Å
806	M	95.5	Very high	94.8	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-37.5	-178.1	-71.7	-56.5	-56	0	0	112.5	I802 V803 T808 R809 K810 M812 L817 I849 Y859 Y861	I802-M806 HydrophobicContact CG2-CG 4.14Å; I802-M806 WeakPolarHBondContact O-CB 3.35Å; I802-M806 VanDerWaalsContact O-CG 3.31Å; I802-M806 WeakPolarHBondContact O-CG 3.38Å; I802-M806 PolarHBondContact O-N 3.46Å; V803-M806 PolarHBondContact O-N 3.28Å; M806-T808 PolarHBondContact O-N 3.23Å; M806-R809 PolarHBondContact O-N 3.21Å; M806-K810 VanDerWaalsContact O-CA 3.26Å; M806-K810 WeakPolarHBondContact O-CA 3.49Å; M806-K810 PolarHBondContact O-N 3.09Å; M806-M812 HydrophobicContact CE-CB 4.5Å; M806-M812 HydrophobicContact SD-CB 3.82Å; M806-L817 HydrophobicContact CG-CD1 4.24Å; M806-L817 HydrophobicContact CG-CD2 4.46Å; M806-L817 HydrophobicContact SD-CD1 4.14Å; M806-L817 HydrophobicContact SD-CD2 4.18Å; M806-I849 HydrophobicContact CB-CG2 4.03Å; M806-I849 HydrophobicContact CE-CG2 4.42Å; M806-I849 HydrophobicContact CG-CG2 3.98Å; M806-Y859 VanDerWaalsContact CE-O 3.23Å; M806-Y859 WeakPolarHBondContact CE-O 3.4Å; M806-Y861 HydrophobicContact CB-CD2 3.92Å; M806-Y861 HydrophobicContact CB-CG 4.26Å; M806-Y861 WeakPolarHBondContact O-CB 3.41Å
807	K	94.9	Very high	94.9	Very high	123 Å²	123	60.6 Å²	60.6	54%	0.535	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-36.8	173.4	-177.2	169.2	-175.7	172.5	0	113	V803 I805 K810 Y861	V803-K807 WeakPolarHBondContact O-CB 3.47Å; V803-K807 PolarHBondContact O-N 3.13Å; I805-K807 PolarHBondContact O-N 2.98Å; K807-K810 WeakPolarHBondContact O-CE 3.41Å; K807-K810 PolarHBondContact O-NZ 2.97Å; K807-Y861 VanDerWaalsContact CA-CE1 3.48Å; K807-Y861 HydrophobicContact CB-CD1 4.14Å; K807-Y861 HydrophobicContact CB-CE1 3.56Å; K807-Y861 HydrophobicContact CB-CE2 4.31Å; K807-Y861 HydrophobicContact CD-CE1 4.27Å; K807-Y861 HydrophobicContact CG-CD1 4.43Å; K807-Y861 HydrophobicContact CG-CE1 3.61Å
808	T	94.6	Very high	95	Very high	109 Å²	109	58.8 Å²	58.8	67%	0.669	28%	0.282	S	S	*	.	H	α-helix	trans	-82.1	-44.3	-178.5	-50.8	0	0	0	0	111.9	R804 I805 M806	R804-T808 PolarHBondContact O-N 3.05Å; R804-T808 PolarHBondContact O-OG1 2.92Å; I805-T808 PolarHBondContact O-N 3.19Å; I805-T808 VanDerWaalsContact O-N 3.13Å; M806-T808 PolarHBondContact O-N 3.23Å
809	R	93.8	Very high	95	Very high	150 Å²	150	61.8 Å²	61.8	57%	0.566	30%	0.303	S	S	*	.	H	α-helix	trans	-84.5	-22.1	-175.3	-63	-66.2	-172.8	167.2	2	113.7	I805 M806 V811 M812	I805-R809 HydrophobicContact CG2-CG 4.23Å; I805-R809 WeakPolarHBondContact O-CG 3.43Å; I805-R809 PolarHBondContact O-N 3.38Å; M806-R809 PolarHBondContact O-N 3.21Å; R809-V811 PolarHBondContact O-N 3.48Å; R809-M812 HydrophobicContact CG-CE 3.89Å; R809-M812 HydrophobicContact CG-SD 4.32Å
810	K	92.7	Very high	95	Very high	114 Å²	114	63.4 Å²	63.4	50%	0.496	31%	0.311	S	S	.	.	S	Bend	trans	63.7	-52.5	-172.8	-56.3	-59.9	-173.5	-179.9	0	114.2	M806 K807 E860 Y861	M806-K810 VanDerWaalsContact O-CA 3.26Å; M806-K810 WeakPolarHBondContact O-CA 3.49Å; M806-K810 PolarHBondContact O-N 3.09Å; K807-K810 WeakPolarHBondContact O-CE 3.41Å; K807-K810 PolarHBondContact O-NZ 2.97Å; K810-E860 CarbonylContact O-C 3.59Å; K810-E860 WeakPolarHBondContact O-CA 3.5Å; K810-Y861 PolarHBondContact O-N 3.07Å
811	V	93.3	Very high	95.1	Very high	75 Å²	75	60.8 Å²	60.8	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.1	175.5	-177.8	0	0	0	0	109.6	R809 A858 Y859 E860	R809-V811 PolarHBondContact O-N 3.48Å; V811-A858 HydrophobicContact CG1-CB 4.32Å; V811-Y859 VanDerWaalsContact CA-O 3.25Å; V811-Y859 WeakPolarHBondContact CA-O 3.37Å; V811-E860 HydrophobicContact CG2-CB 4.37Å; V811-E860 HydrophobicContact CG2-CG 4.13Å
812	M	94.2	Very high	95	Very high	16 Å²	16	62.8 Å²	62.8	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	140.1	178.9	-165.8	172	-127.2	0	0	111.9	I805 M806 R809 Q816 L817 Y859	I805-M812 HydrophobicContact CG2-CE 4.3Å; I805-M812 HydrophobicContact CG2-SD 3.65Å; M806-M812 HydrophobicContact CE-CB 4.5Å; M806-M812 HydrophobicContact SD-CB 3.82Å; R809-M812 HydrophobicContact CG-CE 3.89Å; R809-M812 HydrophobicContact CG-SD 4.32Å; M812-Q816 HydrophobicContact CE-CB 4.25Å; M812-Q816 HydrophobicContact CG-CB 3.91Å; M812-Q816 HydrophobicContact SD-CB 4.43Å; M812-L817 HydrophobicContact CG-CB 4.23Å; M812-L817 HydrophobicContact SD-CB 3.98Å; M812-L817 HydrophobicContact SD-CD1 4.11Å; M812-Y859 PolarHBondContact N-O 2.96Å; M812-Y859 PolarHBondContact O-N 2.91Å
813	K	95.4	Very high	94.9	Very high	74 Å²	74	67 Å²	67	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	149.5	175.3	-62.5	-166	179.7	-131.7	0	111.5	H815 Q816 L817 E855 D857 A858	K813-H815 PolarHBondContact O-N 3.44Å; K813-Q816 HydrophobicContact CB-CG 4.41Å; K813-Q816 WeakPolarHBondContact O-CB 3.43Å; K813-Q816 PolarHBondContact O-N 3.5Å; K813-Q816 VanDerWaalsContact O-N 3.12Å; K813-L817 PolarHBondContact O-N 3.29Å; K813-E855 WeakPolarHBondContact CE-OE2 3.34Å; K813-E855 IonicContact NZ-OE1 3.12Å; K813-E855 PolarHBondContact NZ-OE1 3.47Å; K813-E855 IonicContact NZ-OE2 3.46Å; K813-E855 PolarHBondContact NZ-OE2 3.12Å; K813-D857 CarbonylContact C-O 3.57Å; K813-D857 WeakPolarHBondContact CA-O 3.43Å; K813-D857 IonicContact NZ-OD2 3.6Å; K813-A858 HydrophobicContact CG-CB 4.5Å
814	H	94.4	Very high	94.7	Very high	47 Å²	47	69.2 Å²	69.2	22%	0.218	34%	0.335	C	S	.	.	H	α-helix	trans	-54.8	-47.2	-175.2	178.8	80.7	0	0	0	112.9	L817 I818 D857 Y859	H814-L817 PolarHBondContact O-N 3.21Å; H814-I818 WeakPolarHBondContact NE2-CD1 3.33Å; H814-I818 WeakPolarHBondContact O-CG1 3.37Å; H814-I818 PolarHBondContact O-N 3.46Å; H814-D857 WeakPolarHBondContact CB-O 3.47Å; H814-D857 PolarHBondContact N-O 2.99Å; H814-Y859 HydrophobicContact CB-CE2 3.8Å; H814-Y859 AromaticContact ND1-CE2 3.39Å; H814-Y859 WeakPolarHBondContact ND1-CE2 3.35Å; H814-Y859 AromaticContact ND1-CZ 3.53Å; H814-Y859 PolarHBondContact ND1-OH 2.78Å
815	H	94.4	Very high	94.6	Very high	151 Å²	151	63.2 Å²	63.2	70%	0.699	31%	0.313	S	S	*	.	H	α-helix	trans	-64.5	-41.5	179.9	-175.3	70.5	0	0	0	112	K813 I818 S819	K813-H815 PolarHBondContact O-N 3.44Å; H815-I818 PolarHBondContact O-N 3.17Å; H815-S819 WeakPolarHBondContact O-CB 3.35Å; H815-S819 PolarHBondContact O-N 3.37Å
816	Q	95.2	Very high	94.2	Very high	107 Å²	107	66.2 Å²	66.2	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-43.2	177.4	-66.8	176.4	-17.7	0	0	111.4	M812 K813 S819 E820	M812-Q816 HydrophobicContact CE-CB 4.25Å; M812-Q816 HydrophobicContact CG-CB 3.91Å; M812-Q816 HydrophobicContact SD-CB 4.43Å; K813-Q816 HydrophobicContact CB-CG 4.41Å; K813-Q816 WeakPolarHBondContact O-CB 3.43Å; K813-Q816 PolarHBondContact O-N 3.5Å; K813-Q816 VanDerWaalsContact O-N 3.12Å; Q816-S819 PolarHBondContact O-N 3.3Å; Q816-E820 WeakPolarHBondContact O-CB 3.19Å; Q816-E820 PolarHBondContact O-N 3.22Å
817	L	95.2	Very high	93.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-45.7	176.9	178.7	61.1	0	0	0	111.5	I802 I805 M806 M812 K813 H814 E820 V821 I840 Y859	I802-L817 HydrophobicContact CG2-CD1 4.41Å; I802-L817 HydrophobicContact CG2-CD2 4.22Å; I805-L817 HydrophobicContact CB-CD1 4.27Å; I805-L817 HydrophobicContact CD1-CD1 4.49Å; I805-L817 HydrophobicContact CG2-CD1 3.83Å; M806-L817 HydrophobicContact CG-CD1 4.24Å; M806-L817 HydrophobicContact CG-CD2 4.46Å; M806-L817 HydrophobicContact SD-CD1 4.14Å; M806-L817 HydrophobicContact SD-CD2 4.18Å; M812-L817 HydrophobicContact CG-CB 4.23Å; M812-L817 HydrophobicContact SD-CB 3.98Å; M812-L817 HydrophobicContact SD-CD1 4.11Å; K813-L817 PolarHBondContact O-N 3.29Å; H814-L817 PolarHBondContact O-N 3.21Å; L817-E820 PolarHBondContact O-N 3.28Å; L817-V821 HydrophobicContact CD1-CG2 4.04Å; L817-V821 HydrophobicContact CG-CG2 4.45Å; L817-V821 WeakPolarHBondContact O-CB 3.3Å; L817-V821 WeakPolarHBondContact O-CG2 3.45Å; L817-V821 PolarHBondContact O-N 3.15Å; L817-I840 HydrophobicContact CD2-CD1 3.97Å; L817-I840 HydrophobicContact CD2-CG1 4.29Å; L817-Y859 HydrophobicContact CD2-CD2 3.77Å; L817-Y859 HydrophobicContact CD2-CE2 4.17Å
818	I	95.6	Very high	93.4	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-49.1	176.4	-71.5	171.4	0	0	0	110.5	H814 H815 E820 V821 V822 V833 I836	H814-I818 WeakPolarHBondContact NE2-CD1 3.33Å; H814-I818 WeakPolarHBondContact O-CG1 3.37Å; H814-I818 PolarHBondContact O-N 3.46Å; H815-I818 PolarHBondContact O-N 3.17Å; I818-E820 VanDerWaalsContact C-N 3.32Å; I818-E820 PolarHBondContact O-N 2.95Å; I818-V821 PolarHBondContact O-N 3.18Å; I818-V822 HydrophobicContact CG2-CG2 4.27Å; I818-V822 VanDerWaalsContact O-CG2 3.26Å; I818-V822 WeakPolarHBondContact O-CG2 3.13Å; I818-V822 PolarHBondContact O-N 2.9Å; I818-V833 HydrophobicContact CD1-CG1 4.13Å; I818-V833 HydrophobicContact CG2-CG2 4.35Å; I818-I836 HydrophobicContact CG1-CG2 4.01Å; I818-I836 HydrophobicContact CG2-CD1 4.21Å
819	S	95.6	Very high	93.2	Very high	64 Å²	64	61.2 Å²	61.2	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-58.1	-45.9	-179.6	-170	0	0	0	0	111.4	H815 Q816 V822 T823	H815-S819 WeakPolarHBondContact O-CB 3.35Å; H815-S819 PolarHBondContact O-N 3.37Å; Q816-S819 PolarHBondContact O-N 3.3Å; S819-V822 PolarHBondContact O-N 3.09Å; S819-T823 PolarHBondContact O-N 3.4Å; S819-T823 PolarHBondContact O-OG1 2.88Å
820	E	95.7	Very high	92.9	Very high	59 Å²	59	59.4 Å²	59.4	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-42.6	180	-171.8	65.1	-152.7	0	0	111.9	I805 Q816 L817 I818 V822 T823 Q824	I805-E820 HydrophobicContact CD1-CB 4.19Å; I805-E820 HydrophobicContact CD1-CG 3.69Å; I805-E820 HydrophobicContact CG1-CG 4.08Å; I805-E820 HydrophobicContact CG2-CG 4.23Å; Q816-E820 WeakPolarHBondContact O-CB 3.19Å; Q816-E820 PolarHBondContact O-N 3.22Å; L817-E820 PolarHBondContact O-N 3.28Å; I818-E820 VanDerWaalsContact C-N 3.32Å; I818-E820 PolarHBondContact O-N 2.95Å; E820-V822 PolarHBondContact O-N 2.77Å; E820-T823 PolarHBondContact O-N 3.38Å; E820-Q824 WeakPolarHBondContact O-CG 3.49Å; E820-Q824 PolarHBondContact O-N 3.45Å; E820-Q824 PolarHBondContact OE1-NE2 3.04Å
821	V	96.3	Very high	92.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-42.8	176.4	171	0	0	0	0	111.2	V798 I802 I805 L817 I818 Q824 L825 I836	V798-V821 HydrophobicContact CG1-CG1 4.4Å; I802-V821 HydrophobicContact CG1-CG2 3.75Å; I805-V821 HydrophobicContact CD1-CB 4.5Å; I805-V821 HydrophobicContact CD1-CG2 3.61Å; L817-V821 HydrophobicContact CD1-CG2 4.04Å; L817-V821 HydrophobicContact CG-CG2 4.45Å; L817-V821 WeakPolarHBondContact O-CB 3.3Å; L817-V821 WeakPolarHBondContact O-CG2 3.45Å; L817-V821 PolarHBondContact O-N 3.15Å; I818-V821 PolarHBondContact O-N 3.18Å; V821-Q824 PolarHBondContact O-N 2.77Å; V821-L825 HydrophobicContact CG1-CD1 3.76Å; V821-L825 HydrophobicContact CG1-CG 4.44Å; V821-L825 WeakPolarHBondContact O-CB 3.45Å; V821-L825 WeakPolarHBondContact O-CG 3.48Å; V821-L825 PolarHBondContact O-N 3.49Å; V821-L825 VanDerWaalsContact O-N 3.09Å; V821-I836 HydrophobicContact CB-CD1 4.32Å; V821-I836 HydrophobicContact CG1-CD1 3.85Å; V821-I836 HydrophobicContact CG1-CG1 4Å; V821-I836 HydrophobicContact CG1-CG2 4.41Å
822	V	94.3	Very high	92.6	Very high	42 Å²	42	54.9 Å²	54.9	26%	0.255	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-49.8	175.7	172.1	0	0	0	0	109.8	I818 S819 E820 Q824 L825 T826 P831 I836	I818-V822 HydrophobicContact CG2-CG2 4.27Å; I818-V822 VanDerWaalsContact O-CG2 3.26Å; I818-V822 WeakPolarHBondContact O-CG2 3.13Å; I818-V822 PolarHBondContact O-N 2.9Å; S819-V822 PolarHBondContact O-N 3.09Å; E820-V822 PolarHBondContact O-N 2.77Å; V822-Q824 PolarHBondContact O-N 3.47Å; V822-L825 PolarHBondContact O-N 3.03Å; V822-T826 WeakPolarHBondContact O-CB 3.32Å; V822-T826 PolarHBondContact O-N 3.46Å; V822-T826 PolarHBondContact O-OG1 2.83Å; V822-P831 HydrophobicContact CB-CG 4.43Å; V822-P831 HydrophobicContact CG2-CG 4.09Å; V822-I836 HydrophobicContact CG2-CD1 3.75Å
823	T	94	Very high	92.5	Very high	88 Å²	88	57.4 Å²	57.4	54%	0.54	30%	0.303	S	S	.	.	H	α-helix	trans	-57.1	-45.5	179	-59.2	0	0	0	0	112.2	S819 E820	S819-T823 PolarHBondContact O-N 3.4Å; S819-T823 PolarHBondContact O-OG1 2.88Å; E820-T823 PolarHBondContact O-N 3.38Å
824	Q	92.2	Very high	92.5	Very high	74 Å²	74	58.8 Å²	58.8	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-73.4	-26.3	-177.8	-69.5	-170.7	25.7	0	0	114.1	E820 V821 V822	E820-Q824 WeakPolarHBondContact O-CG 3.49Å; E820-Q824 PolarHBondContact O-N 3.45Å; E820-Q824 PolarHBondContact OE1-NE2 3.04Å; V821-Q824 PolarHBondContact O-N 2.77Å; V822-Q824 PolarHBondContact O-N 3.47Å
825	L	92.2	Very high	92.4	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-99.3	-20.2	-176.4	-64	-178.9	0	0	0	114.5	I797 V798 C801 V821 V822 P827 R828 F829 P831	I797-L825 HydrophobicContact CG2-CD2 3.64Å; V798-L825 HydrophobicContact CB-CD1 4.34Å; V798-L825 HydrophobicContact CG2-CD1 3.6Å; C801-L825 HydrophobicContact CB-CD1 4.28Å; C801-L825 HydrophobicContact CB-CD2 4.17Å; C801-L825 HydrophobicContact CB-CG 4.39Å; V821-L825 HydrophobicContact CG1-CD1 3.76Å; V821-L825 HydrophobicContact CG1-CG 4.44Å; V821-L825 WeakPolarHBondContact O-CB 3.45Å; V821-L825 WeakPolarHBondContact O-CG 3.48Å; V821-L825 PolarHBondContact O-N 3.49Å; V821-L825 VanDerWaalsContact O-N 3.09Å; V822-L825 PolarHBondContact O-N 3.03Å; L825-P827 VanDerWaalsContact C-N 3.26Å; L825-P827 VanDerWaalsContact O-N 3.12Å; L825-R828 PolarHBondContact O-N 3.18Å; L825-F829 CarbonylContact C-O 3.56Å; L825-F829 HydrophobicContact CD1-CZ 4.17Å; L825-F829 PolarHBondContact O-N 3.38Å; L825-F829 VanDerWaalsContact O-N 3.12Å; L825-P831 HydrophobicContact CB-CG 4.12Å; L825-P831 HydrophobicContact CD1-CG 4.47Å
826	T	89	Confident	92.5	Very high	71 Å²	71	50.7 Å²	50.7	44%	0.436	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-38.5	178.7	-66.6	0	0	0	0	114.3	V822 R828 F829	V822-T826 WeakPolarHBondContact O-CB 3.32Å; V822-T826 PolarHBondContact O-N 3.46Å; V822-T826 PolarHBondContact O-OG1 2.83Å; T826-R828 PolarHBondContact O-N 2.96Å; T826-R828 VanDerWaalsContact O-N 3.11Å; T826-F829 WeakPolarHBondContact CA-O 3.44Å
827	P	86.1	Confident	92.5	Very high	81 Å²	81	50.3 Å²	50.3	53%	0.526	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.3	177	-25.7	35.8	0	0	0	114.8	L825	L825-P827 VanDerWaalsContact C-N 3.26Å; L825-P827 VanDerWaalsContact O-N 3.12Å
828	R	87.2	Confident	92.4	Very high	45 Å²	45	58.4 Å²	58.4	17%	0.17	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-45.3	-179.3	-65.1	177.4	174.4	-93.8	8.4	112.7	K529 D530 E569 L825 T826	K529-R828 WeakPolarHBondContact CB-O 3.25Å; K529-R828 PolarHBondContact N-O 3.31Å; K529-R828 VanDerWaalsContact N-O 3.14Å; D530-R828 PolarHBondContact N-O 2.98Å; D530-R828 VanDerWaalsContact N-O 3.17Å; E569-R828 IonicContact OE2-CZ 3.55Å; E569-R828 IonicContact OE2-NH2 3.02Å; E569-R828 PolarHBondContact OE2-NH2 3.24Å; L825-R828 PolarHBondContact O-N 3.18Å; T826-R828 PolarHBondContact O-N 2.96Å; T826-R828 VanDerWaalsContact O-N 3.11Å
829	F	91.1	Very high	92.5	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.3	C	S	.	.			trans	-163.9	164.2	177.2	64.1	-86.5	0	0	0	109.5	E527 D530 R794 I797 V798 L825 T826 P831 L835	E527-F829 WeakPolarHBondContact O-CA 3.42Å; D530-F829 HydrophobicContact CB-CD1 4.46Å; R794-F829 HydrophobicContact CB-CE2 4.3Å; R794-F829 HydrophobicContact CB-CZ 4.05Å; R794-F829 HydrophobicContact CG-CD1 4.27Å; R794-F829 HydrophobicContact CG-CD2 4.21Å; R794-F829 HydrophobicContact CG-CE1 3.95Å; R794-F829 HydrophobicContact CG-CE2 3.88Å; R794-F829 HydrophobicContact CG-CG 4.41Å; R794-F829 HydrophobicContact CG-CZ 3.74Å; I797-F829 HydrophobicContact CG2-CE1 4.37Å; V798-F829 HydrophobicContact CG2-CE2 4.4Å; V798-F829 HydrophobicContact CG2-CZ 4Å; L825-F829 CarbonylContact C-O 3.56Å; L825-F829 HydrophobicContact CD1-CZ 4.17Å; L825-F829 PolarHBondContact O-N 3.38Å; L825-F829 VanDerWaalsContact O-N 3.12Å; T826-F829 WeakPolarHBondContact CA-O 3.44Å; F829-P831 HydrophobicContact CD2-CB 4.34Å; F829-P831 HydrophobicContact CE2-CB 3.79Å; F829-P831 WeakPolarHBondContact O-CD 3.43Å; F829-L835 HydrophobicContact CE2-CD2 4.47Å
830	K	86.7	Confident	92.4	Very high	112 Å²	112	54.8 Å²	54.8	49%	0.487	28%	0.28	S	S	.	.			trans	-91.7	97.7	178.2	-164.5	170.8	-175	164.3	0	110.3	E527 T832	E527-K830 WeakPolarHBondContact OE1-CD 3.4Å; E527-K830 IonicContact OE1-NZ 3.38Å; E527-K830 PolarHBondContact OE1-NZ 3.4Å; K830-T832 PolarHBondContact O-N 3.25Å
831	P	88.7	Confident	92.4	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.058	29%	0.287	C	S	.	.			trans	-67.3	131	-177.1	28.7	-36	0	0	0	110.6	V822 L825 F829 I836	V822-P831 HydrophobicContact CB-CG 4.43Å; V822-P831 HydrophobicContact CG2-CG 4.09Å; L825-P831 HydrophobicContact CB-CG 4.12Å; L825-P831 HydrophobicContact CD1-CG 4.47Å; F829-P831 HydrophobicContact CD2-CB 4.34Å; F829-P831 HydrophobicContact CE2-CB 3.79Å; F829-P831 WeakPolarHBondContact O-CD 3.43Å; P831-I836 HydrophobicContact CB-CD1 4.08Å; P831-I836 HydrophobicContact CB-CG1 4.16Å; P831-I836 HydrophobicContact CG-CD1 4.19Å
832	T	91	Very high	92.3	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.521	30%	0.296	S	S	.	.			trans	-73.5	143.4	173.2	62.7	0	0	0	0	110.3	K830 L834 L835 I836	K830-T832 PolarHBondContact O-N 3.25Å; T832-L834 PolarHBondContact O-N 3.42Å; T832-L834 VanDerWaalsContact O-N 3.15Å; T832-L835 WeakPolarHBondContact O-CB 3.31Å; T832-L835 PolarHBondContact O-N 3.08Å; T832-L835 WeakPolarHBondContact OG1-CB 3.33Å; T832-L835 PolarHBondContact OG1-N 3.3Å; T832-I836 PolarHBondContact O-N 3.11Å; T832-I836 VanDerWaalsContact O-N 3.13Å
833	V	92.7	Very high	92.4	Very high	70 Å²	70	54.5 Å²	54.5	42%	0.424	29%	0.285	S	S	.	.	H	α-helix	trans	-56.2	-34.2	176.1	177.3	0	0	0	0	111.2	I818 I836 K837	I818-V833 HydrophobicContact CD1-CG1 4.13Å; I818-V833 HydrophobicContact CG2-CG2 4.35Å; V833-I836 PolarHBondContact O-N 3.19Å; V833-K837 HydrophobicContact CG1-CD 4.14Å; V833-K837 HydrophobicContact CG1-CG 4.39Å; V833-K837 WeakPolarHBondContact O-CB 3.32Å; V833-K837 WeakPolarHBondContact O-CG 3.48Å; V833-K837 PolarHBondContact O-N 3.33Å
834	L	94	Very high	92.4	Very high	102 Å²	102	52.8 Å²	52.8	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.7	-176.4	64.3	0	0	0	112.4	T832 K837 R838	T832-L834 PolarHBondContact O-N 3.42Å; T832-L834 VanDerWaalsContact O-N 3.15Å; L834-K837 PolarHBondContact O-N 3.39Å; L834-R838 WeakPolarHBondContact O-CG 3.39Å; L834-R838 PolarHBondContact O-N 3.5Å
835	L	93.5	Very high	92.4	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-44.2	176.9	176.5	62.8	0	0	0	111.2	R794 K795 V798 F829 T832 R838 C839	R794-L835 HydrophobicContact CB-CD2 4.16Å; K795-L835 HydrophobicContact CG-CD1 3.9Å; V798-L835 HydrophobicContact CG2-CD2 4.09Å; V798-L835 HydrophobicContact CG2-CG 4.42Å; F829-L835 HydrophobicContact CE2-CD2 4.47Å; T832-L835 WeakPolarHBondContact O-CB 3.31Å; T832-L835 PolarHBondContact O-N 3.08Å; T832-L835 WeakPolarHBondContact OG1-CB 3.33Å; T832-L835 PolarHBondContact OG1-N 3.3Å; L835-R838 PolarHBondContact O-N 3.13Å; L835-C839 PolarHBondContact O-N 3.07Å; L835-C839 PolarHBondContact O-SG 3.26Å
836	I	95.7	Very high	92.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-47.4	178.3	-59.8	170.4	0	0	0	110.1	V798 I802 I818 V821 V822 P831 T832 V833 R838 C839 I840	V798-I836 HydrophobicContact CG1-CG1 4.31Å; I802-I836 HydrophobicContact CD1-CG2 4.38Å; I818-I836 HydrophobicContact CG1-CG2 4.01Å; I818-I836 HydrophobicContact CG2-CD1 4.21Å; V821-I836 HydrophobicContact CB-CD1 4.32Å; V821-I836 HydrophobicContact CG1-CD1 3.85Å; V821-I836 HydrophobicContact CG1-CG1 4Å; V821-I836 HydrophobicContact CG1-CG2 4.41Å; V822-I836 HydrophobicContact CG2-CD1 3.75Å; P831-I836 HydrophobicContact CB-CD1 4.08Å; P831-I836 HydrophobicContact CB-CG1 4.16Å; P831-I836 HydrophobicContact CG-CD1 4.19Å; T832-I836 PolarHBondContact O-N 3.11Å; T832-I836 VanDerWaalsContact O-N 3.13Å; V833-I836 PolarHBondContact O-N 3.19Å; I836-R838 VanDerWaalsContact C-N 3.35Å; I836-R838 PolarHBondContact O-N 2.97Å; I836-C839 PolarHBondContact O-N 2.99Å; I836-C839 VanDerWaalsContact O-N 3.11Å; I836-I840 HydrophobicContact CG2-CD1 3.98Å; I836-I840 HydrophobicContact CG2-CG1 4.41Å; I836-I840 WeakPolarHBondContact O-CG1 3.48Å; I836-I840 PolarHBondContact O-N 2.86Å
837	K	94.8	Very high	92.7	Very high	99 Å²	99	66.7 Å²	66.7	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-57.6	-45	177	-76	178.6	177.1	-177.6	0	112.3	V833 L834 C839 I840 T841	V833-K837 HydrophobicContact CG1-CD 4.14Å; V833-K837 HydrophobicContact CG1-CG 4.39Å; V833-K837 WeakPolarHBondContact O-CB 3.32Å; V833-K837 WeakPolarHBondContact O-CG 3.48Å; V833-K837 PolarHBondContact O-N 3.33Å; L834-K837 PolarHBondContact O-N 3.39Å; K837-C839 VanDerWaalsContact C-N 3.32Å; K837-C839 PolarHBondContact O-N 3.14Å; K837-I840 PolarHBondContact O-N 2.97Å; K837-T841 PolarHBondContact O-N 3.18Å; K837-T841 PolarHBondContact O-OG1 3Å
838	R	95.1	Very high	93	Very high	169 Å²	169	67.7 Å²	67.7	64%	0.638	32%	0.319	S	S	*	.	H	α-helix	trans	-61.5	-40	175.6	-73.3	176.5	179.3	179.5	-0.6	112.1	L834 L835 I836 T841 A842	L834-R838 WeakPolarHBondContact O-CG 3.39Å; L834-R838 PolarHBondContact O-N 3.5Å; L835-R838 PolarHBondContact O-N 3.13Å; I836-R838 VanDerWaalsContact C-N 3.35Å; I836-R838 PolarHBondContact O-N 2.97Å; R838-T841 PolarHBondContact O-N 3.47Å; R838-A842 PolarHBondContact O-N 3Å
839	C	96.1	Very high	93.3	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-68.1	-38.4	177.3	-65.5	0	0	0	0	112.3	V798 Q799 I802 L835 I836 K837 A842 L843	V798-C839 HydrophobicContact CB-CB 4.44Å; V798-C839 HydrophobicContact CG1-CB 3.69Å; Q799-C839 HydrophobicContact CG-CB 3.89Å; I802-C839 HydrophobicContact CD1-CB 3.82Å; L835-C839 PolarHBondContact O-N 3.07Å; L835-C839 PolarHBondContact O-SG 3.26Å; I836-C839 PolarHBondContact O-N 2.99Å; I836-C839 VanDerWaalsContact O-N 3.11Å; K837-C839 VanDerWaalsContact C-N 3.32Å; K837-C839 PolarHBondContact O-N 3.14Å; C839-A842 PolarHBondContact O-N 2.89Å; C839-L843 WeakPolarHBondContact O-CB 3.2Å; C839-L843 VanDerWaalsContact O-CG 3.3Å; C839-L843 WeakPolarHBondContact O-CG 3.17Å; C839-L843 PolarHBondContact O-N 2.82Å
840	I	95	Very high	93.4	Very high	3 Å²	3	68.7 Å²	68.7	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-49	173.3	-69.1	169.4	0	0	0	110	I802 L817 I836 K837 A842 L843 I844 I849 Y859	I802-I840 HydrophobicContact CD1-CG1 3.9Å; L817-I840 HydrophobicContact CD2-CD1 3.97Å; L817-I840 HydrophobicContact CD2-CG1 4.29Å; I836-I840 HydrophobicContact CG2-CD1 3.98Å; I836-I840 HydrophobicContact CG2-CG1 4.41Å; I836-I840 WeakPolarHBondContact O-CG1 3.48Å; I836-I840 PolarHBondContact O-N 2.86Å; K837-I840 PolarHBondContact O-N 2.97Å; I840-A842 VanDerWaalsContact C-N 3.35Å; I840-A842 PolarHBondContact O-N 3.38Å; I840-L843 PolarHBondContact O-N 3.44Å; I840-L843 VanDerWaalsContact O-N 3.14Å; I840-I844 HydrophobicContact CG2-CD1 3.91Å; I840-I844 HydrophobicContact CG2-CG1 4.47Å; I840-I844 WeakPolarHBondContact O-CG1 3.27Å; I840-I844 PolarHBondContact O-N 2.6Å; I840-I849 HydrophobicContact CG2-CD1 4.03Å; I840-Y859 HydrophobicContact CD1-CE2 4.2Å; I840-Y859 HydrophobicContact CG2-CD1 4.47Å; I840-Y859 HydrophobicContact CG2-CE1 3.85Å; I840-Y859 HydrophobicContact CG2-CE2 4.17Å
841	T	94.6	Very high	93.6	Very high	71 Å²	71	69.9 Å²	69.9	44%	0.436	33%	0.326	S	S	.	.	H	α-helix	trans	-57.1	-47.9	177.4	-55.9	0	0	0	0	111.6	K837 R838 L843 I844 E845	K837-T841 PolarHBondContact O-N 3.18Å; K837-T841 PolarHBondContact O-OG1 3Å; R838-T841 PolarHBondContact O-N 3.47Å; T841-L843 VanDerWaalsContact C-N 3.27Å; T841-L843 PolarHBondContact O-N 2.98Å; T841-I844 WeakPolarHBondContact O-CB 3.46Å; T841-I844 PolarHBondContact O-N 2.94Å; T841-I844 VanDerWaalsContact O-N 3.11Å; T841-E845 WeakPolarHBondContact O-CG 3.38Å; T841-E845 PolarHBondContact O-N 2.68Å
842	A	94.9	Very high	93.5	Very high	21 Å²	21	71.1 Å²	71.1	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-32.1	178.4	0	0	0	0	0	113.3	R838 C839 I840 R846	R838-A842 PolarHBondContact O-N 3Å; C839-A842 PolarHBondContact O-N 2.89Å; I840-A842 VanDerWaalsContact C-N 3.35Å; I840-A842 PolarHBondContact O-N 3.38Å; A842-R846 WeakPolarHBondContact O-CB 3.46Å; A842-R846 VanDerWaalsContact O-CG 3.24Å; A842-R846 WeakPolarHBondContact O-CG 3.36Å; A842-R846 PolarHBondContact O-N 2.88Å; A842-R846 VanDerWaalsContact O-N 3.15Å
843	L	95.5	Very high	93	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-76.5	-28.4	175.6	-72.6	172.7	0	0	0	112.8	Q799 I802 V803 C839 I840 T841 E847 Y848 I849	Q799-L843 HydrophobicContact CB-CD1 4.34Å; Q799-L843 HydrophobicContact CB-CD2 4.22Å; Q799-L843 HydrophobicContact CB-CG 4.43Å; Q799-L843 HydrophobicContact CG-CD1 4.34Å; Q799-L843 HydrophobicContact CG-CD2 4.28Å; Q799-L843 HydrophobicContact CG-CG 4.14Å; I802-L843 HydrophobicContact CB-CD1 3.71Å; I802-L843 HydrophobicContact CD1-CD1 4.11Å; I802-L843 HydrophobicContact CG2-CD1 3.51Å; V803-L843 HydrophobicContact CG2-CD1 4.01Å; V803-L843 HydrophobicContact CG2-CD2 3.74Å; C839-L843 WeakPolarHBondContact O-CB 3.2Å; C839-L843 VanDerWaalsContact O-CG 3.3Å; C839-L843 WeakPolarHBondContact O-CG 3.17Å; C839-L843 PolarHBondContact O-N 2.82Å; I840-L843 PolarHBondContact O-N 3.44Å; I840-L843 VanDerWaalsContact O-N 3.14Å; T841-L843 VanDerWaalsContact C-N 3.27Å; T841-L843 PolarHBondContact O-N 2.98Å; L843-E847 PolarHBondContact O-N 3.4Å; L843-Y848 HydrophobicContact CD2-CD2 4.14Å; L843-Y848 HydrophobicContact CD2-CG 4.12Å; L843-Y848 PolarHBondContact O-N 3.25Å; L843-I849 HydrophobicContact CB-CD1 4.01Å; L843-I849 HydrophobicContact CB-CG1 3.92Å
844	I	93.5	Very high	92.4	Very high	52 Å²	52	77.7 Å²	77.7	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-46.8	170.6	-66.1	167.3	0	0	0	110.2	I840 T841 R846 E847 I849 R851 Y859	I840-I844 HydrophobicContact CG2-CD1 3.91Å; I840-I844 HydrophobicContact CG2-CG1 4.47Å; I840-I844 WeakPolarHBondContact O-CG1 3.27Å; I840-I844 PolarHBondContact O-N 2.6Å; T841-I844 WeakPolarHBondContact O-CB 3.46Å; T841-I844 PolarHBondContact O-N 2.94Å; T841-I844 VanDerWaalsContact O-N 3.11Å; I844-R846 PolarHBondContact O-N 3.24Å; I844-E847 PolarHBondContact O-N 2.93Å; I844-I849 WeakPolarHBondContact CA-O 3.39Å; I844-I849 HydrophobicContact CG1-CD1 4.07Å; I844-I849 HydrophobicContact CG1-CG1 3.76Å; I844-R851 HydrophobicContact CD1-CG 4.43Å; I844-Y859 HydrophobicContact CD1-CD1 4.4Å; I844-Y859 HydrophobicContact CD1-CE1 4.06Å
845	E	94.1	Very high	91.9	Very high	148 Å²	148	76.9 Å²	76.9	69%	0.692	36%	0.355	S	S	*	.	H	α-helix	trans	-61.1	-31.3	177.1	-71.3	169.8	-176.1	0	0	112.8	T841 E847	T841-E845 WeakPolarHBondContact O-CG 3.38Å; T841-E845 PolarHBondContact O-N 2.68Å; E845-E847 VanDerWaalsContact C-N 3.29Å
846	R	94.2	Very high	91.4	Very high	145 Å²	145	85.9 Å²	85.9	55%	0.547	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	9	175.1	-66.9	174.5	-178.4	-179.5	0.3	113.5	A842 I844 Y848	A842-R846 WeakPolarHBondContact O-CB 3.46Å; A842-R846 VanDerWaalsContact O-CG 3.24Å; A842-R846 WeakPolarHBondContact O-CG 3.36Å; A842-R846 PolarHBondContact O-N 2.88Å; A842-R846 VanDerWaalsContact O-N 3.15Å; I844-R846 PolarHBondContact O-N 3.24Å; R846-Y848 HydrophobicContact CB-CD2 3.73Å; R846-Y848 HydrophobicContact CB-CE2 4.03Å; R846-Y848 WeakPolarHBondContact O-CD2 3.47Å; R846-Y848 PolarHBondContact O-N 2.89Å; R846-Y848 VanDerWaalsContact O-N 3.12Å
847	E	92.3	Very high	91.1	Very high	151 Å²	151	89.6 Å²	89.6	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	24.1	175.9	-53.9	-175.1	157.3	0	0	115.2	L843 I844 E845 L862	L843-E847 PolarHBondContact O-N 3.4Å; I844-E847 PolarHBondContact O-N 2.93Å; E845-E847 VanDerWaalsContact C-N 3.29Å; E847-L862 WeakPolarHBondContact O-CB 3.45Å
848	Y	91.7	Very high	91	Very high	102 Å²	102	84.9 Å²	84.9	40%	0.4	39%	0.387	S	S	.	.	S	Bend	trans	-76.1	-31.6	172.4	-81.3	-94.9	0	0	0	111.9	V803 L843 R846 Y861 L862 A863	V803-Y848 HydrophobicContact CG1-CD1 4.29Å; V803-Y848 HydrophobicContact CG2-CD1 3.93Å; V803-Y848 HydrophobicContact CG2-CG 4.31Å; L843-Y848 HydrophobicContact CD2-CD2 4.14Å; L843-Y848 HydrophobicContact CD2-CG 4.12Å; L843-Y848 PolarHBondContact O-N 3.25Å; R846-Y848 HydrophobicContact CB-CD2 3.73Å; R846-Y848 HydrophobicContact CB-CE2 4.03Å; R846-Y848 WeakPolarHBondContact O-CD2 3.47Å; R846-Y848 PolarHBondContact O-N 2.89Å; R846-Y848 VanDerWaalsContact O-N 3.12Å; Y848-Y861 VanDerWaalsContact O-CD2 3.23Å; Y848-Y861 WeakPolarHBondContact O-CD2 3.37Å; Y848-L862 PolarHBondContact O-N 3.08Å; Y848-A863 HydrophobicContact CD1-CB 4.2Å
849	I	94.2	Very high	91	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.4	179	57.2	173.3	0	0	0	109.5	I802 M806 I840 L843 I844 E860 Y861	I802-I849 HydrophobicContact CG2-CD1 4.42Å; M806-I849 HydrophobicContact CB-CG2 4.03Å; M806-I849 HydrophobicContact CE-CG2 4.42Å; M806-I849 HydrophobicContact CG-CG2 3.98Å; I840-I849 HydrophobicContact CG2-CD1 4.03Å; L843-I849 HydrophobicContact CB-CD1 4.01Å; L843-I849 HydrophobicContact CB-CG1 3.92Å; I844-I849 WeakPolarHBondContact CA-O 3.39Å; I844-I849 HydrophobicContact CG1-CD1 4.07Å; I844-I849 HydrophobicContact CG1-CG1 3.76Å; I849-E860 CarbonylContact C-O 3.43Å; I849-E860 WeakPolarHBondContact CA-O 3.31Å; I849-E860 WeakPolarHBondContact CB-O 3.28Å; I849-Y861 HydrophobicContact CG2-CD2 4.08Å
850	K	92.5	Very high	90.8	Very high	65 Å²	65	79.8 Å²	79.8	28%	0.283	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.9	168.5	61	175.3	177.6	-169.8	0	110.4	Y859 E860 L862	K850-Y859 CarbonylContact O-C 3.52Å; K850-Y859 VanDerWaalsContact O-CA 3.24Å; K850-Y859 WeakPolarHBondContact O-CA 3.18Å; K850-E860 VanDerWaalsContact CE-OE1 3.29Å; K850-E860 WeakPolarHBondContact CE-OE1 3.41Å; K850-E860 WeakPolarHBondContact CE-OE2 3.33Å; K850-E860 HydrophobicContact CG-CB 4.1Å; K850-E860 PolarHBondContact N-O 3.26Å; K850-E860 VanDerWaalsContact NZ-CD 3.28Å; K850-E860 IonicContact NZ-OE1 2.76Å; K850-E860 PolarHBondContact NZ-OE1 3.32Å; K850-E860 IonicContact NZ-OE2 3.7Å; K850-E860 PolarHBondContact NZ-OE2 3.46Å; K850-E860 PolarHBondContact O-N 2.83Å; K850-L862 HydrophobicContact CB-CD1 3.86Å; K850-L862 HydrophobicContact CB-CG 4.37Å; K850-L862 HydrophobicContact CD-CD1 4.2Å; K850-L862 HydrophobicContact CD-CD2 3.71Å; K850-L862 HydrophobicContact CD-CG 4.25Å; K850-L862 HydrophobicContact CG-CD1 3.95Å; K850-L862 HydrophobicContact CG-CD2 3.93Å; K850-L862 HydrophobicContact CG-CG 3.95Å
851	R	92	Very high	90.8	Very high	138 Å²	138	80.9 Å²	80.9	52%	0.521	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.4	166.9	-67.3	-178.8	-178.3	-130.7	7.6	109	I844 A858 Y859	I844-R851 HydrophobicContact CD1-CG 4.43Å; R851-A858 WeakPolarHBondContact CA-O 3.35Å; R851-Y859 HydrophobicContact CG-CD1 4.09Å; R851-Y859 HydrophobicContact CG-CE1 3.92Å
852	D	86.6	Confident	90.6	Very high	34 Å²	34	81.2 Å²	81.2	18%	0.182	37%	0.372	C	S	.	.			trans	-64.3	144.3	174.4	-176.1	-99.8	0	0	0	110.4	N854 E855 A858	D852-N854 WeakPolarHBondContact OD1-CA 3.47Å; D852-N854 WeakPolarHBondContact OD1-CB 3.21Å; D852-N854 PolarHBondContact OD1-N 3.3Å; D852-E855 PolarHBondContact OD1-N 3.02Å; D852-A858 HydrophobicContact CB-CB 3.87Å; D852-A858 PolarHBondContact N-O 3.49Å
853	N	80.2	Confident	89.8	Confident	141 Å²	141	84.4 Å²	84.4	75%	0.754	40%	0.399	S	S	*	.	S	Bend	trans	-74.3	-27.9	-175.9	-71.3	-25	0	0	0	112.4
854	N	80.2	Confident	89.5	Confident	152 Å²	152	88.5 Å²	88.5	81%	0.813	42%	0.418	S	S	*	.	S	Bend	trans	-95.8	-40.3	-176.6	-58.7	-34.6	0	0	0	111.2	D852	D852-N854 WeakPolarHBondContact OD1-CA 3.47Å; D852-N854 WeakPolarHBondContact OD1-CB 3.21Å; D852-N854 PolarHBondContact OD1-N 3.3Å
855	E	84.1	Confident	89.3	Confident	85 Å²	85	90.4 Å²	90.4	40%	0.397	43%	0.426	S	S	.	.			trans	-114.4	103.1	-179.7	-72.5	-165	159.3	0	0	111.8	K813 D852 D857 A858	K813-E855 WeakPolarHBondContact CE-OE2 3.34Å; K813-E855 IonicContact NZ-OE1 3.12Å; K813-E855 PolarHBondContact NZ-OE1 3.47Å; K813-E855 IonicContact NZ-OE2 3.46Å; K813-E855 PolarHBondContact NZ-OE2 3.12Å; D852-E855 PolarHBondContact OD1-N 3.02Å; E855-D857 PolarHBondContact O-N 3.48Å; E855-A858 HydrophobicContact CB-CB 3.94Å; E855-A858 PolarHBondContact O-N 3.42Å
856	R	81.7	Confident	89	Confident	218 Å²	218	87.2 Å²	87.2	82%	0.823	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.2	-179.5	-72.5	-172.1	178.8	-174.6	0.8	114.6
857	D	90	Very high	88.7	Confident	78 Å²	78	83.8 Å²	83.8	42%	0.417	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.8	177.3	69.2	-42	0	0	0	113.3	K813 H814 E855	K813-D857 CarbonylContact C-O 3.57Å; K813-D857 WeakPolarHBondContact CA-O 3.43Å; K813-D857 IonicContact NZ-OD2 3.6Å; H814-D857 WeakPolarHBondContact CB-O 3.47Å; H814-D857 PolarHBondContact N-O 2.99Å; E855-D857 PolarHBondContact O-N 3.48Å
858	A	92.5	Very high	88.5	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	151.4	175.2	0	0	0	0	0	112.5	V811 K813 R851 D852 E855	V811-A858 HydrophobicContact CG1-CB 4.32Å; K813-A858 HydrophobicContact CG-CB 4.5Å; R851-A858 WeakPolarHBondContact CA-O 3.35Å; D852-A858 HydrophobicContact CB-CB 3.87Å; D852-A858 PolarHBondContact N-O 3.49Å; E855-A858 HydrophobicContact CB-CB 3.94Å; E855-A858 PolarHBondContact O-N 3.42Å
859	Y	95	Very high	88.3	Confident	10 Å²	10	78.1 Å²	78.1	4%	0.039	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.4	173.2	-56.9	-67.1	0	0	0	110.2	M806 V811 M812 H814 L817 I840 I844 K850 R851	M806-Y859 VanDerWaalsContact CE-O 3.23Å; M806-Y859 WeakPolarHBondContact CE-O 3.4Å; V811-Y859 VanDerWaalsContact CA-O 3.25Å; V811-Y859 WeakPolarHBondContact CA-O 3.37Å; M812-Y859 PolarHBondContact N-O 2.96Å; M812-Y859 PolarHBondContact O-N 2.91Å; H814-Y859 HydrophobicContact CB-CE2 3.8Å; H814-Y859 AromaticContact ND1-CE2 3.39Å; H814-Y859 WeakPolarHBondContact ND1-CE2 3.35Å; H814-Y859 AromaticContact ND1-CZ 3.53Å; H814-Y859 PolarHBondContact ND1-OH 2.78Å; L817-Y859 HydrophobicContact CD2-CD2 3.77Å; L817-Y859 HydrophobicContact CD2-CE2 4.17Å; I840-Y859 HydrophobicContact CD1-CE2 4.2Å; I840-Y859 HydrophobicContact CG2-CD1 4.47Å; I840-Y859 HydrophobicContact CG2-CE1 3.85Å; I840-Y859 HydrophobicContact CG2-CE2 4.17Å; I844-Y859 HydrophobicContact CD1-CD1 4.4Å; I844-Y859 HydrophobicContact CD1-CE1 4.06Å; K850-Y859 CarbonylContact O-C 3.52Å; K850-Y859 VanDerWaalsContact O-CA 3.24Å; K850-Y859 WeakPolarHBondContact O-CA 3.18Å; R851-Y859 HydrophobicContact CG-CD1 4.09Å; R851-Y859 HydrophobicContact CG-CE1 3.92Å
860	E	92.9	Very high	87.9	Confident	56 Å²	56	83.6 Å²	83.6	26%	0.262	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.1	175.3	-173.5	-172.8	145.2	0	0	109.5	K810 V811 I849 K850	K810-E860 CarbonylContact O-C 3.59Å; K810-E860 WeakPolarHBondContact O-CA 3.5Å; V811-E860 HydrophobicContact CG2-CB 4.37Å; V811-E860 HydrophobicContact CG2-CG 4.13Å; I849-E860 CarbonylContact C-O 3.43Å; I849-E860 WeakPolarHBondContact CA-O 3.31Å; I849-E860 WeakPolarHBondContact CB-O 3.28Å; K850-E860 VanDerWaalsContact CE-OE1 3.29Å; K850-E860 WeakPolarHBondContact CE-OE1 3.41Å; K850-E860 WeakPolarHBondContact CE-OE2 3.33Å; K850-E860 HydrophobicContact CG-CB 4.1Å; K850-E860 PolarHBondContact N-O 3.26Å; K850-E860 VanDerWaalsContact NZ-CD 3.28Å; K850-E860 IonicContact NZ-OE1 2.76Å; K850-E860 PolarHBondContact NZ-OE1 3.32Å; K850-E860 IonicContact NZ-OE2 3.7Å; K850-E860 PolarHBondContact NZ-OE2 3.46Å; K850-E860 PolarHBondContact O-N 2.83Å
861	Y	94.5	Very high	87.5	Confident	25 Å²	25	85 Å²	85	10%	0.098	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133	176.2	-174.6	-118.6	0	0	0	111.9	V803 M806 K807 K810 Y848 I849 A863	V803-Y861 HydrophobicContact CG1-CE2 4.1Å; M806-Y861 HydrophobicContact CB-CD2 3.92Å; M806-Y861 HydrophobicContact CB-CG 4.26Å; M806-Y861 WeakPolarHBondContact O-CB 3.41Å; K807-Y861 VanDerWaalsContact CA-CE1 3.48Å; K807-Y861 HydrophobicContact CB-CD1 4.14Å; K807-Y861 HydrophobicContact CB-CE1 3.56Å; K807-Y861 HydrophobicContact CB-CE2 4.31Å; K807-Y861 HydrophobicContact CD-CE1 4.27Å; K807-Y861 HydrophobicContact CG-CD1 4.43Å; K807-Y861 HydrophobicContact CG-CE1 3.61Å; K810-Y861 PolarHBondContact O-N 3.07Å; Y848-Y861 VanDerWaalsContact O-CD2 3.23Å; Y848-Y861 WeakPolarHBondContact O-CD2 3.37Å; I849-Y861 HydrophobicContact CG2-CD2 4.08Å; Y861-A863 WeakPolarHBondContact CD1-OXT 3.17Å; Y861-A863 WeakPolarHBondContact CE1-OXT 3.43Å; Y861-A863 HydrophobicContact CE2-CB 4.19Å
862	L	89.5	Confident	87.1	Confident	79 Å²	79	80.6 Å²	80.6	41%	0.414	41%	0.411	S	S	.	.			trans	-109.9	-30.9	-171.7	-72.8	-179.3	0	0	0	115.5	E847 Y848 K850	E847-L862 WeakPolarHBondContact O-CB 3.45Å; Y848-L862 PolarHBondContact O-N 3.08Å; K850-L862 HydrophobicContact CB-CD1 3.86Å; K850-L862 HydrophobicContact CB-CG 4.37Å; K850-L862 HydrophobicContact CD-CD1 4.2Å; K850-L862 HydrophobicContact CD-CD2 3.71Å; K850-L862 HydrophobicContact CD-CG 4.25Å; K850-L862 HydrophobicContact CG-CD1 3.95Å; K850-L862 HydrophobicContact CG-CD2 3.93Å; K850-L862 HydrophobicContact CG-CG 3.95Å
863	A	78.6	Confident	87.2	Confident	88 Å²	88	84.8 Å²	84.8	73%	0.727	43%	0.432	S	S	*	.			trans	-83.6	0	179.9	0	0	0	0	0	112.5	Y848 Y861	Y848-A863 HydrophobicContact CD1-CB 4.2Å; Y861-A863 WeakPolarHBondContact CD1-OXT 3.17Å; Y861-A863 WeakPolarHBondContact CE1-OXT 3.43Å; Y861-A863 HydrophobicContact CE2-CB 4.19Å

Retrieved 863 of 863 residues in 251.3 ms (Link to these results)

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