A0A077ZCG1_TRITR Loading...

DNA topoisomerase

Introduces a single-strand break via transesterification at a target site in duplex DNA. Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(5'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 3'-OH DNA strand.

AlphaFold DB , UniProt , Accession A0A077ZCG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 924 aa.

						>A0A077ZCG1_TRITR|A0A077ZCG1
MANVVLNVAEKNDAAKGIAQILSRGHLNRKEGFSRFNKLYEFDYTLEGRQCRMVFSSVSGHLMNLDYTSAYRNWQSVPIDQLFDAPLHKECNPDMKPILRTLKSEAAKAKALIIWTDCDREGENIGFEIIEVCKQANPRLDVRRAVFSEITRASVLRALANLAEPNKRLSDAVDCRMELDLRTGAAFTRFQTLRLRQVFAHHLQDKLISYGSCQFPTLGFVVERYKQNQAFVREPFWKLVAIDGGRIFDKDVCELFLALCQEQPGTAKVKDVVGKPTTKLRPLPLETVEMEKLISQKLRISAKETMSLAEKLYTQGYISYPRTETNCFAKEINLVELVQIQTADSQWGDFAQRVLESGPNPRNGKKNDQAHPPIHPIRYAAPQELIGNLKRVYDFIVRHFLACVSKNAEGFQTTVAIDVNGEIFRASGLRVIARNYLDVYPYETWNSKEIPAYNVNEVFNVDVRMSEGVTSPPPLLSEAELIGLMEKCGIGTDATHAEHIETIKKRLYVGLTEENRFLPGYLGLGLVDGYESIGCDMSKPNLRAEFEAELKKICDGVQTKESVLRIFRQKYKELYDKVVQSAERLDAALMAYFGPTDSASERSAPDNPPATSQPQLRPFGSSGAVNCTVCTSCGSFMQLKTARSGRIFVGCSGYPTCKEAIWIRQSDLISSYATTNEQCPRCVDRASVLVELRLKNNSFGLPPVLKTCFTCSSMVTVSLGVQLPSMASSGSLMQIQNPVNAPQTVDSPLCHCAQPSAMRTCRNGANAGRDYFACATSSCRFFSWKDLNSPATSQRATRTDSNPVMCNCGLECSLLTVRKEGPNKGRNFYSCSKAPSERCRFFLWADISGDFIREAAADAGSSGARISIAPAATAGFNFFPSVVRPSPSSAKRPKTTAANPKRRKCGICRQEGHTAKTCPQKAVA
					

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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	52	Low	89.4	Confident	228 Å²	228	40.7 Å²	40.7	100%	1.123	22%	0.221	S	C	*	.				0	133.1	0	-67.1	-178.5	-155.3	0	0	108.4
2	A	62.9	Low	89.9	Confident	67 Å²	67	39.5 Å²	39.5	55%	0.554	22%	0.215	S	C	*	.			trans	-53.5	142.5	172.3	0	0	0	0	0	109.9	V4	A2-V4 PolarHBondContact O-N 3.39Å
3	N	89.7	Confident	90.1	Very high	45 Å²	45	44 Å²	44	24%	0.241	24%	0.238	C	C	.	.			trans	-70.1	96.2	175.6	-171.7	25.5	0	0	0	108.5	C51 R52 K110	N3-C51 HydrophobicContact CB-CB 4.17Å; N3-C51 CarbonylContact O-C 3.58Å; N3-C51 WeakPolarHBondContact O-CA 3.49Å; N3-C51 WeakPolarHBondContact O-CB 3.35Å; N3-R52 PolarHBondContact O-N 3.12Å; N3-K110 VanDerWaalsContact OD1-CD 3.28Å; N3-K110 WeakPolarHBondContact OD1-CD 3.35Å
4	V	96.8	Very high	90.3	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.127	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.2	-177.6	174.7	0	0	0	0	109.8	A2 R52 V54 A109 K110	A2-V4 PolarHBondContact O-N 3.39Å; V4-R52 WeakPolarHBondContact CA-O 3.43Å; V4-V54 HydrophobicContact CG1-CG2 3.78Å; V4-A109 HydrophobicContact CG1-CB 4.16Å; V4-A109 WeakPolarHBondContact O-CA 3.49Å; V4-K110 PolarHBondContact O-N 3.33Å
5	V	98.1	Very high	90.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.5	173.8	-176.8	0	0	0	0	108.2	N7 L46 C51 R52 M53 V54 A111 I113	V5-N7 PolarHBondContact O-ND2 3.24Å; V5-L46 HydrophobicContact CG2-CD2 4.46Å; V5-C51 HydrophobicContact CG2-CB 4.01Å; V5-R52 PolarHBondContact N-O 3.36Å; V5-M53 HydrophobicContact CB-SD 3.92Å; V5-M53 HydrophobicContact CG1-SD 4.05Å; V5-V54 PolarHBondContact O-N 3.45Å; V5-A111 HydrophobicContact CG1-CB 4.22Å; V5-A111 HydrophobicContact CG2-CB 4.4Å; V5-I113 HydrophobicContact CG1-CD1 3.69Å; V5-I113 HydrophobicContact CG1-CG1 3.83Å
6	L	98.5	Very high	91.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131	174.4	178.1	59.1	0	0	0	108.8	V8 V54 E105 A106 A109 A111 L112 I113	L6-V8 HydrophobicContact CD1-CG2 4.15Å; L6-V8 HydrophobicContact CD2-CG2 4.22Å; L6-V8 HydrophobicContact CG-CG2 3.87Å; L6-V54 HydrophobicContact CD1-CG1 4.42Å; L6-E105 HydrophobicContact CD1-CB 3.86Å; L6-E105 HydrophobicContact CD2-CB 4.23Å; L6-A106 HydrophobicContact CD2-CB 4.17Å; L6-A109 HydrophobicContact CB-CB 3.84Å; L6-A111 PolarHBondContact N-O 3.05Å; L6-L112 HydrophobicContact CB-CD1 4.29Å; L6-L112 HydrophobicContact CD2-CD1 4.1Å; L6-L112 HydrophobicContact CG-CD1 3.95Å; L6-L112 CarbonylContact O-C 3.55Å; L6-L112 VanDerWaalsContact O-CA 3.26Å; L6-L112 WeakPolarHBondContact O-CA 3.38Å; L6-I113 PolarHBondContact O-N 3.14Å
7	N	98.7	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	178.3	-65.9	-102.8	0	0	0	107.9	V5 M53 V54 F55 S56 I113 W115	V5-N7 PolarHBondContact O-ND2 3.24Å; N7-M53 PolarHBondContact ND2-SD 2.97Å; N7-V54 PolarHBondContact N-O 3.12Å; N7-F55 HydrophobicContact CB-CB 4.45Å; N7-F55 HydrophobicContact CB-CD1 3.57Å; N7-F55 HydrophobicContact CB-CD2 3.64Å; N7-F55 HydrophobicContact CB-CE1 3.51Å; N7-F55 HydrophobicContact CB-CE2 3.59Å; N7-F55 HydrophobicContact CB-CG 3.63Å; N7-F55 HydrophobicContact CB-CZ 3.51Å; N7-F55 VanDerWaalsContact CG-CZ 3.49Å; N7-F55 CarbonylContact O-C 3.58Å; N7-F55 WeakPolarHBondContact O-CA 3.46Å; N7-F55 WeakPolarHBondContact OD1-CZ 3.43Å; N7-S56 PolarHBondContact O-N 3.17Å; N7-I113 WeakPolarHBondContact CA-O 3.38Å; N7-W115 PolarHBondContact OD1-NE1 3.33Å
8	V	98.7	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.2	-174.4	-170.4	0	0	0	0	110.4	L6 V58 L102 L112 I113 W115 I129	L6-V8 HydrophobicContact CD1-CG2 4.15Å; L6-V8 HydrophobicContact CD2-CG2 4.22Å; L6-V8 HydrophobicContact CG-CG2 3.87Å; V8-V58 HydrophobicContact CG1-CG1 4.03Å; V8-L102 HydrophobicContact CG1-CD2 3.92Å; V8-L102 HydrophobicContact CG2-CD2 3.76Å; V8-L112 HydrophobicContact CB-CD1 4.48Å; V8-L112 HydrophobicContact CG2-CD1 3.69Å; V8-I113 PolarHBondContact N-O 3.02Å; V8-W115 WeakPolarHBondContact O-CA 3.44Å; V8-W115 PolarHBondContact O-N 3.33Å; V8-I129 HydrophobicContact CB-CD1 4.18Å; V8-I129 HydrophobicContact CB-CG2 3.99Å; V8-I129 HydrophobicContact CG1-CD1 3.6Å; V8-I129 HydrophobicContact CG1-CG1 4.1Å; V8-I129 HydrophobicContact CG1-CG2 4.03Å; V8-I129 HydrophobicContact CG2-CG2 3.95Å
9	A	98.1	Very high	91.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	167	173.6	0	0	0	0	0	112.2	A14 A15 S56 S57 V58 W115	A9-A14 HydrophobicContact CB-CB 4.15Å; A9-A15 HydrophobicContact CB-CB 3.87Å; A9-S56 PolarHBondContact N-O 3.16Å; A9-S57 CarbonylContact O-C 3.58Å; A9-S57 WeakPolarHBondContact O-CA 3.15Å; A9-S57 WeakPolarHBondContact O-CB 3.13Å; A9-V58 PolarHBondContact O-N 2.74Å; A9-W115 WeakPolarHBondContact CA-O 3.47Å; A9-W115 HydrophobicContact CB-CB 4.08Å
10	E	95.7	Very high	92.1	Very high	21 Å²	21	38.4 Å²	38.4	10%	0.098	20%	0.204	C	C	.	.	S	Bend	trans	-70.2	-33.9	-178.8	-168.3	-176.9	123.9	0	0	113.7	V58 S59 G60 T116 D117 I125	E10-V58 CarbonylContact O-C 3.55Å; E10-V58 WeakPolarHBondContact O-CG2 3.44Å; E10-S59 PolarHBondContact O-N 3.16Å; E10-G60 PolarHBondContact O-N 2.85Å; E10-T116 HydrophobicContact CB-CG2 4.17Å; E10-D117 PolarHBondContact OE2-N 3.29Å; E10-I125 HydrophobicContact CG-CD1 3.95Å
11	K	94.2	Very high	92.2	Very high	62 Å²	62	38.1 Å²	38.1	27%	0.27	20%	0.202	S	C	.	.	S	Bend	trans	-137.2	151.6	-177.4	-63.3	173	-172.7	159.5	0	110.2	D13 A14 A15 S57 E310	K11-D13 VanDerWaalsContact C-N 3.3Å; K11-D13 PolarHBondContact O-N 2.94Å; K11-A14 WeakPolarHBondContact O-CB 3.48Å; K11-A14 PolarHBondContact O-N 2.7Å; K11-A15 PolarHBondContact O-N 3.27Å; K11-A15 VanDerWaalsContact O-N 3.09Å; K11-S57 VanDerWaalsContact C-CB 3.41Å; K11-S57 WeakPolarHBondContact O-CB 3.41Å; K11-E310 IonicContact NZ-OE2 3.38Å; K11-E310 PolarHBondContact NZ-OE2 2.81Å
12	N	95.7	Very high	94.3	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-36.4	-176.4	-175.6	82.5	0	0	0	113.4	A14 A15 K16 F36 K38 Y40 S57	N12-A14 VanDerWaalsContact C-N 3.33Å; N12-A14 PolarHBondContact O-N 3.04Å; N12-A15 PolarHBondContact O-N 3.19Å; N12-K16 WeakPolarHBondContact O-CB 3.32Å; N12-K16 PolarHBondContact O-N 3.25Å; N12-F36 VanDerWaalsContact CB-O 3.31Å; N12-F36 WeakPolarHBondContact CB-O 3.5Å; N12-F36 PolarHBondContact OD1-O 3.44Å; N12-K38 PolarHBondContact OD1-N 3.36Å; N12-Y40 PolarHBondContact ND2-OH 2.81Å; N12-Y40 VanDerWaalsContact ND2-OH 3.12Å; N12-S57 WeakPolarHBondContact CA-OG 3.13Å; N12-S57 WeakPolarHBondContact CB-OG 3.43Å; N12-S57 PolarHBondContact N-OG 3.25Å
13	D	92.6	Very high	95.9	Very high	98 Å²	98	25 Å²	25	52%	0.524	13%	0.128	S	C	.	.	H	α-helix	trans	-66.6	-36.2	179	-72	-26.5	0	0	0	111.9	K11 K16 G17 T314	K11-D13 VanDerWaalsContact C-N 3.3Å; K11-D13 PolarHBondContact O-N 2.94Å; D13-K16 PolarHBondContact O-N 3.37Å; D13-G17 PolarHBondContact O-N 2.61Å; D13-T314 HydrophobicContact CB-CG2 3.37Å
14	A	93.1	Very high	96.1	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-48.2	172.1	0	0	0	0	0	111.2	A9 K11 N12 K16 G17 I18 I150	A9-A14 HydrophobicContact CB-CB 4.15Å; K11-A14 WeakPolarHBondContact O-CB 3.48Å; K11-A14 PolarHBondContact O-N 2.7Å; N12-A14 VanDerWaalsContact C-N 3.33Å; N12-A14 PolarHBondContact O-N 3.04Å; A14-K16 VanDerWaalsContact C-N 3.29Å; A14-K16 PolarHBondContact O-N 3.22Å; A14-G17 PolarHBondContact O-N 3.45Å; A14-I18 WeakPolarHBondContact O-CB 3.47Å; A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 VanDerWaalsContact O-CG1 3.26Å; A14-I18 WeakPolarHBondContact O-CG1 3.43Å; A14-I18 PolarHBondContact O-N 3.39Å; A14-I150 HydrophobicContact CB-CD1 4.05Å
15	A	96.9	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-45	176	0	0	0	0	0	112.1	A9 K11 N12 A19 Y40 S56	A9-A15 HydrophobicContact CB-CB 3.87Å; K11-A15 PolarHBondContact O-N 3.27Å; K11-A15 VanDerWaalsContact O-N 3.09Å; N12-A15 PolarHBondContact O-N 3.19Å; A15-A19 WeakPolarHBondContact O-CB 3.36Å; A15-A19 PolarHBondContact O-N 3.27Å; A15-Y40 HydrophobicContact CB-CD2 4.43Å; A15-Y40 HydrophobicContact CB-CE2 4.32Å; A15-S56 VanDerWaalsContact CB-O 3.29Å; A15-S56 WeakPolarHBondContact CB-O 3.47Å
16	K	95.8	Very high	95.7	Very high	85 Å²	85	40.6 Å²	40.6	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-49.7	176.6	-176.1	-173.7	170	-167.9	0	111.5	N12 D13 A14 A19 Q20 Y40	N12-K16 WeakPolarHBondContact O-CB 3.32Å; N12-K16 PolarHBondContact O-N 3.25Å; D13-K16 PolarHBondContact O-N 3.37Å; A14-K16 VanDerWaalsContact C-N 3.29Å; A14-K16 PolarHBondContact O-N 3.22Å; K16-A19 PolarHBondContact O-N 3.32Å; K16-Q20 HydrophobicContact CG-CG 4.45Å; K16-Q20 WeakPolarHBondContact O-CB 3.47Å; K16-Q20 WeakPolarHBondContact O-CG 3.28Å; K16-Q20 PolarHBondContact O-N 3.08Å; K16-Y40 HydrophobicContact CB-CE1 4.31Å; K16-Y40 HydrophobicContact CB-CE2 3.82Å; K16-Y40 HydrophobicContact CG-CE1 4.09Å; K16-Y40 HydrophobicContact CG-CE2 4.48Å
17	G	93.7	Very high	95.6	Very high	15 Å²	15	42.7 Å²	42.7	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-48.3	-178.3	0	0	0	0	0	112.1	D13 A14 Q20 I21	D13-G17 PolarHBondContact O-N 2.61Å; A14-G17 PolarHBondContact O-N 3.45Å; G17-Q20 PolarHBondContact O-N 2.88Å; G17-I21 WeakPolarHBondContact O-CG1 3.5Å; G17-I21 PolarHBondContact O-N 2.67Å; G17-I21 VanDerWaalsContact O-N 3.1Å
18	I	96.4	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-46.6	179	-62.5	163	0	0	0	110.6	A14 Q20 I21 L22 F55 W115 F147 I150 V155	A14-I18 WeakPolarHBondContact O-CB 3.47Å; A14-I18 WeakPolarHBondContact O-CD1 3.32Å; A14-I18 VanDerWaalsContact O-CG1 3.26Å; A14-I18 WeakPolarHBondContact O-CG1 3.43Å; A14-I18 PolarHBondContact O-N 3.39Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 3.35Å; I18-I21 WeakPolarHBondContact O-CB 3.08Å; I18-I21 PolarHBondContact O-N 3.12Å; I18-L22 HydrophobicContact CG2-CD1 4.05Å; I18-L22 PolarHBondContact O-N 3.45Å; I18-F55 HydrophobicContact CB-CE1 4.1Å; I18-F55 HydrophobicContact CG2-CD1 4.4Å; I18-F55 HydrophobicContact CG2-CE1 3.47Å; I18-F55 VanDerWaalsContact CG2-CE1 3.47Å; I18-F55 HydrophobicContact CG2-CZ 3.8Å; I18-W115 HydrophobicContact CD1-CB 4.24Å; I18-W115 HydrophobicContact CD1-CD2 4.27Å; I18-W115 HydrophobicContact CD1-CE3 3.77Å; I18-W115 HydrophobicContact CD1-CZ3 4.49Å; I18-W115 HydrophobicContact CG1-CE3 4.45Å; I18-W115 HydrophobicContact CG2-CD2 4.13Å; I18-W115 HydrophobicContact CG2-CE3 3.92Å; I18-W115 HydrophobicContact CG2-CH2 4.12Å; I18-W115 HydrophobicContact CG2-CZ2 4.31Å; I18-W115 HydrophobicContact CG2-CZ3 3.92Å; I18-F147 HydrophobicContact CD1-CZ 4.33Å; I18-I150 HydrophobicContact CG1-CG2 4.05Å; I18-V155 HydrophobicContact CG1-CG2 4.25Å; I18-V155 HydrophobicContact CG2-CG1 3.82Å; I18-V155 HydrophobicContact CG2-CG2 4.39Å
19	A	97.6	Very high	95.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-42.1	177.7	0	0	0	0	0	111.8	A15 K16 I21 L22 S23 L27 Y40 F42 F55	A15-A19 WeakPolarHBondContact O-CB 3.36Å; A15-A19 PolarHBondContact O-N 3.27Å; K16-A19 PolarHBondContact O-N 3.32Å; A19-I21 VanDerWaalsContact C-N 3.33Å; A19-I21 PolarHBondContact O-N 3.32Å; A19-L22 PolarHBondContact O-N 3.43Å; A19-S23 VanDerWaalsContact O-CB 3.24Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.22Å; A19-S23 PolarHBondContact O-OG 3.42Å; A19-L27 HydrophobicContact CB-CD2 3.95Å; A19-Y40 HydrophobicContact CB-CD2 4.48Å; A19-Y40 HydrophobicContact CB-CG 4.22Å; A19-F42 HydrophobicContact CB-CE1 3.97Å; A19-F55 HydrophobicContact CB-CB 3.99Å; A19-F55 HydrophobicContact CB-CD1 4.42Å; A19-F55 HydrophobicContact CB-CD2 4.23Å; A19-F55 HydrophobicContact CB-CG 3.95Å
20	Q	96.2	Very high	95.3	Very high	93 Å²	93	58.6 Å²	58.6	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-41.1	176.5	-77.4	178.8	-30.1	0	0	112.5	K16 G17 I18 S23 R24 G25 L27	K16-Q20 HydrophobicContact CG-CG 4.45Å; K16-Q20 WeakPolarHBondContact O-CB 3.47Å; K16-Q20 WeakPolarHBondContact O-CG 3.28Å; K16-Q20 PolarHBondContact O-N 3.08Å; G17-Q20 PolarHBondContact O-N 2.88Å; I18-Q20 VanDerWaalsContact C-N 3.34Å; I18-Q20 PolarHBondContact O-N 3.35Å; Q20-S23 PolarHBondContact O-OG 3.22Å; Q20-R24 PolarHBondContact O-N 3.18Å; Q20-G25 PolarHBondContact O-N 3.35Å; Q20-L27 HydrophobicContact CB-CD2 4.45Å; Q20-L27 HydrophobicContact CG-CD2 3.76Å
21	I	94.7	Very high	95.4	Very high	33 Å²	33	62.2 Å²	62.2	17%	0.169	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-51.4	176.5	-72.7	165.7	0	0	0	111.4	G17 I18 A19 R24 I150 R152 V155	G17-I21 WeakPolarHBondContact O-CG1 3.5Å; G17-I21 PolarHBondContact O-N 2.67Å; G17-I21 VanDerWaalsContact O-N 3.1Å; I18-I21 WeakPolarHBondContact O-CB 3.08Å; I18-I21 PolarHBondContact O-N 3.12Å; A19-I21 VanDerWaalsContact C-N 3.33Å; A19-I21 PolarHBondContact O-N 3.32Å; I21-R24 PolarHBondContact O-N 3.13Å; I21-I150 HydrophobicContact CD1-CG2 3.95Å; I21-R152 HydrophobicContact CG2-CB 4.07Å; I21-R152 HydrophobicContact CG2-CG 4.16Å; I21-V155 HydrophobicContact CD1-CG2 4.12Å; I21-V155 HydrophobicContact CG2-CB 4.06Å; I21-V155 HydrophobicContact CG2-CG1 3.99Å
22	L	96.7	Very high	95.4	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-42.1	-174.3	-71.4	177.6	0	0	0	112.5	I18 A19 R24 F42 Y44 F55 W115 V155 L156 L159	I18-L22 HydrophobicContact CG2-CD1 4.05Å; I18-L22 PolarHBondContact O-N 3.45Å; A19-L22 PolarHBondContact O-N 3.43Å; L22-R24 PolarHBondContact O-N 3.02Å; L22-F42 HydrophobicContact CB-CE2 3.8Å; L22-F42 HydrophobicContact CB-CZ 3.58Å; L22-F42 HydrophobicContact CD1-CZ 4.3Å; L22-Y44 HydrophobicContact CB-CE2 4.34Å; L22-Y44 HydrophobicContact CD2-CE2 4.33Å; L22-F55 HydrophobicContact CD1-CE2 3.85Å; L22-F55 HydrophobicContact CD1-CZ 3.58Å; L22-W115 HydrophobicContact CD1-CZ2 4.3Å; L22-V155 HydrophobicContact CD1-CG1 4.14Å; L22-V155 HydrophobicContact CD2-CG1 3.64Å; L22-V155 HydrophobicContact CG-CG1 3.68Å; L22-L156 HydrophobicContact CD2-CD2 3.84Å; L22-L159 HydrophobicContact CD1-CD2 4.34Å; L22-L159 HydrophobicContact CD2-CD2 3.86Å
23	S	96.5	Very high	95.4	Very high	13 Å²	13	64 Å²	64	9%	0.091	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.1	176.7	62.5	0	0	0	0	114.4	A19 Q20 G25 H26	A19-S23 VanDerWaalsContact O-CB 3.24Å; A19-S23 WeakPolarHBondContact O-CB 3.4Å; A19-S23 PolarHBondContact O-N 3.22Å; A19-S23 PolarHBondContact O-OG 3.42Å; Q20-S23 PolarHBondContact O-OG 3.22Å; S23-G25 PolarHBondContact O-N 3.16Å; S23-G25 PolarHBondContact OG-N 2.84Å; S23-H26 WeakPolarHBondContact O-CB 3.35Å; S23-H26 PolarHBondContact O-N 3.31Å
24	R	94.1	Very high	95.6	Very high	186 Å²	186	59.9 Å²	59.9	70%	0.702	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.4	-169.3	-50.3	-179.4	-175.6	-172.7	0.3	112	Q20 I21 L22 H26	Q20-R24 PolarHBondContact O-N 3.18Å; I21-R24 PolarHBondContact O-N 3.13Å; L22-R24 PolarHBondContact O-N 3.02Å; R24-H26 VanDerWaalsContact C-N 3.3Å; R24-H26 PolarHBondContact O-N 2.97Å
25	G	91.3	Very high	95.7	Very high	52 Å²	52	68.2 Å²	68.2	54%	0.536	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-10.4	-176.6	0	0	0	0	0	115.4	Q20 S23 L27	Q20-G25 PolarHBondContact O-N 3.35Å; S23-G25 PolarHBondContact O-N 3.16Å; S23-G25 PolarHBondContact OG-N 2.84Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 3.15Å; G25-L27 VanDerWaalsContact O-N 3.13Å
26	H	94.6	Very high	95.6	Very high	159 Å²	159	74.4 Å²	74.4	74%	0.736	35%	0.35	S	S	*	.			trans	-88.9	67.7	179.8	-61.9	-74.8	0	0	0	111.6	S23 R24 F42	S23-H26 WeakPolarHBondContact O-CB 3.35Å; S23-H26 PolarHBondContact O-N 3.31Å; R24-H26 VanDerWaalsContact C-N 3.3Å; R24-H26 PolarHBondContact O-N 2.97Å; H26-F42 WeakPolarHBondContact O-CB 3.22Å
27	L	95.7	Very high	95.7	Very high	44 Å²	44	70.5 Å²	70.5	23%	0.23	33%	0.333	C	S	.	.			trans	-118.2	150.9	175.8	66	82.5	0	0	0	111.7	A19 Q20 G25 Y40 E41 F42	A19-L27 HydrophobicContact CB-CD2 3.95Å; Q20-L27 HydrophobicContact CB-CD2 4.45Å; Q20-L27 HydrophobicContact CG-CD2 3.76Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 3.15Å; G25-L27 VanDerWaalsContact O-N 3.13Å; L27-Y40 HydrophobicContact CD1-CD1 3.68Å; L27-Y40 HydrophobicContact CD1-CG 4.45Å; L27-Y40 HydrophobicContact CD2-CD1 4.42Å; L27-E41 WeakPolarHBondContact CA-O 3.48Å; L27-F42 HydrophobicContact CB-CB 4.39Å; L27-F42 HydrophobicContact CB-CD1 4.14Å
28	N	96.7	Very high	95.9	Very high	94 Å²	94	71.6 Å²	71.6	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.1	169.5	-172.1	13.1	0	0	0	109.6	E41	N28-E41 PolarHBondContact N-O 3.38Å; N28-E41 PolarHBondContact O-N 3.11Å
29	R	97.1	Very high	95.9	Very high	157 Å²	157	72 Å²	72	59%	0.592	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	126	175.6	-170.9	-172.7	85.1	-161.9	5.3	109.7	E31 K38 L39 Y40	R29-E31 IonicContact NH2-OE1 3.25Å; R29-K38 HydrophobicContact CG-CB 4.29Å; R29-L39 CarbonylContact C-O 3.37Å; R29-L39 WeakPolarHBondContact CA-O 3.05Å; R29-Y40 HydrophobicContact CB-CD1 4.4Å; R29-Y40 HydrophobicContact CG-CD1 4.14Å; R29-Y40 HydrophobicContact CG-CE1 3.89Å
30	K	96.8	Very high	96	Very high	84 Å²	84	72.5 Å²	72.5	37%	0.365	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	161.6	169.4	-66.5	-171.5	-167	159.5	0	111.6	L39 E41	K30-L39 HydrophobicContact CB-CB 4.01Å; K30-L39 PolarHBondContact N-O 3.11Å; K30-L39 PolarHBondContact O-N 2.87Å; K30-E41 VanDerWaalsContact CD-OE1 3.29Å; K30-E41 WeakPolarHBondContact CD-OE1 3.37Å; K30-E41 WeakPolarHBondContact CE-OE1 3.33Å; K30-E41 WeakPolarHBondContact CE-OE2 3.49Å; K30-E41 IonicContact NZ-OE1 2.63Å; K30-E41 PolarHBondContact NZ-OE1 3.49Å; K30-E41 IonicContact NZ-OE2 3.78Å; K30-E41 PolarHBondContact NZ-OE2 3.08Å
31	E	96.5	Very high	96.1	Very high	97 Å²	97	68.9 Å²	68.9	45%	0.453	32%	0.321	S	S	.	.			trans	-88	135.8	175.9	-67	-61.5	153	0	0	110.3	R29 K38	R29-E31 IonicContact NH2-OE1 3.25Å; E31-K38 IonicContact OE1-NZ 3.87Å; E31-K38 PolarHBondContact OE1-NZ 2.9Å; E31-K38 WeakPolarHBondContact OE2-CD 3.19Å; E31-K38 IonicContact OE2-NZ 3.62Å; E31-K38 PolarHBondContact OE2-NZ 3.21Å
32	G	94.1	Very high	96.2	Very high	19 Å²	19	67.8 Å²	67.8	20%	0.196	32%	0.315	C	S	.	.			trans	-87.4	-173	164.1	0	0	0	0	0	110.8	S34	G32-S34 VanDerWaalsContact C-N 3.29Å
33	F	97	Very high	96.2	Very high	107 Å²	107	72.8 Å²	72.8	47%	0.469	34%	0.342	S	S	.	.	S	Bend	trans	-73.9	-25.5	171.8	-63.9	-78.4	0	0	0	111.6	P97 R100 T101	F33-P97 HydrophobicContact CB-CB 4.03Å; F33-P97 WeakPolarHBondContact CB-O 3.37Å; F33-R100 HydrophobicContact CD2-CB 3.89Å; F33-R100 HydrophobicContact CD2-CG 3.71Å; F33-R100 HydrophobicContact CE2-CB 4.35Å; F33-R100 HydrophobicContact CE2-CG 3.71Å; F33-R100 HydrophobicContact CG-CB 4.33Å; F33-R100 HydrophobicContact CG-CG 4.21Å; F33-R100 HydrophobicContact CZ-CG 4.18Å; F33-T101 WeakPolarHBondContact CD2-OG1 3.4Å; F33-T101 PolarHBondContact N-OG1 2.89Å
34	S	96.2	Very high	96.2	Very high	11 Å²	11	74.7 Å²	74.7	8%	0.077	35%	0.347	C	S	.	.	S	Bend	trans	-84.6	130.4	167.5	173.2	0	0	0	0	110.4	G32 F36 N37	G32-S34 VanDerWaalsContact C-N 3.29Å; S34-F36 PolarHBondContact O-N 2.82Å; S34-F36 PolarHBondContact OG-N 3.48Å; S34-N37 VanDerWaalsContact CB-OD1 3.31Å; S34-N37 WeakPolarHBondContact CB-OD1 3.43Å; S34-N37 PolarHBondContact O-N 3.28Å; S34-N37 PolarHBondContact OG-N 2.95Å; S34-N37 PolarHBondContact OG-OD1 2.84Å
35	R	94.5	Very high	96.2	Very high	177 Å²	177	69 Å²	69	67%	0.668	33%	0.333	S	S	*	.	S	Bend	trans	-65.8	-16.7	174.7	67.4	-178.8	178.7	-177.1	-2.2	113.8	K38	R35-K38 WeakPolarHBondContact O-CE 3.36Å; R35-K38 PolarHBondContact O-NZ 3.18Å
36	F	94.8	Very high	96.3	Very high	130 Å²	130	67.9 Å²	67.9	57%	0.57	32%	0.315	S	S	*	.	S	Bend	trans	-100.5	-23.2	-176	-57.3	-65.9	0	0	0	113	N12 S34	N12-F36 VanDerWaalsContact CB-O 3.31Å; N12-F36 WeakPolarHBondContact CB-O 3.5Å; N12-F36 PolarHBondContact OD1-O 3.44Å; S34-F36 PolarHBondContact O-N 2.82Å; S34-F36 PolarHBondContact OG-N 3.48Å
37	N	97.6	Very high	96	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	-110	97.8	-176.3	-50.5	81.9	0	0	0	109.1	S34 S57 V58 S59 I98	S34-N37 VanDerWaalsContact CB-OD1 3.31Å; S34-N37 WeakPolarHBondContact CB-OD1 3.43Å; S34-N37 PolarHBondContact O-N 3.28Å; S34-N37 PolarHBondContact OG-N 2.95Å; S34-N37 PolarHBondContact OG-OD1 2.84Å; N37-S57 PolarHBondContact ND2-O 2.92Å; N37-S57 PolarHBondContact ND2-OG 3.42Å; N37-S57 VanDerWaalsContact ND2-OG 3.16Å; N37-V58 PolarHBondContact ND2-O 3.29Å; N37-S59 PolarHBondContact ND2-OG 3.11Å; N37-I98 HydrophobicContact CB-CG1 4.47Å; N37-I98 WeakPolarHBondContact OD1-CD1 3.41Å; N37-I98 WeakPolarHBondContact OD1-CG1 3.49Å
38	K	97.9	Very high	95.7	Very high	38 Å²	38	68.7 Å²	68.7	17%	0.165	34%	0.337	C	S	.	.			trans	-80.8	166.9	-177.1	-51.7	-59.7	173.6	176.6	0	110.8	N12 R29 E31 R35 Y40 S56	N12-K38 PolarHBondContact OD1-N 3.36Å; R29-K38 HydrophobicContact CG-CB 4.29Å; E31-K38 IonicContact OE1-NZ 3.87Å; E31-K38 PolarHBondContact OE1-NZ 2.9Å; E31-K38 WeakPolarHBondContact OE2-CD 3.19Å; E31-K38 IonicContact OE2-NZ 3.62Å; E31-K38 PolarHBondContact OE2-NZ 3.21Å; R35-K38 WeakPolarHBondContact O-CE 3.36Å; R35-K38 PolarHBondContact O-NZ 3.18Å; K38-Y40 HydrophobicContact CB-CE1 4.19Å; K38-Y40 HydrophobicContact CB-CE2 3.99Å; K38-S56 PolarHBondContact O-OG 2.94Å
39	L	98.4	Very high	95.5	Very high	9 Å²	9	72.9 Å²	72.9	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.4	167.5	-67	169.9	0	0	0	109	R29 K30 V54 F55 T101 E105	R29-L39 CarbonylContact C-O 3.37Å; R29-L39 WeakPolarHBondContact CA-O 3.05Å; K30-L39 HydrophobicContact CB-CB 4.01Å; K30-L39 PolarHBondContact N-O 3.11Å; K30-L39 PolarHBondContact O-N 2.87Å; L39-V54 HydrophobicContact CD2-CG1 3.93Å; L39-F55 CarbonylContact C-O 3.59Å; L39-F55 VanDerWaalsContact CA-O 3.3Å; L39-F55 WeakPolarHBondContact CA-O 3.45Å; L39-T101 HydrophobicContact CD2-CG2 4.04Å; L39-T101 HydrophobicContact CG-CG2 4.49Å; L39-E105 HydrophobicContact CD1-CG 4.43Å; L39-E105 HydrophobicContact CD2-CG 4.16Å
40	Y	98.4	Very high	95.4	Very high	10 Å²	10	71.8 Å²	71.8	4%	0.039	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	109.3	176.6	-53.5	-76.9	0	0	0	108.8	N12 A15 K16 A19 L27 R29 K38 F55	N12-Y40 PolarHBondContact ND2-OH 2.81Å; N12-Y40 VanDerWaalsContact ND2-OH 3.12Å; A15-Y40 HydrophobicContact CB-CD2 4.43Å; A15-Y40 HydrophobicContact CB-CE2 4.32Å; K16-Y40 HydrophobicContact CB-CE1 4.31Å; K16-Y40 HydrophobicContact CB-CE2 3.82Å; K16-Y40 HydrophobicContact CG-CE1 4.09Å; K16-Y40 HydrophobicContact CG-CE2 4.48Å; A19-Y40 HydrophobicContact CB-CD2 4.48Å; A19-Y40 HydrophobicContact CB-CG 4.22Å; L27-Y40 HydrophobicContact CD1-CD1 3.68Å; L27-Y40 HydrophobicContact CD1-CG 4.45Å; L27-Y40 HydrophobicContact CD2-CD1 4.42Å; R29-Y40 HydrophobicContact CB-CD1 4.4Å; R29-Y40 HydrophobicContact CG-CD1 4.14Å; R29-Y40 HydrophobicContact CG-CE1 3.89Å; K38-Y40 HydrophobicContact CB-CE1 4.19Å; K38-Y40 HydrophobicContact CB-CE2 3.99Å; Y40-F55 HydrophobicContact CD2-CB 4.41Å; Y40-F55 PolarHBondContact N-O 2.89Å; Y40-F55 PolarHBondContact O-N 3.47Å
41	E	98.1	Very high	95.3	Very high	16 Å²	16	68.1 Å²	68.1	8%	0.075	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.9	-174.4	-60.8	-175.4	-166.2	0	0	111.8	L27 N28 K30 R52 M53 V54	L27-E41 WeakPolarHBondContact CA-O 3.48Å; N28-E41 PolarHBondContact N-O 3.38Å; N28-E41 PolarHBondContact O-N 3.11Å; K30-E41 VanDerWaalsContact CD-OE1 3.29Å; K30-E41 WeakPolarHBondContact CD-OE1 3.37Å; K30-E41 WeakPolarHBondContact CE-OE1 3.33Å; K30-E41 WeakPolarHBondContact CE-OE2 3.49Å; K30-E41 IonicContact NZ-OE1 2.63Å; K30-E41 PolarHBondContact NZ-OE1 3.49Å; K30-E41 IonicContact NZ-OE2 3.78Å; K30-E41 PolarHBondContact NZ-OE2 3.08Å; E41-R52 IonicContact OE2-NH1 2.92Å; E41-M53 VanDerWaalsContact CA-O 3.3Å; E41-M53 WeakPolarHBondContact CA-O 3.26Å; E41-V54 HydrophobicContact CG-CG1 4.32Å; E41-V54 HydrophobicContact CG-CG2 4.17Å
42	F	97.7	Very high	95.4	Very high	11 Å²	11	68.1 Å²	68.1	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	157.3	172	56.2	-83.9	0	0	0	110.4	A19 L22 H26 L27 Y44 M53 F55	A19-F42 HydrophobicContact CB-CE1 3.97Å; L22-F42 HydrophobicContact CB-CE2 3.8Å; L22-F42 HydrophobicContact CB-CZ 3.58Å; L22-F42 HydrophobicContact CD1-CZ 4.3Å; H26-F42 WeakPolarHBondContact O-CB 3.22Å; L27-F42 HydrophobicContact CB-CB 4.39Å; L27-F42 HydrophobicContact CB-CD1 4.14Å; F42-Y44 HydrophobicContact CD2-CD2 4.31Å; F42-Y44 AromaticContact CE2-CD2 3.81Å; F42-Y44 HydrophobicContact CE2-CD2 3.81Å; F42-Y44 HydrophobicContact CE2-CG 4.23Å; F42-M53 HydrophobicContact CD1-CB 4.3Å; F42-M53 HydrophobicContact CD2-CB 4.12Å; F42-M53 HydrophobicContact CD2-CG 4.37Å; F42-M53 HydrophobicContact CE1-CB 3.92Å; F42-M53 HydrophobicContact CE2-CB 3.72Å; F42-M53 HydrophobicContact CE2-CG 3.76Å; F42-M53 HydrophobicContact CG-CB 4.4Å; F42-M53 HydrophobicContact CZ-CB 3.61Å; F42-M53 HydrophobicContact CZ-CG 3.96Å; F42-M53 PolarHBondContact N-O 2.84Å; F42-M53 VanDerWaalsContact N-O 3.14Å; F42-M53 PolarHBondContact O-N 2.85Å; F42-F55 AromaticContact CE1-CD2 3.74Å; F42-F55 HydrophobicContact CE1-CD2 3.74Å; F42-F55 HydrophobicContact CE1-CE2 4.06Å; F42-F55 AromaticContact CZ-CD2 3.98Å; F42-F55 HydrophobicContact CZ-CD2 3.98Å; F42-F55 AromaticContact CZ-CE2 3.81Å; F42-F55 HydrophobicContact CZ-CE2 3.81Å
43	D	96.9	Very high	95.6	Very high	111 Å²	111	67.2 Å²	67.2	59%	0.594	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.5	174.9	-58.1	-33.7	0	0	0	109.7	C51 R52	D43-C51 WeakPolarHBondContact CA-O 3.17Å; D43-R52 IonicContact OD1-NE 2.81Å; D43-R52 PolarHBondContact OD1-NE 2.98Å; D43-R52 IonicContact OD1-NH2 3.32Å
44	Y	96.1	Very high	95.6	Very high	53 Å²	53	62.3 Å²	62.3	21%	0.208	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.6	-176.1	-160.6	-95.4	0	0	0	111.1	L22 F42 Q50 C51 M53 L159	L22-Y44 HydrophobicContact CB-CE2 4.34Å; L22-Y44 HydrophobicContact CD2-CE2 4.33Å; F42-Y44 HydrophobicContact CD2-CD2 4.31Å; F42-Y44 AromaticContact CE2-CD2 3.81Å; F42-Y44 HydrophobicContact CE2-CD2 3.81Å; F42-Y44 HydrophobicContact CE2-CG 4.23Å; Y44-Q50 PolarHBondContact O-OE1 2.88Å; Y44-C51 PolarHBondContact N-O 2.86Å; Y44-C51 PolarHBondContact O-N 3.12Å; Y44-C51 VanDerWaalsContact O-O 3.09Å; Y44-C51 PolarHBondContact O-SG 2.92Å; Y44-M53 HydrophobicContact CD1-CE 3.64Å; Y44-M53 HydrophobicContact CE1-CE 4.36Å; Y44-M53 HydrophobicContact CG-CE 4.07Å; Y44-M53 HydrophobicContact CG-CG 4.25Å; Y44-L159 HydrophobicContact CD1-CD2 4.15Å; Y44-L159 HydrophobicContact CE1-CD2 3.35Å
45	T	94.7	Very high	95.7	Very high	66 Å²	66	61.8 Å²	61.8	41%	0.405	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.5	172.9	-52	0	0	0	0	109.5	R49 Q50	T45-R49 WeakPolarHBondContact CA-O 3.41Å; T45-Q50 PolarHBondContact OG1-NE2 2.77Å; T45-Q50 PolarHBondContact OG1-OE1 2.87Å
46	L	92.3	Very high	95.9	Very high	28 Å²	28	53.5 Å²	53.5	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.8	178.2	-174.2	64.2	0	0	0	108.8	V5 G48 R49 M53 I113 L159	V5-L46 HydrophobicContact CG2-CD2 4.46Å; L46-G48 PolarHBondContact O-N 2.71Å; L46-G48 VanDerWaalsContact O-N 3.17Å; L46-R49 PolarHBondContact N-O 3.32Å; L46-R49 PolarHBondContact O-N 3.46Å; L46-M53 HydrophobicContact CB-CE 4.25Å; L46-M53 HydrophobicContact CD1-CE 4.35Å; L46-M53 HydrophobicContact CD2-CE 4.18Å; L46-I113 HydrophobicContact CD2-CD1 4.08Å; L46-L159 HydrophobicContact CD1-CD1 3.69Å; L46-L159 HydrophobicContact CD1-CD2 4.18Å; L46-L159 HydrophobicContact CD1-CG 3.73Å
47	E	88.6	Confident	96.1	Very high	150 Å²	150	47.3 Å²	47.3	70%	0.701	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	41.7	-178.5	-59.9	179.6	164.1	0	0	113	R49	E47-R49 PolarHBondContact O-N 3.37Å
48	G	89.4	Confident	96.1	Very high	71 Å²	71	47.1 Å²	47.1	73%	0.732	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	0.8	-178.9	0	0	0	0	0	115.4	L46	L46-G48 PolarHBondContact O-N 2.71Å; L46-G48 VanDerWaalsContact O-N 3.17Å
49	R	91.6	Very high	95.9	Very high	182 Å²	182	47.9 Å²	47.9	69%	0.687	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.2	179.6	-62.9	179.5	178.7	178.5	0.4	111.2	T45 L46 E47 C51	T45-R49 WeakPolarHBondContact CA-O 3.41Å; L46-R49 PolarHBondContact N-O 3.32Å; L46-R49 PolarHBondContact O-N 3.46Å; E47-R49 PolarHBondContact O-N 3.37Å; R49-C51 PolarHBondContact O-N 2.76Å
50	Q	95.3	Very high	95.6	Very high	133 Å²	133	48.1 Å²	48.1	62%	0.621	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	132	172	-65.7	-61.8	-16.7	0	0	110.2	Y44 T45	Y44-Q50 PolarHBondContact O-OE1 2.88Å; T45-Q50 PolarHBondContact OG1-NE2 2.77Å; T45-Q50 PolarHBondContact OG1-OE1 2.87Å
51	C	96.3	Very high	95.4	Very high	7 Å²	7	50 Å²	50	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.4	179.8	68.7	0	0	0	0	110.9	N3 V5 D43 Y44 R49	N3-C51 HydrophobicContact CB-CB 4.17Å; N3-C51 CarbonylContact O-C 3.58Å; N3-C51 WeakPolarHBondContact O-CA 3.49Å; N3-C51 WeakPolarHBondContact O-CB 3.35Å; V5-C51 HydrophobicContact CG2-CB 4.01Å; D43-C51 WeakPolarHBondContact CA-O 3.17Å; Y44-C51 PolarHBondContact N-O 2.86Å; Y44-C51 PolarHBondContact O-N 3.12Å; Y44-C51 VanDerWaalsContact O-O 3.09Å; Y44-C51 PolarHBondContact O-SG 2.92Å; R49-C51 PolarHBondContact O-N 2.76Å
52	R	97.5	Very high	95.1	Very high	98 Å²	98	49.2 Å²	49.2	37%	0.37	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.2	167.1	175.7	168.9	-80.3	-178.9	-7	108.4	N3 V4 V5 E41 D43 V54	N3-R52 PolarHBondContact O-N 3.12Å; V4-R52 WeakPolarHBondContact CA-O 3.43Å; V5-R52 PolarHBondContact N-O 3.36Å; E41-R52 IonicContact OE2-NH1 2.92Å; D43-R52 IonicContact OD1-NE 2.81Å; D43-R52 PolarHBondContact OD1-NE 2.98Å; D43-R52 IonicContact OD1-NH2 3.32Å; R52-V54 HydrophobicContact CG-CG2 4.21Å
53	M	97.8	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.4	171.8	-66.8	-68.8	-163.8	0	0	108.9	V5 N7 E41 F42 Y44 L46 F55 L159	V5-M53 HydrophobicContact CB-SD 3.92Å; V5-M53 HydrophobicContact CG1-SD 4.05Å; N7-M53 PolarHBondContact ND2-SD 2.97Å; E41-M53 VanDerWaalsContact CA-O 3.3Å; E41-M53 WeakPolarHBondContact CA-O 3.26Å; F42-M53 HydrophobicContact CD1-CB 4.3Å; F42-M53 HydrophobicContact CD2-CB 4.12Å; F42-M53 HydrophobicContact CD2-CG 4.37Å; F42-M53 HydrophobicContact CE1-CB 3.92Å; F42-M53 HydrophobicContact CE2-CB 3.72Å; F42-M53 HydrophobicContact CE2-CG 3.76Å; F42-M53 HydrophobicContact CG-CB 4.4Å; F42-M53 HydrophobicContact CZ-CB 3.61Å; F42-M53 HydrophobicContact CZ-CG 3.96Å; F42-M53 PolarHBondContact N-O 2.84Å; F42-M53 VanDerWaalsContact N-O 3.14Å; F42-M53 PolarHBondContact O-N 2.85Å; Y44-M53 HydrophobicContact CD1-CE 3.64Å; Y44-M53 HydrophobicContact CE1-CE 4.36Å; Y44-M53 HydrophobicContact CG-CE 4.07Å; Y44-M53 HydrophobicContact CG-CG 4.25Å; L46-M53 HydrophobicContact CB-CE 4.25Å; L46-M53 HydrophobicContact CD1-CE 4.35Å; L46-M53 HydrophobicContact CD2-CE 4.18Å; M53-F55 HydrophobicContact CB-CD2 4.27Å; M53-F55 HydrophobicContact CB-CE2 4.22Å; M53-L159 HydrophobicContact CE-CD1 4.16Å; M53-L159 HydrophobicContact CE-CD2 4.2Å
54	V	98.3	Very high	94.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	99.6	173.3	-177.8	0	0	0	0	107.6	V4 V5 L6 N7 L39 E41 R52 E105	V4-V54 HydrophobicContact CG1-CG2 3.78Å; V5-V54 PolarHBondContact O-N 3.45Å; L6-V54 HydrophobicContact CD1-CG1 4.42Å; N7-V54 PolarHBondContact N-O 3.12Å; L39-V54 HydrophobicContact CD2-CG1 3.93Å; E41-V54 HydrophobicContact CG-CG1 4.32Å; E41-V54 HydrophobicContact CG-CG2 4.17Å; R52-V54 HydrophobicContact CG-CG2 4.21Å; V54-E105 HydrophobicContact CG1-CG 4.48Å
55	F	98.4	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.4	176.2	-87.8	-100.7	0	0	0	110.9	N7 I18 A19 L22 L39 Y40 F42 M53 W115	N7-F55 HydrophobicContact CB-CB 4.45Å; N7-F55 HydrophobicContact CB-CD1 3.57Å; N7-F55 HydrophobicContact CB-CD2 3.64Å; N7-F55 HydrophobicContact CB-CE1 3.51Å; N7-F55 HydrophobicContact CB-CE2 3.59Å; N7-F55 HydrophobicContact CB-CG 3.63Å; N7-F55 HydrophobicContact CB-CZ 3.51Å; N7-F55 VanDerWaalsContact CG-CZ 3.49Å; N7-F55 CarbonylContact O-C 3.58Å; N7-F55 WeakPolarHBondContact O-CA 3.46Å; N7-F55 WeakPolarHBondContact OD1-CZ 3.43Å; I18-F55 HydrophobicContact CB-CE1 4.1Å; I18-F55 HydrophobicContact CG2-CD1 4.4Å; I18-F55 HydrophobicContact CG2-CE1 3.47Å; I18-F55 VanDerWaalsContact CG2-CE1 3.47Å; I18-F55 HydrophobicContact CG2-CZ 3.8Å; A19-F55 HydrophobicContact CB-CB 3.99Å; A19-F55 HydrophobicContact CB-CD1 4.42Å; A19-F55 HydrophobicContact CB-CD2 4.23Å; A19-F55 HydrophobicContact CB-CG 3.95Å; L22-F55 HydrophobicContact CD1-CE2 3.85Å; L22-F55 HydrophobicContact CD1-CZ 3.58Å; L39-F55 CarbonylContact C-O 3.59Å; L39-F55 VanDerWaalsContact CA-O 3.3Å; L39-F55 WeakPolarHBondContact CA-O 3.45Å; Y40-F55 HydrophobicContact CD2-CB 4.41Å; Y40-F55 PolarHBondContact N-O 2.89Å; Y40-F55 PolarHBondContact O-N 3.47Å; F42-F55 AromaticContact CE1-CD2 3.74Å; F42-F55 HydrophobicContact CE1-CD2 3.74Å; F42-F55 HydrophobicContact CE1-CE2 4.06Å; F42-F55 AromaticContact CZ-CD2 3.98Å; F42-F55 HydrophobicContact CZ-CD2 3.98Å; F42-F55 AromaticContact CZ-CE2 3.81Å; F42-F55 HydrophobicContact CZ-CE2 3.81Å; M53-F55 HydrophobicContact CB-CD2 4.27Å; M53-F55 HydrophobicContact CB-CE2 4.22Å; F55-W115 AromaticContact CE1-CD1 3.76Å; F55-W115 HydrophobicContact CE1-CD2 4.22Å; F55-W115 AromaticContact CE1-CE2 3.99Å; F55-W115 HydrophobicContact CE1-CG 4.07Å; F55-W115 AromaticContact CE1-NE1 3.67Å; F55-W115 AromaticContact CZ-CE2 3.89Å; F55-W115 HydrophobicContact CZ-CZ2 4.26Å; F55-W115 AromaticContact CZ-NE1 3.58Å
56	S	98.2	Very high	94.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	-172.3	168.4	-155.7	0	0	0	0	110.3	N7 A9 A15 K38	N7-S56 PolarHBondContact O-N 3.17Å; A9-S56 PolarHBondContact N-O 3.16Å; A15-S56 VanDerWaalsContact CB-O 3.29Å; A15-S56 WeakPolarHBondContact CB-O 3.47Å; K38-S56 PolarHBondContact O-OG 2.94Å
57	S	98.3	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.9	178.5	56.5	0	0	0	0	112.5	A9 K11 N12 N37	A9-S57 CarbonylContact O-C 3.58Å; A9-S57 WeakPolarHBondContact O-CA 3.15Å; A9-S57 WeakPolarHBondContact O-CB 3.13Å; K11-S57 VanDerWaalsContact C-CB 3.41Å; K11-S57 WeakPolarHBondContact O-CB 3.41Å; N12-S57 WeakPolarHBondContact CA-OG 3.13Å; N12-S57 WeakPolarHBondContact CB-OG 3.43Å; N12-S57 PolarHBondContact N-OG 3.25Å; N37-S57 PolarHBondContact ND2-O 2.92Å; N37-S57 PolarHBondContact ND2-OG 3.42Å; N37-S57 VanDerWaalsContact ND2-OG 3.16Å
58	V	97.4	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.			trans	-94.6	-165.6	160.2	-57.8	0	0	0	0	110.3	V8 A9 E10 N37 G60 L62 I98 L102 I125 I129	V8-V58 HydrophobicContact CG1-CG1 4.03Å; A9-V58 PolarHBondContact O-N 2.74Å; E10-V58 CarbonylContact O-C 3.55Å; E10-V58 WeakPolarHBondContact O-CG2 3.44Å; N37-V58 PolarHBondContact ND2-O 3.29Å; V58-G60 VanDerWaalsContact CG2-O 3.28Å; V58-G60 WeakPolarHBondContact CG2-O 3.33Å; V58-L62 HydrophobicContact CB-CD2 4.14Å; V58-L62 HydrophobicContact CB-CG 4.12Å; V58-L62 HydrophobicContact CG1-CD1 3.65Å; V58-L62 HydrophobicContact CG1-CD2 3.77Å; V58-L62 HydrophobicContact CG1-CG 3.69Å; V58-I98 HydrophobicContact CG1-CG2 4.17Å; V58-L102 HydrophobicContact CG1-CD1 4.02Å; V58-I125 HydrophobicContact CG2-CG2 3.69Å; V58-I129 HydrophobicContact CG1-CD1 3.94Å; V58-I129 HydrophobicContact CG1-CG1 3.78Å; V58-I129 HydrophobicContact CG2-CD1 4.23Å
59	S	94.9	Very high	94.7	Very high	54 Å²	54	39.8 Å²	39.8	38%	0.378	20%	0.203	S	C	.	.			trans	-138.2	60.6	176.4	-67.8	0	0	0	0	109.5	E10 N37 M95	E10-S59 PolarHBondContact O-N 3.16Å; N37-S59 PolarHBondContact ND2-OG 3.11Å; S59-M95 VanDerWaalsContact O-CE 3.25Å; S59-M95 WeakPolarHBondContact O-CE 3.39Å
60	G	92.4	Very high	94.5	Very high	15 Å²	15	33.9 Å²	33.9	16%	0.155	19%	0.193	C	C	.	.	S	Bend	trans	78	-151.7	-164.3	0	0	0	0	0	111.7	E10 V58 L62	E10-G60 PolarHBondContact O-N 2.85Å; V58-G60 VanDerWaalsContact CG2-O 3.28Å; V58-G60 WeakPolarHBondContact CG2-O 3.33Å; G60-L62 PolarHBondContact O-N 3.08Å
61	H	94	Very high	94.4	Very high	49 Å²	49	30 Å²	30	23%	0.227	17%	0.174	C	C	.	.			trans	-55.7	128.7	177.2	-76.2	-85.4	0	0	0	112.5	E121 N124 E128	H61-E121 IonicContact CE1-OE2 2.77Å; H61-E121 IonicContact NE2-OE2 3.09Å; H61-E121 PolarHBondContact NE2-OE2 3.34Å; H61-E121 VanDerWaalsContact NE2-OE2 3.11Å; H61-N124 PolarHBondContact CE1-OD1 2.89Å; H61-E128 IonicContact CE1-OE1 3.94Å; H61-E128 IonicContact CG-OE1 3.69Å; H61-E128 IonicContact ND1-OE1 2.76Å; H61-E128 PolarHBondContact ND1-OE1 3.23Å; H61-E128 IonicContact ND1-OE2 2.64Å
62	L	92.1	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-78.9	-35.3	171.8	-74.8	167.7	0	0	0	111.2	V58 G60 C91 N92 M95 I98 L102 E128 I129	V58-L62 HydrophobicContact CB-CD2 4.14Å; V58-L62 HydrophobicContact CB-CG 4.12Å; V58-L62 HydrophobicContact CG1-CD1 3.65Å; V58-L62 HydrophobicContact CG1-CD2 3.77Å; V58-L62 HydrophobicContact CG1-CG 3.69Å; G60-L62 PolarHBondContact O-N 3.08Å; L62-C91 WeakPolarHBondContact O-CA 3.39Å; L62-N92 PolarHBondContact O-N 2.85Å; L62-M95 HydrophobicContact CD2-CB 4.35Å; L62-I98 HydrophobicContact CD2-CB 4.24Å; L62-I98 HydrophobicContact CD2-CG2 3.88Å; L62-L102 HydrophobicContact CD1-CD1 3.7Å; L62-L102 HydrophobicContact CD2-CD1 4.45Å; L62-E128 WeakPolarHBondContact CB-OE2 3.38Å; L62-E128 HydrophobicContact CD1-CB 4.46Å; L62-E128 PolarHBondContact N-OE2 2.86Å; L62-I129 HydrophobicContact CD1-CG1 3.88Å
63	M	92.2	Very high	93.6	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.3	-173.3	-55.3	-58.3	-177.9	0	0	111	K89 E90 C91 L99 E128 V132	M63-K89 HydrophobicContact CB-CB 4.1Å; M63-K89 HydrophobicContact CB-CD 4.2Å; M63-K89 HydrophobicContact CB-CG 4.46Å; M63-K89 HydrophobicContact CG-CB 4.5Å; M63-E90 CarbonylContact C-O 3.6Å; M63-E90 WeakPolarHBondContact CA-O 3.42Å; M63-C91 HydrophobicContact SD-CB 3.85Å; M63-L99 HydrophobicContact CE-CD1 4.17Å; M63-E128 HydrophobicContact CB-CG 4.31Å; M63-E128 HydrophobicContact CG-CB 4.26Å; M63-E128 HydrophobicContact CG-CG 4.08Å; M63-E128 PolarHBondContact N-OE2 3.23Å; M63-E128 VanDerWaalsContact N-OE2 3.07Å; M63-V132 HydrophobicContact CE-CG2 3.26Å
64	N	91.9	Very high	93.3	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.2	166.6	-169.5	30.1	0	0	0	109	K89 E90 N92	N64-K89 CarbonylContact O-C 3.54Å; N64-K89 WeakPolarHBondContact O-CA 3.47Å; N64-E90 PolarHBondContact N-O 3Å; N64-E90 PolarHBondContact O-N 2.64Å; N64-N92 WeakPolarHBondContact CB-OD1 3.47Å
65	L	94.3	Very high	92.8	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.12	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.8	171.7	-173.8	69.3	0	0	0	108	L87 K89 M177 E178 L181	L65-L87 HydrophobicContact CD1-CB 3.94Å; L65-L87 HydrophobicContact CD1-CD1 4.46Å; L65-L87 HydrophobicContact CD2-CD1 4.05Å; L65-L87 HydrophobicContact CG-CB 4.43Å; L65-L87 HydrophobicContact CG-CD1 4.28Å; L65-K89 HydrophobicContact CD1-CG 3.97Å; L65-M177 HydrophobicContact CB-CE 4.26Å; L65-M177 HydrophobicContact CD2-CB 4.26Å; L65-E178 HydrophobicContact CD2-CB 3.95Å; L65-L181 HydrophobicContact CD2-CD2 4.31Å; L65-L181 HydrophobicContact CG-CD2 4.05Å
66	D	94.1	Very high	92.2	Very high	36 Å²	36	48.1 Å²	48.1	19%	0.193	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.9	177.3	-161.7	6	0	0	0	110.7	R72 L87 H88	D66-R72 IonicContact OD2-CZ 3.37Å; D66-R72 IonicContact OD2-NE 2.95Å; D66-R72 PolarHBondContact OD2-NE 3.3Å; D66-R72 VanDerWaalsContact OD2-NE 3.17Å; D66-R72 IonicContact OD2-NH1 3.18Å; D66-R72 IonicContact OD2-NH2 2.7Å; D66-L87 WeakPolarHBondContact O-CA 3.38Å; D66-H88 PolarHBondContact N-O 3.04Å; D66-H88 PolarHBondContact O-N 2.81Å
67	Y	94	Very high	91.8	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	152.6	169.9	-62.6	-84.1	0	0	0	111.5	R72 L82 A85 L87 H88 L181 R182 A185	Y67-R72 PolarHBondContact O-NE 3.22Å; Y67-R72 PolarHBondContact O-NH2 2.97Å; Y67-L82 HydrophobicContact CD1-CD2 4.15Å; Y67-L82 HydrophobicContact CE1-CB 4.14Å; Y67-L82 HydrophobicContact CE1-CD2 3.84Å; Y67-L82 HydrophobicContact CE2-CD2 4.42Å; Y67-L82 PolarHBondContact OH-O 3.46Å; Y67-A85 HydrophobicContact CD1-CB 3.72Å; Y67-A85 HydrophobicContact CE1-CB 3.84Å; Y67-L87 HydrophobicContact CD1-CD2 3.39Å; Y67-L87 HydrophobicContact CD2-CD2 4.34Å; Y67-L87 HydrophobicContact CE1-CD2 3.56Å; Y67-L87 HydrophobicContact CE2-CD2 4.48Å; Y67-L87 HydrophobicContact CG-CD2 3.81Å; Y67-H88 PolarHBondContact O-CE1 3.04Å; Y67-L181 HydrophobicContact CD2-CD1 4.48Å; Y67-L181 HydrophobicContact CE2-CD1 3.97Å; Y67-L181 HydrophobicContact CE2-CD2 4.31Å; Y67-L181 HydrophobicContact CE2-CG 3.93Å; Y67-R182 WeakPolarHBondContact OH-CA 3.46Å; Y67-A185 HydrophobicContact CE2-CB 3.75Å
68	T	91.1	Very high	91.6	Very high	40 Å²	40	52.5 Å²	52.5	25%	0.245	29%	0.292	C	S	.	.			trans	-58.1	155.1	165.1	59.7	0	0	0	0	111.3	A70 Y71 P86	T68-A70 PolarHBondContact O-N 2.98Å; T68-Y71 PolarHBondContact O-N 3.18Å; T68-Y71 WeakPolarHBondContact OG1-CD2 3.26Å; T68-P86 HydrophobicContact CG2-CB 4.17Å; T68-P86 HydrophobicContact CG2-CG 4.05Å; T68-P86 PolarHBondContact N-O 2.92Å
69	S	88	Confident	91.5	Very high	102 Å²	102	53.8 Å²	53.8	71%	0.713	30%	0.299	S	S	*	.	H	α-helix	trans	-52.4	-34.6	-170.4	53.1	0	0	0	0	114.5	Y71 R72	S69-Y71 PolarHBondContact O-N 3.38Å; S69-R72 PolarHBondContact O-N 3.37Å
70	A	89.1	Confident	91.5	Very high	58 Å²	58	54.3 Å²	54.3	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-26.6	179.1	0	0	0	0	0	114	T68 S76	T68-A70 PolarHBondContact O-N 2.98Å; A70-S76 PolarHBondContact O-OG 3.5Å
71	Y	92	Very high	91.6	Very high	53 Å²	53	57.5 Å²	57.5	21%	0.208	31%	0.308	C	S	.	.	H	α-helix	trans	-106.7	-3.4	-174.5	-61.5	-99.3	0	0	0	113	T68 S69 V77 Q81 L82 A85 P86 R189	T68-Y71 PolarHBondContact O-N 3.18Å; T68-Y71 WeakPolarHBondContact OG1-CD2 3.26Å; S69-Y71 PolarHBondContact O-N 3.38Å; Y71-V77 HydrophobicContact CD1-CB 4.25Å; Y71-V77 HydrophobicContact CD1-CG1 3.96Å; Y71-V77 HydrophobicContact CD1-CG2 3.8Å; Y71-V77 HydrophobicContact CE1-CG1 4.11Å; Y71-V77 HydrophobicContact CG-CG2 4.47Å; Y71-Q81 HydrophobicContact CE1-CB 4.48Å; Y71-L82 HydrophobicContact CD1-CD2 4.26Å; Y71-A85 HydrophobicContact CD1-CB 3.4Å; Y71-A85 HydrophobicContact CD2-CB 4.29Å; Y71-A85 HydrophobicContact CE1-CB 3.55Å; Y71-A85 HydrophobicContact CE2-CB 4.41Å; Y71-A85 HydrophobicContact CG-CB 3.83Å; Y71-P86 HydrophobicContact CE2-CG 4.02Å; Y71-R189 VanDerWaalsContact O-CZ 3.3Å; Y71-R189 PolarHBondContact O-NH1 3.05Å; Y71-R189 PolarHBondContact O-NH2 3.41Å
72	R	87.1	Confident	91.8	Very high	84 Å²	84	55.1 Å²	55.1	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-72	-36	-179.2	-71.3	-172.8	-169.6	-171.8	-2.3	113	D66 Y67 S69 W74 H88 E90 R189	D66-R72 IonicContact OD2-CZ 3.37Å; D66-R72 IonicContact OD2-NE 2.95Å; D66-R72 PolarHBondContact OD2-NE 3.3Å; D66-R72 VanDerWaalsContact OD2-NE 3.17Å; D66-R72 IonicContact OD2-NH1 3.18Å; D66-R72 IonicContact OD2-NH2 2.7Å; Y67-R72 PolarHBondContact O-NE 3.22Å; Y67-R72 PolarHBondContact O-NH2 2.97Å; S69-R72 PolarHBondContact O-N 3.37Å; R72-W74 PolarHBondContact O-N 3.34Å; R72-H88 PolarHBondContact NH2-CE1 2.93Å; R72-H88 PolarHBondContact NH2-NE2 2.89Å; R72-E90 IonicContact CZ-OE1 2.76Å; R72-E90 IonicContact CZ-OE2 2.58Å; R72-E90 IonicContact NH1-OE1 2.83Å; R72-E90 PolarHBondContact NH1-OE1 2.96Å; R72-E90 IonicContact NH1-OE2 3.92Å; R72-E90 IonicContact NH2-OE1 3.48Å; R72-E90 PolarHBondContact NH2-OE1 3.49Å; R72-E90 IonicContact NH2-OE2 2.84Å; R72-E90 PolarHBondContact NH2-OE2 2.66Å; R72-R189 PolarHBondContact O-NH2 3.15Å
73	N	89.7	Confident	92	Very high	96 Å²	96	55.2 Å²	55.2	51%	0.513	30%	0.297	S	S	.	.	S	Bend	trans	-68.9	132.6	174.4	-174.2	-41.5	0	0	0	109.1	Q75 S76 R189	N73-Q75 PolarHBondContact O-N 3.16Å; N73-Q75 PolarHBondContact OD1-N 2.86Å; N73-S76 PolarHBondContact O-N 3.43Å; N73-S76 PolarHBondContact O-OG 2.99Å; N73-R189 PolarHBondContact O-NH1 2.84Å
74	W	92.5	Very high	92.1	Very high	84 Å²	84	59.1 Å²	59.1	32%	0.318	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.1	-174.1	-75	34	0	0	0	113.8	R72 T188 R189 T192 L193 L207	R72-W74 PolarHBondContact O-N 3.34Å; W74-T188 HydrophobicContact CH2-CG2 3.75Å; W74-T188 HydrophobicContact CZ2-CG2 4.42Å; W74-R189 HydrophobicContact CD2-CB 4.4Å; W74-R189 HydrophobicContact CD2-CG 3.55Å; W74-R189 HydrophobicContact CE3-CB 4.06Å; W74-R189 HydrophobicContact CE3-CG 3.66Å; W74-R189 HydrophobicContact CG-CG 4Å; W74-R189 HydrophobicContact CH2-CG 4.16Å; W74-R189 HydrophobicContact CZ2-CG 4.07Å; W74-R189 HydrophobicContact CZ3-CB 4.28Å; W74-R189 HydrophobicContact CZ3-CG 3.97Å; W74-T192 HydrophobicContact CH2-CG2 4.42Å; W74-T192 HydrophobicContact CZ3-CG2 3.81Å; W74-L193 HydrophobicContact CE3-CD2 4.43Å; W74-L193 HydrophobicContact CE3-CG 4.29Å; W74-L207 HydrophobicContact CH2-CD1 3.52Å; W74-L207 HydrophobicContact CZ2-CD1 4.31Å; W74-L207 HydrophobicContact CZ3-CD1 4.38Å
75	Q	87.7	Confident	92.3	Very high	162 Å²	162	55.9 Å²	55.9	76%	0.757	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-1.6	-176.5	-63.6	174.9	-12	0	0	112.7	N73	N73-Q75 PolarHBondContact O-N 3.16Å; N73-Q75 PolarHBondContact OD1-N 2.86Å
76	S	85.9	Confident	92.3	Very high	62 Å²	62	57.8 Å²	57.8	43%	0.434	32%	0.316	S	S	.	.	S	Bend	trans	-77.3	-22.7	-175.7	56	0	0	0	0	114	A70 N73	A70-S76 PolarHBondContact O-OG 3.5Å; N73-S76 PolarHBondContact O-N 3.43Å; N73-S76 PolarHBondContact O-OG 2.99Å
77	V	88.4	Confident	92.4	Very high	26 Å²	26	57.9 Å²	57.9	16%	0.158	32%	0.316	C	S	.	.	S	Bend	trans	-142.5	150.6	-173.2	-65.5	0	0	0	0	110.7	Y71 I79 L82	Y71-V77 HydrophobicContact CD1-CB 4.25Å; Y71-V77 HydrophobicContact CD1-CG1 3.96Å; Y71-V77 HydrophobicContact CD1-CG2 3.8Å; Y71-V77 HydrophobicContact CE1-CG1 4.11Å; Y71-V77 HydrophobicContact CG-CG2 4.47Å; V77-I79 PolarHBondContact O-N 3.27Å; V77-L82 HydrophobicContact CG2-CD2 4.37Å
78	P	93.9	Very high	92.4	Very high	69 Å²	69	60.8 Å²	60.8	45%	0.448	33%	0.329	S	S	.	.			trans	-53.1	137.3	165.8	-24.5	35	0	0	0	111.1	D80 Q81	P78-D80 VanDerWaalsContact C-N 3.32Å; P78-D80 WeakPolarHBondContact CB-OD1 3.43Å; P78-D80 PolarHBondContact O-N 3.26Å; P78-Q81 HydrophobicContact CB-CG 4.19Å; P78-Q81 WeakPolarHBondContact O-CB 3.48Å; P78-Q81 PolarHBondContact O-N 3.13Å
79	I	96.2	Very high	92.4	Very high	26 Å²	26	61.9 Å²	61.9	13%	0.133	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-70.3	-31.2	-169.6	-61.2	173.2	0	0	0	111.5	V77 Q81 L82 A186 R189 F190 L193 Y575	V77-I79 PolarHBondContact O-N 3.27Å; I79-Q81 PolarHBondContact O-N 2.92Å; I79-L82 HydrophobicContact CG2-CD1 4.17Å; I79-L82 VanDerWaalsContact O-CB 3.27Å; I79-L82 WeakPolarHBondContact O-CB 3.13Å; I79-L82 VanDerWaalsContact O-CG 3.29Å; I79-L82 WeakPolarHBondContact O-CG 3.32Å; I79-L82 PolarHBondContact O-N 3.07Å; I79-L82 VanDerWaalsContact O-N 3.11Å; I79-A186 HydrophobicContact CG2-CB 4.31Å; I79-A186 VanDerWaalsContact CG2-O 3.23Å; I79-A186 WeakPolarHBondContact CG2-O 3.49Å; I79-R189 HydrophobicContact CD1-CB 4.06Å; I79-R189 HydrophobicContact CG1-CB 4.38Å; I79-R189 HydrophobicContact CG2-CB 4.22Å; I79-F190 HydrophobicContact CD1-CB 4.18Å; I79-F190 HydrophobicContact CG2-CB 4.45Å; I79-L193 HydrophobicContact CD1-CD1 4.09Å; I79-Y575 VanDerWaalsContact CB-OH 3.27Å; I79-Y575 WeakPolarHBondContact CB-OH 3.48Å; I79-Y575 HydrophobicContact CG2-CE2 4.06Å; I79-Y575 WeakPolarHBondContact CG2-OH 3.4Å
80	D	94.9	Very high	92.6	Very high	66 Å²	66	60 Å²	60	35%	0.353	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61.7	-28.6	176.3	63.1	-59.1	0	0	0	112.4	P78 L82 F83 Y575	P78-D80 VanDerWaalsContact C-N 3.32Å; P78-D80 WeakPolarHBondContact CB-OD1 3.43Å; P78-D80 PolarHBondContact O-N 3.26Å; D80-L82 PolarHBondContact O-N 2.89Å; D80-L82 VanDerWaalsContact O-N 3.16Å; D80-F83 WeakPolarHBondContact O-CD2 3.33Å; D80-F83 PolarHBondContact O-N 3.39Å; D80-Y575 HydrophobicContact CB-CE1 3.97Å
81	Q	95.7	Very high	92.7	Very high	81 Å²	81	58.4 Å²	58.4	38%	0.379	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-65.3	-18.1	176.4	-63.9	-177	9.4	0	0	113	Y71 P78 I79 F83 D84 A85	Y71-Q81 HydrophobicContact CE1-CB 4.48Å; P78-Q81 HydrophobicContact CB-CG 4.19Å; P78-Q81 WeakPolarHBondContact O-CB 3.48Å; P78-Q81 PolarHBondContact O-N 3.13Å; I79-Q81 PolarHBondContact O-N 2.92Å; Q81-F83 PolarHBondContact O-N 3.28Å; Q81-D84 PolarHBondContact O-N 3.12Å; Q81-D84 VanDerWaalsContact O-N 3.08Å; Q81-A85 WeakPolarHBondContact O-CB 3.13Å; Q81-A85 PolarHBondContact O-N 3.38Å
82	L	96.5	Very high	92.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.1	178.6	-62.4	178.3	0	0	0	113.1	Y67 Y71 V77 I79 D80 D84 R182 A185	Y67-L82 HydrophobicContact CD1-CD2 4.15Å; Y67-L82 HydrophobicContact CE1-CB 4.14Å; Y67-L82 HydrophobicContact CE1-CD2 3.84Å; Y67-L82 HydrophobicContact CE2-CD2 4.42Å; Y67-L82 PolarHBondContact OH-O 3.46Å; Y71-L82 HydrophobicContact CD1-CD2 4.26Å; V77-L82 HydrophobicContact CG2-CD2 4.37Å; I79-L82 HydrophobicContact CG2-CD1 4.17Å; I79-L82 VanDerWaalsContact O-CB 3.27Å; I79-L82 WeakPolarHBondContact O-CB 3.13Å; I79-L82 VanDerWaalsContact O-CG 3.29Å; I79-L82 WeakPolarHBondContact O-CG 3.32Å; I79-L82 PolarHBondContact O-N 3.07Å; I79-L82 VanDerWaalsContact O-N 3.11Å; D80-L82 PolarHBondContact O-N 2.89Å; D80-L82 VanDerWaalsContact O-N 3.16Å; L82-D84 PolarHBondContact O-N 2.96Å; L82-R182 PolarHBondContact O-NH1 3.06Å; L82-A185 HydrophobicContact CD1-CB 4.24Å
83	F	96.8	Very high	92.5	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.8	-25.2	174	-75.5	-81.7	0	0	0	113	D80 Q81 R182 T183 A186 F187 R568 K572 Y575	D80-F83 WeakPolarHBondContact O-CD2 3.33Å; D80-F83 PolarHBondContact O-N 3.39Å; Q81-F83 PolarHBondContact O-N 3.28Å; F83-R182 WeakPolarHBondContact O-CD 3.36Å; F83-R182 PolarHBondContact O-NH1 3.31Å; F83-R182 VanDerWaalsContact O-NH1 3.16Å; F83-T183 HydrophobicContact CE1-CG2 4.34Å; F83-A186 HydrophobicContact CD2-CB 4.23Å; F83-A186 HydrophobicContact CE2-CB 3.54Å; F83-A186 HydrophobicContact CZ-CB 3.79Å; F83-F187 HydrophobicContact CZ-CE2 4.24Å; F83-R568 PolarHBondContact O-NE 3.37Å; F83-R568 PolarHBondContact O-NH2 3.35Å; F83-K572 HydrophobicContact CB-CD 4.2Å; F83-K572 HydrophobicContact CD1-CB 4.01Å; F83-K572 HydrophobicContact CD2-CB 4.28Å; F83-K572 HydrophobicContact CD2-CG 4.12Å; F83-K572 HydrophobicContact CE1-CB 4.2Å; F83-K572 HydrophobicContact CE2-CB 4.45Å; F83-K572 HydrophobicContact CE2-CG 4.49Å; F83-K572 HydrophobicContact CG-CB 4.06Å; F83-K572 HydrophobicContact CG-CD 4.36Å; F83-K572 HydrophobicContact CG-CG 4.21Å; F83-K572 HydrophobicContact CZ-CB 4.42Å; F83-Y575 AromaticContact CE2-CD1 3.92Å; F83-Y575 HydrophobicContact CE2-CD1 3.92Å; F83-Y575 HydrophobicContact CE2-CD2 4.09Å; F83-Y575 AromaticContact CE2-CG 3.62Å; F83-Y575 HydrophobicContact CE2-CG 3.62Å; F83-Y575 HydrophobicContact CZ-CD2 4.41Å; F83-Y575 HydrophobicContact CZ-CG 4.06Å
84	D	95.3	Very high	92.6	Very high	100 Å²	100	61 Å²	61	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-10.9	-176.6	-57.8	-53.6	0	0	0	113.6	Q81 L82 R568	Q81-D84 PolarHBondContact O-N 3.12Å; Q81-D84 VanDerWaalsContact O-N 3.08Å; L82-D84 PolarHBondContact O-N 2.96Å; D84-R568 IonicContact OD1-CZ 3.05Å; D84-R568 IonicContact OD1-NH2 2.76Å; D84-R568 PolarHBondContact OD1-NH2 3.47Å
85	A	95.1	Very high	92.6	Very high	3 Å²	3	58.6 Å²	58.6	3%	0.025	32%	0.317	C	S	.	.			trans	-55.6	144	-178	0	0	0	0	0	112.5	Y67 Y71 Q81 R182	Y67-A85 HydrophobicContact CD1-CB 3.72Å; Y67-A85 HydrophobicContact CE1-CB 3.84Å; Y71-A85 HydrophobicContact CD1-CB 3.4Å; Y71-A85 HydrophobicContact CD2-CB 4.29Å; Y71-A85 HydrophobicContact CE1-CB 3.55Å; Y71-A85 HydrophobicContact CE2-CB 4.41Å; Y71-A85 HydrophobicContact CG-CB 3.83Å; Q81-A85 WeakPolarHBondContact O-CB 3.13Å; Q81-A85 PolarHBondContact O-N 3.38Å; A85-R182 PolarHBondContact O-NH1 3.32Å; A85-R182 PolarHBondContact O-NH2 2.86Å; A85-R182 VanDerWaalsContact O-NH2 3.13Å
86	P	95.3	Very high	93	Very high	64 Å²	64	56.8 Å²	56.8	42%	0.416	31%	0.307	S	S	.	.			trans	-68.1	135.7	-179.6	26.8	-33.1	0	0	0	111.2	T68 Y71	T68-P86 HydrophobicContact CG2-CB 4.17Å; T68-P86 HydrophobicContact CG2-CG 4.05Å; T68-P86 PolarHBondContact N-O 2.92Å; Y71-P86 HydrophobicContact CE2-CG 4.02Å
87	L	95.4	Very high	93.5	Very high	37 Å²	37	56.1 Å²	56.1	19%	0.194	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.9	176.6	-58.3	179.1	0	0	0	110	L65 D66 Y67 E178 L181 R182	L65-L87 HydrophobicContact CD1-CB 3.94Å; L65-L87 HydrophobicContact CD1-CD1 4.46Å; L65-L87 HydrophobicContact CD2-CD1 4.05Å; L65-L87 HydrophobicContact CG-CB 4.43Å; L65-L87 HydrophobicContact CG-CD1 4.28Å; D66-L87 WeakPolarHBondContact O-CA 3.38Å; Y67-L87 HydrophobicContact CD1-CD2 3.39Å; Y67-L87 HydrophobicContact CD2-CD2 4.34Å; Y67-L87 HydrophobicContact CE1-CD2 3.56Å; Y67-L87 HydrophobicContact CE2-CD2 4.48Å; Y67-L87 HydrophobicContact CG-CD2 3.81Å; L87-E178 HydrophobicContact CD1-CB 4.36Å; L87-E178 HydrophobicContact CD1-CG 3.64Å; L87-L181 HydrophobicContact CD1-CD2 4.19Å; L87-L181 HydrophobicContact CD2-CD2 3.73Å; L87-R182 HydrophobicContact CD1-CG 4.44Å
88	H	93.6	Very high	94	Very high	62 Å²	62	55 Å²	55	29%	0.287	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.6	170	69.9	-83.4	0	0	0	110.4	D66 Y67 R72 E90	D66-H88 PolarHBondContact N-O 3.04Å; D66-H88 PolarHBondContact O-N 2.81Å; Y67-H88 PolarHBondContact O-CE1 3.04Å; R72-H88 PolarHBondContact NH2-CE1 2.93Å; R72-H88 PolarHBondContact NH2-NE2 2.89Å; H88-E90 IonicContact CD2-OE2 3.69Å; H88-E90 IonicContact CE1-OE2 3.76Å; H88-E90 IonicContact NE2-OE2 2.7Å; H88-E90 PolarHBondContact NE2-OE2 2.77Å
89	K	92.4	Very high	94.1	Very high	64 Å²	64	53.2 Å²	53.2	28%	0.278	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.6	168.8	-75.2	-167.8	178.9	-168.6	0	108.9	M63 N64 L65 D174	M63-K89 HydrophobicContact CB-CB 4.1Å; M63-K89 HydrophobicContact CB-CD 4.2Å; M63-K89 HydrophobicContact CB-CG 4.46Å; M63-K89 HydrophobicContact CG-CB 4.5Å; N64-K89 CarbonylContact O-C 3.54Å; N64-K89 WeakPolarHBondContact O-CA 3.47Å; L65-K89 HydrophobicContact CD1-CG 3.97Å; K89-D174 WeakPolarHBondContact CE-OD1 3.48Å; K89-D174 IonicContact NZ-OD1 3.16Å; K89-D174 PolarHBondContact NZ-OD1 3.5Å; K89-D174 IonicContact NZ-OD2 3.11Å
90	E	90.7	Very high	94.1	Very high	63 Å²	63	59.6 Å²	59.6	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.7	173.5	68.4	-177.2	-165.1	0	0	112.4	M63 N64 R72 H88 N92	M63-E90 CarbonylContact C-O 3.6Å; M63-E90 WeakPolarHBondContact CA-O 3.42Å; N64-E90 PolarHBondContact N-O 3Å; N64-E90 PolarHBondContact O-N 2.64Å; R72-E90 IonicContact CZ-OE1 2.76Å; R72-E90 IonicContact CZ-OE2 2.58Å; R72-E90 IonicContact NH1-OE1 2.83Å; R72-E90 PolarHBondContact NH1-OE1 2.96Å; R72-E90 IonicContact NH1-OE2 3.92Å; R72-E90 IonicContact NH2-OE1 3.48Å; R72-E90 PolarHBondContact NH2-OE1 3.49Å; R72-E90 IonicContact NH2-OE2 2.84Å; R72-E90 PolarHBondContact NH2-OE2 2.66Å; H88-E90 IonicContact CD2-OE2 3.69Å; H88-E90 IonicContact CE1-OE2 3.76Å; H88-E90 IonicContact NE2-OE2 2.7Å; H88-E90 PolarHBondContact NE2-OE2 2.77Å; E90-N92 PolarHBondContact O-N 3.07Å
91	C	91.9	Very high	94.3	Very high	24 Å²	24	56.7 Å²	56.7	16%	0.162	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.4	177.2	-173.7	0	0	0	0	110	L62 M63 L99	L62-C91 WeakPolarHBondContact O-CA 3.39Å; M63-C91 HydrophobicContact SD-CB 3.85Å; C91-L99 HydrophobicContact CB-CD1 3.74Å; C91-L99 VanDerWaalsContact SG-CD1 3.57Å
92	N	85.9	Confident	94.4	Very high	51 Å²	51	52.9 Å²	52.9	27%	0.273	27%	0.27	S	S	.	.			trans	-56.3	137.5	175.3	-74.9	-30	0	0	0	110.4	L62 N64 E90 D94 M95 K96	L62-N92 PolarHBondContact O-N 2.85Å; N64-N92 WeakPolarHBondContact CB-OD1 3.47Å; E90-N92 PolarHBondContact O-N 3.07Å; N92-D94 PolarHBondContact O-N 2.71Å; N92-D94 VanDerWaalsContact O-N 3.14Å; N92-M95 HydrophobicContact CB-CB 4.2Å; N92-M95 HydrophobicContact CB-CG 3.84Å; N92-M95 WeakPolarHBondContact O-CA 3.44Å; N92-M95 PolarHBondContact O-N 3.38Å; N92-K96 PolarHBondContact O-N 3.34Å
93	P	89.2	Confident	94.4	Very high	91 Å²	91	56.1 Å²	56.1	59%	0.591	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-51.8	-41.2	-177.9	-28.8	35.2	0	0	0	113.5	M95 K96	P93-M95 VanDerWaalsContact C-N 3.25Å; P93-M95 PolarHBondContact O-N 3.45Å; P93-K96 WeakPolarHBondContact O-CB 3.4Å; P93-K96 WeakPolarHBondContact O-CG 3.28Å; P93-K96 PolarHBondContact O-N 2.82Å
94	D	90.4	Very high	94.5	Very high	145 Å²	145	58 Å²	58	78%	0.775	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.9	-21	179.9	-61	-29.5	0	0	0	113.3	N92 P97	N92-D94 PolarHBondContact O-N 2.71Å; N92-D94 VanDerWaalsContact O-N 3.14Å; D94-P97 WeakPolarHBondContact O-CD 3.38Å
95	M	93.8	Very high	94.6	Very high	33 Å²	33	54.1 Å²	54.1	16%	0.163	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-92.1	-9.4	178.9	-58.7	-58.2	-173.2	0	0	112.9	S59 L62 N92 P93 P97 I98 L99	S59-M95 VanDerWaalsContact O-CE 3.25Å; S59-M95 WeakPolarHBondContact O-CE 3.39Å; L62-M95 HydrophobicContact CD2-CB 4.35Å; N92-M95 HydrophobicContact CB-CB 4.2Å; N92-M95 HydrophobicContact CB-CG 3.84Å; N92-M95 WeakPolarHBondContact O-CA 3.44Å; N92-M95 PolarHBondContact O-N 3.38Å; P93-M95 VanDerWaalsContact C-N 3.25Å; P93-M95 PolarHBondContact O-N 3.45Å; M95-P97 VanDerWaalsContact C-CD 3.43Å; M95-P97 VanDerWaalsContact C-N 3.33Å; M95-I98 WeakPolarHBondContact O-CA 3.48Å; M95-I98 WeakPolarHBondContact O-CB 3.48Å; M95-I98 PolarHBondContact O-N 2.91Å; M95-I98 HydrophobicContact SD-CD1 3.55Å; M95-I98 VanDerWaalsContact SD-CD1 3.55Å; M95-L99 PolarHBondContact O-N 3.22Å
96	K	95.5	Very high	94.7	Very high	125 Å²	125	54 Å²	54	54%	0.543	28%	0.275	S	S	.	.	H	α-helix	trans	-53.2	-40.1	178.1	-71.5	-179.5	177.6	178.1	0	114	N92 P93 I98 L99 R100	N92-K96 PolarHBondContact O-N 3.34Å; P93-K96 WeakPolarHBondContact O-CB 3.4Å; P93-K96 WeakPolarHBondContact O-CG 3.28Å; P93-K96 PolarHBondContact O-N 2.82Å; K96-I98 VanDerWaalsContact C-N 3.33Å; K96-I98 PolarHBondContact O-N 3.46Å; K96-L99 PolarHBondContact O-N 2.9Å; K96-R100 PolarHBondContact O-N 3.31Å
97	P	97.4	Very high	94.8	Very high	47 Å²	47	54 Å²	54	31%	0.305	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-39	174.4	-22.6	34.8	0	0	0	112.6	F33 D94 M95 R100 T101	F33-P97 HydrophobicContact CB-CB 4.03Å; F33-P97 WeakPolarHBondContact CB-O 3.37Å; D94-P97 WeakPolarHBondContact O-CD 3.38Å; M95-P97 VanDerWaalsContact C-CD 3.43Å; M95-P97 VanDerWaalsContact C-N 3.33Å; P97-R100 PolarHBondContact O-N 2.98Å; P97-T101 PolarHBondContact O-N 3.34Å
98	I	97.4	Very high	94.9	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-48.2	175.9	-54.6	179.3	0	0	0	109.9	N37 V58 L62 M95 K96 R100 T101 L102	N37-I98 HydrophobicContact CB-CG1 4.47Å; N37-I98 WeakPolarHBondContact OD1-CD1 3.41Å; N37-I98 WeakPolarHBondContact OD1-CG1 3.49Å; V58-I98 HydrophobicContact CG1-CG2 4.17Å; L62-I98 HydrophobicContact CD2-CB 4.24Å; L62-I98 HydrophobicContact CD2-CG2 3.88Å; M95-I98 WeakPolarHBondContact O-CA 3.48Å; M95-I98 WeakPolarHBondContact O-CB 3.48Å; M95-I98 PolarHBondContact O-N 2.91Å; M95-I98 HydrophobicContact SD-CD1 3.55Å; M95-I98 VanDerWaalsContact SD-CD1 3.55Å; K96-I98 VanDerWaalsContact C-N 3.33Å; K96-I98 PolarHBondContact O-N 3.46Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.4Å; I98-T101 WeakPolarHBondContact O-CA 3.44Å; I98-T101 WeakPolarHBondContact O-CB 3.36Å; I98-T101 PolarHBondContact O-N 3.47Å; I98-L102 HydrophobicContact CG2-CD1 4.38Å; I98-L102 HydrophobicContact CG2-CG 4.38Å; I98-L102 WeakPolarHBondContact O-CG 3.38Å; I98-L102 PolarHBondContact O-N 3.28Å
99	L	96.1	Very high	95	Very high	31 Å²	31	54.8 Å²	54.8	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-41.8	176.9	-176.1	152.5	0	0	0	111.6	M63 C91 M95 K96 L102 K103 V132	M63-L99 HydrophobicContact CE-CD1 4.17Å; C91-L99 HydrophobicContact CB-CD1 3.74Å; C91-L99 VanDerWaalsContact SG-CD1 3.57Å; M95-L99 PolarHBondContact O-N 3.22Å; K96-L99 PolarHBondContact O-N 2.9Å; L99-L102 PolarHBondContact O-N 3.33Å; L99-K103 HydrophobicContact CD2-CD 3.77Å; L99-K103 HydrophobicContact CD2-CG 4.28Å; L99-K103 WeakPolarHBondContact O-CG 3.4Å; L99-K103 PolarHBondContact O-N 3.23Å; L99-V132 HydrophobicContact CD1-CG1 4.49Å; L99-V132 HydrophobicContact CD1-CG2 4.12Å; L99-V132 HydrophobicContact CG-CG1 3.9Å; L99-V132 HydrophobicContact CG-CG2 4.38Å
100	R	97	Very high	95.2	Very high	161 Å²	161	57.7 Å²	57.7	61%	0.608	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-40.3	175.8	-166.5	-179.7	-177.6	167.9	1.1	112.1	F33 K96 P97 I98 S104	F33-R100 HydrophobicContact CD2-CB 3.89Å; F33-R100 HydrophobicContact CD2-CG 3.71Å; F33-R100 HydrophobicContact CE2-CB 4.35Å; F33-R100 HydrophobicContact CE2-CG 3.71Å; F33-R100 HydrophobicContact CG-CB 4.33Å; F33-R100 HydrophobicContact CG-CG 4.21Å; F33-R100 HydrophobicContact CZ-CG 4.18Å; K96-R100 PolarHBondContact O-N 3.31Å; P97-R100 PolarHBondContact O-N 2.98Å; I98-R100 VanDerWaalsContact C-N 3.26Å; I98-R100 PolarHBondContact O-N 3.4Å; R100-S104 WeakPolarHBondContact O-CB 3.42Å; R100-S104 PolarHBondContact O-N 3.41Å
101	T	98	Very high	95.5	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-48.5	174	-71.7	0	0	0	0	110.9	F33 L39 P97 I98 K103 S104 E105	F33-T101 WeakPolarHBondContact CD2-OG1 3.4Å; F33-T101 PolarHBondContact N-OG1 2.89Å; L39-T101 HydrophobicContact CD2-CG2 4.04Å; L39-T101 HydrophobicContact CG-CG2 4.49Å; P97-T101 PolarHBondContact O-N 3.34Å; I98-T101 WeakPolarHBondContact O-CA 3.44Å; I98-T101 WeakPolarHBondContact O-CB 3.36Å; I98-T101 PolarHBondContact O-N 3.47Å; T101-K103 PolarHBondContact O-N 3.15Å; T101-S104 PolarHBondContact O-N 3.4Å; T101-E105 HydrophobicContact CG2-CG 4.42Å; T101-E105 PolarHBondContact O-N 3.32Å
102	L	98.1	Very high	95.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-45.8	179.7	-67.2	-179	0	0	0	111.9	V8 V58 L62 I98 L99 E105 A106 I129 V132	V8-L102 HydrophobicContact CG1-CD2 3.92Å; V8-L102 HydrophobicContact CG2-CD2 3.76Å; V58-L102 HydrophobicContact CG1-CD1 4.02Å; L62-L102 HydrophobicContact CD1-CD1 3.7Å; L62-L102 HydrophobicContact CD2-CD1 4.45Å; I98-L102 HydrophobicContact CG2-CD1 4.38Å; I98-L102 HydrophobicContact CG2-CG 4.38Å; I98-L102 WeakPolarHBondContact O-CG 3.38Å; I98-L102 PolarHBondContact O-N 3.28Å; L99-L102 PolarHBondContact O-N 3.33Å; L102-E105 PolarHBondContact O-N 3.03Å; L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 3.16Å; L102-I129 HydrophobicContact CD1-CG1 4.47Å; L102-I129 HydrophobicContact CD1-CG2 4.43Å; L102-V132 HydrophobicContact CB-CG1 4.03Å; L102-V132 HydrophobicContact CD1-CG1 4.4Å
103	K	97.8	Very high	96.5	Very high	68 Å²	68	51.9 Å²	51.9	30%	0.296	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176.7	-71.5	-171.7	174.3	-171.8	0	112.6	L99 T101 E105 A107 V132 Q135 A136	L99-K103 HydrophobicContact CD2-CD 3.77Å; L99-K103 HydrophobicContact CD2-CG 4.28Å; L99-K103 WeakPolarHBondContact O-CG 3.4Å; L99-K103 PolarHBondContact O-N 3.23Å; T101-K103 PolarHBondContact O-N 3.15Å; K103-E105 PolarHBondContact O-N 3.08Å; K103-A107 WeakPolarHBondContact O-CB 3.32Å; K103-A107 PolarHBondContact O-N 3.17Å; K103-A107 VanDerWaalsContact O-N 3.11Å; K103-V132 HydrophobicContact CG-CG1 3.87Å; K103-Q135 VanDerWaalsContact CE-OE1 3.31Å; K103-A136 HydrophobicContact CB-CB 4.16Å; K103-A136 HydrophobicContact CG-CB 4.32Å
104	S	97.6	Very high	96.9	Very high	40 Å²	40	47.6 Å²	47.6	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-46.8	177.5	167.7	0	0	0	0	112.1	R100 T101 K108	R100-S104 WeakPolarHBondContact O-CB 3.42Å; R100-S104 PolarHBondContact O-N 3.41Å; T101-S104 PolarHBondContact O-N 3.4Å; S104-K108 WeakPolarHBondContact O-CE 3.44Å; S104-K108 PolarHBondContact OG-NZ 3.03Å
105	E	97.8	Very high	97.3	Very high	19 Å²	19	40.7 Å²	40.7	9%	0.089	20%	0.201	C	C	.	.	H	α-helix	trans	-79.4	-34.7	-177	-59.3	-41.4	116	0	0	112.2	L6 L39 V54 T101 L102 K103 A107 K108 A109	L6-E105 HydrophobicContact CD1-CB 3.86Å; L6-E105 HydrophobicContact CD2-CB 4.23Å; L39-E105 HydrophobicContact CD1-CG 4.43Å; L39-E105 HydrophobicContact CD2-CG 4.16Å; V54-E105 HydrophobicContact CG1-CG 4.48Å; T101-E105 HydrophobicContact CG2-CG 4.42Å; T101-E105 PolarHBondContact O-N 3.32Å; L102-E105 PolarHBondContact O-N 3.03Å; K103-E105 PolarHBondContact O-N 3.08Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 3.09Å; E105-K108 PolarHBondContact O-N 3.32Å; E105-K108 VanDerWaalsContact O-N 3.11Å; E105-K108 IonicContact OE1-NZ 2.63Å; E105-K108 PolarHBondContact OE1-NZ 3.41Å; E105-K108 IonicContact OE2-NZ 3.81Å; E105-K108 PolarHBondContact OE2-NZ 3.42Å; E105-A109 WeakPolarHBondContact O-CB 3.19Å; E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.12Å
106	A	97.9	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-37.9	174.2	0	0	0	0	0	112.6	L6 L102 K108 A109 C133 A136 L140	L6-A106 HydrophobicContact CD2-CB 4.17Å; L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 3.16Å; A106-K108 PolarHBondContact O-N 3.37Å; A106-A109 PolarHBondContact O-N 3.34Å; A106-C133 HydrophobicContact CB-CB 3.72Å; A106-A136 HydrophobicContact CB-CB 4.17Å; A106-L140 HydrophobicContact CB-CD1 3.9Å
107	A	97.4	Very high	97.4	Very high	63 Å²	63	33.5 Å²	33.5	52%	0.521	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.3	177.1	0	0	0	0	0	113.4	K103 E105	K103-A107 WeakPolarHBondContact O-CB 3.32Å; K103-A107 PolarHBondContact O-N 3.17Å; K103-A107 VanDerWaalsContact O-N 3.11Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 3.09Å
108	K	96.1	Very high	97.3	Very high	114 Å²	114	32.1 Å²	32.1	50%	0.496	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-18.2	-179.9	-54.8	167.8	-160.1	157.6	0	112.7	S104 E105 A106	S104-K108 WeakPolarHBondContact O-CE 3.44Å; S104-K108 PolarHBondContact OG-NZ 3.03Å; E105-K108 PolarHBondContact O-N 3.32Å; E105-K108 VanDerWaalsContact O-N 3.11Å; E105-K108 IonicContact OE1-NZ 2.63Å; E105-K108 PolarHBondContact OE1-NZ 3.41Å; E105-K108 IonicContact OE2-NZ 3.81Å; E105-K108 PolarHBondContact OE2-NZ 3.42Å; A106-K108 PolarHBondContact O-N 3.37Å
109	A	97.5	Very high	97	Very high	3 Å²	3	33 Å²	33	3%	0.025	17%	0.165	C	C	.	.			trans	-85.3	145.6	-172.1	0	0	0	0	0	112.3	V4 L6 E105 A106 N137 L140	V4-A109 HydrophobicContact CG1-CB 4.16Å; V4-A109 WeakPolarHBondContact O-CA 3.49Å; L6-A109 HydrophobicContact CB-CB 3.84Å; E105-A109 WeakPolarHBondContact O-CB 3.19Å; E105-A109 PolarHBondContact O-N 3.46Å; E105-A109 VanDerWaalsContact O-N 3.12Å; A106-A109 PolarHBondContact O-N 3.34Å; A109-N137 PolarHBondContact O-ND2 3.13Å; A109-L140 HydrophobicContact CB-CD2 4.1Å
110	K	96.5	Very high	96.8	Very high	125 Å²	125	33.7 Å²	33.7	54%	0.543	17%	0.165	S	C	.	.	S	Bend	trans	-91.7	-29.8	169.6	-61.2	-157.6	-167.8	172.7	0	112.3	N3 V4 D141	N3-K110 VanDerWaalsContact OD1-CD 3.28Å; N3-K110 WeakPolarHBondContact OD1-CD 3.35Å; V4-K110 PolarHBondContact O-N 3.33Å; K110-D141 PolarHBondContact O-N 3.44Å; K110-D141 VanDerWaalsContact O-N 3.16Å
111	A	97.2	Very high	96.6	Very high	14 Å²	14	28.2 Å²	28.2	12%	0.116	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.1	178.1	0	0	0	0	0	111.6	V5 L6 D141	V5-A111 HydrophobicContact CG1-CB 4.22Å; V5-A111 HydrophobicContact CG2-CB 4.4Å; L6-A111 PolarHBondContact N-O 3.05Å; A111-D141 CarbonylContact C-O 3.44Å; A111-D141 WeakPolarHBondContact CA-O 3.46Å; A111-D141 HydrophobicContact CB-CB 4.12Å
112	L	98.5	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.5	173	168.8	64	0	0	0	108.7	L6 V8 I114 I129 I130 C133 L140 D141 V142 R143	L6-L112 HydrophobicContact CB-CD1 4.29Å; L6-L112 HydrophobicContact CD2-CD1 4.1Å; L6-L112 HydrophobicContact CG-CD1 3.95Å; L6-L112 CarbonylContact O-C 3.55Å; L6-L112 VanDerWaalsContact O-CA 3.26Å; L6-L112 WeakPolarHBondContact O-CA 3.38Å; V8-L112 HydrophobicContact CB-CD1 4.48Å; V8-L112 HydrophobicContact CG2-CD1 3.69Å; L112-I114 HydrophobicContact CD1-CD1 4.1Å; L112-I114 HydrophobicContact CD2-CD1 3.96Å; L112-I114 HydrophobicContact CG-CD1 3.95Å; L112-I129 HydrophobicContact CD1-CG2 4.35Å; L112-I129 HydrophobicContact CD2-CG2 4.22Å; L112-I130 HydrophobicContact CD2-CG1 4.15Å; L112-C133 HydrophobicContact CD2-CB 3.9Å; L112-L140 HydrophobicContact CB-CD2 3.95Å; L112-D141 PolarHBondContact N-O 2.91Å; L112-V142 HydrophobicContact CB-CG2 4.47Å; L112-V142 HydrophobicContact CD2-CG2 4.46Å; L112-V142 WeakPolarHBondContact O-CA 3.46Å; L112-R143 PolarHBondContact O-N 3.02Å
113	I	98.6	Very high	96.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.2	171.8	-53.3	176.9	0	0	0	109	V5 L6 N7 V8 L46 W115 R143 A145 L159 L162	V5-I113 HydrophobicContact CG1-CD1 3.69Å; V5-I113 HydrophobicContact CG1-CG1 3.83Å; L6-I113 PolarHBondContact O-N 3.14Å; N7-I113 WeakPolarHBondContact CA-O 3.38Å; V8-I113 PolarHBondContact N-O 3.02Å; L46-I113 HydrophobicContact CD2-CD1 4.08Å; I113-W115 VanDerWaalsContact CG2-NE1 3.35Å; I113-R143 CarbonylContact C-O 3.47Å; I113-R143 WeakPolarHBondContact CA-O 3.43Å; I113-R143 HydrophobicContact CG1-CB 4.39Å; I113-A145 HydrophobicContact CG2-CB 4.05Å; I113-L159 HydrophobicContact CD1-CD1 3.99Å; I113-L162 HydrophobicContact CD1-CD1 3.84Å; I113-L162 HydrophobicContact CD1-CD2 4.5Å; I113-L162 HydrophobicContact CG1-CD1 4.36Å; I113-L162 HydrophobicContact CG2-CD2 3.75Å
114	I	98.8	Very high	96.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.3	176.3	-58.7	-58.1	0	0	0	109.9	L112 T116 I129 I130 R143 R144 A145	L112-I114 HydrophobicContact CD1-CD1 4.1Å; L112-I114 HydrophobicContact CD2-CD1 3.96Å; L112-I114 HydrophobicContact CG-CD1 3.95Å; I114-T116 HydrophobicContact CG2-CG2 4.09Å; I114-T116 WeakPolarHBondContact CG2-OG1 3.46Å; I114-I129 HydrophobicContact CD1-CB 4.04Å; I114-I129 HydrophobicContact CD1-CD1 4.42Å; I114-I129 HydrophobicContact CD1-CG2 3.78Å; I114-I130 HydrophobicContact CD1-CG1 4.09Å; I114-I130 HydrophobicContact CG1-CD1 4.21Å; I114-I130 HydrophobicContact CG1-CG1 4.19Å; I114-R143 PolarHBondContact N-O 3.16Å; I114-R144 PolarHBondContact O-NH1 3.08Å; I114-A145 PolarHBondContact O-N 2.92Å
115	W	98.3	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	26.9	179.7	-71.8	92.6	0	0	0	111.7	N7 V8 A9 I18 L22 F55 I113 A145 F147 V155 A158 L159	N7-W115 PolarHBondContact OD1-NE1 3.33Å; V8-W115 WeakPolarHBondContact O-CA 3.44Å; V8-W115 PolarHBondContact O-N 3.33Å; A9-W115 WeakPolarHBondContact CA-O 3.47Å; A9-W115 HydrophobicContact CB-CB 4.08Å; I18-W115 HydrophobicContact CD1-CB 4.24Å; I18-W115 HydrophobicContact CD1-CD2 4.27Å; I18-W115 HydrophobicContact CD1-CE3 3.77Å; I18-W115 HydrophobicContact CD1-CZ3 4.49Å; I18-W115 HydrophobicContact CG1-CE3 4.45Å; I18-W115 HydrophobicContact CG2-CD2 4.13Å; I18-W115 HydrophobicContact CG2-CE3 3.92Å; I18-W115 HydrophobicContact CG2-CH2 4.12Å; I18-W115 HydrophobicContact CG2-CZ2 4.31Å; I18-W115 HydrophobicContact CG2-CZ3 3.92Å; L22-W115 HydrophobicContact CD1-CZ2 4.3Å; F55-W115 AromaticContact CE1-CD1 3.76Å; F55-W115 HydrophobicContact CE1-CD2 4.22Å; F55-W115 AromaticContact CE1-CE2 3.99Å; F55-W115 HydrophobicContact CE1-CG 4.07Å; F55-W115 AromaticContact CE1-NE1 3.67Å; F55-W115 AromaticContact CZ-CE2 3.89Å; F55-W115 HydrophobicContact CZ-CZ2 4.26Å; F55-W115 AromaticContact CZ-NE1 3.58Å; I113-W115 VanDerWaalsContact CG2-NE1 3.35Å; W115-A145 HydrophobicContact CD2-CB 3.54Å; W115-A145 HydrophobicContact CE3-CB 3.54Å; W115-A145 HydrophobicContact CG-CB 4.23Å; W115-A145 HydrophobicContact CH2-CB 3.79Å; W115-A145 HydrophobicContact CZ2-CB 3.8Å; W115-A145 HydrophobicContact CZ3-CB 3.67Å; W115-F147 AromaticContact CE3-CD1 3.89Å; W115-F147 HydrophobicContact CE3-CD1 3.89Å; W115-F147 AromaticContact CE3-CE1 3.72Å; W115-F147 HydrophobicContact CE3-CE1 3.72Å; W115-F147 HydrophobicContact CE3-CZ 4.36Å; W115-F147 HydrophobicContact CZ3-CD1 4.12Å; W115-F147 HydrophobicContact CZ3-CE1 4.4Å; W115-V155 HydrophobicContact CH2-CG1 3.9Å; W115-V155 HydrophobicContact CZ3-CG1 4.14Å; W115-V155 HydrophobicContact CZ3-CG2 4.44Å; W115-A158 HydrophobicContact CH2-CB 4.14Å; W115-A158 HydrophobicContact CZ3-CB 4.11Å; W115-L159 HydrophobicContact CH2-CB 4.47Å; W115-L159 HydrophobicContact CZ2-CD1 4.12Å
116	T	97.8	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-64.7	163.3	171.2	48.6	0	0	0	0	110.5	E10 I114 G122 I125 I129 R144	E10-T116 HydrophobicContact CB-CG2 4.17Å; I114-T116 HydrophobicContact CG2-CG2 4.09Å; I114-T116 WeakPolarHBondContact CG2-OG1 3.46Å; T116-G122 WeakPolarHBondContact CB-O 3.29Å; T116-G122 PolarHBondContact OG1-O 2.85Å; T116-I125 HydrophobicContact CG2-CB 4.22Å; T116-I125 HydrophobicContact CG2-CG2 3.82Å; T116-I129 HydrophobicContact CG2-CD1 3.85Å; T116-R144 PolarHBondContact O-NH1 2.96Å; T116-R144 PolarHBondContact O-NH2 2.73Å; T116-R144 VanDerWaalsContact O-NH2 3.11Å; T116-R144 PolarHBondContact OG1-NH2 2.99Å
117	D	94.5	Very high	96.5	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.032	13%	0.126	C	C	.	.			trans	-61.4	150.7	177.7	-70.5	-25.9	0	0	0	110.3	E10 D119 G122 R144 Y313 Y320	E10-D117 PolarHBondContact OE2-N 3.29Å; D117-D119 VanDerWaalsContact C-N 3.27Å; D117-D119 PolarHBondContact O-N 3.01Å; D117-G122 WeakPolarHBondContact O-CA 3.16Å; D117-R144 PolarHBondContact O-NH2 2.94Å; D117-Y313 VanDerWaalsContact OD1-CE1 3.3Å; D117-Y313 WeakPolarHBondContact OD1-CE1 3.18Å; D117-Y313 PolarHBondContact OD1-OH 3.17Å; D117-Y320 HydrophobicContact CB-CE2 3.57Å
118	C	94.1	Very high	96.5	Very high	19 Å²	19	21.8 Å²	21.8	13%	0.128	10%	0.102	C	C	.	.	S	Bend	trans	-91.4	42.8	-168.4	-64.6	0	0	0	0	113.6	F147 H371	C118-F147 WeakPolarHBondContact CB-O 3.4Å; C118-F147 PolarHBondContact SG-N 3.32Å; C118-F147 PolarHBondContact SG-O 3.48Å; C118-H371 PolarHBondContact O-NE2 3.41Å
119	D	91.4	Very high	96.6	Very high	21 Å²	21	16.4 Å²	16.4	11%	0.112	8%	0.078	C	C	.	.	S	Bend	trans	-108.6	-176.7	168.9	68.6	-8	0	0	0	111.5	D117 E121 G122 E123 Y320	D117-D119 VanDerWaalsContact C-N 3.27Å; D117-D119 PolarHBondContact O-N 3.01Å; D119-E121 PolarHBondContact OD1-N 2.96Å; D119-G122 WeakPolarHBondContact OD1-CA 3.27Å; D119-G122 PolarHBondContact OD1-N 2.85Å; D119-E123 PolarHBondContact O-N 2.82Å; D119-E123 VanDerWaalsContact O-N 3.07Å; D119-Y320 HydrophobicContact CB-CE1 4.04Å; D119-Y320 PolarHBondContact OD2-OH 2.99Å
120	R	92.4	Very high	96.6	Very high	46 Å²	46	16.9 Å²	16.9	17%	0.174	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-40.4	-179.5	-57.7	-162.3	-166.6	136.8	-7.8	112.3	E123 N124 L169 V173 D493 C554	R120-E123 PolarHBondContact O-N 3.41Å; R120-N124 PolarHBondContact O-N 3.22Å; R120-L169 HydrophobicContact CG-CD2 4.4Å; R120-V173 HydrophobicContact CB-CG2 3.69Å; R120-V173 WeakPolarHBondContact O-CG2 3.47Å; R120-D493 WeakPolarHBondContact CD-OD2 3.4Å; R120-D493 WeakPolarHBondContact CG-OD2 3.23Å; R120-D493 IonicContact CZ-OD2 3.7Å; R120-D493 IonicContact NE-OD2 3.84Å; R120-D493 PolarHBondContact NE-OD2 2.87Å; R120-D493 VanDerWaalsContact NE-OD2 3.16Å; R120-D493 IonicContact NH1-OD2 2.66Å; R120-D493 PolarHBondContact NH1-OD2 2.72Å; R120-C554 VanDerWaalsContact CD-SG 3.58Å; R120-C554 PolarHBondContact NE-SG 3.01Å
121	E	92.8	Very high	96.6	Very high	46 Å²	46	15.8 Å²	15.8	22%	0.215	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-47.8	179.7	-63.9	-66.3	138.5	0	0	110.7	H61 D119 E123 N124 I125 R176	H61-E121 IonicContact CE1-OE2 2.77Å; H61-E121 IonicContact NE2-OE2 3.09Å; H61-E121 PolarHBondContact NE2-OE2 3.34Å; H61-E121 VanDerWaalsContact NE2-OE2 3.11Å; D119-E121 PolarHBondContact OD1-N 2.96Å; E121-E123 VanDerWaalsContact C-N 3.26Å; E121-E123 PolarHBondContact O-N 3.26Å; E121-N124 WeakPolarHBondContact O-CB 3.23Å; E121-N124 PolarHBondContact O-N 2.88Å; E121-I125 VanDerWaalsContact O-CG1 3.32Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 2.84Å; E121-R176 IonicContact OE1-CZ 2.72Å; E121-R176 IonicContact OE1-NE 3.22Å; E121-R176 IonicContact OE1-NH2 3.55Å; E121-R176 PolarHBondContact OE1-NH2 3.07Å; E121-R176 IonicContact OE2-NH2 3.67Å; E121-R176 PolarHBondContact OE2-NH2 2.79Å
122	G	95.5	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-34.1	175.5	0	0	0	0	0	112.8	T116 D117 D119 G126	T116-G122 WeakPolarHBondContact CB-O 3.29Å; T116-G122 PolarHBondContact OG1-O 2.85Å; D117-G122 WeakPolarHBondContact O-CA 3.16Å; D119-G122 WeakPolarHBondContact OD1-CA 3.27Å; D119-G122 PolarHBondContact OD1-N 2.85Å; G122-G126 PolarHBondContact O-N 3.45Å
123	E	97	Very high	96.5	Very high	11 Å²	11	15.1 Å²	15.1	5%	0.051	7%	0.071	C	C	.	.	H	α-helix	trans	-67.8	-41.4	172.3	-157.2	65.5	-164.4	0	0	111.9	D119 R120 E121 G126 F127 R144 P165 N166 L169	D119-E123 PolarHBondContact O-N 2.82Å; D119-E123 VanDerWaalsContact O-N 3.07Å; R120-E123 PolarHBondContact O-N 3.41Å; E121-E123 VanDerWaalsContact C-N 3.26Å; E121-E123 PolarHBondContact O-N 3.26Å; E123-G126 WeakPolarHBondContact O-CA 3.27Å; E123-G126 PolarHBondContact O-N 3.05Å; E123-G126 VanDerWaalsContact O-N 3.16Å; E123-F127 HydrophobicContact CG-CE2 4.47Å; E123-F127 WeakPolarHBondContact O-CD2 3.1Å; E123-F127 PolarHBondContact O-N 2.81Å; E123-F127 VanDerWaalsContact O-N 3.08Å; E123-R144 IonicContact OE2-CZ 3.88Å; E123-R144 IonicContact OE2-NE 2.87Å; E123-R144 PolarHBondContact OE2-NE 2.82Å; E123-R144 IonicContact OE2-NH2 3.79Å; E123-R144 PolarHBondContact OE2-NH2 2.93Å; E123-P165 WeakPolarHBondContact OE1-CA 3.32Å; E123-N166 HydrophobicContact CG-CB 4.46Å; E123-N166 WeakPolarHBondContact CG-O 3.35Å; E123-N166 PolarHBondContact OE1-N 3.06Å; E123-L169 HydrophobicContact CB-CB 4.02Å; E123-L169 HydrophobicContact CB-CD1 4.39Å; E123-L169 HydrophobicContact CG-CB 3.96Å; E123-L169 HydrophobicContact CG-CD1 4.22Å
124	N	97.7	Very high	96.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-45.9	175	-169.7	-86.2	0	0	0	112.2	H61 R120 E121 G126 F127 E128 S170 V173 D174	H61-N124 PolarHBondContact CE1-OD1 2.89Å; R120-N124 PolarHBondContact O-N 3.22Å; E121-N124 WeakPolarHBondContact O-CB 3.23Å; E121-N124 PolarHBondContact O-N 2.88Å; N124-G126 PolarHBondContact O-N 3.37Å; N124-F127 PolarHBondContact O-N 2.91Å; N124-E128 PolarHBondContact O-N 3Å; N124-S170 PolarHBondContact ND2-O 3.25Å; N124-S170 PolarHBondContact ND2-OG 3.33Å; N124-V173 HydrophobicContact CB-CB 3.79Å; N124-V173 HydrophobicContact CB-CG1 3.72Å; N124-V173 HydrophobicContact CB-CG2 4.12Å; N124-D174 VanDerWaalsContact ND2-CG 3.33Å; N124-D174 PolarHBondContact ND2-OD1 3.33Å
125	I	97.7	Very high	96.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-39.2	173	-64	168.3	0	0	0	110.3	E10 V58 T116 E121 F127 E128 I129	E10-I125 HydrophobicContact CG-CD1 3.95Å; V58-I125 HydrophobicContact CG2-CG2 3.69Å; T116-I125 HydrophobicContact CG2-CB 4.22Å; T116-I125 HydrophobicContact CG2-CG2 3.82Å; E121-I125 VanDerWaalsContact O-CG1 3.32Å; E121-I125 WeakPolarHBondContact O-CG1 3.44Å; E121-I125 PolarHBondContact O-N 2.84Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.4Å; I125-E128 WeakPolarHBondContact O-CB 3.34Å; I125-E128 PolarHBondContact O-N 3.3Å; I125-I129 HydrophobicContact CG2-CD1 4.04Å; I125-I129 WeakPolarHBondContact O-CG1 3.37Å; I125-I129 PolarHBondContact O-N 2.87Å
126	G	98.2	Very high	96.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-53.3	-47.5	172.2	0	0	0	0	0	112.3	G122 E123 N124 I129 I130	G122-G126 PolarHBondContact O-N 3.45Å; E123-G126 WeakPolarHBondContact O-CA 3.27Å; E123-G126 PolarHBondContact O-N 3.05Å; E123-G126 VanDerWaalsContact O-N 3.16Å; N124-G126 PolarHBondContact O-N 3.37Å; G126-I129 WeakPolarHBondContact O-CB 3.37Å; G126-I129 PolarHBondContact O-N 3.07Å; G126-I130 WeakPolarHBondContact O-CD1 3.39Å; G126-I130 WeakPolarHBondContact O-CG1 3.44Å; G126-I130 PolarHBondContact O-N 3.24Å
127	F	98.1	Very high	96.3	Very high	43 Å²	43	27.8 Å²	27.8	19%	0.189	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-33.9	176.4	-84.9	-84.8	0	0	0	113.8	E123 N124 I125 I129 I130 E131 P165 K167	E123-F127 HydrophobicContact CG-CE2 4.47Å; E123-F127 WeakPolarHBondContact O-CD2 3.1Å; E123-F127 PolarHBondContact O-N 2.81Å; E123-F127 VanDerWaalsContact O-N 3.08Å; N124-F127 PolarHBondContact O-N 2.91Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.4Å; F127-I129 VanDerWaalsContact C-N 3.35Å; F127-I130 HydrophobicContact CD1-CD1 4.31Å; F127-I130 HydrophobicContact CE1-CD1 4.45Å; F127-I130 HydrophobicContact CG-CD1 4.47Å; F127-I130 PolarHBondContact O-N 3.06Å; F127-E131 WeakPolarHBondContact O-CB 3.28Å; F127-E131 PolarHBondContact O-N 3.19Å; F127-P165 HydrophobicContact CE2-CB 3.74Å; F127-P165 HydrophobicContact CZ-CB 3.73Å; F127-K167 HydrophobicContact CD1-CD 3.72Å; F127-K167 HydrophobicContact CD2-CD 4.37Å; F127-K167 HydrophobicContact CE1-CB 4.07Å; F127-K167 HydrophobicContact CE1-CD 3.52Å; F127-K167 HydrophobicContact CE1-CG 4.29Å; F127-K167 HydrophobicContact CE2-CB 4.23Å; F127-K167 HydrophobicContact CE2-CD 4.21Å; F127-K167 HydrophobicContact CG-CD 4.15Å; F127-K167 VanDerWaalsContact CZ-CA 3.42Å; F127-K167 HydrophobicContact CZ-CB 3.61Å; F127-K167 HydrophobicContact CZ-CD 3.78Å; F127-K167 HydrophobicContact CZ-CG 4.27Å
128	E	97.3	Very high	96.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-43.5	171.6	-63.7	-180	177.8	0	0	111.7	H61 L62 M63 N124 I125 E131 V132	H61-E128 IonicContact CE1-OE1 3.94Å; H61-E128 IonicContact CG-OE1 3.69Å; H61-E128 IonicContact ND1-OE1 2.76Å; H61-E128 PolarHBondContact ND1-OE1 3.23Å; H61-E128 IonicContact ND1-OE2 2.64Å; L62-E128 WeakPolarHBondContact CB-OE2 3.38Å; L62-E128 HydrophobicContact CD1-CB 4.46Å; L62-E128 PolarHBondContact N-OE2 2.86Å; M63-E128 HydrophobicContact CB-CG 4.31Å; M63-E128 HydrophobicContact CG-CB 4.26Å; M63-E128 HydrophobicContact CG-CG 4.08Å; M63-E128 PolarHBondContact N-OE2 3.23Å; M63-E128 VanDerWaalsContact N-OE2 3.07Å; N124-E128 PolarHBondContact O-N 3Å; I125-E128 WeakPolarHBondContact O-CB 3.34Å; I125-E128 PolarHBondContact O-N 3.3Å; E128-E131 PolarHBondContact O-N 3.47Å; E128-V132 WeakPolarHBondContact O-CG2 3.31Å; E128-V132 PolarHBondContact O-N 3.28Å; E128-V132 VanDerWaalsContact O-N 3.13Å
129	I	98.1	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-46.5	176.1	-64.6	158	0	0	0	110	V8 V58 L62 L102 L112 I114 T116 I125 G126 F127 E131 V132 C133	V8-I129 HydrophobicContact CB-CD1 4.18Å; V8-I129 HydrophobicContact CB-CG2 3.99Å; V8-I129 HydrophobicContact CG1-CD1 3.6Å; V8-I129 HydrophobicContact CG1-CG1 4.1Å; V8-I129 HydrophobicContact CG1-CG2 4.03Å; V8-I129 HydrophobicContact CG2-CG2 3.95Å; V58-I129 HydrophobicContact CG1-CD1 3.94Å; V58-I129 HydrophobicContact CG1-CG1 3.78Å; V58-I129 HydrophobicContact CG2-CD1 4.23Å; L62-I129 HydrophobicContact CD1-CG1 3.88Å; L102-I129 HydrophobicContact CD1-CG1 4.47Å; L102-I129 HydrophobicContact CD1-CG2 4.43Å; L112-I129 HydrophobicContact CD1-CG2 4.35Å; L112-I129 HydrophobicContact CD2-CG2 4.22Å; I114-I129 HydrophobicContact CD1-CB 4.04Å; I114-I129 HydrophobicContact CD1-CD1 4.42Å; I114-I129 HydrophobicContact CD1-CG2 3.78Å; T116-I129 HydrophobicContact CG2-CD1 3.85Å; I125-I129 HydrophobicContact CG2-CD1 4.04Å; I125-I129 WeakPolarHBondContact O-CG1 3.37Å; I125-I129 PolarHBondContact O-N 2.87Å; G126-I129 WeakPolarHBondContact O-CB 3.37Å; G126-I129 PolarHBondContact O-N 3.07Å; F127-I129 VanDerWaalsContact C-N 3.35Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.5Å; I129-V132 PolarHBondContact O-N 3.19Å; I129-C133 WeakPolarHBondContact O-CB 3.44Å; I129-C133 PolarHBondContact O-N 3Å; I129-C133 PolarHBondContact O-SG 3.39Å
130	I	98.3	Very high	96.8	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-47.2	179.7	-68.8	163	0	0	0	110.7	L112 I114 G126 F127 C133 K134 V142 P165	L112-I130 HydrophobicContact CD2-CG1 4.15Å; I114-I130 HydrophobicContact CD1-CG1 4.09Å; I114-I130 HydrophobicContact CG1-CD1 4.21Å; I114-I130 HydrophobicContact CG1-CG1 4.19Å; G126-I130 WeakPolarHBondContact O-CD1 3.39Å; G126-I130 WeakPolarHBondContact O-CG1 3.44Å; G126-I130 PolarHBondContact O-N 3.24Å; F127-I130 HydrophobicContact CD1-CD1 4.31Å; F127-I130 HydrophobicContact CE1-CD1 4.45Å; F127-I130 HydrophobicContact CG-CD1 4.47Å; F127-I130 PolarHBondContact O-N 3.06Å; I130-C133 PolarHBondContact O-N 3.18Å; I130-K134 HydrophobicContact CG2-CD 4.01Å; I130-K134 HydrophobicContact CG2-CG 4.27Å; I130-K134 WeakPolarHBondContact O-CB 3.49Å; I130-K134 WeakPolarHBondContact O-CG 3.5Å; I130-K134 PolarHBondContact O-N 3.36Å; I130-V142 HydrophobicContact CD1-CG1 3.61Å; I130-V142 HydrophobicContact CG1-CG1 3.63Å; I130-V142 HydrophobicContact CG2-CG2 4.37Å; I130-P165 HydrophobicContact CD1-CB 3.9Å; I130-P165 HydrophobicContact CD1-CG 3.68Å
131	E	96.7	Very high	97	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-49.1	179.3	-171	-178	168.3	0	0	111.1	F127 E128 I129 C133 K134 Q135	F127-E131 WeakPolarHBondContact O-CB 3.28Å; F127-E131 PolarHBondContact O-N 3.19Å; E128-E131 PolarHBondContact O-N 3.47Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.5Å; E131-C133 PolarHBondContact O-N 3.48Å; E131-K134 PolarHBondContact O-N 3.48Å; E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 2.89Å; E131-Q135 VanDerWaalsContact O-N 3.12Å
132	V	96	Very high	97.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-44.3	178	169.2	0	0	0	0	112	M63 L99 L102 K103 E128 I129	M63-V132 HydrophobicContact CE-CG2 3.26Å; L99-V132 HydrophobicContact CD1-CG1 4.49Å; L99-V132 HydrophobicContact CD1-CG2 4.12Å; L99-V132 HydrophobicContact CG-CG1 3.9Å; L99-V132 HydrophobicContact CG-CG2 4.38Å; L102-V132 HydrophobicContact CB-CG1 4.03Å; L102-V132 HydrophobicContact CD1-CG1 4.4Å; K103-V132 HydrophobicContact CG-CG1 3.87Å; E128-V132 WeakPolarHBondContact O-CG2 3.31Å; E128-V132 PolarHBondContact O-N 3.28Å; E128-V132 VanDerWaalsContact O-N 3.13Å; I129-V132 PolarHBondContact O-N 3.19Å
133	C	98	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71.7	-40.2	-178.1	-70.9	0	0	0	0	111.9	A106 L112 I129 I130 E131 Q135 A136 N137 L140	A106-C133 HydrophobicContact CB-CB 3.72Å; L112-C133 HydrophobicContact CD2-CB 3.9Å; I129-C133 WeakPolarHBondContact O-CB 3.44Å; I129-C133 PolarHBondContact O-N 3Å; I129-C133 PolarHBondContact O-SG 3.39Å; I130-C133 PolarHBondContact O-N 3.18Å; E131-C133 PolarHBondContact O-N 3.48Å; C133-Q135 VanDerWaalsContact C-N 3.29Å; C133-Q135 PolarHBondContact O-N 3.08Å; C133-A136 PolarHBondContact O-N 2.82Å; C133-N137 PolarHBondContact O-N 3.4Å; C133-L140 HydrophobicContact CB-CD1 3.95Å
134	K	97.7	Very high	97.5	Very high	91 Å²	91	45 Å²	45	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-26.7	177.3	-78.1	-167.9	173.6	-175.4	0	113.2	I130 E131 A136 N137 P138	I130-K134 HydrophobicContact CG2-CD 4.01Å; I130-K134 HydrophobicContact CG2-CG 4.27Å; I130-K134 WeakPolarHBondContact O-CB 3.49Å; I130-K134 WeakPolarHBondContact O-CG 3.5Å; I130-K134 PolarHBondContact O-N 3.36Å; E131-K134 PolarHBondContact O-N 3.48Å; K134-A136 PolarHBondContact O-N 3.44Å; K134-N137 CarbonylContact O-C 3.29Å; K134-N137 VanDerWaalsContact O-C 3.29Å; K134-N137 PolarHBondContact O-N 2.87Å; K134-P138 WeakPolarHBondContact O-CA 3.29Å; K134-P138 WeakPolarHBondContact O-CD 3.3Å; K134-P138 WeakPolarHBondContact O-CG 3.33Å; K134-P138 VanDerWaalsContact O-N 3.16Å
135	Q	96.3	Very high	97.5	Very high	112 Å²	112	45 Å²	45	52%	0.523	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-32.6	168.8	-72.8	172.1	14.8	0	0	112.5	K103 E131 C133	K103-Q135 VanDerWaalsContact CE-OE1 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.38Å; E131-Q135 PolarHBondContact O-N 2.89Å; E131-Q135 VanDerWaalsContact O-N 3.12Å; C133-Q135 VanDerWaalsContact C-N 3.29Å; C133-Q135 PolarHBondContact O-N 3.08Å
136	A	96.8	Very high	97.4	Very high	38 Å²	38	48.8 Å²	48.8	31%	0.314	24%	0.239	S	C	.	.	H	α-helix	trans	-87.8	-34.2	178.1	0	0	0	0	0	112.7	K103 A106 C133 K134	K103-A136 HydrophobicContact CB-CB 4.16Å; K103-A136 HydrophobicContact CG-CB 4.32Å; A106-A136 HydrophobicContact CB-CB 4.17Å; C133-A136 PolarHBondContact O-N 2.82Å; K134-A136 PolarHBondContact O-N 3.44Å
137	N	97.5	Very high	97.2	Very high	28 Å²	28	49 Å²	49	15%	0.15	24%	0.24	C	C	.	.			trans	-144.1	97	175.9	180	6.1	0	0	0	111.2	A109 C133 K134 R139 L140	A109-N137 PolarHBondContact O-ND2 3.13Å; C133-N137 PolarHBondContact O-N 3.4Å; K134-N137 CarbonylContact O-C 3.29Å; K134-N137 VanDerWaalsContact O-C 3.29Å; K134-N137 PolarHBondContact O-N 2.87Å; N137-R139 PolarHBondContact O-N 2.89Å; N137-R139 VanDerWaalsContact O-N 3.12Å; N137-R139 PolarHBondContact OD1-N 3.41Å; N137-R139 VanDerWaalsContact OD1-N 3.14Å; N137-L140 HydrophobicContact CB-CD1 3.78Å; N137-L140 HydrophobicContact CB-CG 4.01Å; N137-L140 WeakPolarHBondContact O-CB 3.47Å; N137-L140 WeakPolarHBondContact O-CD1 3.48Å; N137-L140 PolarHBondContact O-N 2.84Å
138	P	97.6	Very high	96.8	Very high	103 Å²	103	48 Å²	48	67%	0.669	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.6	-179.1	-25.7	34.9	0	0	0	114.9	K134	K134-P138 WeakPolarHBondContact O-CA 3.29Å; K134-P138 WeakPolarHBondContact O-CD 3.3Å; K134-P138 WeakPolarHBondContact O-CG 3.33Å; K134-P138 VanDerWaalsContact O-N 3.16Å
139	R	96.6	Very high	96.4	Very high	226 Å²	226	49.7 Å²	49.7	85%	0.853	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	9.7	-178.3	-63.7	-175.1	-70.8	-175.2	-4.9	113.5	N137 D141	N137-R139 PolarHBondContact O-N 2.89Å; N137-R139 VanDerWaalsContact O-N 3.12Å; N137-R139 PolarHBondContact OD1-N 3.41Å; N137-R139 VanDerWaalsContact OD1-N 3.14Å; R139-D141 PolarHBondContact O-N 3.21Å
140	L	96.1	Very high	96	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	25%	0.25	C	S	.	.			trans	-58.9	124.5	175.7	-96.3	157.1	0	0	0	111.1	A106 A109 L112 C133 N137 V142	A106-L140 HydrophobicContact CB-CD1 3.9Å; A109-L140 HydrophobicContact CB-CD2 4.1Å; L112-L140 HydrophobicContact CB-CD2 3.95Å; C133-L140 HydrophobicContact CB-CD1 3.95Å; N137-L140 HydrophobicContact CB-CD1 3.78Å; N137-L140 HydrophobicContact CB-CG 4.01Å; N137-L140 WeakPolarHBondContact O-CB 3.47Å; N137-L140 WeakPolarHBondContact O-CD1 3.48Å; N137-L140 PolarHBondContact O-N 2.84Å; L140-V142 HydrophobicContact CB-CG2 4.43Å
141	D	96.8	Very high	95.6	Very high	83 Å²	83	51 Å²	51	44%	0.444	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.4	164.1	-179.4	22.5	0	0	0	108.8	K110 A111 L112 R139	K110-D141 PolarHBondContact O-N 3.44Å; K110-D141 VanDerWaalsContact O-N 3.16Å; A111-D141 CarbonylContact C-O 3.44Å; A111-D141 WeakPolarHBondContact CA-O 3.46Å; A111-D141 HydrophobicContact CB-CB 4.12Å; L112-D141 PolarHBondContact N-O 2.91Å; R139-D141 PolarHBondContact O-N 3.21Å
142	V	98.5	Very high	95.3	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.3	-171.7	179.9	0	0	0	0	109.5	L112 I130 L140 P165	L112-V142 HydrophobicContact CB-CG2 4.47Å; L112-V142 HydrophobicContact CD2-CG2 4.46Å; L112-V142 WeakPolarHBondContact O-CA 3.46Å; I130-V142 HydrophobicContact CD1-CG1 3.61Å; I130-V142 HydrophobicContact CG1-CG1 3.63Å; I130-V142 HydrophobicContact CG2-CG2 4.37Å; L140-V142 HydrophobicContact CB-CG2 4.43Å; V142-P165 HydrophobicContact CG1-CG 3.76Å
143	R	98.3	Very high	95	Very high	73 Å²	73	54.7 Å²	54.7	28%	0.275	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	159.9	179.2	-59.2	-61.4	-148.1	171.5	12.7	111.3	L112 I113 I114 L162 A163 E164	L112-R143 PolarHBondContact O-N 3.02Å; I113-R143 CarbonylContact C-O 3.47Å; I113-R143 WeakPolarHBondContact CA-O 3.43Å; I113-R143 HydrophobicContact CG1-CB 4.39Å; I114-R143 PolarHBondContact N-O 3.16Å; R143-L162 HydrophobicContact CB-CB 4.17Å; R143-L162 HydrophobicContact CB-CD1 4.1Å; R143-L162 HydrophobicContact CG-CD1 4.3Å; R143-A163 CarbonylContact C-O 3.5Å; R143-E164 IonicContact CZ-OE1 3.99Å; R143-E164 IonicContact NH1-OE1 3.33Å; R143-E164 PolarHBondContact NH1-OE1 3.17Å
144	R	98.2	Very high	94.6	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.019	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.3	179.3	178.1	57.3	168.8	136.8	-13.4	110.3	I114 T116 D117 E123 V146 A163 P165	I114-R144 PolarHBondContact O-NH1 3.08Å; T116-R144 PolarHBondContact O-NH1 2.96Å; T116-R144 PolarHBondContact O-NH2 2.73Å; T116-R144 VanDerWaalsContact O-NH2 3.11Å; T116-R144 PolarHBondContact OG1-NH2 2.99Å; D117-R144 PolarHBondContact O-NH2 2.94Å; E123-R144 IonicContact OE2-CZ 3.88Å; E123-R144 IonicContact OE2-NE 2.87Å; E123-R144 PolarHBondContact OE2-NE 2.82Å; E123-R144 IonicContact OE2-NH2 3.79Å; E123-R144 PolarHBondContact OE2-NH2 2.93Å; R144-V146 HydrophobicContact CG-CG2 4.28Å; R144-A163 PolarHBondContact N-O 3.48Å; R144-A163 PolarHBondContact O-N 3.17Å; R144-P165 HydrophobicContact CB-CG 4.21Å
145	A	98.1	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.			trans	-83.7	126.1	168.4	0	0	0	0	0	109.4	I113 I114 W115 F147 A158 L162	I113-A145 HydrophobicContact CG2-CB 4.05Å; I114-A145 PolarHBondContact O-N 2.92Å; W115-A145 HydrophobicContact CD2-CB 3.54Å; W115-A145 HydrophobicContact CE3-CB 3.54Å; W115-A145 HydrophobicContact CG-CB 4.23Å; W115-A145 HydrophobicContact CH2-CB 3.79Å; W115-A145 HydrophobicContact CZ2-CB 3.8Å; W115-A145 HydrophobicContact CZ3-CB 3.67Å; A145-F147 HydrophobicContact CB-CD1 4.48Å; A145-A158 HydrophobicContact CB-CB 4.25Å; A145-L162 HydrophobicContact CB-CD2 4.05Å
146	V	95.8	Very high	94.4	Very high	82 Å²	82	48.2 Å²	48.2	50%	0.497	25%	0.251	S	S	.	.			trans	-106.4	118.8	179.3	-177.7	0	0	0	0	109.6	R144 A158 A163	R144-V146 HydrophobicContact CG-CG2 4.28Å; V146-A158 VanDerWaalsContact O-CB 3.23Å; V146-A158 WeakPolarHBondContact O-CB 3.48Å; V146-A163 HydrophobicContact CG2-CB 4.12Å
147	F	93.6	Very high	94.3	Very high	6 Å²	6	54 Å²	54	3%	0.026	27%	0.265	C	S	.	.			trans	-151.2	153.5	-176.1	62.4	-78.7	0	0	0	111.4	I18 W115 C118 A145 I150 A158 Y313	I18-F147 HydrophobicContact CD1-CZ 4.33Å; W115-F147 AromaticContact CE3-CD1 3.89Å; W115-F147 HydrophobicContact CE3-CD1 3.89Å; W115-F147 AromaticContact CE3-CE1 3.72Å; W115-F147 HydrophobicContact CE3-CE1 3.72Å; W115-F147 HydrophobicContact CE3-CZ 4.36Å; W115-F147 HydrophobicContact CZ3-CD1 4.12Å; W115-F147 HydrophobicContact CZ3-CE1 4.4Å; C118-F147 WeakPolarHBondContact CB-O 3.4Å; C118-F147 PolarHBondContact SG-N 3.32Å; C118-F147 PolarHBondContact SG-O 3.48Å; A145-F147 HydrophobicContact CB-CD1 4.48Å; F147-I150 HydrophobicContact CE2-CG1 4.39Å; F147-A158 HydrophobicContact CB-CB 4.14Å; F147-Y313 VanDerWaalsContact CE2-OH 3.3Å; F147-Y313 WeakPolarHBondContact CE2-OH 3.15Å
148	S	89.6	Confident	94.2	Very high	23 Å²	23	52.9 Å²	52.9	16%	0.161	26%	0.259	C	S	.	.	S	Bend	trans	-113.6	-4.9	178.7	-73.9	0	0	0	0	113.9	Y320 A370 H371 P372	S148-Y320 WeakPolarHBondContact O-CB 3.36Å; S148-Y320 PolarHBondContact O-N 2.98Å; S148-A370 PolarHBondContact OG-O 3.22Å; S148-H371 PolarHBondContact OG-ND1 3.34Å; S148-P372 VanDerWaalsContact CB-CD 3.47Å; S148-P372 WeakPolarHBondContact OG-CD 3.24Å
149	E	89.3	Confident	94.2	Very high	37 Å²	37	48.4 Å²	48.4	17%	0.173	23%	0.229	C	C	.	.	S	Bend	trans	-161.5	148.8	-173.3	57.5	177.8	-143.5	0	0	110.8	T151 S154 I377	E149-T151 VanDerWaalsContact C-N 3.29Å; E149-T151 HydrophobicContact CB-CG2 4.12Å; E149-T151 HydrophobicContact CG-CG2 3.86Å; E149-T151 PolarHBondContact O-N 3.34Å; E149-T151 VanDerWaalsContact OE1-CG2 3.3Å; E149-T151 WeakPolarHBondContact OE1-CG2 3.48Å; E149-T151 PolarHBondContact OE1-OG1 2.94Å; E149-S154 WeakPolarHBondContact CG-OG 3.47Å; E149-S154 VanDerWaalsContact O-CB 3.32Å; E149-S154 WeakPolarHBondContact O-CB 3.43Å; E149-S154 PolarHBondContact O-OG 3.5Å; E149-I377 HydrophobicContact CB-CD1 3.33Å; E149-I377 HydrophobicContact CG-CD1 4.15Å; E149-I377 WeakPolarHBondContact OE2-CD1 3.43Å
150	I	90.9	Very high	94.1	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.082	22%	0.219	C	C	.	.			trans	-91.4	66.1	176.9	-51.1	-179.6	0	0	0	109	A14 I18 I21 F147 Y313	A14-I150 HydrophobicContact CB-CD1 4.05Å; I18-I150 HydrophobicContact CG1-CG2 4.05Å; I21-I150 HydrophobicContact CD1-CG2 3.95Å; F147-I150 HydrophobicContact CE2-CG1 4.39Å; I150-Y313 HydrophobicContact CD1-CE1 4.45Å; I150-Y313 HydrophobicContact CG1-CE2 4.18Å
151	T	88.5	Confident	94.1	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.147	25%	0.245	C	C	.	.	S	Bend	trans	-116.4	160.8	175	70.3	0	0	0	0	111.4	E149 A153 S154 V155 I377	E149-T151 VanDerWaalsContact C-N 3.29Å; E149-T151 HydrophobicContact CB-CG2 4.12Å; E149-T151 HydrophobicContact CG-CG2 3.86Å; E149-T151 PolarHBondContact O-N 3.34Å; E149-T151 VanDerWaalsContact OE1-CG2 3.3Å; E149-T151 WeakPolarHBondContact OE1-CG2 3.48Å; E149-T151 PolarHBondContact OE1-OG1 2.94Å; T151-A153 VanDerWaalsContact C-N 3.33Å; T151-A153 PolarHBondContact O-N 3.46Å; T151-S154 PolarHBondContact O-N 3.4Å; T151-S154 VanDerWaalsContact OG1-CB 3.22Å; T151-S154 WeakPolarHBondContact OG1-CB 3.39Å; T151-S154 PolarHBondContact OG1-N 2.95Å; T151-S154 VanDerWaalsContact OG1-N 3.17Å; T151-V155 VanDerWaalsContact O-CB 3.29Å; T151-V155 WeakPolarHBondContact O-CB 3.34Å; T151-V155 VanDerWaalsContact O-CG2 3.27Å; T151-V155 WeakPolarHBondContact O-CG2 3.46Å; T151-V155 PolarHBondContact O-N 3.12Å; T151-I377 HydrophobicContact CG2-CB 4.45Å; T151-I377 HydrophobicContact CG2-CD1 4.42Å; T151-I377 HydrophobicContact CG2-CG2 3.37Å
152	R	90.4	Very high	94.1	Very high	118 Å²	118	43.7 Å²	43.7	45%	0.445	23%	0.232	S	C	.	.	H	α-helix	trans	-57.9	-45.1	176.5	-177.3	178.6	177.1	84.5	-1.5	112.5	I21 L156	I21-R152 HydrophobicContact CG2-CB 4.07Å; I21-R152 HydrophobicContact CG2-CG 4.16Å; R152-L156 HydrophobicContact CG-CD1 3.78Å; R152-L156 HydrophobicContact CG-CG 4.44Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 WeakPolarHBondContact O-CD1 3.48Å; R152-L156 WeakPolarHBondContact O-CG 2.94Å; R152-L156 PolarHBondContact O-N 3.37Å; R152-L156 VanDerWaalsContact O-N 3.15Å
153	A	89.5	Confident	94	Very high	62 Å²	62	44.9 Å²	44.9	51%	0.512	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-46.8	-178.6	0	0	0	0	0	111.7	T151 R157	T151-A153 VanDerWaalsContact C-N 3.33Å; T151-A153 PolarHBondContact O-N 3.46Å; A153-R157 WeakPolarHBondContact O-CB 3.4Å; A153-R157 PolarHBondContact O-N 3.42Å
154	S	91.5	Very high	94	Very high	12 Å²	12	47 Å²	47	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-49.2	-179.8	175.9	0	0	0	0	112.3	E149 T151 L156 R157 A158	E149-S154 WeakPolarHBondContact CG-OG 3.47Å; E149-S154 VanDerWaalsContact O-CB 3.32Å; E149-S154 WeakPolarHBondContact O-CB 3.43Å; E149-S154 PolarHBondContact O-OG 3.5Å; T151-S154 PolarHBondContact O-N 3.4Å; T151-S154 VanDerWaalsContact OG1-CB 3.22Å; T151-S154 WeakPolarHBondContact OG1-CB 3.39Å; T151-S154 PolarHBondContact OG1-N 2.95Å; T151-S154 VanDerWaalsContact OG1-N 3.17Å; S154-L156 PolarHBondContact O-N 2.72Å; S154-R157 WeakPolarHBondContact O-CB 3.44Å; S154-R157 PolarHBondContact O-N 2.86Å; S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 2.82Å
155	V	94.5	Very high	94	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-41.2	-179.2	167.4	0	0	0	0	112	I18 I21 L22 W115 T151 A158 L159	I18-V155 HydrophobicContact CG1-CG2 4.25Å; I18-V155 HydrophobicContact CG2-CG1 3.82Å; I18-V155 HydrophobicContact CG2-CG2 4.39Å; I21-V155 HydrophobicContact CD1-CG2 4.12Å; I21-V155 HydrophobicContact CG2-CB 4.06Å; I21-V155 HydrophobicContact CG2-CG1 3.99Å; L22-V155 HydrophobicContact CD1-CG1 4.14Å; L22-V155 HydrophobicContact CD2-CG1 3.64Å; L22-V155 HydrophobicContact CG-CG1 3.68Å; W115-V155 HydrophobicContact CH2-CG1 3.9Å; W115-V155 HydrophobicContact CZ3-CG1 4.14Å; W115-V155 HydrophobicContact CZ3-CG2 4.44Å; T151-V155 VanDerWaalsContact O-CB 3.29Å; T151-V155 WeakPolarHBondContact O-CB 3.34Å; T151-V155 VanDerWaalsContact O-CG2 3.27Å; T151-V155 WeakPolarHBondContact O-CG2 3.46Å; T151-V155 PolarHBondContact O-N 3.12Å; V155-A158 PolarHBondContact O-N 2.91Å; V155-L159 PolarHBondContact O-N 2.88Å; V155-L159 VanDerWaalsContact O-N 3.08Å
156	L	95	Very high	93.9	Very high	55 Å²	55	50.9 Å²	50.9	29%	0.288	28%	0.278	S	S	.	.	H	α-helix	trans	-67.4	-39	176.4	-70.1	173.9	0	0	0	111.9	L22 R152 S154 L159 A160	L22-L156 HydrophobicContact CD2-CD2 3.84Å; R152-L156 HydrophobicContact CG-CD1 3.78Å; R152-L156 HydrophobicContact CG-CG 4.44Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 WeakPolarHBondContact O-CD1 3.48Å; R152-L156 WeakPolarHBondContact O-CG 2.94Å; R152-L156 PolarHBondContact O-N 3.37Å; R152-L156 VanDerWaalsContact O-N 3.15Å; S154-L156 PolarHBondContact O-N 2.72Å; L156-L159 PolarHBondContact O-N 3.28Å; L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.36Å
157	R	94.3	Very high	94	Very high	160 Å²	160	51 Å²	51	60%	0.604	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-43.2	175.1	-171.3	-170.2	-53.1	170.5	3.7	111.5	A153 S154 L159 A160 N161	A153-R157 WeakPolarHBondContact O-CB 3.4Å; A153-R157 PolarHBondContact O-N 3.42Å; S154-R157 WeakPolarHBondContact O-CB 3.44Å; S154-R157 PolarHBondContact O-N 2.86Å; R157-L159 VanDerWaalsContact C-N 3.33Å; R157-L159 PolarHBondContact O-N 3.3Å; R157-A160 PolarHBondContact O-N 3.47Å; R157-N161 PolarHBondContact O-N 2.98Å; R157-N161 PolarHBondContact O-ND2 2.99Å
158	A	96.1	Very high	94.2	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-42.8	177.7	0	0	0	0	0	111.4	W115 A145 V146 F147 S154 V155 A160 N161 L162	W115-A158 HydrophobicContact CH2-CB 4.14Å; W115-A158 HydrophobicContact CZ3-CB 4.11Å; A145-A158 HydrophobicContact CB-CB 4.25Å; V146-A158 VanDerWaalsContact O-CB 3.23Å; V146-A158 WeakPolarHBondContact O-CB 3.48Å; F147-A158 HydrophobicContact CB-CB 4.14Å; S154-A158 WeakPolarHBondContact O-CB 3.45Å; S154-A158 PolarHBondContact O-N 2.82Å; V155-A158 PolarHBondContact O-N 2.91Å; A158-A160 VanDerWaalsContact C-N 3.33Å; A158-A160 PolarHBondContact O-N 3.42Å; A158-N161 CarbonylContact O-C 3.55Å; A158-N161 PolarHBondContact O-N 3.07Å; A158-L162 PolarHBondContact O-N 2.95Å
159	L	96.1	Very high	94.5	Very high	9 Å²	9	58 Å²	58	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-30	177.9	-168.9	67.2	0	0	0	113	L22 Y44 L46 M53 I113 W115 V155 L156 R157	L22-L159 HydrophobicContact CD1-CD2 4.34Å; L22-L159 HydrophobicContact CD2-CD2 3.86Å; Y44-L159 HydrophobicContact CD1-CD2 4.15Å; Y44-L159 HydrophobicContact CE1-CD2 3.35Å; L46-L159 HydrophobicContact CD1-CD1 3.69Å; L46-L159 HydrophobicContact CD1-CD2 4.18Å; L46-L159 HydrophobicContact CD1-CG 3.73Å; M53-L159 HydrophobicContact CE-CD1 4.16Å; M53-L159 HydrophobicContact CE-CD2 4.2Å; I113-L159 HydrophobicContact CD1-CD1 3.99Å; W115-L159 HydrophobicContact CH2-CB 4.47Å; W115-L159 HydrophobicContact CZ2-CD1 4.12Å; V155-L159 PolarHBondContact O-N 2.88Å; V155-L159 VanDerWaalsContact O-N 3.08Å; L156-L159 PolarHBondContact O-N 3.28Å; R157-L159 VanDerWaalsContact C-N 3.33Å; R157-L159 PolarHBondContact O-N 3.3Å
160	A	95.3	Very high	94.9	Very high	78 Å²	78	56.3 Å²	56.3	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-78.1	-19.5	175.7	0	0	0	0	0	113.6	L156 R157 A158	L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.36Å; R157-A160 PolarHBondContact O-N 3.47Å; A158-A160 VanDerWaalsContact C-N 3.33Å; A158-A160 PolarHBondContact O-N 3.42Å
161	N	95.4	Very high	95.2	Very high	110 Å²	110	57.2 Å²	57.2	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	-129.3	54.4	-175.6	-58.2	-80.5	0	0	0	110.5	R157 A158	R157-N161 PolarHBondContact O-N 2.98Å; R157-N161 PolarHBondContact O-ND2 2.99Å; A158-N161 CarbonylContact O-C 3.55Å; A158-N161 PolarHBondContact O-N 3.07Å
162	L	96.9	Very high	95.6	Very high	32 Å²	32	56.1 Å²	56.1	17%	0.168	29%	0.288	C	S	.	.			trans	-63.2	135.7	177.8	-68.2	175.5	0	0	0	110.8	I113 R143 A145 A158	I113-L162 HydrophobicContact CD1-CD1 3.84Å; I113-L162 HydrophobicContact CD1-CD2 4.5Å; I113-L162 HydrophobicContact CG1-CD1 4.36Å; I113-L162 HydrophobicContact CG2-CD2 3.75Å; R143-L162 HydrophobicContact CB-CB 4.17Å; R143-L162 HydrophobicContact CB-CD1 4.1Å; R143-L162 HydrophobicContact CG-CD1 4.3Å; A145-L162 HydrophobicContact CB-CD2 4.05Å; A158-L162 PolarHBondContact O-N 2.95Å
163	A	96.7	Very high	95.9	Very high	38 Å²	38	50.7 Å²	50.7	31%	0.314	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-106.6	175.4	178.2	0	0	0	0	0	111.6	R143 R144 V146	R143-A163 CarbonylContact C-O 3.5Å; R144-A163 PolarHBondContact N-O 3.48Å; R144-A163 PolarHBondContact O-N 3.17Å; V146-A163 HydrophobicContact CG2-CB 4.12Å
164	E	97.5	Very high	96.3	Very high	117 Å²	117	48.6 Å²	48.6	55%	0.547	25%	0.248	S	C	.	.			trans	-84.8	141.9	165.1	-69.4	-61.2	131.3	0	0	110.1	R143 N166	R143-E164 IonicContact CZ-OE1 3.99Å; R143-E164 IonicContact NH1-OE1 3.33Å; R143-E164 PolarHBondContact NH1-OE1 3.17Å; E164-N166 PolarHBondContact O-N 3.34Å
165	P	98.1	Very high	96.6	Very high	21 Å²	21	48 Å²	48	14%	0.136	24%	0.244	C	C	.	.			trans	-58.1	133.8	171.3	-20.7	30.9	0	0	0	112	E123 F127 I130 V142 R144 K167	E123-P165 WeakPolarHBondContact OE1-CA 3.32Å; F127-P165 HydrophobicContact CE2-CB 3.74Å; F127-P165 HydrophobicContact CZ-CB 3.73Å; I130-P165 HydrophobicContact CD1-CB 3.9Å; I130-P165 HydrophobicContact CD1-CG 3.68Å; V142-P165 HydrophobicContact CG1-CG 3.76Å; R144-P165 HydrophobicContact CB-CG 4.21Å; P165-K167 PolarHBondContact O-N 3.49Å
166	N	97	Very high	96.7	Very high	66 Å²	66	50.4 Å²	50.4	35%	0.353	25%	0.253	S	S	.	.			trans	-91	98	-175.5	-172.6	-12.6	0	0	0	111.7	E123 E164 R168 L169	E123-N166 HydrophobicContact CG-CB 4.46Å; E123-N166 WeakPolarHBondContact CG-O 3.35Å; E123-N166 PolarHBondContact OE1-N 3.06Å; E164-N166 PolarHBondContact O-N 3.34Å; N166-R168 PolarHBondContact O-N 3.08Å; N166-R168 VanDerWaalsContact O-N 3.15Å; N166-R168 WeakPolarHBondContact OD1-CB 3.36Å; N166-R168 PolarHBondContact OD1-N 3.37Å; N166-R168 VanDerWaalsContact OD1-N 3.08Å; N166-L169 HydrophobicContact CB-CD1 4.17Å; N166-L169 HydrophobicContact CB-CG 4.19Å; N166-L169 PolarHBondContact O-N 3.14Å
167	K	97.9	Very high	96.7	Very high	83 Å²	83	49.2 Å²	49.2	36%	0.361	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-28	-178.5	-173.7	56.1	-177.9	128.3	0	113.6	F127 P165 L169 S170 D171 D174	F127-K167 HydrophobicContact CD1-CD 3.72Å; F127-K167 HydrophobicContact CD2-CD 4.37Å; F127-K167 HydrophobicContact CE1-CB 4.07Å; F127-K167 HydrophobicContact CE1-CD 3.52Å; F127-K167 HydrophobicContact CE1-CG 4.29Å; F127-K167 HydrophobicContact CE2-CB 4.23Å; F127-K167 HydrophobicContact CE2-CD 4.21Å; F127-K167 HydrophobicContact CG-CD 4.15Å; F127-K167 VanDerWaalsContact CZ-CA 3.42Å; F127-K167 HydrophobicContact CZ-CB 3.61Å; F127-K167 HydrophobicContact CZ-CD 3.78Å; F127-K167 HydrophobicContact CZ-CG 4.27Å; P165-K167 PolarHBondContact O-N 3.49Å; K167-L169 PolarHBondContact O-N 2.95Å; K167-S170 PolarHBondContact NZ-OG 2.97Å; K167-S170 VanDerWaalsContact NZ-OG 3.12Å; K167-S170 PolarHBondContact O-N 3.42Å; K167-D171 WeakPolarHBondContact CE-OD1 3.42Å; K167-D171 IonicContact NZ-OD1 3.59Å; K167-D171 PolarHBondContact NZ-OD1 3.01Å; K167-D171 WeakPolarHBondContact O-CB 3.19Å; K167-D171 PolarHBondContact O-N 2.94Å; K167-D174 IonicContact NZ-OD2 3.75Å
168	R	97.5	Very high	96.9	Very high	135 Å²	135	43.1 Å²	43.1	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-39.1	-178.6	-61.8	176.5	-177.1	170.1	2.2	112.5	N166 D171 A172 I553	N166-R168 PolarHBondContact O-N 3.08Å; N166-R168 VanDerWaalsContact O-N 3.15Å; N166-R168 WeakPolarHBondContact OD1-CB 3.36Å; N166-R168 PolarHBondContact OD1-N 3.37Å; N166-R168 VanDerWaalsContact OD1-N 3.08Å; R168-D171 PolarHBondContact O-N 2.99Å; R168-A172 PolarHBondContact O-N 2.95Å; R168-A172 VanDerWaalsContact O-N 3.09Å; R168-I553 WeakPolarHBondContact CB-O 3.42Å
169	L	95.6	Very high	97	Very high	42 Å²	42	43 Å²	43	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-44.4	175.2	-58.8	-178.9	0	0	0	110.7	R120 E123 N166 K167 D171 A172 V173 C554	R120-L169 HydrophobicContact CG-CD2 4.4Å; E123-L169 HydrophobicContact CB-CB 4.02Å; E123-L169 HydrophobicContact CB-CD1 4.39Å; E123-L169 HydrophobicContact CG-CB 3.96Å; E123-L169 HydrophobicContact CG-CD1 4.22Å; N166-L169 HydrophobicContact CB-CD1 4.17Å; N166-L169 HydrophobicContact CB-CG 4.19Å; N166-L169 PolarHBondContact O-N 3.14Å; K167-L169 PolarHBondContact O-N 2.95Å; L169-D171 VanDerWaalsContact C-N 3.35Å; L169-D171 PolarHBondContact O-N 2.75Å; L169-A172 PolarHBondContact O-N 3.06Å; L169-V173 PolarHBondContact O-N 3.36Å; L169-C554 HydrophobicContact CD2-CB 3.66Å
170	S	97.4	Very high	97	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-42.8	174.7	163.3	0	0	0	0	112.1	N124 K167 A172 V173 D174	N124-S170 PolarHBondContact ND2-O 3.25Å; N124-S170 PolarHBondContact ND2-OG 3.33Å; K167-S170 PolarHBondContact NZ-OG 2.97Å; K167-S170 VanDerWaalsContact NZ-OG 3.12Å; K167-S170 PolarHBondContact O-N 3.42Å; S170-A172 VanDerWaalsContact C-N 3.33Å; S170-A172 PolarHBondContact O-N 2.83Å; S170-V173 PolarHBondContact O-N 3.44Å; S170-D174 PolarHBondContact O-N 3.26Å
171	D	98.2	Very high	97.1	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-34.3	179.3	-78.6	-23.5	0	0	0	112.8	K167 R168 L169 D174 C175 I553 K560	K167-D171 WeakPolarHBondContact CE-OD1 3.42Å; K167-D171 IonicContact NZ-OD1 3.59Å; K167-D171 PolarHBondContact NZ-OD1 3.01Å; K167-D171 WeakPolarHBondContact O-CB 3.19Å; K167-D171 PolarHBondContact O-N 2.94Å; R168-D171 PolarHBondContact O-N 2.99Å; L169-D171 VanDerWaalsContact C-N 3.35Å; L169-D171 PolarHBondContact O-N 2.75Å; D171-D174 PolarHBondContact O-N 3.37Å; D171-C175 VanDerWaalsContact O-CB 3.28Å; D171-C175 WeakPolarHBondContact O-CB 3.29Å; D171-C175 PolarHBondContact O-N 3.01Å; D171-I553 HydrophobicContact CB-CG2 4.04Å; D171-K560 HydrophobicContact CB-CB 4.31Å
172	A	97.2	Very high	97.2	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-41.1	173.5	0	0	0	0	0	111.7	R168 L169 S170 C175 R176 L550 I553 C554	R168-A172 PolarHBondContact O-N 2.95Å; R168-A172 VanDerWaalsContact O-N 3.09Å; L169-A172 PolarHBondContact O-N 3.06Å; S170-A172 VanDerWaalsContact C-N 3.33Å; S170-A172 PolarHBondContact O-N 2.83Å; A172-C175 WeakPolarHBondContact O-CB 3.36Å; A172-C175 PolarHBondContact O-N 2.89Å; A172-R176 PolarHBondContact O-N 3.31Å; A172-L550 WeakPolarHBondContact O-CD2 3.48Å; A172-I553 HydrophobicContact CB-CB 4.1Å; A172-I553 HydrophobicContact CB-CG2 4.06Å; A172-C554 WeakPolarHBondContact CB-SG 3.31Å
173	V	96.4	Very high	97.2	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-45.9	173.9	176.2	0	0	0	0	111	R120 N124 L169 S170 C175 R176 M177	R120-V173 HydrophobicContact CB-CG2 3.69Å; R120-V173 WeakPolarHBondContact O-CG2 3.47Å; N124-V173 HydrophobicContact CB-CB 3.79Å; N124-V173 HydrophobicContact CB-CG1 3.72Å; N124-V173 HydrophobicContact CB-CG2 4.12Å; L169-V173 PolarHBondContact O-N 3.36Å; S170-V173 PolarHBondContact O-N 3.44Å; V173-C175 VanDerWaalsContact C-N 3.28Å; V173-C175 PolarHBondContact O-N 3.06Å; V173-R176 WeakPolarHBondContact O-CB 3.3Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.14Å; V173-M177 HydrophobicContact CG1-CG 4.19Å; V173-M177 HydrophobicContact CG1-SD 3.81Å; V173-M177 WeakPolarHBondContact O-CB 3.29Å; V173-M177 VanDerWaalsContact O-CG 3.3Å; V173-M177 WeakPolarHBondContact O-CG 3.37Å; V173-M177 PolarHBondContact O-N 3.29Å
174	D	97.3	Very high	97.2	Very high	18 Å²	18	35.1 Å²	35.1	10%	0.096	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-40.4	176.2	-75.3	-21.4	0	0	0	111.4	K89 N124 K167 S170 D171 M177 E178 K560	K89-D174 WeakPolarHBondContact CE-OD1 3.48Å; K89-D174 IonicContact NZ-OD1 3.16Å; K89-D174 PolarHBondContact NZ-OD1 3.5Å; K89-D174 IonicContact NZ-OD2 3.11Å; N124-D174 VanDerWaalsContact ND2-CG 3.33Å; N124-D174 PolarHBondContact ND2-OD1 3.33Å; K167-D174 IonicContact NZ-OD2 3.75Å; S170-D174 PolarHBondContact O-N 3.26Å; D171-D174 PolarHBondContact O-N 3.37Å; D174-M177 PolarHBondContact O-N 3.36Å; D174-E178 WeakPolarHBondContact O-CB 3.47Å; D174-E178 PolarHBondContact O-N 2.78Å; D174-K560 HydrophobicContact CB-CD 4.04Å
175	C	97.6	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-48	174.5	-168.6	0	0	0	0	111.7	D171 A172 V173 L179 L550 I553 K560 L564	D171-C175 VanDerWaalsContact O-CB 3.28Å; D171-C175 WeakPolarHBondContact O-CB 3.29Å; D171-C175 PolarHBondContact O-N 3.01Å; A172-C175 WeakPolarHBondContact O-CB 3.36Å; A172-C175 PolarHBondContact O-N 2.89Å; V173-C175 VanDerWaalsContact C-N 3.28Å; V173-C175 PolarHBondContact O-N 3.06Å; C175-L179 PolarHBondContact O-N 2.75Å; C175-L550 HydrophobicContact CB-CD2 3.71Å; C175-I553 HydrophobicContact CB-CD1 3.86Å; C175-K560 HydrophobicContact CB-CD 4.47Å; C175-K560 HydrophobicContact CB-CG 3.86Å; C175-L564 WeakPolarHBondContact O-CD2 3.23Å
176	R	96.8	Very high	97.1	Very high	50 Å²	50	29.3 Å²	29.3	19%	0.189	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-52	177.9	-174.9	-173.7	64.6	72	-5.1	111	E121 A172 V173 E178 L179 D180 F546 L550	E121-R176 IonicContact OE1-CZ 2.72Å; E121-R176 IonicContact OE1-NE 3.22Å; E121-R176 IonicContact OE1-NH2 3.55Å; E121-R176 PolarHBondContact OE1-NH2 3.07Å; E121-R176 IonicContact OE2-NH2 3.67Å; E121-R176 PolarHBondContact OE2-NH2 2.79Å; A172-R176 PolarHBondContact O-N 3.31Å; V173-R176 WeakPolarHBondContact O-CB 3.3Å; V173-R176 PolarHBondContact O-N 2.92Å; V173-R176 VanDerWaalsContact O-N 3.14Å; R176-E178 VanDerWaalsContact C-N 3.34Å; R176-E178 PolarHBondContact O-N 3.29Å; R176-L179 PolarHBondContact O-N 2.68Å; R176-D180 WeakPolarHBondContact CG-OD2 3.3Å; R176-D180 IonicContact NH1-OD2 3.03Å; R176-D180 VanDerWaalsContact O-CB 3.29Å; R176-D180 WeakPolarHBondContact O-CB 3.35Å; R176-D180 VanDerWaalsContact O-CG 3.27Å; R176-D180 PolarHBondContact O-N 2.73Å; R176-F546 HydrophobicContact CG-CE1 4.44Å; R176-L550 HydrophobicContact CB-CD1 3.82Å; R176-L550 HydrophobicContact CB-CD2 4.48Å; R176-L550 HydrophobicContact CG-CD1 4.08Å
177	M	96.1	Very high	97.2	Very high	31 Å²	31	26.1 Å²	26.1	15%	0.153	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-44.9	-179.5	-70.2	174.9	72.7	0	0	111.8	L65 V173 D174 L181	L65-M177 HydrophobicContact CB-CE 4.26Å; L65-M177 HydrophobicContact CD2-CB 4.26Å; V173-M177 HydrophobicContact CG1-CG 4.19Å; V173-M177 HydrophobicContact CG1-SD 3.81Å; V173-M177 WeakPolarHBondContact O-CB 3.29Å; V173-M177 VanDerWaalsContact O-CG 3.3Å; V173-M177 WeakPolarHBondContact O-CG 3.37Å; V173-M177 PolarHBondContact O-N 3.29Å; D174-M177 PolarHBondContact O-N 3.36Å; M177-L181 VanDerWaalsContact O-CB 3.28Å; M177-L181 WeakPolarHBondContact O-CB 3.48Å; M177-L181 PolarHBondContact O-N 2.83Å
178	E	97.7	Very high	97.1	Very high	31 Å²	31	22.9 Å²	22.9	15%	0.145	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-47.4	179.5	175	162.7	173.5	0	0	112	L65 L87 D174 R176 D180 L181 R182 L564	L65-E178 HydrophobicContact CD2-CB 3.95Å; L87-E178 HydrophobicContact CD1-CB 4.36Å; L87-E178 HydrophobicContact CD1-CG 3.64Å; D174-E178 WeakPolarHBondContact O-CB 3.47Å; D174-E178 PolarHBondContact O-N 2.78Å; R176-E178 VanDerWaalsContact C-N 3.34Å; R176-E178 PolarHBondContact O-N 3.29Å; E178-D180 PolarHBondContact O-N 3.11Å; E178-L181 PolarHBondContact O-N 3.04Å; E178-R182 HydrophobicContact CG-CG 4.39Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 WeakPolarHBondContact O-CG 3.23Å; E178-R182 PolarHBondContact O-N 2.84Å; E178-R182 IonicContact OE1-CZ 2.61Å; E178-R182 VanDerWaalsContact OE1-CZ 3.32Å; E178-R182 IonicContact OE1-NE 3.53Å; E178-R182 PolarHBondContact OE1-NE 3.11Å; E178-R182 IonicContact OE1-NH2 2.67Å; E178-R182 PolarHBondContact OE1-NH2 2.88Å; E178-L564 HydrophobicContact CB-CD1 4.37Å; E178-L564 HydrophobicContact CB-CD2 4.04Å; E178-L564 HydrophobicContact CG-CD1 4.19Å; E178-L564 HydrophobicContact CG-CD2 3.96Å; E178-L564 WeakPolarHBondContact OE2-CD1 3.4Å
179	L	97.4	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-44.2	178.9	-171.7	72.2	0	0	0	111.4	C175 R176 L181 R182 T183 F546 L564 F567 R568 Y571	C175-L179 PolarHBondContact O-N 2.75Å; R176-L179 PolarHBondContact O-N 2.68Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.8Å; L179-R182 PolarHBondContact O-N 2.77Å; L179-T183 HydrophobicContact CD1-CG2 3.88Å; L179-T183 HydrophobicContact CG-CG2 4.06Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 VanDerWaalsContact O-CG2 3.31Å; L179-T183 WeakPolarHBondContact O-CG2 3.48Å; L179-T183 PolarHBondContact O-N 3.14Å; L179-T183 PolarHBondContact O-OG1 3.19Å; L179-F546 HydrophobicContact CB-CE1 4.24Å; L179-F546 HydrophobicContact CB-CE2 4.27Å; L179-F546 HydrophobicContact CB-CZ 3.73Å; L179-F546 HydrophobicContact CD2-CD1 3.72Å; L179-F546 HydrophobicContact CD2-CD2 3.55Å; L179-F546 HydrophobicContact CD2-CE1 3.55Å; L179-F546 HydrophobicContact CD2-CE2 3.4Å; L179-F546 VanDerWaalsContact CD2-CE2 3.4Å; L179-F546 HydrophobicContact CD2-CG 3.71Å; L179-F546 HydrophobicContact CD2-CZ 3.37Å; L179-F546 HydrophobicContact CG-CE1 4.48Å; L179-F546 HydrophobicContact CG-CE2 4.42Å; L179-F546 HydrophobicContact CG-CZ 4.18Å; L179-L564 HydrophobicContact CB-CD2 4.29Å; L179-F567 HydrophobicContact CD1-CB 3.83Å; L179-F567 HydrophobicContact CD2-CB 3.82Å; L179-F567 HydrophobicContact CD2-CD1 4.43Å; L179-F567 HydrophobicContact CD2-CG 4.32Å; L179-R568 HydrophobicContact CD1-CG 4.28Å; L179-Y571 HydrophobicContact CD1-CD2 4.14Å; L179-Y571 HydrophobicContact CD2-CD2 4.29Å; L179-Y571 HydrophobicContact CD2-CE2 3.97Å
180	D	96.8	Very high	97.2	Very high	36 Å²	36	15.9 Å²	15.9	19%	0.193	8%	0.083	C	C	.	.	H	α-helix	trans	-64.2	-38.2	179.9	-72.4	-18.3	0	0	0	111.5	R176 E178 G184 S212 R543	R176-D180 WeakPolarHBondContact CG-OD2 3.3Å; R176-D180 IonicContact NH1-OD2 3.03Å; R176-D180 VanDerWaalsContact O-CB 3.29Å; R176-D180 WeakPolarHBondContact O-CB 3.35Å; R176-D180 VanDerWaalsContact O-CG 3.27Å; R176-D180 PolarHBondContact O-N 2.73Å; E178-D180 PolarHBondContact O-N 3.11Å; D180-G184 VanDerWaalsContact O-CA 3.23Å; D180-G184 WeakPolarHBondContact O-CA 3.49Å; D180-G184 PolarHBondContact O-N 2.86Å; D180-S212 PolarHBondContact OD1-OG 2.7Å; D180-R543 IonicContact OD1-CZ 3.28Å; D180-R543 IonicContact OD1-NH1 2.82Å; D180-R543 PolarHBondContact OD1-NH1 3.22Å; D180-R543 IonicContact OD2-NH1 2.71Å
181	L	97.1	Very high	97.1	Very high	43 Å²	43	15.9 Å²	15.9	23%	0.225	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-47.1	174	176.8	62.8	0	0	0	112	L65 Y67 L87 M177 E178 L179 A185	L65-L181 HydrophobicContact CD2-CD2 4.31Å; L65-L181 HydrophobicContact CG-CD2 4.05Å; Y67-L181 HydrophobicContact CD2-CD1 4.48Å; Y67-L181 HydrophobicContact CE2-CD1 3.97Å; Y67-L181 HydrophobicContact CE2-CD2 4.31Å; Y67-L181 HydrophobicContact CE2-CG 3.93Å; L87-L181 HydrophobicContact CD1-CD2 4.19Å; L87-L181 HydrophobicContact CD2-CD2 3.73Å; M177-L181 VanDerWaalsContact O-CB 3.28Å; M177-L181 WeakPolarHBondContact O-CB 3.48Å; M177-L181 PolarHBondContact O-N 2.83Å; E178-L181 PolarHBondContact O-N 3.04Å; L179-L181 VanDerWaalsContact C-N 3.34Å; L179-L181 PolarHBondContact O-N 2.8Å; L181-A185 WeakPolarHBondContact O-CB 3.2Å; L181-A185 PolarHBondContact O-N 3.26Å
182	R	97.5	Very high	97	Very high	11 Å²	11	14.2 Å²	14.2	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-62.8	-56.5	-177.9	-73.3	-177	-176.2	-71.3	2.1	111.6	Y67 L82 F83 A85 L87 E178 L179 A186	Y67-R182 WeakPolarHBondContact OH-CA 3.46Å; L82-R182 PolarHBondContact O-NH1 3.06Å; F83-R182 WeakPolarHBondContact O-CD 3.36Å; F83-R182 PolarHBondContact O-NH1 3.31Å; F83-R182 VanDerWaalsContact O-NH1 3.16Å; A85-R182 PolarHBondContact O-NH1 3.32Å; A85-R182 PolarHBondContact O-NH2 2.86Å; A85-R182 VanDerWaalsContact O-NH2 3.13Å; L87-R182 HydrophobicContact CD1-CG 4.44Å; E178-R182 HydrophobicContact CG-CG 4.39Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 WeakPolarHBondContact O-CG 3.23Å; E178-R182 PolarHBondContact O-N 2.84Å; E178-R182 IonicContact OE1-CZ 2.61Å; E178-R182 VanDerWaalsContact OE1-CZ 3.32Å; E178-R182 IonicContact OE1-NE 3.53Å; E178-R182 PolarHBondContact OE1-NE 3.11Å; E178-R182 IonicContact OE1-NH2 2.67Å; E178-R182 PolarHBondContact OE1-NH2 2.88Å; L179-R182 PolarHBondContact O-N 2.77Å; R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.74Å
183	T	97	Very high	96.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-45.5	-179.1	60.7	0	0	0	0	110.9	F83 L179 A185 A186 F187 Y571	F83-T183 HydrophobicContact CE1-CG2 4.34Å; L179-T183 HydrophobicContact CD1-CG2 3.88Å; L179-T183 HydrophobicContact CG-CG2 4.06Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 VanDerWaalsContact O-CG2 3.31Å; L179-T183 WeakPolarHBondContact O-CG2 3.48Å; L179-T183 PolarHBondContact O-N 3.14Å; L179-T183 PolarHBondContact O-OG1 3.19Å; T183-A185 PolarHBondContact O-N 3.46Å; T183-A186 PolarHBondContact O-N 2.84Å; T183-F187 WeakPolarHBondContact O-CD2 3.44Å; T183-F187 PolarHBondContact O-N 3.47Å; T183-F187 VanDerWaalsContact O-N 3.11Å; T183-Y571 HydrophobicContact CG2-CD1 3.84Å; T183-Y571 HydrophobicContact CG2-CD2 3.71Å; T183-Y571 HydrophobicContact CG2-CE1 4.44Å; T183-Y571 HydrophobicContact CG2-CE2 4.32Å; T183-Y571 HydrophobicContact CG2-CG 3.43Å; T183-Y571 VanDerWaalsContact CG2-CG 3.43Å
184	G	96.9	Very high	96.8	Very high	11 Å²	11	20 Å²	20	11%	0.113	10%	0.099	C	C	.	.	H	α-helix	trans	-57.1	-49.4	177.8	0	0	0	0	0	111.8	D180 T188	D180-G184 VanDerWaalsContact O-CA 3.23Å; D180-G184 WeakPolarHBondContact O-CA 3.49Å; D180-G184 PolarHBondContact O-N 2.86Å; G184-T188 WeakPolarHBondContact O-CB 3.34Å; G184-T188 PolarHBondContact O-N 3.08Å; G184-T188 PolarHBondContact O-OG1 2.81Å
185	A	97	Very high	96.7	Very high	16 Å²	16	19.1 Å²	19.1	13%	0.132	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-50	178.7	0	0	0	0	0	112.3	Y67 L82 L181 T183 T188 R189	Y67-A185 HydrophobicContact CE2-CB 3.75Å; L82-A185 HydrophobicContact CD1-CB 4.24Å; L181-A185 WeakPolarHBondContact O-CB 3.2Å; L181-A185 PolarHBondContact O-N 3.26Å; T183-A185 PolarHBondContact O-N 3.46Å; A185-T188 PolarHBondContact O-N 3.45Å; A185-R189 WeakPolarHBondContact O-CB 3.29Å; A185-R189 WeakPolarHBondContact O-CG 3.39Å; A185-R189 PolarHBondContact O-N 3.19Å
186	A	97.4	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.8	-55.7	-176.5	0	0	0	0	0	112.2	I79 F83 R182 T183 F190 Y575	I79-A186 HydrophobicContact CG2-CB 4.31Å; I79-A186 VanDerWaalsContact CG2-O 3.23Å; I79-A186 WeakPolarHBondContact CG2-O 3.49Å; F83-A186 HydrophobicContact CD2-CB 4.23Å; F83-A186 HydrophobicContact CE2-CB 3.54Å; F83-A186 HydrophobicContact CZ-CB 3.79Å; R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.74Å; T183-A186 PolarHBondContact O-N 2.84Å; A186-F190 WeakPolarHBondContact O-CB 3.26Å; A186-F190 PolarHBondContact O-N 3.36Å; A186-F190 VanDerWaalsContact O-N 3.11Å; A186-Y575 HydrophobicContact CB-CD2 4.21Å; A186-Y575 HydrophobicContact CB-CE2 4.21Å
187	F	97.6	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.5	-40.3	-179.3	-75.5	-82.4	0	0	0	112.3	F83 T183 F190 Q191 Y210 Y530 M537 Y571 L574 Y575 V578	F83-F187 HydrophobicContact CZ-CE2 4.24Å; T183-F187 WeakPolarHBondContact O-CD2 3.44Å; T183-F187 PolarHBondContact O-N 3.47Å; T183-F187 VanDerWaalsContact O-N 3.11Å; F187-F190 PolarHBondContact O-N 3.48Å; F187-Q191 VanDerWaalsContact O-CG 3.26Å; F187-Q191 WeakPolarHBondContact O-CG 3.37Å; F187-Q191 PolarHBondContact O-N 3.44Å; F187-Y210 VanDerWaalsContact CB-CB 3.47Å; F187-Y210 HydrophobicContact CB-CD1 3.46Å; F187-Y210 VanDerWaalsContact CB-CD1 3.46Å; F187-Y210 HydrophobicContact CB-CD2 4.23Å; F187-Y210 HydrophobicContact CB-CE1 4.3Å; F187-Y210 HydrophobicContact CB-CG 3.43Å; F187-Y210 VanDerWaalsContact CB-CG 3.43Å; F187-Y210 AromaticContact CD2-CD1 3.84Å; F187-Y210 HydrophobicContact CD2-CD1 3.84Å; F187-Y210 AromaticContact CD2-CE1 3.85Å; F187-Y210 HydrophobicContact CD2-CE1 3.85Å; F187-Y210 HydrophobicContact CD2-CG 4.49Å; F187-Y210 HydrophobicContact CE2-CE1 4.46Å; F187-Y210 AromaticContact CG-CD1 3.82Å; F187-Y210 HydrophobicContact CG-CD1 3.82Å; F187-Y210 HydrophobicContact CG-CE1 4.17Å; F187-Y210 HydrophobicContact CG-CG 4.01Å; F187-Y530 HydrophobicContact CD1-CE1 4.08Å; F187-Y530 HydrophobicContact CE1-CE1 4.14Å; F187-M537 HydrophobicContact CD1-CE 4.12Å; F187-M537 HydrophobicContact CD2-CE 4.46Å; F187-M537 HydrophobicContact CE1-CE 3.62Å; F187-M537 HydrophobicContact CE1-SD 4.15Å; F187-M537 HydrophobicContact CE2-CE 4.01Å; F187-M537 HydrophobicContact CZ-CE 3.54Å; F187-M537 HydrophobicContact CZ-SD 4.23Å; F187-Y571 HydrophobicContact CE2-CD1 4.2Å; F187-L574 HydrophobicContact CZ-CB 4.29Å; F187-Y575 HydrophobicContact CD1-CD2 4.06Å; F187-Y575 HydrophobicContact CD2-CD2 4.4Å; F187-Y575 AromaticContact CE1-CD2 3.99Å; F187-Y575 HydrophobicContact CE1-CD2 3.99Å; F187-Y575 HydrophobicContact CE2-CD2 4.34Å; F187-Y575 HydrophobicContact CG-CD2 4.27Å; F187-Y575 VanDerWaalsContact CZ-CA 3.48Å; F187-Y575 HydrophobicContact CZ-CD2 4.15Å; F187-Y575 HydrophobicContact CZ-CG 4.39Å; F187-V578 HydrophobicContact CE1-CB 4.27Å; F187-V578 HydrophobicContact CE1-CG1 4.46Å; F187-V578 HydrophobicContact CE1-CG2 4.17Å
188	T	97.7	Very high	96.2	Very high	14 Å²	14	28.5 Å²	28.5	9%	0.086	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-47.2	178.1	-65.7	0	0	0	0	111.6	W74 G184 A185 T192 L207 S209 Y210	W74-T188 HydrophobicContact CH2-CG2 3.75Å; W74-T188 HydrophobicContact CZ2-CG2 4.42Å; G184-T188 WeakPolarHBondContact O-CB 3.34Å; G184-T188 PolarHBondContact O-N 3.08Å; G184-T188 PolarHBondContact O-OG1 2.81Å; A185-T188 PolarHBondContact O-N 3.45Å; T188-T192 WeakPolarHBondContact O-CB 3.2Å; T188-T192 PolarHBondContact O-N 2.92Å; T188-T192 PolarHBondContact O-OG1 3.01Å; T188-L207 HydrophobicContact CG2-CD1 3.52Å; T188-S209 WeakPolarHBondContact OG1-CA 3.49Å; T188-Y210 PolarHBondContact OG1-N 2.76Å; T188-Y210 PolarHBondContact OG1-O 2.85Å
189	R	97.2	Very high	96	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-48.4	179.7	-70.7	-167.5	-168.7	-176.4	3	110.6	Y71 R72 N73 W74 I79 A185 L193	Y71-R189 VanDerWaalsContact O-CZ 3.3Å; Y71-R189 PolarHBondContact O-NH1 3.05Å; Y71-R189 PolarHBondContact O-NH2 3.41Å; R72-R189 PolarHBondContact O-NH2 3.15Å; N73-R189 PolarHBondContact O-NH1 2.84Å; W74-R189 HydrophobicContact CD2-CB 4.4Å; W74-R189 HydrophobicContact CD2-CG 3.55Å; W74-R189 HydrophobicContact CE3-CB 4.06Å; W74-R189 HydrophobicContact CE3-CG 3.66Å; W74-R189 HydrophobicContact CG-CG 4Å; W74-R189 HydrophobicContact CH2-CG 4.16Å; W74-R189 HydrophobicContact CZ2-CG 4.07Å; W74-R189 HydrophobicContact CZ3-CB 4.28Å; W74-R189 HydrophobicContact CZ3-CG 3.97Å; I79-R189 HydrophobicContact CD1-CB 4.06Å; I79-R189 HydrophobicContact CG1-CB 4.38Å; I79-R189 HydrophobicContact CG2-CB 4.22Å; A185-R189 WeakPolarHBondContact O-CB 3.29Å; A185-R189 WeakPolarHBondContact O-CG 3.39Å; A185-R189 PolarHBondContact O-N 3.19Å; R189-L193 WeakPolarHBondContact O-CB 3.23Å; R189-L193 WeakPolarHBondContact O-CG 3.42Å; R189-L193 PolarHBondContact O-N 3.11Å
190	F	96.8	Very high	95.5	Very high	20 Å²	20	28.9 Å²	28.9	9%	0.088	15%	0.146	C	C	.	.	H	α-helix	trans	-56.4	-58.7	179.7	168.6	-102.5	0	0	0	111.9	I79 A186 F187 T192 L193 R194 Y575 V578 V579 A582	I79-F190 HydrophobicContact CD1-CB 4.18Å; I79-F190 HydrophobicContact CG2-CB 4.45Å; A186-F190 WeakPolarHBondContact O-CB 3.26Å; A186-F190 PolarHBondContact O-N 3.36Å; A186-F190 VanDerWaalsContact O-N 3.11Å; F187-F190 PolarHBondContact O-N 3.48Å; F190-T192 PolarHBondContact O-N 3.18Å; F190-L193 PolarHBondContact O-N 3.04Å; F190-R194 WeakPolarHBondContact O-CB 3.46Å; F190-R194 PolarHBondContact O-N 3.47Å; F190-Y575 HydrophobicContact CB-CE2 3.82Å; F190-Y575 HydrophobicContact CG-CE2 4.21Å; F190-V578 HydrophobicContact CD1-CG1 4.16Å; F190-V578 HydrophobicContact CE1-CG1 3.62Å; F190-V578 HydrophobicContact CZ-CG1 4.42Å; F190-V579 HydrophobicContact CD2-CG2 3.84Å; F190-V579 HydrophobicContact CE2-CB 4.24Å; F190-V579 HydrophobicContact CE2-CG1 4.3Å; F190-V579 HydrophobicContact CE2-CG2 3.7Å; F190-V579 HydrophobicContact CG-CG2 4.35Å; F190-V579 HydrophobicContact CZ-CB 4.5Å; F190-V579 HydrophobicContact CZ-CG2 4.12Å; F190-A582 HydrophobicContact CE2-CB 4.46Å; F190-A582 HydrophobicContact CZ-CB 3.68Å
191	Q	96.3	Very high	94.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-33.1	-174.4	76.5	-169.2	13	0	0	111.9	F187 L195 I208 S209 Y530 L585	F187-Q191 VanDerWaalsContact O-CG 3.26Å; F187-Q191 WeakPolarHBondContact O-CG 3.37Å; F187-Q191 PolarHBondContact O-N 3.44Å; Q191-L195 HydrophobicContact CB-CD1 4.28Å; Q191-L195 WeakPolarHBondContact O-CB 3.15Å; Q191-L195 WeakPolarHBondContact O-CG 3.46Å; Q191-L195 PolarHBondContact O-N 3.11Å; Q191-I208 HydrophobicContact CG-CB 4.15Å; Q191-I208 HydrophobicContact CG-CG2 3.96Å; Q191-I208 VanDerWaalsContact CG-O 3.25Å; Q191-I208 WeakPolarHBondContact CG-O 3.32Å; Q191-I208 VanDerWaalsContact NE2-C 3.34Å; Q191-I208 PolarHBondContact NE2-O 2.98Å; Q191-S209 PolarHBondContact NE2-O 3.31Å; Q191-Y530 PolarHBondContact OE1-OH 3.19Å; Q191-L585 HydrophobicContact CB-CD2 4.4Å
192	T	95.9	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-47.1	177.1	-64.1	0	0	0	0	111.5	W74 T188 F190 R196 L207 I208	W74-T192 HydrophobicContact CH2-CG2 4.42Å; W74-T192 HydrophobicContact CZ3-CG2 3.81Å; T188-T192 WeakPolarHBondContact O-CB 3.2Å; T188-T192 PolarHBondContact O-N 2.92Å; T188-T192 PolarHBondContact O-OG1 3.01Å; F190-T192 PolarHBondContact O-N 3.18Å; T192-R196 HydrophobicContact CG2-CG 4.44Å; T192-R196 VanDerWaalsContact O-CB 3.22Å; T192-R196 WeakPolarHBondContact O-CB 3.06Å; T192-R196 WeakPolarHBondContact O-CD 2.93Å; T192-R196 WeakPolarHBondContact O-CG 3.35Å; T192-R196 PolarHBondContact O-N 3.48Å; T192-R196 VanDerWaalsContact O-N 3.13Å; T192-L207 HydrophobicContact CG2-CD1 4.28Å; T192-I208 HydrophobicContact CG2-CD1 4.24Å; T192-I208 PolarHBondContact OG1-N 2.98Å; T192-I208 PolarHBondContact OG1-O 3.45Å
193	L	94.8	Very high	93.8	Very high	56 Å²	56	34.4 Å²	34.4	29%	0.293	17%	0.17	S	C	.	.	H	α-helix	trans	-64.6	-45.4	179.8	-69.1	172	0	0	0	110.9	W74 I79 R189 F190 Q197	W74-L193 HydrophobicContact CE3-CD2 4.43Å; W74-L193 HydrophobicContact CE3-CG 4.29Å; I79-L193 HydrophobicContact CD1-CD1 4.09Å; R189-L193 WeakPolarHBondContact O-CB 3.23Å; R189-L193 WeakPolarHBondContact O-CG 3.42Å; R189-L193 PolarHBondContact O-N 3.11Å; F190-L193 PolarHBondContact O-N 3.04Å; L193-Q197 PolarHBondContact O-N 3.42Å
194	R	94.8	Very high	93.1	Very high	70 Å²	70	40.5 Å²	40.5	26%	0.264	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-56.4	178.2	-175.4	-178.8	-176.1	91.7	-2.5	112.1	F190 R196 Q197 V198 A582 D586	F190-R194 WeakPolarHBondContact O-CB 3.46Å; F190-R194 PolarHBondContact O-N 3.47Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 2.89Å; R194-Q197 WeakPolarHBondContact O-CA 3.14Å; R194-Q197 WeakPolarHBondContact O-CB 3.47Å; R194-Q197 PolarHBondContact O-N 3.44Å; R194-V198 HydrophobicContact CG-CG2 4.17Å; R194-V198 WeakPolarHBondContact O-CG2 3.28Å; R194-V198 PolarHBondContact O-N 2.9Å; R194-A582 PolarHBondContact NE-O 3.05Å; R194-D586 IonicContact CZ-OD1 2.85Å; R194-D586 IonicContact CZ-OD2 3.23Å; R194-D586 VanDerWaalsContact NE-CG 3.33Å; R194-D586 IonicContact NE-OD1 3.92Å; R194-D586 PolarHBondContact NE-OD1 3.15Å; R194-D586 IonicContact NE-OD2 2.7Å; R194-D586 PolarHBondContact NE-OD2 2.9Å; R194-D586 VanDerWaalsContact NE-OD2 3.07Å; R194-D586 IonicContact NH2-OD1 3.34Å; R194-D586 IonicContact NH2-OD2 3.77Å; R194-D586 PolarHBondContact NH2-OD2 3.1Å
195	L	95	Very high	92.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-71.7	-24.9	-170.4	-61.9	176.3	0	0	0	112.9	Q191 Q197 F199 L203 I208 L526 L585 L589	Q191-L195 HydrophobicContact CB-CD1 4.28Å; Q191-L195 WeakPolarHBondContact O-CB 3.15Å; Q191-L195 WeakPolarHBondContact O-CG 3.46Å; Q191-L195 PolarHBondContact O-N 3.11Å; L195-Q197 VanDerWaalsContact C-N 3.32Å; L195-F199 HydrophobicContact CD2-CD2 4.09Å; L195-F199 HydrophobicContact CD2-CE2 3.97Å; L195-F199 WeakPolarHBondContact O-CA 3.25Å; L195-F199 WeakPolarHBondContact O-CB 3.32Å; L195-F199 PolarHBondContact O-N 2.63Å; L195-L203 HydrophobicContact CB-CD1 3.8Å; L195-I208 HydrophobicContact CB-CD1 4.27Å; L195-I208 HydrophobicContact CD1-CG2 4.23Å; L195-L526 HydrophobicContact CD1-CD2 3.98Å; L195-L585 HydrophobicContact CD1-CD2 4.32Å; L195-L585 HydrophobicContact CD2-CD2 4.36Å; L195-L585 HydrophobicContact CD2-CG 4.34Å; L195-L589 HydrophobicContact CD1-CD2 3.78Å; L195-L589 HydrophobicContact CD2-CD1 4.5Å; L195-L589 HydrophobicContact CD2-CD2 4Å; L195-L589 HydrophobicContact CG-CD2 4.4Å
196	R	93.8	Very high	91.8	Very high	83 Å²	83	50.9 Å²	50.9	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-35.4	168	-79.4	176.9	174.3	-170.3	-9.9	112.6	T192 R194 A200 L203 Q204 K206 I208	T192-R196 HydrophobicContact CG2-CG 4.44Å; T192-R196 VanDerWaalsContact O-CB 3.22Å; T192-R196 WeakPolarHBondContact O-CB 3.06Å; T192-R196 WeakPolarHBondContact O-CD 2.93Å; T192-R196 WeakPolarHBondContact O-CG 3.35Å; T192-R196 PolarHBondContact O-N 3.48Å; T192-R196 VanDerWaalsContact O-N 3.13Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 2.89Å; R196-A200 WeakPolarHBondContact O-CA 3.44Å; R196-A200 WeakPolarHBondContact O-CB 3.43Å; R196-A200 PolarHBondContact O-N 3.46Å; R196-L203 WeakPolarHBondContact CG-O 3.43Å; R196-Q204 WeakPolarHBondContact CD-O 3.31Å; R196-Q204 PolarHBondContact NE-O 2.88Å; R196-Q204 VanDerWaalsContact NE-O 3.14Å; R196-K206 VanDerWaalsContact CZ-O 3.25Å; R196-K206 PolarHBondContact NE-O 3.01Å; R196-K206 PolarHBondContact NH2-O 2.85Å; R196-I208 HydrophobicContact CG-CD1 4.37Å
197	Q	92.2	Very high	91.6	Very high	163 Å²	163	53.9 Å²	53.9	76%	0.762	26%	0.26	S	S	*	.	H	α-helix	trans	-74	-45.6	177.1	-174.4	178.8	1.7	0	0	110.9	L193 R194 L195	L193-Q197 PolarHBondContact O-N 3.42Å; R194-Q197 WeakPolarHBondContact O-CA 3.14Å; R194-Q197 WeakPolarHBondContact O-CB 3.47Å; R194-Q197 PolarHBondContact O-N 3.44Å; L195-Q197 VanDerWaalsContact C-N 3.32Å
198	V	94	Very high	91.5	Very high	31 Å²	31	53.9 Å²	53.9	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-45.1	-177.5	179.6	0	0	0	0	111.4	R194 D586 T596	R194-V198 HydrophobicContact CG-CG2 4.17Å; R194-V198 WeakPolarHBondContact O-CG2 3.28Å; R194-V198 PolarHBondContact O-N 2.9Å; V198-D586 HydrophobicContact CG1-CB 4.21Å; V198-T596 HydrophobicContact CG1-CG2 4.18Å; V198-T596 WeakPolarHBondContact O-CG2 3.43Å
199	F	92.1	Very high	91.4	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	49	-176.6	-56.4	-79.3	0	0	0	112.1	L195 H201 H202 L203 D586 L589 M590 F593 T596	L195-F199 HydrophobicContact CD2-CD2 4.09Å; L195-F199 HydrophobicContact CD2-CE2 3.97Å; L195-F199 WeakPolarHBondContact O-CA 3.25Å; L195-F199 WeakPolarHBondContact O-CB 3.32Å; L195-F199 PolarHBondContact O-N 2.63Å; F199-H201 VanDerWaalsContact C-N 3.29Å; F199-H201 PolarHBondContact O-N 3.35Å; F199-H202 HydrophobicContact CB-CB 4.29Å; F199-H202 PolarHBondContact O-N 3.29Å; F199-L203 HydrophobicContact CB-CD1 4.04Å; F199-L203 HydrophobicContact CB-CG 4.16Å; F199-L203 HydrophobicContact CD2-CD1 4.38Å; F199-L203 PolarHBondContact O-N 3.24Å; F199-D586 WeakPolarHBondContact CZ-O 3.42Å; F199-L589 HydrophobicContact CD2-CB 4.36Å; F199-L589 HydrophobicContact CD2-CD2 4.38Å; F199-L589 HydrophobicContact CE1-CB 4.47Å; F199-L589 HydrophobicContact CE2-CB 3.56Å; F199-L589 HydrophobicContact CE2-CD2 4.24Å; F199-L589 HydrophobicContact CZ-CB 3.64Å; F199-M590 HydrophobicContact CE1-CB 4.21Å; F199-M590 HydrophobicContact CZ-CB 4.18Å; F199-F593 HydrophobicContact CB-CD2 4.49Å; F199-F593 HydrophobicContact CD1-CB 4.05Å; F199-F593 HydrophobicContact CD1-CD2 4.01Å; F199-F593 HydrophobicContact CE1-CB 4.27Å; F199-F593 HydrophobicContact CE1-CD2 4.4Å; F199-F593 HydrophobicContact CG-CD2 4.1Å; F199-T596 HydrophobicContact CD1-CG2 3.54Å; F199-T596 HydrophobicContact CE1-CG2 3.55Å; F199-T596 HydrophobicContact CG-CG2 4.42Å; F199-T596 HydrophobicContact CZ-CG2 4.43Å
200	A	87.1	Confident	91.4	Very high	37 Å²	37	53.4 Å²	53.4	31%	0.306	26%	0.258	S	S	.	.	H	α-helix	trans	-49.1	-48.1	-175.4	0	0	0	0	0	112.8	R196 H202 L203 Q204	R196-A200 WeakPolarHBondContact O-CA 3.44Å; R196-A200 WeakPolarHBondContact O-CB 3.43Å; R196-A200 PolarHBondContact O-N 3.46Å; A200-H202 PolarHBondContact O-N 2.86Å; A200-H202 VanDerWaalsContact O-N 3.09Å; A200-L203 PolarHBondContact O-N 3.14Å; A200-Q204 VanDerWaalsContact O-CB 3.24Å; A200-Q204 WeakPolarHBondContact O-CB 3.22Å; A200-Q204 PolarHBondContact O-N 3.3Å; A200-Q204 VanDerWaalsContact O-N 3.11Å
201	H	85	Confident	91.4	Very high	135 Å²	135	53.1 Å²	53.1	63%	0.625	26%	0.26	S	S	*	.	H	α-helix	trans	-60	-24.1	179.2	-66.4	-58.3	0	0	0	114.8	F199 D597	F199-H201 VanDerWaalsContact C-N 3.29Å; F199-H201 PolarHBondContact O-N 3.35Å; H201-D597 IonicContact CD2-OD2 3.94Å; H201-D597 IonicContact NE2-OD2 2.87Å
202	H	84.1	Confident	91.4	Very high	68 Å²	68	53.3 Å²	53.3	32%	0.315	26%	0.262	S	S	.	.	H	α-helix	trans	-102.7	-31.9	-177.5	-62.4	97.1	0	0	0	112.9	F199 A200 F593	F199-H202 HydrophobicContact CB-CB 4.29Å; F199-H202 PolarHBondContact O-N 3.29Å; A200-H202 PolarHBondContact O-N 2.86Å; A200-H202 VanDerWaalsContact O-N 3.09Å; H202-F593 HydrophobicContact CB-CD1 4.47Å; H202-F593 HydrophobicContact CB-CD2 4.44Å; H202-F593 HydrophobicContact CB-CG 4.38Å; H202-F593 PolarHBondContact CE1-O 3.36Å
203	L	88.3	Confident	91.4	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-127.3	-1.3	-162.8	-61.3	-176.8	0	0	0	115.7	L195 R196 F199 A200 D205 K206 I208 L522 L589 F593	L195-L203 HydrophobicContact CB-CD1 3.8Å; R196-L203 WeakPolarHBondContact CG-O 3.43Å; F199-L203 HydrophobicContact CB-CD1 4.04Å; F199-L203 HydrophobicContact CB-CG 4.16Å; F199-L203 HydrophobicContact CD2-CD1 4.38Å; F199-L203 PolarHBondContact O-N 3.24Å; A200-L203 PolarHBondContact O-N 3.14Å; L203-D205 VanDerWaalsContact C-N 3.26Å; L203-D205 PolarHBondContact O-N 3.1Å; L203-K206 HydrophobicContact CD2-CB 4.35Å; L203-K206 HydrophobicContact CD2-CG 4.36Å; L203-K206 WeakPolarHBondContact O-CB 3.39Å; L203-K206 PolarHBondContact O-N 3.46Å; L203-I208 HydrophobicContact CB-CD1 4.46Å; L203-I208 HydrophobicContact CD1-CD1 4.32Å; L203-L522 HydrophobicContact CD1-CD1 4.3Å; L203-L522 HydrophobicContact CD2-CD1 4.36Å; L203-L522 HydrophobicContact CD2-CD2 4.19Å; L203-L589 HydrophobicContact CD1-CD2 4.35Å; L203-F593 HydrophobicContact CD1-CE2 4.08Å; L203-F593 HydrophobicContact CD2-CE2 4.23Å; L203-F593 HydrophobicContact CD2-CZ 4.26Å; L203-F593 HydrophobicContact CG-CE2 4.27Å
204	Q	80.4	Confident	91.5	Very high	129 Å²	129	51.4 Å²	51.4	60%	0.603	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-40.3	-171.1	-172.2	168.3	6.8	0	0	114.9	R196 A200	R196-Q204 WeakPolarHBondContact CD-O 3.31Å; R196-Q204 PolarHBondContact NE-O 2.88Å; R196-Q204 VanDerWaalsContact NE-O 3.14Å; A200-Q204 VanDerWaalsContact O-CB 3.24Å; A200-Q204 WeakPolarHBondContact O-CB 3.22Å; A200-Q204 PolarHBondContact O-N 3.3Å; A200-Q204 VanDerWaalsContact O-N 3.11Å
205	D	82.2	Confident	91.6	Very high	145 Å²	145	48.3 Å²	48.3	78%	0.775	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	7.7	-179.6	-60.8	-42.6	0	0	0	114.2	L203	L203-D205 VanDerWaalsContact C-N 3.26Å; L203-D205 PolarHBondContact O-N 3.1Å
206	K	86.1	Confident	91.8	Very high	100 Å²	100	48.4 Å²	48.4	44%	0.435	24%	0.24	S	C	.	.			trans	-95.6	129.2	-174.9	-64.4	-66.4	-176.2	177	0	111.3	R196 L203 I208	R196-K206 VanDerWaalsContact CZ-O 3.25Å; R196-K206 PolarHBondContact NE-O 3.01Å; R196-K206 PolarHBondContact NH2-O 2.85Å; L203-K206 HydrophobicContact CD2-CB 4.35Å; L203-K206 HydrophobicContact CD2-CG 4.36Å; L203-K206 WeakPolarHBondContact O-CB 3.39Å; L203-K206 PolarHBondContact O-N 3.46Å; K206-I208 WeakPolarHBondContact O-CD1 3.16Å
207	L	91.7	Very high	92	Very high	63 Å²	63	44.4 Å²	44.4	33%	0.33	23%	0.226	S	C	.	.			trans	-83.7	110.8	167.7	172.1	54.9	0	0	0	107.8	W74 T188 T192 S209	W74-L207 HydrophobicContact CH2-CD1 3.52Å; W74-L207 HydrophobicContact CZ2-CD1 4.31Å; W74-L207 HydrophobicContact CZ3-CD1 4.38Å; T188-L207 HydrophobicContact CG2-CD1 3.52Å; T192-L207 HydrophobicContact CG2-CD1 4.28Å; L207-S209 PolarHBondContact O-N 2.67Å
208	I	95.8	Very high	92.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.			trans	-92.8	88.6	178.3	-52.1	101.9	0	0	0	107	Q191 T192 L195 R196 L203 K206 Y508 L522 L526	Q191-I208 HydrophobicContact CG-CB 4.15Å; Q191-I208 HydrophobicContact CG-CG2 3.96Å; Q191-I208 VanDerWaalsContact CG-O 3.25Å; Q191-I208 WeakPolarHBondContact CG-O 3.32Å; Q191-I208 VanDerWaalsContact NE2-C 3.34Å; Q191-I208 PolarHBondContact NE2-O 2.98Å; T192-I208 HydrophobicContact CG2-CD1 4.24Å; T192-I208 PolarHBondContact OG1-N 2.98Å; T192-I208 PolarHBondContact OG1-O 3.45Å; L195-I208 HydrophobicContact CB-CD1 4.27Å; L195-I208 HydrophobicContact CD1-CG2 4.23Å; R196-I208 HydrophobicContact CG-CD1 4.37Å; L203-I208 HydrophobicContact CB-CD1 4.46Å; L203-I208 HydrophobicContact CD1-CD1 4.32Å; K206-I208 WeakPolarHBondContact O-CD1 3.16Å; I208-Y508 VanDerWaalsContact C-OH 3.25Å; I208-Y508 WeakPolarHBondContact CA-OH 3.22Å; I208-Y508 HydrophobicContact CG2-CE1 4.48Å; I208-Y508 WeakPolarHBondContact CG2-OH 3.21Å; I208-L522 HydrophobicContact CG1-CD1 4.5Å; I208-L522 HydrophobicContact CG1-CD2 4.2Å; I208-L522 HydrophobicContact CG2-CD1 4.2Å; I208-L522 HydrophobicContact CG2-CD2 4.39Å; I208-L526 HydrophobicContact CG2-CD1 3.78Å; I208-L526 HydrophobicContact CG2-CD2 4.01Å; I208-L526 HydrophobicContact CG2-CG 4.43Å
209	S	96.5	Very high	92.5	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	18%	0.182	C	C	.	.			trans	-81.1	144.5	-177.4	76.4	0	0	0	0	113.8	T188 Q191 L207 Q214 R506 Y508	T188-S209 WeakPolarHBondContact OG1-CA 3.49Å; Q191-S209 PolarHBondContact NE2-O 3.31Å; L207-S209 PolarHBondContact O-N 2.67Å; S209-Q214 PolarHBondContact OG-NE2 3Å; S209-Q214 PolarHBondContact OG-OE1 2.84Å; S209-R506 WeakPolarHBondContact OG-CD 3.44Å; S209-R506 WeakPolarHBondContact OG-CG 3.46Å; S209-R506 PolarHBondContact OG-NE 3.05Å; S209-Y508 PolarHBondContact N-OH 3.49Å; S209-Y508 WeakPolarHBondContact O-CE2 3.49Å; S209-Y508 PolarHBondContact O-OH 3.35Å
210	Y	97.7	Very high	92.8	Very high	8 Å²	8	36.1 Å²	36.1	3%	0.031	19%	0.185	C	C	.	.			trans	-110.2	147.4	165.5	175.6	-91	0	0	0	109	F187 T188 F215 M537	F187-Y210 VanDerWaalsContact CB-CB 3.47Å; F187-Y210 HydrophobicContact CB-CD1 3.46Å; F187-Y210 VanDerWaalsContact CB-CD1 3.46Å; F187-Y210 HydrophobicContact CB-CD2 4.23Å; F187-Y210 HydrophobicContact CB-CE1 4.3Å; F187-Y210 HydrophobicContact CB-CG 3.43Å; F187-Y210 VanDerWaalsContact CB-CG 3.43Å; F187-Y210 AromaticContact CD2-CD1 3.84Å; F187-Y210 HydrophobicContact CD2-CD1 3.84Å; F187-Y210 AromaticContact CD2-CE1 3.85Å; F187-Y210 HydrophobicContact CD2-CE1 3.85Å; F187-Y210 HydrophobicContact CD2-CG 4.49Å; F187-Y210 HydrophobicContact CE2-CE1 4.46Å; F187-Y210 AromaticContact CG-CD1 3.82Å; F187-Y210 HydrophobicContact CG-CD1 3.82Å; F187-Y210 HydrophobicContact CG-CE1 4.17Å; F187-Y210 HydrophobicContact CG-CG 4.01Å; T188-Y210 PolarHBondContact OG1-N 2.76Å; T188-Y210 PolarHBondContact OG1-O 2.85Å; Y210-F215 HydrophobicContact CD2-CB 4.01Å; Y210-F215 HydrophobicContact CD2-CD1 4.47Å; Y210-F215 HydrophobicContact CD2-CD2 4.22Å; Y210-F215 AromaticContact CD2-CG 3.99Å; Y210-F215 HydrophobicContact CD2-CG 3.99Å; Y210-F215 HydrophobicContact CE2-CB 3.55Å; Y210-F215 AromaticContact CE2-CD1 3.82Å; Y210-F215 HydrophobicContact CE2-CD1 3.82Å; Y210-F215 HydrophobicContact CE2-CD2 4.32Å; Y210-F215 AromaticContact CE2-CG 3.64Å; Y210-F215 HydrophobicContact CE2-CG 3.64Å; Y210-M537 HydrophobicContact CD2-CE 4.37Å; Y210-M537 HydrophobicContact CE1-CE 4.15Å; Y210-M537 HydrophobicContact CE2-CE 3.4Å; Y210-M537 WeakPolarHBondContact OH-CE 3.49Å
211	G	96.4	Very high	93.3	Very high	14 Å²	14	34.4 Å²	34.4	14%	0.144	17%	0.171	C	C	.	.			trans	-149.8	138.2	169.9	0	0	0	0	0	109.9	C213 Q214 F215	G211-C213 PolarHBondContact O-N 2.94Å; G211-Q214 PolarHBondContact O-N 3.47Å; G211-Q214 VanDerWaalsContact O-N 3.13Å; G211-F215 WeakPolarHBondContact O-CB 3.43Å; G211-F215 PolarHBondContact O-N 3.47Å
212	S	95.9	Very high	93.9	Very high	4 Å²	4	28 Å²	28	3%	0.028	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35	-174.7	64.2	0	0	0	0	113.4	D180 P216 R543 Y571	D180-S212 PolarHBondContact OD1-OG 2.7Å; S212-P216 WeakPolarHBondContact O-CD 3.16Å; S212-P216 WeakPolarHBondContact O-CG 3.15Å; S212-R543 PolarHBondContact OG-NH1 2.76Å; S212-Y571 WeakPolarHBondContact CB-OH 3.41Å
213	C	96.5	Very high	94.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-31.7	172.2	-162.5	0	0	0	0	113.4	G211 F215 P216 T217 H499 R543	G211-C213 PolarHBondContact O-N 2.94Å; C213-F215 VanDerWaalsContact C-N 3.29Å; C213-F215 PolarHBondContact O-N 3.21Å; C213-P216 VanDerWaalsContact O-CD 3.31Å; C213-P216 WeakPolarHBondContact O-CD 3.41Å; C213-P216 WeakPolarHBondContact O-CG 3.38Å; C213-T217 PolarHBondContact O-N 3.11Å; C213-T217 PolarHBondContact O-OG1 3Å; C213-H499 PolarHBondContact SG-CD2 2.68Å; C213-R543 HydrophobicContact CB-CG 4Å
214	Q	96.5	Very high	95	Very high	14 Å²	14	30.1 Å²	30.1	7%	0.065	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-42.6	178.2	-178.9	-167.7	-28	0	0	111.6	S209 G211 T217 L218 T502 I503	S209-Q214 PolarHBondContact OG-NE2 3Å; S209-Q214 PolarHBondContact OG-OE1 2.84Å; G211-Q214 PolarHBondContact O-N 3.47Å; G211-Q214 VanDerWaalsContact O-N 3.13Å; Q214-T217 PolarHBondContact O-N 3.16Å; Q214-L218 PolarHBondContact O-N 3.48Å; Q214-T502 VanDerWaalsContact CD-CG2 3.46Å; Q214-T502 HydrophobicContact CG-CG2 3.97Å; Q214-I503 HydrophobicContact CG-CG2 3.45Å; Q214-I503 VanDerWaalsContact CG-CG2 3.45Å; Q214-I503 WeakPolarHBondContact O-CG2 3.42Å
215	F	97.6	Very high	95.8	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.022	13%	0.131	C	C	.	.	H	α-helix	trans	-70.3	-46.3	-174.4	-160.6	-114.1	0	0	0	113.6	Y210 G211 C213 T217 L218 G219 L526 V527 Y530 M537	Y210-F215 HydrophobicContact CD2-CB 4.01Å; Y210-F215 HydrophobicContact CD2-CD1 4.47Å; Y210-F215 HydrophobicContact CD2-CD2 4.22Å; Y210-F215 AromaticContact CD2-CG 3.99Å; Y210-F215 HydrophobicContact CD2-CG 3.99Å; Y210-F215 HydrophobicContact CE2-CB 3.55Å; Y210-F215 AromaticContact CE2-CD1 3.82Å; Y210-F215 HydrophobicContact CE2-CD1 3.82Å; Y210-F215 HydrophobicContact CE2-CD2 4.32Å; Y210-F215 AromaticContact CE2-CG 3.64Å; Y210-F215 HydrophobicContact CE2-CG 3.64Å; G211-F215 WeakPolarHBondContact O-CB 3.43Å; G211-F215 PolarHBondContact O-N 3.47Å; C213-F215 VanDerWaalsContact C-N 3.29Å; C213-F215 PolarHBondContact O-N 3.21Å; F215-T217 VanDerWaalsContact C-N 3.31Å; F215-T217 PolarHBondContact O-N 3.2Å; F215-L218 HydrophobicContact CD2-CD2 4.42Å; F215-L218 HydrophobicContact CE2-CD2 4.39Å; F215-L218 WeakPolarHBondContact O-CB 3.3Å; F215-L218 PolarHBondContact O-N 3.48Å; F215-L218 VanDerWaalsContact O-N 3.16Å; F215-G219 PolarHBondContact O-N 2.58Å; F215-L526 HydrophobicContact CE2-CB 4.04Å; F215-V527 HydrophobicContact CE2-CG2 4.27Å; F215-V527 HydrophobicContact CZ-CG2 4.19Å; F215-Y530 HydrophobicContact CE1-CD1 4.45Å; F215-Y530 AromaticContact CE1-CD2 3.94Å; F215-Y530 HydrophobicContact CE1-CD2 3.94Å; F215-Y530 AromaticContact CE1-CG 3.83Å; F215-Y530 HydrophobicContact CE1-CG 3.83Å; F215-Y530 HydrophobicContact CE2-CD2 4.06Å; F215-Y530 HydrophobicContact CE2-CE2 4.34Å; F215-Y530 AromaticContact CZ-CD2 3.36Å; F215-Y530 HydrophobicContact CZ-CD2 3.36Å; F215-Y530 HydrophobicContact CZ-CE2 4.03Å; F215-Y530 AromaticContact CZ-CG 3.72Å; F215-Y530 HydrophobicContact CZ-CG 3.72Å; F215-M537 HydrophobicContact CD1-CB 3.86Å; F215-M537 WeakPolarHBondContact CD1-O 3.44Å; F215-M537 HydrophobicContact CE1-CB 3.96Å
216	P	97.9	Very high	96.4	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.013	11%	0.108	C	C	.	.	H	α-helix	trans	-66.1	-30.3	172.2	23.4	-33	0	0	0	113.4	S212 C213 L218 G219 F220 I490 S538 P540 R543	S212-P216 WeakPolarHBondContact O-CD 3.16Å; S212-P216 WeakPolarHBondContact O-CG 3.15Å; C213-P216 VanDerWaalsContact O-CD 3.31Å; C213-P216 WeakPolarHBondContact O-CD 3.41Å; C213-P216 WeakPolarHBondContact O-CG 3.38Å; P216-L218 VanDerWaalsContact C-N 3.33Å; P216-L218 PolarHBondContact O-N 2.8Å; P216-G219 WeakPolarHBondContact O-CA 3.22Å; P216-G219 PolarHBondContact O-N 3.42Å; P216-G219 VanDerWaalsContact O-N 3.11Å; P216-F220 WeakPolarHBondContact O-CD2 3.49Å; P216-F220 PolarHBondContact O-N 2.93Å; P216-F220 VanDerWaalsContact O-N 3.12Å; P216-I490 HydrophobicContact CB-CD1 3.98Å; P216-I490 HydrophobicContact CG-CD1 3.95Å; P216-S538 WeakPolarHBondContact CA-O 3.37Å; P216-P540 HydrophobicContact CB-CB 4.32Å; P216-R543 HydrophobicContact CG-CB 4.33Å
217	T	98.3	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-42.3	170.2	-57.1	0	0	0	0	111.7	C213 Q214 F215 G219 L481 M485 I500 I503	C213-T217 PolarHBondContact O-N 3.11Å; C213-T217 PolarHBondContact O-OG1 3Å; Q214-T217 PolarHBondContact O-N 3.16Å; F215-T217 VanDerWaalsContact C-N 3.31Å; F215-T217 PolarHBondContact O-N 3.2Å; T217-G219 VanDerWaalsContact C-N 3.33Å; T217-L481 HydrophobicContact CG2-CD1 4.15Å; T217-L481 HydrophobicContact CG2-CD2 3.92Å; T217-L481 HydrophobicContact CG2-CG 4.25Å; T217-M485 HydrophobicContact CG2-CE 4.32Å; T217-M485 HydrophobicContact CG2-SD 3.66Å; T217-M485 WeakPolarHBondContact OG1-CE 3.43Å; T217-I500 HydrophobicContact CG2-CG1 4.08Å; T217-I503 HydrophobicContact CG2-CD1 3.88Å
218	L	98.4	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-39.5	171.2	174.7	63.9	0	0	0	111.5	Q214 F215 P216 F220 V221 V222 I503 Y508 V509 V527	Q214-L218 PolarHBondContact O-N 3.48Å; F215-L218 HydrophobicContact CD2-CD2 4.42Å; F215-L218 HydrophobicContact CE2-CD2 4.39Å; F215-L218 WeakPolarHBondContact O-CB 3.3Å; F215-L218 PolarHBondContact O-N 3.48Å; F215-L218 VanDerWaalsContact O-N 3.16Å; P216-L218 VanDerWaalsContact C-N 3.33Å; P216-L218 PolarHBondContact O-N 2.8Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.16Å; L218-V221 WeakPolarHBondContact O-CB 3.47Å; L218-V221 PolarHBondContact O-N 3.31Å; L218-V222 HydrophobicContact CD1-CG2 4.09Å; L218-V222 HydrophobicContact CG-CG2 4.24Å; L218-V222 PolarHBondContact O-N 2.85Å; L218-I503 HydrophobicContact CB-CG2 4.19Å; L218-Y508 HydrophobicContact CD2-CD2 3.88Å; L218-Y508 HydrophobicContact CD2-CG 4.17Å; L218-V509 HydrophobicContact CD1-CG1 3.68Å; L218-V527 HydrophobicContact CD2-CG2 3.9Å; L218-V527 HydrophobicContact CG-CG2 3.86Å
219	G	98	Very high	96.8	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-51.9	-45.9	176.9	0	0	0	0	0	112.8	F215 P216 T217 V221 V222 E223	F215-G219 PolarHBondContact O-N 2.58Å; P216-G219 WeakPolarHBondContact O-CA 3.22Å; P216-G219 PolarHBondContact O-N 3.42Å; P216-G219 VanDerWaalsContact O-N 3.11Å; T217-G219 VanDerWaalsContact C-N 3.33Å; G219-V221 VanDerWaalsContact C-N 3.32Å; G219-V221 PolarHBondContact O-N 3.23Å; G219-V222 PolarHBondContact O-N 3.37Å; G219-E223 VanDerWaalsContact O-CB 3.27Å; G219-E223 WeakPolarHBondContact O-CB 3.5Å; G219-E223 PolarHBondContact O-N 2.91Å
220	F	98.3	Very high	96.7	Very high	18 Å²	18	30 Å²	30	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-40.3	175.9	-66.9	-49.5	0	0	0	113.6	P216 L218 R224 L476 L481 L484 M485 C488 I490 P540	P216-F220 WeakPolarHBondContact O-CD2 3.49Å; P216-F220 PolarHBondContact O-N 2.93Å; P216-F220 VanDerWaalsContact O-N 3.12Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.16Å; F220-R224 PolarHBondContact O-N 3.18Å; F220-L476 HydrophobicContact CB-CD1 4.05Å; F220-L476 WeakPolarHBondContact O-CD1 3.3Å; F220-L481 HydrophobicContact CB-CD1 3.74Å; F220-L481 HydrophobicContact CD2-CD1 3.99Å; F220-L481 HydrophobicContact CG-CD1 4.32Å; F220-L484 HydrophobicContact CB-CD1 4.18Å; F220-L484 HydrophobicContact CD1-CB 4.35Å; F220-L484 HydrophobicContact CD1-CD1 4.31Å; F220-L484 HydrophobicContact CD2-CB 4.24Å; F220-L484 HydrophobicContact CE1-CB 4.46Å; F220-L484 HydrophobicContact CE2-CB 4.34Å; F220-L484 HydrophobicContact CG-CB 4.25Å; F220-L484 HydrophobicContact CG-CD1 4.28Å; F220-L484 HydrophobicContact CZ-CB 4.46Å; F220-M485 HydrophobicContact CD2-CG 4.22Å; F220-M485 HydrophobicContact CE2-CG 4.04Å; F220-C488 HydrophobicContact CZ-CB 3.85Å; F220-C488 WeakPolarHBondContact CZ-SG 3.46Å; F220-I490 HydrophobicContact CE2-CD1 3.86Å; F220-I490 HydrophobicContact CE2-CG1 4.41Å; F220-P540 HydrophobicContact CE1-CG 4.15Å; F220-P540 HydrophobicContact CZ-CB 3.93Å; F220-P540 HydrophobicContact CZ-CG 3.79Å
221	V	98.2	Very high	96.6	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-46	179.1	177	0	0	0	0	110.6	L218 G219 R224 Y225 L476 L481 I503 V509 F517 P519	L218-V221 WeakPolarHBondContact O-CB 3.47Å; L218-V221 PolarHBondContact O-N 3.31Å; G219-V221 VanDerWaalsContact C-N 3.32Å; G219-V221 PolarHBondContact O-N 3.23Å; V221-R224 PolarHBondContact O-N 3.31Å; V221-Y225 WeakPolarHBondContact O-CB 3.15Å; V221-Y225 PolarHBondContact O-N 3.24Å; V221-L476 HydrophobicContact CG2-CD1 4.34Å; V221-L481 HydrophobicContact CG2-CD1 4.25Å; V221-L481 HydrophobicContact CG2-CD2 4.04Å; V221-I503 HydrophobicContact CG2-CD1 4.47Å; V221-V509 HydrophobicContact CB-CG1 4.19Å; V221-V509 HydrophobicContact CG1-CG1 3.8Å; V221-V509 HydrophobicContact CG2-CG1 4.31Å; V221-F517 HydrophobicContact CB-CB 4.43Å; V221-F517 HydrophobicContact CG1-CB 3.61Å; V221-F517 HydrophobicContact CG2-CB 3.89Å; V221-F517 HydrophobicContact CG2-CD2 4.29Å; V221-F517 HydrophobicContact CG2-CG 4.15Å; V221-P519 HydrophobicContact CG1-CB 4.26Å; V221-P519 HydrophobicContact CG1-CG 4.49Å
222	V	97.5	Very high	96.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-43.4	177.9	169.2	0	0	0	0	110.9	L218 G219 R224 Y225 K226 P519 L524 V527	L218-V222 HydrophobicContact CD1-CG2 4.09Å; L218-V222 HydrophobicContact CG-CG2 4.24Å; L218-V222 PolarHBondContact O-N 2.85Å; G219-V222 PolarHBondContact O-N 3.37Å; V222-R224 PolarHBondContact O-N 2.9Å; V222-Y225 WeakPolarHBondContact O-CB 3.26Å; V222-Y225 PolarHBondContact O-N 2.71Å; V222-K226 HydrophobicContact CG1-CD 4.2Å; V222-K226 HydrophobicContact CG1-CG 4.35Å; V222-K226 WeakPolarHBondContact O-CG 3.38Å; V222-K226 PolarHBondContact O-N 3.44Å; V222-P519 HydrophobicContact CG2-CB 3.89Å; V222-P519 HydrophobicContact CG2-CG 4.46Å; V222-L524 HydrophobicContact CB-CD2 4.47Å; V222-L524 HydrophobicContact CG1-CD2 3.84Å; V222-L524 HydrophobicContact CG2-CD2 4.13Å; V222-V527 HydrophobicContact CB-CB 4.23Å; V222-V527 HydrophobicContact CB-CG1 4.08Å; V222-V527 HydrophobicContact CB-CG2 4.17Å; V222-V527 HydrophobicContact CG1-CB 3.97Å; V222-V527 HydrophobicContact CG1-CG1 3.67Å; V222-V527 HydrophobicContact CG1-CG2 4.47Å; V222-V527 HydrophobicContact CG2-CB 4.11Å; V222-V527 HydrophobicContact CG2-CG2 3.81Å
223	E	97.2	Very high	96.4	Very high	70 Å²	70	44.9 Å²	44.9	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-46.3	178.1	-178.3	166.6	-176	0	0	111.7	G219 Y225 K226 Q227 K539	G219-E223 VanDerWaalsContact O-CB 3.27Å; G219-E223 WeakPolarHBondContact O-CB 3.5Å; G219-E223 PolarHBondContact O-N 2.91Å; E223-Y225 VanDerWaalsContact C-N 3.3Å; E223-Y225 PolarHBondContact O-N 3.09Å; E223-K226 PolarHBondContact O-N 2.63Å; E223-Q227 VanDerWaalsContact O-CG 3.29Å; E223-Q227 WeakPolarHBondContact O-CG 3.32Å; E223-Q227 PolarHBondContact O-N 3.34Å; E223-K539 VanDerWaalsContact CD-NZ 3.34Å; E223-K539 IonicContact OE1-NZ 2.73Å; E223-K539 PolarHBondContact OE1-NZ 3.45Å; E223-K539 IonicContact OE2-NZ 3.56Å; E223-K539 PolarHBondContact OE2-NZ 3.17Å
224	R	97.9	Very high	96.3	Very high	45 Å²	45	49.9 Å²	49.9	17%	0.17	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-38.9	174.9	178.5	58.8	64.3	73.4	6.4	112	F220 V221 V222 Q227 N228 P474 L476	F220-R224 PolarHBondContact O-N 3.18Å; V221-R224 PolarHBondContact O-N 3.31Å; V222-R224 PolarHBondContact O-N 2.9Å; R224-Q227 PolarHBondContact O-N 2.99Å; R224-N228 WeakPolarHBondContact O-CB 3.49Å; R224-N228 PolarHBondContact O-N 3.19Å; R224-P474 VanDerWaalsContact CD-O 3.28Å; R224-P474 WeakPolarHBondContact CD-O 3.43Å; R224-P474 WeakPolarHBondContact CG-O 3.4Å; R224-P474 PolarHBondContact NH1-O 3.21Å; R224-L476 HydrophobicContact CB-CD1 4.14Å; R224-L476 HydrophobicContact CB-CD2 4.42Å; R224-L476 HydrophobicContact CB-CG 3.8Å; R224-L476 HydrophobicContact CG-CD2 4.34Å; R224-L476 HydrophobicContact CG-CG 3.94Å; R224-L476 VanDerWaalsContact CZ-CD2 3.47Å
225	Y	96.4	Very high	96.2	Very high	53 Å²	53	52 Å²	52	21%	0.208	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-47.2	176.8	173.6	-95.6	0	0	0	111.3	V221 V222 E223 Q227 N228 Q229 L475 L518 P519 L524	V221-Y225 WeakPolarHBondContact O-CB 3.15Å; V221-Y225 PolarHBondContact O-N 3.24Å; V222-Y225 WeakPolarHBondContact O-CB 3.26Å; V222-Y225 PolarHBondContact O-N 2.71Å; E223-Y225 VanDerWaalsContact C-N 3.3Å; E223-Y225 PolarHBondContact O-N 3.09Å; Y225-Q227 VanDerWaalsContact C-N 3.34Å; Y225-Q227 PolarHBondContact O-N 2.81Å; Y225-N228 WeakPolarHBondContact O-CB 3.39Å; Y225-N228 PolarHBondContact O-N 2.89Å; Y225-N228 VanDerWaalsContact O-N 3.1Å; Y225-Q229 HydrophobicContact CD1-CG 4.19Å; Y225-Q229 HydrophobicContact CD2-CG 4.37Å; Y225-Q229 HydrophobicContact CE1-CG 3.73Å; Y225-Q229 HydrophobicContact CE2-CG 3.91Å; Y225-Q229 WeakPolarHBondContact O-CG 3.14Å; Y225-Q229 PolarHBondContact O-N 3.27Å; Y225-L475 HydrophobicContact CD2-CD2 4.01Å; Y225-L518 HydrophobicContact CD2-CD1 3.95Å; Y225-L518 HydrophobicContact CE2-CD1 3.85Å; Y225-P519 HydrophobicContact CD1-CG 3.88Å; Y225-P519 HydrophobicContact CD2-CG 3.95Å; Y225-P519 HydrophobicContact CG-CG 3.52Å; Y225-L524 HydrophobicContact CD1-CD1 4.43Å; Y225-L524 HydrophobicContact CD1-CD2 3.7Å; Y225-L524 HydrophobicContact CE1-CD1 3.95Å; Y225-L524 HydrophobicContact CE1-CD2 3.96Å
226	K	95	Very high	96	Very high	69 Å²	69	52.6 Å²	52.6	30%	0.3	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-43	175.4	-71.5	-178.6	180	-179.3	0	111.6	V222 E223 N228 Q229 A230 D528 E531	V222-K226 HydrophobicContact CG1-CD 4.2Å; V222-K226 HydrophobicContact CG1-CG 4.35Å; V222-K226 WeakPolarHBondContact O-CG 3.38Å; V222-K226 PolarHBondContact O-N 3.44Å; E223-K226 PolarHBondContact O-N 2.63Å; K226-N228 VanDerWaalsContact C-N 3.31Å; K226-N228 PolarHBondContact O-N 3.35Å; K226-Q229 PolarHBondContact O-N 2.95Å; K226-A230 VanDerWaalsContact O-CB 3.27Å; K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 2.88Å; K226-D528 WeakPolarHBondContact CE-OD1 3.18Å; K226-D528 IonicContact NZ-OD1 3.56Å; K226-D528 PolarHBondContact NZ-OD1 3.12Å; K226-D528 IonicContact NZ-OD2 3.08Å; K226-E531 IonicContact NZ-OE2 3.35Å; K226-E531 PolarHBondContact NZ-OE2 2.78Å
227	Q	96.6	Very high	95.8	Very high	87 Å²	87	53.7 Å²	53.7	41%	0.407	27%	0.265	S	S	.	.	H	α-helix	trans	-59.6	-40.3	173.8	-72.3	169.6	-0.6	0	0	112.3	E223 R224 Y225 F231 P473	E223-Q227 VanDerWaalsContact O-CG 3.29Å; E223-Q227 WeakPolarHBondContact O-CG 3.32Å; E223-Q227 PolarHBondContact O-N 3.34Å; R224-Q227 PolarHBondContact O-N 2.99Å; Y225-Q227 VanDerWaalsContact C-N 3.34Å; Y225-Q227 PolarHBondContact O-N 2.81Å; Q227-F231 WeakPolarHBondContact O-CB 3.5Å; Q227-F231 PolarHBondContact O-N 2.93Å; Q227-P473 HydrophobicContact CB-CG 4.17Å
228	N	94.7	Very high	95.4	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-66.6	-42.3	177.1	177.8	-85	0	0	0	112	R224 Y225 K226 P473 L475	R224-N228 WeakPolarHBondContact O-CB 3.49Å; R224-N228 PolarHBondContact O-N 3.19Å; Y225-N228 WeakPolarHBondContact O-CB 3.39Å; Y225-N228 PolarHBondContact O-N 2.89Å; Y225-N228 VanDerWaalsContact O-N 3.1Å; K226-N228 VanDerWaalsContact C-N 3.31Å; K226-N228 PolarHBondContact O-N 3.35Å; N228-P473 PolarHBondContact ND2-O 3.32Å; N228-L475 HydrophobicContact CB-CD2 4.37Å
229	Q	91.6	Very high	94.9	Very high	116 Å²	116	57.3 Å²	57.3	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-73.1	-38.7	-179.5	-66.5	-58.6	-67.9	0	0	113.1	Y225 K226 F231	Y225-Q229 HydrophobicContact CD1-CG 4.19Å; Y225-Q229 HydrophobicContact CD2-CG 4.37Å; Y225-Q229 HydrophobicContact CE1-CG 3.73Å; Y225-Q229 HydrophobicContact CE2-CG 3.91Å; Y225-Q229 WeakPolarHBondContact O-CG 3.14Å; Y225-Q229 PolarHBondContact O-N 3.27Å; K226-Q229 PolarHBondContact O-N 2.95Å; Q229-F231 PolarHBondContact O-N 2.95Å
230	A	94.4	Very high	94.3	Very high	80 Å²	80	59.5 Å²	59.5	66%	0.661	30%	0.295	S	S	*	.	S	Bend	trans	-78.6	-5.7	-179.9	0	0	0	0	0	113.5	K226 V232	K226-A230 VanDerWaalsContact O-CB 3.27Å; K226-A230 WeakPolarHBondContact O-CB 3.27Å; K226-A230 PolarHBondContact O-N 2.88Å; A230-V232 PolarHBondContact O-N 3.45Å
231	F	94.8	Very high	93.2	Very high	71 Å²	71	59.8 Å²	59.8	31%	0.311	30%	0.3	S	S	.	.			trans	-70	115.8	-177	-172.8	-91	0	0	0	111.5	Q227 Q229 R233 T470 S471 P472	Q227-F231 WeakPolarHBondContact O-CB 3.5Å; Q227-F231 PolarHBondContact O-N 2.93Å; Q229-F231 PolarHBondContact O-N 2.95Å; F231-R233 HydrophobicContact CD1-CG 4.06Å; F231-R233 HydrophobicContact CE1-CG 4.08Å; F231-T470 WeakPolarHBondContact CE1-OG1 3.29Å; F231-S471 WeakPolarHBondContact CZ-O 3.49Å; F231-P472 HydrophobicContact CB-CB 3.79Å; F231-P472 HydrophobicContact CD1-CB 3.77Å; F231-P472 HydrophobicContact CG-CB 3.81Å
232	V	93.9	Very high	91.7	Very high	114 Å²	114	62.3 Å²	62.3	69%	0.691	31%	0.313	S	S	*	.			trans	-84.2	122.4	170.9	-176.5	0	0	0	0	108.5	A230	A230-V232 PolarHBondContact O-N 3.45Å
233	R	95.2	Very high	89.9	Confident	154 Å²	154	67 Å²	67	58%	0.581	34%	0.338	S	S	*	.			trans	-77.5	138.7	177	-64.9	-173.9	178.5	-145	1	110.1	F231 V469 T470	F231-R233 HydrophobicContact CD1-CG 4.06Å; F231-R233 HydrophobicContact CE1-CG 4.08Å; R233-V469 HydrophobicContact CB-CG1 3.72Å; R233-V469 HydrophobicContact CG-CG1 4.38Å; R233-T470 WeakPolarHBondContact CG-O 3.24Å
234	E	93.2	Very high	88	Confident	107 Å²	107	64.7 Å²	64.7	50%	0.5	33%	0.333	S	S	.	.			trans	-121.7	128	-179.5	-66.3	175.9	-88.7	0	0	108.9	F248 V469 T470	E234-F248 HydrophobicContact CB-CD1 4.28Å; E234-F248 HydrophobicContact CB-CE1 4.33Å; E234-V469 WeakPolarHBondContact O-CA 3.21Å; E234-T470 HydrophobicContact CB-CG2 4.32Å; E234-T470 PolarHBondContact N-OG1 3.47Å; E234-T470 PolarHBondContact O-N 2.89Å; E234-T470 PolarHBondContact O-OG1 2.95Å
235	P	95.3	Very high	86.6	Confident	60 Å²	60	65.5 Å²	65.5	39%	0.39	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.3	170.1	30.2	-33.4	0	0	0	109.6	W237 F248 G468	P235-W237 HydrophobicContact CB-CH2 3.83Å; P235-W237 HydrophobicContact CB-CZ2 4.1Å; P235-W237 HydrophobicContact CB-CZ3 4.42Å; P235-W237 HydrophobicContact CG-CH2 3.87Å; P235-W237 HydrophobicContact CG-CZ3 4.47Å; P235-F248 WeakPolarHBondContact O-CD1 3.22Å; P235-G468 CarbonylContact C-O 3.59Å; P235-G468 WeakPolarHBondContact CA-O 3.22Å
236	F	93.3	Very high	86	Confident	17 Å²	17	70.5 Å²	70.5	8%	0.075	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.8	171.5	67.4	-96.3	0	0	0	109.7	R246 I247 F248 G468 V469 T470	F236-R246 HydrophobicContact CD2-CB 4Å; F236-R246 HydrophobicContact CD2-CG 3.72Å; F236-R246 HydrophobicContact CE2-CG 3.87Å; F236-R246 HydrophobicContact CG-CB 4.46Å; F236-R246 HydrophobicContact CG-CG 4.47Å; F236-I247 CarbonylContact C-O 3.53Å; F236-I247 WeakPolarHBondContact CA-O 3.36Å; F236-F248 HydrophobicContact CB-CD1 3.8Å; F236-F248 HydrophobicContact CB-CE1 3.77Å; F236-F248 HydrophobicContact CB-CG 4.29Å; F236-F248 HydrophobicContact CB-CZ 4.22Å; F236-F248 HydrophobicContact CD1-CE1 4.48Å; F236-F248 HydrophobicContact CG-CE1 4.5Å; F236-G468 PolarHBondContact N-O 2.91Å; F236-G468 PolarHBondContact O-N 2.91Å; F236-G468 VanDerWaalsContact O-O 3.05Å; F236-V469 VanDerWaalsContact CE1-C 3.47Å; F236-T470 HydrophobicContact CD1-CG2 4.03Å; F236-T470 HydrophobicContact CE1-CG2 4.41Å
237	W	93.1	Very high	85.4	Confident	24 Å²	24	69.3 Å²	69.3	9%	0.091	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.5	175.5	-59.7	-91.5	0	0	0	109.3	P235 R246 I247 K250 C253 M465 S466	P235-W237 HydrophobicContact CB-CH2 3.83Å; P235-W237 HydrophobicContact CB-CZ2 4.1Å; P235-W237 HydrophobicContact CB-CZ3 4.42Å; P235-W237 HydrophobicContact CG-CH2 3.87Å; P235-W237 HydrophobicContact CG-CZ3 4.47Å; W237-R246 CarbonylContact O-C 3.55Å; W237-R246 WeakPolarHBondContact O-CA 3.48Å; W237-I247 PolarHBondContact N-O 3.05Å; W237-I247 PolarHBondContact O-N 3.39Å; W237-K250 HydrophobicContact CD2-CB 3.93Å; W237-K250 HydrophobicContact CD2-CG 4.05Å; W237-K250 HydrophobicContact CE3-CB 3.97Å; W237-K250 HydrophobicContact CG-CG 4.5Å; W237-K250 HydrophobicContact CH2-CB 3.7Å; W237-K250 HydrophobicContact CH2-CG 4.42Å; W237-K250 HydrophobicContact CZ2-CB 3.64Å; W237-K250 HydrophobicContact CZ2-CD 3.84Å; W237-K250 HydrophobicContact CZ2-CG 3.85Å; W237-K250 HydrophobicContact CZ3-CB 3.86Å; W237-C253 HydrophobicContact CB-CB 3.71Å; W237-C253 VanDerWaalsContact CB-SG 3.53Å; W237-C253 HydrophobicContact CG-CB 4.45Å; W237-M465 HydrophobicContact CB-CG 4.13Å; W237-M465 HydrophobicContact CB-SD 4.08Å; W237-M465 HydrophobicContact CG-CG 4.48Å; W237-M465 HydrophobicContact CG-SD 4.1Å; W237-S466 CarbonylContact C-O 3.59Å; W237-S466 WeakPolarHBondContact CA-O 3.49Å
238	K	90.9	Very high	85.1	Confident	65 Å²	65	70.4 Å²	70.4	28%	0.283	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.7	172.4	64.7	177.2	-173.3	165.6	0	109.3	V240 G245 S466	K238-V240 HydrophobicContact CD-CG2 4.25Å; K238-V240 HydrophobicContact CG-CG2 4Å; K238-G245 WeakPolarHBondContact CB-O 3.34Å; K238-S466 WeakPolarHBondContact CE-OG 3.4Å; K238-S466 WeakPolarHBondContact CG-OG 3.35Å; K238-S466 PolarHBondContact N-O 2.91Å; K238-S466 PolarHBondContact O-N 3.4Å; K238-S466 PolarHBondContact O-OG 3.18Å
239	L	88.3	Confident	84.8	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.058	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.9	168.3	-61.1	-173.6	0	0	0	109.3	G244 F256 L257 F424 V463 M465	L239-G244 WeakPolarHBondContact O-CA 3.31Å; L239-F256 HydrophobicContact CD1-CB 3.69Å; L239-L257 HydrophobicContact CD2-CB 3.81Å; L239-L257 HydrophobicContact CD2-CD1 3.85Å; L239-L257 HydrophobicContact CD2-CG 4.43Å; L239-F424 HydrophobicContact CB-CE1 3.67Å; L239-F424 HydrophobicContact CB-CZ 3.9Å; L239-F424 HydrophobicContact CD1-CZ 4.19Å; L239-V463 HydrophobicContact CB-CG1 4.19Å; L239-M465 HydrophobicContact CD2-CB 4.24Å
240	V	84.1	Confident	84.9	Confident	50 Å²	50	70.9 Å²	70.9	30%	0.303	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	99.2	-178.7	-174.7	0	0	0	0	107.8	K238 R464 S466	K238-V240 HydrophobicContact CD-CG2 4.25Å; K238-V240 HydrophobicContact CG-CG2 4Å; V240-R464 PolarHBondContact N-O 3.46Å; V240-R464 PolarHBondContact O-N 2.95Å; V240-R464 VanDerWaalsContact O-N 3.12Å; V240-S466 VanDerWaalsContact CG2-OG 3.23Å; V240-S466 WeakPolarHBondContact CG2-OG 3.49Å
241	A	75.7	Confident	84.7	Confident	23 Å²	23	72.7 Å²	72.7	19%	0.19	37%	0.374	C	S	.	.	S	Bend	trans	-104.6	-50.7	160	0	0	0	0	0	109.4	F424 V461 V463	A241-F424 HydrophobicContact CB-CB 4.41Å; A241-F424 HydrophobicContact CB-CD1 3.69Å; A241-F424 HydrophobicContact CB-CD2 4.23Å; A241-F424 HydrophobicContact CB-CE1 3.93Å; A241-F424 HydrophobicContact CB-CE2 4.46Å; A241-F424 HydrophobicContact CB-CG 3.84Å; A241-F424 HydrophobicContact CB-CZ 4.31Å; A241-V461 HydrophobicContact CB-CG2 3.89Å; A241-V463 HydrophobicContact CB-CG2 4Å
242	I	66.2	Low	84.5	Confident	56 Å²	56	72.1 Å²	72.1	29%	0.287	38%	0.377	S	S	.	.	S	Bend	trans	-140.2	-38.5	173	-45.8	176.7	0	0	0	113	I417 A426	I242-I417 HydrophobicContact CD1-CD1 3.6Å; I242-I417 HydrophobicContact CD1-CG1 4.43Å; I242-I417 HydrophobicContact CG1-CD1 4.07Å; I242-A426 HydrophobicContact CB-CB 3.98Å; I242-A426 HydrophobicContact CD1-CB 4.29Å; I242-A426 HydrophobicContact CG2-CB 3.23Å
243	D	59.6	Low	84.4	Confident	99 Å²	99	66.7 Å²	66.7	53%	0.529	34%	0.344	S	S	.	.	S	Bend	trans	-172.1	135.1	156.1	-155	1.5	0	0	0	107.7
244	G	58.2	Low	84.2	Confident	21 Å²	21	62.8 Å²	62.8	22%	0.216	33%	0.332	C	S	.	.			trans	-130.4	159.3	-172.5	0	0	0	0	0	113	L239	L239-G244 WeakPolarHBondContact O-CA 3.31Å
245	G	68.9	Low	84.1	Confident	62 Å²	62	62.8 Å²	62.8	64%	0.639	34%	0.335	S	S	*	.			trans	-62.3	159.2	174.1	0	0	0	0	0	112.6	K238	K238-G245 WeakPolarHBondContact CB-O 3.34Å
246	R	82.9	Confident	83.9	Confident	159 Å²	159	62.8 Å²	62.8	60%	0.6	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	136.7	176.2	-60.7	179.7	-173.3	-176.6	2.3	110.1	F236 W237 F248	F236-R246 HydrophobicContact CD2-CB 4Å; F236-R246 HydrophobicContact CD2-CG 3.72Å; F236-R246 HydrophobicContact CE2-CG 3.87Å; F236-R246 HydrophobicContact CG-CB 4.46Å; F236-R246 HydrophobicContact CG-CG 4.47Å; W237-R246 CarbonylContact O-C 3.55Å; W237-R246 WeakPolarHBondContact O-CA 3.48Å; R246-F248 HydrophobicContact CB-CE2 4.5Å
247	I	83.4	Confident	83.8	Confident	43 Å²	43	63.2 Å²	63.2	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.8	176.1	-57	177.6	0	0	0	107.4	F236 W237 D249 V252 C253 F256	F236-I247 CarbonylContact C-O 3.53Å; F236-I247 WeakPolarHBondContact CA-O 3.36Å; W237-I247 PolarHBondContact N-O 3.05Å; W237-I247 PolarHBondContact O-N 3.39Å; I247-D249 HydrophobicContact CG2-CB 4.5Å; I247-D249 WeakPolarHBondContact CG2-O 3.32Å; I247-V252 HydrophobicContact CG2-CB 4.23Å; I247-V252 HydrophobicContact CG2-CG1 4.05Å; I247-C253 HydrophobicContact CB-CB 4.22Å; I247-C253 HydrophobicContact CD1-CB 4.22Å; I247-C253 HydrophobicContact CG2-CB 4.23Å; I247-F256 HydrophobicContact CD1-CD2 3.71Å; I247-F256 HydrophobicContact CD1-CE2 4.15Å
248	F	88.9	Confident	83.7	Confident	110 Å²	110	65 Å²	65	48%	0.482	35%	0.352	S	S	.	.	S	Bend	trans	-98.3	8.5	-176.6	-70.3	-93	0	0	0	113.4	E234 P235 F236 R246 T470	E234-F248 HydrophobicContact CB-CD1 4.28Å; E234-F248 HydrophobicContact CB-CE1 4.33Å; P235-F248 WeakPolarHBondContact O-CD1 3.22Å; F236-F248 HydrophobicContact CB-CD1 3.8Å; F236-F248 HydrophobicContact CB-CE1 3.77Å; F236-F248 HydrophobicContact CB-CG 4.29Å; F236-F248 HydrophobicContact CB-CZ 4.22Å; F236-F248 HydrophobicContact CD1-CE1 4.48Å; F236-F248 HydrophobicContact CG-CE1 4.5Å; R246-F248 HydrophobicContact CB-CE2 4.5Å; F248-T470 HydrophobicContact CE1-CG2 3.83Å; F248-T470 HydrophobicContact CZ-CG2 4.33Å
249	D	89.8	Confident	83.7	Confident	77 Å²	77	65.4 Å²	65.4	41%	0.412	36%	0.357	S	S	.	.			trans	-122.3	123.7	175.1	-174.7	-56.9	0	0	0	108.8	I247 D251 V252 C253	I247-D249 HydrophobicContact CG2-CB 4.5Å; I247-D249 WeakPolarHBondContact CG2-O 3.32Å; D249-D251 PolarHBondContact OD1-N 3.43Å; D249-V252 HydrophobicContact CB-CB 3.98Å; D249-V252 HydrophobicContact CB-CG2 3.89Å; D249-V252 WeakPolarHBondContact OD1-CG2 3.16Å; D249-V252 PolarHBondContact OD1-N 3.23Å; D249-C253 PolarHBondContact O-N 3.19Å; D249-C253 VanDerWaalsContact O-N 3.12Å
250	K	92.2	Very high	83.8	Confident	86 Å²	86	65 Å²	65	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-69.1	-45.3	-175.1	-168.5	177.1	-178.7	-107.9	0	111.4	W237 V252 C253 E254	W237-K250 HydrophobicContact CD2-CB 3.93Å; W237-K250 HydrophobicContact CD2-CG 4.05Å; W237-K250 HydrophobicContact CE3-CB 3.97Å; W237-K250 HydrophobicContact CG-CG 4.5Å; W237-K250 HydrophobicContact CH2-CB 3.7Å; W237-K250 HydrophobicContact CH2-CG 4.42Å; W237-K250 HydrophobicContact CZ2-CB 3.64Å; W237-K250 HydrophobicContact CZ2-CD 3.84Å; W237-K250 HydrophobicContact CZ2-CG 3.85Å; W237-K250 HydrophobicContact CZ3-CB 3.86Å; K250-V252 VanDerWaalsContact C-N 3.3Å; K250-V252 PolarHBondContact O-N 3.1Å; K250-C253 CarbonylContact O-C 3.48Å; K250-C253 PolarHBondContact O-N 3.33Å; K250-C253 VanDerWaalsContact O-N 3.09Å; K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 HydrophobicContact CG-CG 4.4Å; K250-E254 IonicContact NZ-OE1 3.11Å; K250-E254 PolarHBondContact NZ-OE1 3.01Å; K250-E254 WeakPolarHBondContact O-CG 3.07Å; K250-E254 PolarHBondContact O-N 3.41Å
251	D	91.6	Very high	84	Confident	118 Å²	118	67.4 Å²	67.4	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-38.3	-174.6	-60.8	-20.2	0	0	0	109.8	D249 E254 L255	D249-D251 PolarHBondContact OD1-N 3.43Å; D251-E254 PolarHBondContact O-N 3.35Å; D251-L255 WeakPolarHBondContact O-CB 3.44Å; D251-L255 PolarHBondContact O-N 3.28Å
252	V	90.8	Very high	84.6	Confident	59 Å²	59	72.4 Å²	72.4	36%	0.358	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-43.9	171.7	176.2	0	0	0	0	111.2	I247 D249 K250 E254 L255 F256	I247-V252 HydrophobicContact CG2-CB 4.23Å; I247-V252 HydrophobicContact CG2-CG1 4.05Å; D249-V252 HydrophobicContact CB-CB 3.98Å; D249-V252 HydrophobicContact CB-CG2 3.89Å; D249-V252 WeakPolarHBondContact OD1-CG2 3.16Å; D249-V252 PolarHBondContact OD1-N 3.23Å; K250-V252 VanDerWaalsContact C-N 3.3Å; K250-V252 PolarHBondContact O-N 3.1Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 2.65Å; V252-L255 WeakPolarHBondContact O-CB 3.33Å; V252-L255 PolarHBondContact O-N 3.13Å; V252-F256 HydrophobicContact CG1-CD2 3.88Å; V252-F256 HydrophobicContact CG1-CE2 3.55Å; V252-F256 WeakPolarHBondContact O-CD2 3.4Å; V252-F256 PolarHBondContact O-N 3Å; V252-F256 VanDerWaalsContact O-N 3.11Å
253	C	90.7	Very high	85.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-35.5	177.9	-164.9	0	0	0	0	112.4	W237 I247 D249 K250 F256 L257 M465	W237-C253 HydrophobicContact CB-CB 3.71Å; W237-C253 VanDerWaalsContact CB-SG 3.53Å; W237-C253 HydrophobicContact CG-CB 4.45Å; I247-C253 HydrophobicContact CB-CB 4.22Å; I247-C253 HydrophobicContact CD1-CB 4.22Å; I247-C253 HydrophobicContact CG2-CB 4.23Å; D249-C253 PolarHBondContact O-N 3.19Å; D249-C253 VanDerWaalsContact O-N 3.12Å; K250-C253 CarbonylContact O-C 3.48Å; K250-C253 PolarHBondContact O-N 3.33Å; K250-C253 VanDerWaalsContact O-N 3.09Å; C253-F256 PolarHBondContact O-N 3.44Å; C253-L257 WeakPolarHBondContact O-CB 3.34Å; C253-L257 PolarHBondContact O-N 3.33Å; C253-M465 HydrophobicContact CB-SD 3.99Å
254	E	92.2	Very high	86.5	Confident	72 Å²	72	76.8 Å²	76.8	34%	0.336	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-38.2	174.4	-75	-179.4	177.6	0	0	111.7	K250 D251 V252 L257 A258 M465	K250-E254 WeakPolarHBondContact CE-OE1 3.22Å; K250-E254 HydrophobicContact CG-CG 4.4Å; K250-E254 IonicContact NZ-OE1 3.11Å; K250-E254 PolarHBondContact NZ-OE1 3.01Å; K250-E254 WeakPolarHBondContact O-CG 3.07Å; K250-E254 PolarHBondContact O-N 3.41Å; D251-E254 PolarHBondContact O-N 3.35Å; V252-E254 VanDerWaalsContact C-N 3.34Å; V252-E254 PolarHBondContact O-N 2.65Å; E254-L257 WeakPolarHBondContact O-CB 3.25Å; E254-L257 PolarHBondContact O-N 3.26Å; E254-A258 PolarHBondContact O-N 3.46Å; E254-M465 HydrophobicContact CG-CE 3.78Å; E254-M465 HydrophobicContact CG-SD 3.98Å
255	L	90.8	Very high	87.6	Confident	106 Å²	106	76.6 Å²	76.6	56%	0.555	40%	0.403	S	S	*	.	H	α-helix	trans	-58.5	-49.4	172	177.4	65.6	0	0	0	111.1	D251 V252 L257 A258 L259	D251-L255 WeakPolarHBondContact O-CB 3.44Å; D251-L255 PolarHBondContact O-N 3.28Å; V252-L255 WeakPolarHBondContact O-CB 3.33Å; V252-L255 PolarHBondContact O-N 3.13Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 3.5Å; L255-A258 PolarHBondContact O-N 2.94Å; L255-L259 WeakPolarHBondContact O-CG 3.27Å; L255-L259 PolarHBondContact O-N 3.17Å; L255-L259 VanDerWaalsContact O-N 3.09Å
256	F	90.5	Very high	88.7	Confident	61 Å²	61	75.3 Å²	75.3	27%	0.268	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-36	176.3	-73	-66.5	0	0	0	112.6	L239 I247 V252 C253 L259 C260 E422	L239-F256 HydrophobicContact CD1-CB 3.69Å; I247-F256 HydrophobicContact CD1-CD2 3.71Å; I247-F256 HydrophobicContact CD1-CE2 4.15Å; V252-F256 HydrophobicContact CG1-CD2 3.88Å; V252-F256 HydrophobicContact CG1-CE2 3.55Å; V252-F256 WeakPolarHBondContact O-CD2 3.4Å; V252-F256 PolarHBondContact O-N 3Å; V252-F256 VanDerWaalsContact O-N 3.11Å; C253-F256 PolarHBondContact O-N 3.44Å; F256-L259 HydrophobicContact CD1-CD1 4.29Å; F256-L259 PolarHBondContact O-N 3.41Å; F256-C260 PolarHBondContact O-N 3.26Å; F256-C260 PolarHBondContact O-SG 3.07Å; F256-C260 VanDerWaalsContact O-SG 3.41Å; F256-E422 HydrophobicContact CD1-CG 4.18Å; F256-E422 WeakPolarHBondContact CD1-OE1 3.34Å; F256-E422 VanDerWaalsContact CE1-OE1 3.26Å; F256-E422 WeakPolarHBondContact CE1-OE1 3.41Å
257	L	91.3	Very high	89.1	Confident	26 Å²	26	67.8 Å²	67.8	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-47.3	174.2	-178.1	68.4	0	0	0	111	L239 C253 E254 L255 L259 C260 Q261 V463 M465	L239-L257 HydrophobicContact CD2-CB 3.81Å; L239-L257 HydrophobicContact CD2-CD1 3.85Å; L239-L257 HydrophobicContact CD2-CG 4.43Å; C253-L257 WeakPolarHBondContact O-CB 3.34Å; C253-L257 PolarHBondContact O-N 3.33Å; E254-L257 WeakPolarHBondContact O-CB 3.25Å; E254-L257 PolarHBondContact O-N 3.26Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 3.5Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 3.29Å; L257-C260 PolarHBondContact O-N 2.63Å; L257-Q261 HydrophobicContact CD1-CG 4.12Å; L257-Q261 HydrophobicContact CG-CG 4.29Å; L257-Q261 WeakPolarHBondContact O-CB 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.34Å; L257-Q261 PolarHBondContact O-N 3.15Å; L257-V463 HydrophobicContact CD1-CG1 4.22Å; L257-V463 WeakPolarHBondContact CD1-O 3.4Å; L257-M465 HydrophobicContact CD1-CB 4.39Å; L257-M465 HydrophobicContact CD2-CB 3.94Å
258	A	91.3	Very high	89.7	Confident	61 Å²	61	70.4 Å²	70.4	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-41.9	179.4	0	0	0	0	0	111.5	E254 L255 Q261 E262	E254-A258 PolarHBondContact O-N 3.46Å; L255-A258 PolarHBondContact O-N 2.94Å; A258-Q261 PolarHBondContact O-N 3.05Å; A258-E262 PolarHBondContact O-N 3.26Å
259	L	89.9	Confident	90	Very high	74 Å²	74	65.1 Å²	65.1	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-46.2	173.9	-68.3	171.9	0	0	0	111.7	L255 F256 L257 Q261 E262 N420	L255-L259 WeakPolarHBondContact O-CG 3.27Å; L255-L259 PolarHBondContact O-N 3.17Å; L255-L259 VanDerWaalsContact O-N 3.09Å; F256-L259 HydrophobicContact CD1-CD1 4.29Å; F256-L259 PolarHBondContact O-N 3.41Å; L257-L259 VanDerWaalsContact C-N 3.31Å; L257-L259 PolarHBondContact O-N 3.29Å; L259-Q261 VanDerWaalsContact C-N 3.3Å; L259-Q261 PolarHBondContact O-N 3.33Å; L259-E262 PolarHBondContact O-N 2.87Å; L259-N420 WeakPolarHBondContact O-CB 3.38Å; L259-N420 PolarHBondContact O-ND2 3.47Å
260	C	90.1	Very high	90.2	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-69.2	-24.5	178.7	-70.1	0	0	0	0	114.2	F256 L257 V419 V463	F256-C260 PolarHBondContact O-N 3.26Å; F256-C260 PolarHBondContact O-SG 3.07Å; F256-C260 VanDerWaalsContact O-SG 3.41Å; L257-C260 PolarHBondContact O-N 2.63Å; C260-V419 HydrophobicContact CB-CG1 4.11Å; C260-V463 HydrophobicContact CB-CB 4.09Å; C260-V463 HydrophobicContact CB-CG1 3.97Å; C260-V463 HydrophobicContact CB-CG2 4.06Å
261	Q	89.7	Confident	90.4	Very high	102 Å²	102	66.5 Å²	66.5	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-91.4	-4.1	-179.4	-72.2	-176.9	-21	0	0	113.6	L257 A258 L259 Q263 V463	L257-Q261 HydrophobicContact CD1-CG 4.12Å; L257-Q261 HydrophobicContact CG-CG 4.29Å; L257-Q261 WeakPolarHBondContact O-CB 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.34Å; L257-Q261 PolarHBondContact O-N 3.15Å; A258-Q261 PolarHBondContact O-N 3.05Å; L259-Q261 VanDerWaalsContact C-N 3.3Å; L259-Q261 PolarHBondContact O-N 3.33Å; Q261-Q263 PolarHBondContact O-N 3.23Å; Q261-V463 PolarHBondContact NE2-O 3.43Å
262	E	88.2	Confident	90.5	Very high	128 Å²	128	63.1 Å²	63.1	60%	0.598	33%	0.33	S	S	*	.	S	Bend	trans	-58.5	136.4	173.2	-167.5	176.4	-172.6	0	0	110.7	A258 L259 G265 N420	A258-E262 PolarHBondContact O-N 3.26Å; L259-E262 PolarHBondContact O-N 2.87Å; E262-G265 PolarHBondContact O-N 3.43Å; E262-G265 VanDerWaalsContact O-N 3.09Å; E262-N420 PolarHBondContact O-ND2 3.44Å; E262-N420 VanDerWaalsContact O-ND2 3.15Å
263	Q	83.6	Confident	90.6	Very high	167 Å²	167	63.6 Å²	63.6	78%	0.78	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	136.9	-178.3	-70.7	-70	-12.8	0	0	110.4	Q261	Q261-Q263 PolarHBondContact O-N 3.23Å
264	P	80.9	Confident	90.7	Very high	80 Å²	80	65.5 Å²	65.5	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.8	4.2	18.7	35.5	-37.5	0	0	0	116.3	T266	P264-T266 HydrophobicContact CB-CG2 4.01Å; P264-T266 HydrophobicContact CG-CG2 3.83Å
265	G	82.8	Confident	90.8	Very high	17 Å²	17	67.2 Å²	67.2	18%	0.175	36%	0.359	C	S	.	.			trans	65.3	39	-175.2	0	0	0	0	0	113.4	E262 V461	E262-G265 PolarHBondContact O-N 3.43Å; E262-G265 VanDerWaalsContact O-N 3.09Å; G265-V461 PolarHBondContact O-N 2.95Å
266	T	90.9	Very high	91.1	Very high	35 Å²	35	67.3 Å²	67.3	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.7	-179.5	61.1	0	0	0	0	111.8	P264 V458 F459	P264-T266 HydrophobicContact CB-CG2 4.01Å; P264-T266 HydrophobicContact CG-CG2 3.83Å; T266-V458 HydrophobicContact CG2-CG1 4.26Å; T266-F459 CarbonylContact C-O 3.52Å; T266-F459 WeakPolarHBondContact CA-O 3.12Å
267	A	92.5	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.9	169.6	0	0	0	0	0	109.6	I417 D418 V419 V458 F459 V461	A267-I417 HydrophobicContact CB-CB 4.19Å; A267-I417 HydrophobicContact CB-CD1 3.81Å; A267-I417 HydrophobicContact CB-CG1 4.45Å; A267-D418 CarbonylContact C-O 3.49Å; A267-D418 WeakPolarHBondContact CA-O 3.46Å; A267-V419 HydrophobicContact CB-CG2 3.88Å; A267-V458 VanDerWaalsContact O-CA 3.3Å; A267-V458 WeakPolarHBondContact O-CA 3.35Å; A267-F459 HydrophobicContact CB-CD2 4.24Å; A267-F459 HydrophobicContact CB-CE1 4.16Å; A267-F459 HydrophobicContact CB-CE2 3.78Å; A267-F459 HydrophobicContact CB-CZ 3.74Å; A267-F459 PolarHBondContact N-O 3.33Å; A267-F459 PolarHBondContact O-N 3.01Å; A267-V461 HydrophobicContact CB-CB 3.91Å; A267-V461 HydrophobicContact CB-CG1 3.79Å
268	K	94.5	Very high	91.7	Very high	98 Å²	98	68.3 Å²	68.3	43%	0.426	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.2	168.6	-176	176.8	179.5	-177.8	0	110.2	K270 I417 D418 N456 E457 V458	K268-K270 PolarHBondContact O-N 3.45Å; K268-K270 VanDerWaalsContact O-N 3.14Å; K268-I417 CarbonylContact O-C 3.49Å; K268-I417 WeakPolarHBondContact O-CA 3.14Å; K268-D418 PolarHBondContact N-O 3.18Å; K268-D418 PolarHBondContact O-N 2.85Å; K268-N456 WeakPolarHBondContact CE-OD1 3.5Å; K268-N456 PolarHBondContact NZ-OD1 2.97Å; K268-E457 WeakPolarHBondContact CA-O 3.11Å; K268-V458 HydrophobicContact CB-CG2 4.27Å; K268-V458 HydrophobicContact CG-CG2 4.11Å
269	V	95.1	Very high	91.9	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	111.9	174.4	-178.4	0	0	0	0	109.7	V272 V415 I417 Y453 N454 N456 E457 F459	V269-V272 HydrophobicContact CG1-CG2 3.52Å; V269-V415 HydrophobicContact CG1-CG1 4.08Å; V269-I417 HydrophobicContact CG2-CG2 4.13Å; V269-Y453 HydrophobicContact CG2-CD1 3.98Å; V269-Y453 HydrophobicContact CG2-CG 4.41Å; V269-N454 WeakPolarHBondContact CB-O 3.43Å; V269-N454 WeakPolarHBondContact CG1-O 3.31Å; V269-N456 WeakPolarHBondContact O-CA 3.18Å; V269-N456 PolarHBondContact O-N 3.13Å; V269-E457 HydrophobicContact CB-CB 4.42Å; V269-E457 HydrophobicContact CG2-CB 3.97Å; V269-E457 PolarHBondContact N-O 2.92Å; V269-F459 HydrophobicContact CG2-CD1 4.42Å; V269-F459 HydrophobicContact CG2-CE1 3.82Å
270	K	95.5	Very high	92.3	Very high	121 Å²	121	68.3 Å²	68.3	53%	0.526	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-44	176.3	-85.5	-96.1	-175.8	163.2	0	112.1	K268 A416 D418 I423	K268-K270 PolarHBondContact O-N 3.45Å; K268-K270 VanDerWaalsContact O-N 3.14Å; K270-A416 PolarHBondContact N-O 3.23Å; K270-D418 HydrophobicContact CD-CB 4.47Å; K270-D418 WeakPolarHBondContact CE-OD2 3.46Å; K270-D418 HydrophobicContact CG-CB 3.7Å; K270-D418 IonicContact NZ-OD2 3.78Å; K270-D418 PolarHBondContact NZ-OD2 3.49Å; K270-I423 HydrophobicContact CG-CD1 4.19Å
271	D	95.1	Very high	92.7	Very high	71 Å²	71	69.4 Å²	69.4	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	143.9	-168.5	-171.5	21.8	0	0	0	111.1	V273 V415 A416	D271-V273 WeakPolarHBondContact OD2-CG2 3.13Å; D271-V415 WeakPolarHBondContact O-CA 3.35Å; D271-A416 HydrophobicContact CB-CB 4.19Å; D271-A416 PolarHBondContact N-O 3.27Å; D271-A416 PolarHBondContact O-N 2.92Å
272	V	93.8	Very high	93.1	Very high	47 Å²	47	65.1 Å²	65.1	29%	0.285	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	102.4	176.8	-176.6	0	0	0	0	108	V269 T413 V415 V455	V269-V272 HydrophobicContact CG1-CG2 3.52Å; V272-T413 HydrophobicContact CG1-CG2 4.03Å; V272-V415 HydrophobicContact CG1-CG2 4.22Å; V272-V415 HydrophobicContact CG2-CG1 4.39Å; V272-V415 HydrophobicContact CG2-CG2 4.35Å; V272-V455 HydrophobicContact CB-CG2 4.41Å; V272-V455 HydrophobicContact CG2-CG2 4.21Å
273	V	94	Very high	93.6	Very high	69 Å²	69	62 Å²	62	42%	0.418	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.2	-177.2	-176.7	0	0	0	0	110.1	D271 T413 T414	D271-V273 WeakPolarHBondContact OD2-CG2 3.13Å; V273-T413 CarbonylContact O-C 3.57Å; V273-T413 WeakPolarHBondContact O-CA 3.3Å; V273-T414 PolarHBondContact N-O 2.89Å; V273-T414 PolarHBondContact O-N 3.03Å
274	G	91.8	Very high	94.3	Very high	39 Å²	39	54.2 Å²	54.2	40%	0.402	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.8	169.2	0	0	0	0	0	111.3
275	K	95.3	Very high	95.2	Very high	109 Å²	109	50.6 Å²	50.6	47%	0.474	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.3	172.1	65.5	-178	-179.8	-178.4	0	111.9	T277 Q412	K275-T277 PolarHBondContact O-N 3.15Å; K275-Q412 HydrophobicContact CG-CB 4.3Å; K275-Q412 PolarHBondContact N-O 2.73Å; K275-Q412 PolarHBondContact O-N 3.45Å
276	P	96.5	Very high	95.8	Very high	108 Å²	108	50.4 Å²	50.4	70%	0.701	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	136.6	162.4	-22.1	33.5	0	0	0	109.8	F411	P276-F411 HydrophobicContact CG-CD2 4.46Å; P276-F411 HydrophobicContact CG-CE2 4.35Å
277	T	96.1	Very high	96.1	Very high	36 Å²	36	49 Å²	49	22%	0.221	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152	177.5	-172.1	0	0	0	0	109.8	K275 G410 Q412 L429 W445	K275-T277 PolarHBondContact O-N 3.15Å; T277-G410 PolarHBondContact N-O 3.3Å; T277-G410 PolarHBondContact O-N 2.89Å; T277-G410 VanDerWaalsContact O-O 3.05Å; T277-Q412 HydrophobicContact CG2-CB 3.94Å; T277-L429 HydrophobicContact CG2-CD1 3.48Å; T277-L429 VanDerWaalsContact CG2-CD1 3.48Å; T277-W445 HydrophobicContact CG2-CH2 4.24Å; T277-W445 HydrophobicContact CG2-CZ2 3.88Å
278	T	97.3	Very high	96.3	Very high	72 Å²	72	49.7 Å²	49.7	44%	0.442	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.2	-173.2	-58.5	0	0	0	0	109.3	L280 N407 A408	T278-L280 HydrophobicContact CG2-CD2 4.13Å; T278-N407 HydrophobicContact CG2-CB 3.33Å; T278-A408 CarbonylContact C-O 3.6Å; T278-A408 VanDerWaalsContact CA-O 3.31Å; T278-A408 WeakPolarHBondContact CA-O 3.33Å; T278-A408 WeakPolarHBondContact CG2-O 3.26Å
279	K	97.4	Very high	96.4	Very high	50 Å²	50	48 Å²	48	22%	0.217	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.1	165.4	-158.6	-179.2	179.6	-159.2	0	108.8	N407 A408 Y436 E443 T444 W445	K279-N407 WeakPolarHBondContact O-CB 3.36Å; K279-A408 HydrophobicContact CB-CB 4.08Å; K279-A408 PolarHBondContact N-O 3.28Å; K279-A408 PolarHBondContact O-N 2.73Å; K279-Y436 HydrophobicContact CB-CE1 4.47Å; K279-Y436 VanDerWaalsContact CD-OH 3.23Å; K279-Y436 WeakPolarHBondContact CD-OH 3.32Å; K279-Y436 WeakPolarHBondContact CE-OH 3.46Å; K279-Y436 WeakPolarHBondContact CG-OH 3.41Å; K279-Y436 WeakPolarHBondContact O-CE1 3.45Å; K279-E443 VanDerWaalsContact CE-OE2 3.28Å; K279-E443 WeakPolarHBondContact CE-OE2 3.23Å; K279-E443 IonicContact NZ-OE2 3.38Å; K279-E443 PolarHBondContact NZ-OE2 3.49Å; K279-T444 PolarHBondContact NZ-O 3.32Å; K279-W445 HydrophobicContact CB-CD2 3.96Å; K279-W445 HydrophobicContact CB-CE3 4.2Å; K279-W445 HydrophobicContact CB-CG 4.47Å; K279-W445 HydrophobicContact CB-CH2 4.24Å; K279-W445 HydrophobicContact CB-CZ2 4.02Å; K279-W445 HydrophobicContact CB-CZ3 4.34Å; K279-W445 HydrophobicContact CD-CB 4.02Å; K279-W445 HydrophobicContact CD-CD2 4.15Å; K279-W445 HydrophobicContact CD-CG 3.78Å
280	L	98	Very high	96.5	Very high	85 Å²	85	48 Å²	48	45%	0.445	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-69.5	133.9	-175.2	-57.4	176.7	0	0	0	110.2	T278 R362 N407 Y436	T278-L280 HydrophobicContact CG2-CD2 4.13Å; L280-R362 VanDerWaalsContact CB-NH1 3.27Å; L280-R362 VanDerWaalsContact CD1-NH2 3.35Å; L280-N407 WeakPolarHBondContact CD2-ND2 3.1Å; L280-Y436 PolarHBondContact O-OH 3.39Å
281	R	98.1	Very high	96.6	Very high	24 Å²	24	42.2 Å²	42.2	9%	0.091	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-62	159.1	170.2	74.1	-167.4	176.3	-87.3	11.8	111	N360 R362 C403 S405 N407 Y436	R281-N360 PolarHBondContact NE-O 3.35Å; R281-N360 PolarHBondContact NH2-O 3.12Å; R281-R362 HydrophobicContact CG-CB 3.89Å; R281-R362 WeakPolarHBondContact O-CD 3.27Å; R281-R362 PolarHBondContact O-NH1 3.11Å; R281-C403 VanDerWaalsContact CD-O 3.25Å; R281-C403 WeakPolarHBondContact CD-O 3.4Å; R281-C403 PolarHBondContact NE-O 3.26Å; R281-S405 WeakPolarHBondContact CD-O 3.48Å; R281-S405 PolarHBondContact NE-O 3.33Å; R281-N407 WeakPolarHBondContact CG-OD1 3.39Å; R281-N407 PolarHBondContact N-OD1 3.25Å; R281-N407 PolarHBondContact NH1-OD1 2.85Å; R281-Y436 HydrophobicContact CB-CD1 3.9Å; R281-Y436 HydrophobicContact CB-CD2 4.32Å; R281-Y436 HydrophobicContact CB-CE1 4.45Å; R281-Y436 HydrophobicContact CB-CG 3.82Å
282	P	98.4	Very high	96.8	Very high	12 Å²	12	41 Å²	41	8%	0.078	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64.5	155.7	-178.6	26.7	-34.6	0	0	0	112.2	H399 A402 C403	P282-H399 VanDerWaalsContact CB-CE1 3.5Å; P282-H399 WeakPolarHBondContact CB-CE1 3.32Å; P282-A402 HydrophobicContact CG-CB 3.77Å; P282-C403 HydrophobicContact CG-CB 4.43Å
283	L	98.5	Very high	97	Very high	61 Å²	61	39.8 Å²	39.8	32%	0.319	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-70.4	164	166.8	-61.3	179.2	0	0	0	109.8	R362 H399	L283-R362 HydrophobicContact CD2-CG 3.89Å; L283-R362 WeakPolarHBondContact CD2-O 3.39Å; L283-H399 PolarHBondContact O-NE2 3.48Å
284	P	98.6	Very high	97.2	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-52.8	141.6	165.8	-25.4	31.3	0	0	0	111.8	E286 N326 F328 R362 P373	P284-E286 PolarHBondContact O-N 3.04Å; P284-N326 VanDerWaalsContact CD-O 3.26Å; P284-N326 WeakPolarHBondContact CD-O 3.46Å; P284-N326 WeakPolarHBondContact CG-O 3.49Å; P284-F328 HydrophobicContact CB-CD2 3.99Å; P284-F328 HydrophobicContact CB-CE2 3.64Å; P284-F328 HydrophobicContact CB-CZ 4.26Å; P284-F328 HydrophobicContact CG-CD2 3.68Å; P284-F328 HydrophobicContact CG-CE2 3.69Å; P284-R362 WeakPolarHBondContact CD-O 3.43Å; P284-P373 HydrophobicContact CB-CB 3.48Å; P284-P373 VanDerWaalsContact CB-CB 3.48Å; P284-P373 HydrophobicContact CB-CG 3.43Å; P284-P373 VanDerWaalsContact CB-CG 3.43Å; P284-P373 HydrophobicContact CG-CG 4.36Å
285	L	98.7	Very high	97.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-77.2	120.8	-169.8	-170	64.4	0	0	0	111.2	E289 M290 P373 I374 F395 I396	L285-E289 HydrophobicContact CD1-CB 4.43Å; L285-M290 HydrophobicContact CD1-CB 3.98Å; L285-M290 HydrophobicContact CD2-CB 4.08Å; L285-M290 HydrophobicContact CD2-CG 4.21Å; L285-M290 HydrophobicContact CG-CB 3.98Å; L285-P373 CarbonylContact O-C 3.54Å; L285-I374 HydrophobicContact CB-CB 4.23Å; L285-I374 HydrophobicContact CD2-CB 4.17Å; L285-I374 HydrophobicContact CD2-CG2 4.3Å; L285-I374 HydrophobicContact CG-CB 4.24Å; L285-I374 PolarHBondContact O-N 2.8Å; L285-F395 HydrophobicContact CD1-CE1 4.31Å; L285-F395 HydrophobicContact CD2-CE1 4.11Å; L285-I396 HydrophobicContact CD2-CG1 4.08Å
286	E	96.9	Very high	97.3	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.065	19%	0.193	C	C	.	.			trans	-104.9	168.1	168.5	67	-175.3	-150.3	0	0	110.6	P284 V288 E289 M290 N326 K366	P284-E286 PolarHBondContact O-N 3.04Å; E286-V288 PolarHBondContact O-N 3.37Å; E286-E289 HydrophobicContact CG-CB 4.07Å; E286-E289 PolarHBondContact O-N 3.22Å; E286-M290 WeakPolarHBondContact O-CB 3.4Å; E286-M290 PolarHBondContact O-N 2.95Å; E286-N326 WeakPolarHBondContact OE2-CB 3.21Å; E286-N326 PolarHBondContact OE2-ND2 2.93Å; E286-K366 IonicContact OE1-NZ 3.6Å; E286-K366 PolarHBondContact OE1-NZ 3.4Å; E286-K366 WeakPolarHBondContact OE2-CD 3.25Å; E286-K366 IonicContact OE2-NZ 3.17Å
287	T	96.3	Very high	97.3	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-47.3	-173.3	-57.8	0	0	0	0	113.3	E289 M290 E291 M306 P321 R322 T323 A494	T287-E289 VanDerWaalsContact C-N 3.33Å; T287-E289 PolarHBondContact O-N 2.76Å; T287-M290 WeakPolarHBondContact O-CB 3.36Å; T287-M290 PolarHBondContact O-N 2.93Å; T287-E291 HydrophobicContact CG2-CG 4.41Å; T287-E291 WeakPolarHBondContact O-CG 3.33Å; T287-E291 PolarHBondContact O-N 2.75Å; T287-M306 HydrophobicContact CG2-CE 3.9Å; T287-M306 HydrophobicContact CG2-SD 3.63Å; T287-P321 PolarHBondContact OG1-O 2.85Å; T287-R322 VanDerWaalsContact OG1-CA 3.26Å; T287-R322 WeakPolarHBondContact OG1-CA 3.21Å; T287-T323 PolarHBondContact N-O 2.96Å; T287-T323 PolarHBondContact OG1-N 3.5Å; T287-T323 PolarHBondContact OG1-O 2.93Å; T287-T323 VanDerWaalsContact OG1-O 3.08Å; T287-A494 HydrophobicContact CG2-CB 3.75Å
288	V	95.7	Very high	97.3	Very high	15 Å²	15	33.9 Å²	33.9	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-42.9	-177	176.9	0	0	0	0	111.2	E286 E291 K292 I482 E486	E286-V288 PolarHBondContact O-N 3.37Å; V288-E291 PolarHBondContact O-N 2.97Å; V288-K292 HydrophobicContact CG1-CD 3.78Å; V288-K292 WeakPolarHBondContact O-CB 3.47Å; V288-K292 WeakPolarHBondContact O-CD 3.21Å; V288-K292 VanDerWaalsContact O-CG 3.28Å; V288-K292 WeakPolarHBondContact O-CG 3.26Å; V288-K292 PolarHBondContact O-N 2.76Å; V288-I482 HydrophobicContact CG1-CG2 3.69Å; V288-E486 HydrophobicContact CG1-CB 4.28Å; V288-E486 HydrophobicContact CG1-CG 4.29Å; V288-E486 VanDerWaalsContact CG1-OE2 3.29Å; V288-E486 WeakPolarHBondContact CG1-OE2 3.4Å
289	E	97.1	Very high	97.2	Very high	62 Å²	62	39.5 Å²	39.5	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-70.6	-34.2	178.6	-164.7	60.1	-166.5	0	0	111.7	L285 E286 T287 K292 L293	L285-E289 HydrophobicContact CD1-CB 4.43Å; E286-E289 HydrophobicContact CG-CB 4.07Å; E286-E289 PolarHBondContact O-N 3.22Å; T287-E289 VanDerWaalsContact C-N 3.33Å; T287-E289 PolarHBondContact O-N 2.76Å; E289-K292 IonicContact OE2-NZ 3.78Å; E289-K292 PolarHBondContact OE2-NZ 2.89Å; E289-L293 HydrophobicContact CG-CD1 3.76Å; E289-L293 HydrophobicContact CG-CG 4.17Å; E289-L293 VanDerWaalsContact O-CB 3.27Å; E289-L293 WeakPolarHBondContact O-CB 3.26Å; E289-L293 VanDerWaalsContact O-CG 3.26Å; E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 3.35Å
290	M	98.4	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-52.1	170.5	-179.4	-179.7	65.5	0	0	111.5	L285 E286 T287 K292 I294 T305 M306 A309 P321 I374 I396	L285-M290 HydrophobicContact CD1-CB 3.98Å; L285-M290 HydrophobicContact CD2-CB 4.08Å; L285-M290 HydrophobicContact CD2-CG 4.21Å; L285-M290 HydrophobicContact CG-CB 3.98Å; E286-M290 WeakPolarHBondContact O-CB 3.4Å; E286-M290 PolarHBondContact O-N 2.95Å; T287-M290 WeakPolarHBondContact O-CB 3.36Å; T287-M290 PolarHBondContact O-N 2.93Å; M290-K292 PolarHBondContact O-N 3.36Å; M290-I294 HydrophobicContact CG-CD1 3.57Å; M290-I294 HydrophobicContact CG-CG1 4.39Å; M290-I294 VanDerWaalsContact O-CB 3.24Å; M290-I294 WeakPolarHBondContact O-CB 3.44Å; M290-I294 WeakPolarHBondContact O-CG1 3.19Å; M290-I294 PolarHBondContact O-N 2.85Å; M290-I294 HydrophobicContact SD-CD1 4.4Å; M290-T305 HydrophobicContact CE-CG2 4.23Å; M290-T305 HydrophobicContact CG-CG2 4.09Å; M290-T305 HydrophobicContact SD-CG2 4.4Å; M290-M306 HydrophobicContact CE-SD 3.64Å; M290-A309 HydrophobicContact CE-CB 3.98Å; M290-A309 HydrophobicContact SD-CB 4.19Å; M290-P321 HydrophobicContact CE-CB 4.22Å; M290-I374 HydrophobicContact CB-CD1 4.22Å; M290-I374 HydrophobicContact CE-CD1 3.74Å; M290-I374 HydrophobicContact SD-CD1 3.77Å; M290-I374 HydrophobicContact SD-CG2 4.29Å; M290-I396 HydrophobicContact SD-CD1 4.23Å
291	E	97.7	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-46.3	180	-68.7	-179.5	134.6	0	0	111.5	T287 V288 S295 A302 M306 I482 H496 A497	T287-E291 HydrophobicContact CG2-CG 4.41Å; T287-E291 WeakPolarHBondContact O-CG 3.33Å; T287-E291 PolarHBondContact O-N 2.75Å; V288-E291 PolarHBondContact O-N 2.97Å; E291-S295 WeakPolarHBondContact O-CB 3.15Å; E291-S295 PolarHBondContact O-N 2.61Å; E291-A302 HydrophobicContact CB-CB 4.08Å; E291-A302 HydrophobicContact CG-CB 4.18Å; E291-M306 HydrophobicContact CG-CG 4.27Å; E291-M306 HydrophobicContact CG-SD 4.12Å; E291-M306 VanDerWaalsContact OE1-CG 3.23Å; E291-M306 WeakPolarHBondContact OE1-CG 3.06Å; E291-I482 HydrophobicContact CB-CD1 3.93Å; E291-H496 IonicContact OE2-ND1 3.93Å; E291-A497 WeakPolarHBondContact OE1-CB 3.36Å
292	K	97.3	Very high	96.9	Very high	47 Å²	47	33.6 Å²	33.6	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-52.3	178.9	-73.7	164.8	61	-155.2	0	112.2	V288 E289 M290 S295 Q296 A479 I482	V288-K292 HydrophobicContact CG1-CD 3.78Å; V288-K292 WeakPolarHBondContact O-CB 3.47Å; V288-K292 WeakPolarHBondContact O-CD 3.21Å; V288-K292 VanDerWaalsContact O-CG 3.28Å; V288-K292 WeakPolarHBondContact O-CG 3.26Å; V288-K292 PolarHBondContact O-N 2.76Å; E289-K292 IonicContact OE2-NZ 3.78Å; E289-K292 PolarHBondContact OE2-NZ 2.89Å; M290-K292 PolarHBondContact O-N 3.36Å; K292-S295 PolarHBondContact O-N 3.42Å; K292-Q296 VanDerWaalsContact O-CB 3.32Å; K292-Q296 WeakPolarHBondContact O-CB 3.42Å; K292-Q296 PolarHBondContact O-N 3.08Å; K292-A479 HydrophobicContact CB-CB 4.06Å; K292-A479 HydrophobicContact CG-CB 4.22Å; K292-I482 HydrophobicContact CD-CG2 4.08Å; K292-I482 HydrophobicContact CG-CB 4Å; K292-I482 HydrophobicContact CG-CG2 3.77Å
293	L	98	Very high	96.8	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.105	17%	0.173	C	C	.	.	H	α-helix	trans	-69.1	-38.7	-176.2	-69.1	175.6	0	0	0	111.4	E289 Q296 K297 F395	E289-L293 HydrophobicContact CG-CD1 3.76Å; E289-L293 HydrophobicContact CG-CG 4.17Å; E289-L293 VanDerWaalsContact O-CB 3.27Å; E289-L293 WeakPolarHBondContact O-CB 3.26Å; E289-L293 VanDerWaalsContact O-CG 3.26Å; E289-L293 WeakPolarHBondContact O-CG 3.37Å; E289-L293 PolarHBondContact O-N 3.35Å; L293-Q296 PolarHBondContact O-N 3.19Å; L293-K297 WeakPolarHBondContact O-CA 3.41Å; L293-K297 WeakPolarHBondContact O-CB 3.3Å; L293-K297 WeakPolarHBondContact O-CG 3.47Å; L293-K297 PolarHBondContact O-N 3.13Å; L293-F395 HydrophobicContact CB-CE1 4.42Å; L293-F395 HydrophobicContact CB-CE2 3.97Å; L293-F395 HydrophobicContact CB-CZ 3.46Å; L293-F395 VanDerWaalsContact CB-CZ 3.46Å; L293-F395 HydrophobicContact CD1-CZ 3.85Å; L293-F395 HydrophobicContact CG-CZ 4.31Å
294	I	98.3	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69	-41	178.1	-71.7	177.7	0	0	0	111	M290 L298 R299 I300 T305 V392 F395	M290-I294 HydrophobicContact CG-CD1 3.57Å; M290-I294 HydrophobicContact CG-CG1 4.39Å; M290-I294 VanDerWaalsContact O-CB 3.24Å; M290-I294 WeakPolarHBondContact O-CB 3.44Å; M290-I294 WeakPolarHBondContact O-CG1 3.19Å; M290-I294 PolarHBondContact O-N 2.85Å; M290-I294 HydrophobicContact SD-CD1 4.4Å; I294-L298 HydrophobicContact CG1-CD1 4.2Å; I294-L298 HydrophobicContact CG2-CB 4.22Å; I294-L298 HydrophobicContact CG2-CD1 4.11Å; I294-L298 HydrophobicContact CG2-CG 4.45Å; I294-L298 CarbonylContact O-C 3.54Å; I294-L298 WeakPolarHBondContact O-CA 3.42Å; I294-L298 VanDerWaalsContact O-CB 3.31Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 PolarHBondContact O-N 3.18Å; I294-R299 PolarHBondContact O-N 2.93Å; I294-I300 HydrophobicContact CG2-CB 3.74Å; I294-I300 HydrophobicContact CG2-CD1 4.37Å; I294-I300 HydrophobicContact CG2-CG2 4.18Å; I294-T305 HydrophobicContact CB-CG2 4.04Å; I294-T305 HydrophobicContact CD1-CG2 3.58Å; I294-T305 HydrophobicContact CG1-CG2 4.38Å; I294-T305 HydrophobicContact CG2-CG2 3.92Å; I294-T305 WeakPolarHBondContact CG2-OG1 3.16Å; I294-V392 HydrophobicContact CD1-CG1 4.01Å; I294-V392 HydrophobicContact CD1-CG2 4.34Å; I294-F395 HydrophobicContact CD1-CD1 3.77Å; I294-F395 HydrophobicContact CD1-CE1 4.17Å; I294-F395 HydrophobicContact CD1-CG 4.34Å; I294-F395 HydrophobicContact CG1-CD1 3.66Å; I294-F395 HydrophobicContact CG1-CD2 4.37Å; I294-F395 HydrophobicContact CG1-CE1 3.83Å; I294-F395 HydrophobicContact CG1-CG 3.97Å; I294-F395 HydrophobicContact CG1-CZ 4.26Å
295	S	96.1	Very high	96.7	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-47.3	173.7	-170.9	0	0	0	0	111.6	E291 K292 R299 I300 E478	E291-S295 WeakPolarHBondContact O-CB 3.15Å; E291-S295 PolarHBondContact O-N 2.61Å; K292-S295 PolarHBondContact O-N 3.42Å; S295-R299 VanDerWaalsContact O-CA 3.26Å; S295-R299 WeakPolarHBondContact O-CA 3.41Å; S295-R299 PolarHBondContact O-N 3.2Å; S295-I300 WeakPolarHBondContact CA-O 3.46Å; S295-I300 PolarHBondContact N-O 3.32Å; S295-E478 PolarHBondContact OG-OE2 2.84Å
296	Q	94.6	Very high	96.6	Very high	122 Å²	122	36.9 Å²	36.9	57%	0.57	17%	0.169	S	C	*	.	H	α-helix	trans	-69.5	-45.6	-179.4	-169	-172.4	24.8	0	0	113.5	K292 L293 A479	K292-Q296 VanDerWaalsContact O-CB 3.32Å; K292-Q296 WeakPolarHBondContact O-CB 3.42Å; K292-Q296 PolarHBondContact O-N 3.08Å; L293-Q296 PolarHBondContact O-N 3.19Å; Q296-A479 HydrophobicContact CB-CB 4.45Å
297	K	96.1	Very high	96.6	Very high	80 Å²	80	39.4 Å²	39.4	35%	0.348	19%	0.189	S	C	.	.	H	α-helix	trans	-93.9	-33.3	-167.8	-54	-65.2	179.7	168.9	0	112.8	L293 Y442	L293-K297 WeakPolarHBondContact O-CA 3.41Å; L293-K297 WeakPolarHBondContact O-CB 3.3Å; L293-K297 WeakPolarHBondContact O-CG 3.47Å; L293-K297 PolarHBondContact O-N 3.13Å; K297-Y442 HydrophobicContact CB-CD1 4.04Å; K297-Y442 WeakPolarHBondContact CE-O 3.35Å; K297-Y442 PolarHBondContact NZ-O 3.48Å
298	L	96.8	Very high	96.6	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-105.8	-10.4	-178.8	-54	-172.8	0	0	0	113.1	I294 I300 R391 F395 Y442	I294-L298 HydrophobicContact CG1-CD1 4.2Å; I294-L298 HydrophobicContact CG2-CB 4.22Å; I294-L298 HydrophobicContact CG2-CD1 4.11Å; I294-L298 HydrophobicContact CG2-CG 4.45Å; I294-L298 CarbonylContact O-C 3.54Å; I294-L298 WeakPolarHBondContact O-CA 3.42Å; I294-L298 VanDerWaalsContact O-CB 3.31Å; I294-L298 WeakPolarHBondContact O-CB 3.48Å; I294-L298 PolarHBondContact O-N 3.18Å; L298-I300 HydrophobicContact CB-CD1 3.83Å; L298-I300 HydrophobicContact CB-CG1 4Å; L298-I300 HydrophobicContact CD1-CD1 4.12Å; L298-I300 PolarHBondContact O-N 3.08Å; L298-R391 HydrophobicContact CD1-CB 4.3Å; L298-R391 PolarHBondContact O-NH2 3.12Å; L298-F395 HydrophobicContact CD1-CB 3.98Å; L298-F395 HydrophobicContact CD1-CG 4.42Å; L298-Y442 HydrophobicContact CD2-CD1 4.46Å; L298-Y442 HydrophobicContact CD2-CE1 3.83Å
299	R	94.9	Very high	96.7	Very high	189 Å²	189	39.6 Å²	39.6	71%	0.713	19%	0.189	S	C	*	.			trans	55.7	40.3	-174.4	-54.1	-176.2	178.5	-141.3	0.7	111.9	I294 S295	I294-R299 PolarHBondContact O-N 2.93Å; S295-R299 VanDerWaalsContact O-CA 3.26Å; S295-R299 WeakPolarHBondContact O-CA 3.41Å; S295-R299 PolarHBondContact O-N 3.2Å
300	I	96.5	Very high	96.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.183	C	C	.	.			trans	-111.8	126.7	175.2	-63.3	171	0	0	0	106.3	I294 S295 L298 E304 L308 N388 R391 V392	I294-I300 HydrophobicContact CG2-CB 3.74Å; I294-I300 HydrophobicContact CG2-CD1 4.37Å; I294-I300 HydrophobicContact CG2-CG2 4.18Å; S295-I300 WeakPolarHBondContact CA-O 3.46Å; S295-I300 PolarHBondContact N-O 3.32Å; L298-I300 HydrophobicContact CB-CD1 3.83Å; L298-I300 HydrophobicContact CB-CG1 4Å; L298-I300 HydrophobicContact CD1-CD1 4.12Å; L298-I300 PolarHBondContact O-N 3.08Å; I300-E304 HydrophobicContact CG2-CB 3.86Å; I300-E304 HydrophobicContact CG2-CG 3.91Å; I300-L308 HydrophobicContact CG2-CD1 4.41Å; I300-N388 HydrophobicContact CD1-CB 3.96Å; I300-R391 HydrophobicContact CD1-CB 4.48Å; I300-V392 HydrophobicContact CD1-CG2 4.05Å
301	S	95.4	Very high	96.5	Very high	34 Å²	34	42.8 Å²	42.8	24%	0.238	20%	0.202	C	C	.	.			trans	-61.9	156.8	-175.4	69.3	0	0	0	0	112.4	K303 E304 T305 E478	S301-K303 VanDerWaalsContact C-N 3.28Å; S301-K303 PolarHBondContact O-N 3.36Å; S301-E304 PolarHBondContact O-N 3.07Å; S301-E304 WeakPolarHBondContact OG-CB 3.37Å; S301-E304 PolarHBondContact OG-N 2.72Å; S301-T305 WeakPolarHBondContact O-CB 3.34Å; S301-T305 PolarHBondContact O-N 3.04Å; S301-T305 PolarHBondContact O-OG1 3.33Å; S301-E478 VanDerWaalsContact CA-OE2 3.23Å; S301-E478 WeakPolarHBondContact CA-OE2 3.48Å
302	A	95.6	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-41.4	176.6	0	0	0	0	0	112.4	E291 E304 T305 M306 E478 I482 A497	E291-A302 HydrophobicContact CB-CB 4.08Å; E291-A302 HydrophobicContact CG-CB 4.18Å; A302-E304 PolarHBondContact O-N 3.26Å; A302-T305 WeakPolarHBondContact O-CB 3.03Å; A302-T305 PolarHBondContact O-N 3.19Å; A302-M306 PolarHBondContact O-N 3.19Å; A302-E478 PolarHBondContact N-OE2 3.07Å; A302-I482 HydrophobicContact CB-CD1 3.84Å; A302-A497 HydrophobicContact CB-CB 3.84Å
303	K	95.6	Very high	96.3	Very high	89 Å²	89	40.6 Å²	40.6	39%	0.387	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-43.9	178	-175.9	62.1	177.3	-179.9	0	112.8	S301 T305 S307 A497 E501	S301-K303 VanDerWaalsContact C-N 3.28Å; S301-K303 PolarHBondContact O-N 3.36Å; K303-T305 VanDerWaalsContact C-N 3.34Å; K303-S307 PolarHBondContact O-N 3.42Å; K303-A497 HydrophobicContact CB-CB 4.34Å; K303-E501 HydrophobicContact CG-CG 4.35Å
304	E	97.2	Very high	95.9	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-66.7	-39.4	175.8	-169.9	-174.2	167.3	0	0	110.8	I300 S301 A302 M306 S307 L308 N388	I300-E304 HydrophobicContact CG2-CB 3.86Å; I300-E304 HydrophobicContact CG2-CG 3.91Å; S301-E304 PolarHBondContact O-N 3.07Å; S301-E304 WeakPolarHBondContact OG-CB 3.37Å; S301-E304 PolarHBondContact OG-N 2.72Å; A302-E304 PolarHBondContact O-N 3.26Å; E304-M306 PolarHBondContact O-N 3.02Å; E304-S307 PolarHBondContact O-N 3.19Å; E304-L308 HydrophobicContact CG-CD1 3.92Å; E304-L308 HydrophobicContact CG-CG 4.31Å; E304-L308 WeakPolarHBondContact O-CB 3.15Å; E304-L308 VanDerWaalsContact O-CG 3.27Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.08Å; E304-N388 PolarHBondContact OE1-ND2 3.05Å
305	T	98.2	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-51.2	176.2	-60.3	0	0	0	0	111.4	M290 I294 S301 A302 K303 S307 L308 A309	M290-T305 HydrophobicContact CE-CG2 4.23Å; M290-T305 HydrophobicContact CG-CG2 4.09Å; M290-T305 HydrophobicContact SD-CG2 4.4Å; I294-T305 HydrophobicContact CB-CG2 4.04Å; I294-T305 HydrophobicContact CD1-CG2 3.58Å; I294-T305 HydrophobicContact CG1-CG2 4.38Å; I294-T305 HydrophobicContact CG2-CG2 3.92Å; I294-T305 WeakPolarHBondContact CG2-OG1 3.16Å; S301-T305 WeakPolarHBondContact O-CB 3.34Å; S301-T305 PolarHBondContact O-N 3.04Å; S301-T305 PolarHBondContact O-OG1 3.33Å; A302-T305 WeakPolarHBondContact O-CB 3.03Å; A302-T305 PolarHBondContact O-N 3.19Å; K303-T305 VanDerWaalsContact C-N 3.34Å; T305-S307 PolarHBondContact O-N 3.3Å; T305-L308 PolarHBondContact O-N 3.32Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.38Å; T305-A309 PolarHBondContact O-N 3.37Å
306	M	96	Very high	95.3	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-42	178.8	-69.8	-53.6	-65	0	0	112.4	T287 M290 E291 A302 E304 L308 A309 E310 R322 A494	T287-M306 HydrophobicContact CG2-CE 3.9Å; T287-M306 HydrophobicContact CG2-SD 3.63Å; M290-M306 HydrophobicContact CE-SD 3.64Å; E291-M306 HydrophobicContact CG-CG 4.27Å; E291-M306 HydrophobicContact CG-SD 4.12Å; E291-M306 VanDerWaalsContact OE1-CG 3.23Å; E291-M306 WeakPolarHBondContact OE1-CG 3.06Å; A302-M306 PolarHBondContact O-N 3.19Å; E304-M306 PolarHBondContact O-N 3.02Å; M306-L308 PolarHBondContact O-N 3.48Å; M306-A309 PolarHBondContact O-N 3.35Å; M306-E310 WeakPolarHBondContact O-CB 3.38Å; M306-E310 WeakPolarHBondContact O-CG 3.46Å; M306-E310 PolarHBondContact O-N 3.18Å; M306-R322 HydrophobicContact CE-CG 3.39Å; M306-A494 HydrophobicContact CE-CB 4.39Å
307	S	96.1	Very high	95.4	Very high	68 Å²	68	39 Å²	39	48%	0.476	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-45.1	175.9	-179.2	0	0	0	0	112.4	K303 E304 T305 K311	K303-S307 PolarHBondContact O-N 3.42Å; E304-S307 PolarHBondContact O-N 3.19Å; T305-S307 PolarHBondContact O-N 3.3Å; S307-K311 WeakPolarHBondContact O-CB 3.32Å; S307-K311 PolarHBondContact O-N 3.49Å
308	L	97.9	Very high	95.4	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.115	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-40.4	178.1	-67.6	171.6	0	0	0	111.9	I300 E304 T305 M306 K311 L312 N388 L389 V392	I300-L308 HydrophobicContact CG2-CD1 4.41Å; E304-L308 HydrophobicContact CG-CD1 3.92Å; E304-L308 HydrophobicContact CG-CG 4.31Å; E304-L308 WeakPolarHBondContact O-CB 3.15Å; E304-L308 VanDerWaalsContact O-CG 3.27Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 3.08Å; T305-L308 PolarHBondContact O-N 3.32Å; M306-L308 PolarHBondContact O-N 3.48Å; L308-K311 WeakPolarHBondContact O-CB 3.37Å; L308-K311 PolarHBondContact O-N 2.58Å; L308-L312 WeakPolarHBondContact O-CG 3.26Å; L308-L312 PolarHBondContact O-N 3.34Å; L308-N388 HydrophobicContact CD1-CB 3.57Å; L308-L389 HydrophobicContact CB-CD1 4.22Å; L308-L389 HydrophobicContact CD2-CB 4.14Å; L308-L389 HydrophobicContact CD2-CD1 3.87Å; L308-L389 WeakPolarHBondContact O-CD1 3.49Å; L308-V392 HydrophobicContact CB-CG2 4.23Å; L308-V392 HydrophobicContact CD1-CG2 3.82Å
309	A	97.9	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-44.7	176.9	0	0	0	0	0	111.4	M290 T305 M306 K311 L312 Y313 I318 P321	M290-A309 HydrophobicContact CE-CB 3.98Å; M290-A309 HydrophobicContact SD-CB 4.19Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.38Å; T305-A309 PolarHBondContact O-N 3.37Å; M306-A309 PolarHBondContact O-N 3.35Å; A309-K311 VanDerWaalsContact C-N 3.26Å; A309-K311 PolarHBondContact O-N 2.84Å; A309-L312 WeakPolarHBondContact O-CB 3.38Å; A309-L312 PolarHBondContact O-N 3.1Å; A309-L312 VanDerWaalsContact O-N 3.12Å; A309-Y313 PolarHBondContact O-N 2.7Å; A309-I318 HydrophobicContact CB-CD1 4.11Å; A309-I318 WeakPolarHBondContact O-CD1 3.39Å; A309-P321 HydrophobicContact CB-CB 3.6Å; A309-P321 HydrophobicContact CB-CG 4.04Å
310	E	94.8	Very high	95.4	Very high	36 Å²	36	25.6 Å²	25.6	17%	0.168	13%	0.133	C	C	.	.	H	α-helix	trans	-57.8	-40.3	173.2	-78.8	178.6	-154.6	0	0	111.8	K11 M306 Y313 T314 P321 R322	K11-E310 IonicContact NZ-OE2 3.38Å; K11-E310 PolarHBondContact NZ-OE2 2.81Å; M306-E310 WeakPolarHBondContact O-CB 3.38Å; M306-E310 WeakPolarHBondContact O-CG 3.46Å; M306-E310 PolarHBondContact O-N 3.18Å; E310-Y313 PolarHBondContact O-N 2.95Å; E310-T314 WeakPolarHBondContact O-CB 3.43Å; E310-T314 PolarHBondContact O-N 3.35Å; E310-T314 PolarHBondContact O-OG1 2.67Å; E310-P321 HydrophobicContact CG-CG 4.22Å; E310-R322 IonicContact OE1-CZ 3.85Å; E310-R322 IonicContact OE1-NE 3.32Å; E310-R322 PolarHBondContact OE1-NE 2.92Å; E310-R322 IonicContact OE1-NH2 3.45Å; E310-R322 PolarHBondContact OE1-NH2 2.9Å
311	K	94.7	Very high	95.4	Very high	93 Å²	93	25.6 Å²	25.6	40%	0.404	13%	0.133	S	C	.	.	H	α-helix	trans	-64.7	-42	175.7	-173.6	172.1	-177.8	174	0	112.2	S307 L308 A309 Q315 L389	S307-K311 WeakPolarHBondContact O-CB 3.32Å; S307-K311 PolarHBondContact O-N 3.49Å; L308-K311 WeakPolarHBondContact O-CB 3.37Å; L308-K311 PolarHBondContact O-N 2.58Å; A309-K311 VanDerWaalsContact C-N 3.26Å; A309-K311 PolarHBondContact O-N 2.84Å; K311-Q315 WeakPolarHBondContact O-CB 3.4Å; K311-Q315 VanDerWaalsContact O-CG 3.26Å; K311-Q315 WeakPolarHBondContact O-CG 3.32Å; K311-Q315 PolarHBondContact O-N 2.83Å; K311-Q315 VanDerWaalsContact O-N 3.12Å; K311-L389 HydrophobicContact CB-CD1 4.19Å; K311-L389 HydrophobicContact CD-CD1 4.11Å; K311-L389 HydrophobicContact CD-CD2 4.24Å; K311-L389 HydrophobicContact CG-CD1 4.21Å
312	L	96.7	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-42.1	175.3	-70.8	170.4	0	0	0	111.7	L308 A309 Q315 G316 Y317 I318 L385 L389 V392 Y393 I396	L308-L312 WeakPolarHBondContact O-CG 3.26Å; L308-L312 PolarHBondContact O-N 3.34Å; A309-L312 WeakPolarHBondContact O-CB 3.38Å; A309-L312 PolarHBondContact O-N 3.1Å; A309-L312 VanDerWaalsContact O-N 3.12Å; L312-Q315 CarbonylContact O-C 3.53Å; L312-Q315 PolarHBondContact O-N 3.43Å; L312-G316 PolarHBondContact O-N 3.12Å; L312-Y317 HydrophobicContact CD2-CD2 4.02Å; L312-Y317 HydrophobicContact CD2-CG 4.4Å; L312-Y317 PolarHBondContact O-N 3.08Å; L312-I318 HydrophobicContact CB-CD1 3.8Å; L312-I318 HydrophobicContact CB-CG1 3.7Å; L312-I318 HydrophobicContact CB-CG2 4.31Å; L312-I318 HydrophobicContact CD1-CD1 4.33Å; L312-L385 HydrophobicContact CD2-CD1 3.75Å; L312-L385 HydrophobicContact CD2-CD2 4.07Å; L312-L389 HydrophobicContact CD1-CD1 4.42Å; L312-L389 HydrophobicContact CD2-CD1 3.77Å; L312-L389 HydrophobicContact CD2-CG 3.88Å; L312-L389 HydrophobicContact CG-CD1 3.68Å; L312-L389 HydrophobicContact CG-CG 4.33Å; L312-V392 HydrophobicContact CD1-CB 4.38Å; L312-V392 HydrophobicContact CD1-CG1 3.94Å; L312-Y393 HydrophobicContact CD2-CD2 4.38Å; L312-I396 HydrophobicContact CD1-CD1 4.42Å
313	Y	95.2	Very high	95.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-48.9	176.1	157.1	-104	0	0	0	111.6	D117 F147 I150 A309 E310 Q315 G316 Y320	D117-Y313 VanDerWaalsContact OD1-CE1 3.3Å; D117-Y313 WeakPolarHBondContact OD1-CE1 3.18Å; D117-Y313 PolarHBondContact OD1-OH 3.17Å; F147-Y313 VanDerWaalsContact CE2-OH 3.3Å; F147-Y313 WeakPolarHBondContact CE2-OH 3.15Å; I150-Y313 HydrophobicContact CD1-CE1 4.45Å; I150-Y313 HydrophobicContact CG1-CE2 4.18Å; A309-Y313 PolarHBondContact O-N 2.7Å; E310-Y313 PolarHBondContact O-N 2.95Å; Y313-Q315 PolarHBondContact O-N 2.74Å; Y313-G316 WeakPolarHBondContact O-CA 3.38Å; Y313-G316 PolarHBondContact O-N 2.89Å; Y313-Y320 AromaticContact CD1-CD2 3.99Å; Y313-Y320 HydrophobicContact CD1-CD2 3.99Å; Y313-Y320 HydrophobicContact CD1-CE2 4.42Å; Y313-Y320 HydrophobicContact CD2-CD2 4.07Å; Y313-Y320 AromaticContact CE1-CD2 3.68Å; Y313-Y320 HydrophobicContact CE1-CD2 3.68Å; Y313-Y320 HydrophobicContact CE1-CE2 4Å; Y313-Y320 AromaticContact CE2-CD2 3.75Å; Y313-Y320 HydrophobicContact CE2-CD2 3.75Å; Y313-Y320 HydrophobicContact CE2-CG 4.38Å; Y313-Y320 HydrophobicContact CG-CD2 4.17Å; Y313-Y320 AromaticContact CZ-CD2 3.54Å
314	T	90.2	Very high	95.1	Very high	22 Å²	22	26.9 Å²	26.9	14%	0.135	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-28.6	179.7	-52.4	0	0	0	0	111.8	D13 E310 G316	D13-T314 HydrophobicContact CB-CG2 3.37Å; E310-T314 WeakPolarHBondContact O-CB 3.43Å; E310-T314 PolarHBondContact O-N 3.35Å; E310-T314 PolarHBondContact O-OG1 2.67Å; T314-G316 VanDerWaalsContact C-N 3.33Å
315	Q	90.2	Very high	95	Very high	80 Å²	80	24.3 Å²	24.3	37%	0.374	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3	174.4	-67.9	180	-10.3	0	0	114	K311 L312 Y313 Y317 R378	K311-Q315 WeakPolarHBondContact O-CB 3.4Å; K311-Q315 VanDerWaalsContact O-CG 3.26Å; K311-Q315 WeakPolarHBondContact O-CG 3.32Å; K311-Q315 PolarHBondContact O-N 2.83Å; K311-Q315 VanDerWaalsContact O-N 3.12Å; L312-Q315 CarbonylContact O-C 3.53Å; L312-Q315 PolarHBondContact O-N 3.43Å; Y313-Q315 PolarHBondContact O-N 2.74Å; Q315-Y317 HydrophobicContact CB-CD2 3.61Å; Q315-Y317 HydrophobicContact CB-CE2 3.67Å; Q315-Y317 PolarHBondContact O-N 2.76Å; Q315-R378 PolarHBondContact O-NH2 3.5Å
316	G	91.2	Very high	95	Very high	13 Å²	13	24.9 Å²	24.9	13%	0.134	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	26.7	176.8	0	0	0	0	0	114.6	L312 Y313 T314 R378	L312-G316 PolarHBondContact O-N 3.12Å; Y313-G316 WeakPolarHBondContact O-CA 3.38Å; Y313-G316 PolarHBondContact O-N 2.89Å; T314-G316 VanDerWaalsContact C-N 3.33Å; G316-R378 VanDerWaalsContact O-CB 3.23Å; G316-R378 WeakPolarHBondContact O-CB 3.36Å
317	Y	95.2	Very high	95	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.047	13%	0.132	C	C	.	.	S	Bend	trans	-88.6	-33.5	176.3	-69.7	-68.9	0	0	0	113.2	L312 Q315 P376 I377 R378 A380 E384 L385 Y393	L312-Y317 HydrophobicContact CD2-CD2 4.02Å; L312-Y317 HydrophobicContact CD2-CG 4.4Å; L312-Y317 PolarHBondContact O-N 3.08Å; Q315-Y317 HydrophobicContact CB-CD2 3.61Å; Q315-Y317 HydrophobicContact CB-CE2 3.67Å; Q315-Y317 PolarHBondContact O-N 2.76Å; Y317-P376 WeakPolarHBondContact O-CA 3.49Å; Y317-I377 PolarHBondContact O-N 3.47Å; Y317-R378 HydrophobicContact CD1-CB 4.34Å; Y317-R378 HydrophobicContact CD1-CG 4.47Å; Y317-R378 VanDerWaalsContact CE2-NH2 3.35Å; Y317-R378 PolarHBondContact O-N 2.78Å; Y317-R378 PolarHBondContact OH-NH2 3.32Å; Y317-R378 VanDerWaalsContact OH-NH2 3.1Å; Y317-A380 HydrophobicContact CD1-CB 3.65Å; Y317-A380 HydrophobicContact CE1-CB 3.39Å; Y317-E384 PolarHBondContact OH-OE2 2.92Å; Y317-L385 HydrophobicContact CD2-CD1 4.49Å; Y317-L385 HydrophobicContact CD2-CD2 4.19Å; Y317-L385 HydrophobicContact CE2-CD2 3.71Å; Y317-L385 HydrophobicContact CE2-CG 4.4Å; Y317-Y393 HydrophobicContact CD1-CE2 4.39Å
318	I	97.8	Very high	95	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-132.1	159.9	-177.5	66.9	170.2	0	0	0	110.9	A309 L312 P321 I374 H375 I377 Y393 I396	A309-I318 HydrophobicContact CB-CD1 4.11Å; A309-I318 WeakPolarHBondContact O-CD1 3.39Å; L312-I318 HydrophobicContact CB-CD1 3.8Å; L312-I318 HydrophobicContact CB-CG1 3.7Å; L312-I318 HydrophobicContact CB-CG2 4.31Å; L312-I318 HydrophobicContact CD1-CD1 4.33Å; I318-P321 HydrophobicContact CD1-CB 4.37Å; I318-I374 HydrophobicContact CD1-CG2 4.32Å; I318-H375 CarbonylContact C-O 3.52Å; I318-H375 VanDerWaalsContact CA-O 3.27Å; I318-H375 WeakPolarHBondContact CA-O 3.2Å; I318-I377 VanDerWaalsContact C-CD1 3.42Å; I318-Y393 HydrophobicContact CG2-CD2 4.22Å; I318-I396 HydrophobicContact CD1-CD1 3.71Å; I318-I396 HydrophobicContact CG2-CD1 4.08Å; I318-I396 HydrophobicContact CG2-CG2 4.06Å
319	S	96.4	Very high	94.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-66.2	166.7	168.5	59.8	0	0	0	0	111.5	P373 I374 H375 I377	S319-P373 PolarHBondContact OG-O 3.3Å; S319-I374 WeakPolarHBondContact OG-CA 3.23Å; S319-H375 PolarHBondContact N-O 2.76Å; S319-H375 PolarHBondContact OG-N 3.01Å; S319-H375 PolarHBondContact OG-ND1 3.42Å; S319-I377 VanDerWaalsContact CA-CD1 3.46Å
320	Y	95.4	Very high	94.4	Very high	4 Å²	4	34 Å²	34	2%	0.016	17%	0.167	C	C	.	.			trans	-54.5	125.9	-177.5	-170	-115.2	0	0	0	112.4	D117 D119 S148 Y313 R322 H371	D117-Y320 HydrophobicContact CB-CE2 3.57Å; D119-Y320 HydrophobicContact CB-CE1 4.04Å; D119-Y320 PolarHBondContact OD2-OH 2.99Å; S148-Y320 WeakPolarHBondContact O-CB 3.36Å; S148-Y320 PolarHBondContact O-N 2.98Å; Y313-Y320 AromaticContact CD1-CD2 3.99Å; Y313-Y320 HydrophobicContact CD1-CD2 3.99Å; Y313-Y320 HydrophobicContact CD1-CE2 4.42Å; Y313-Y320 HydrophobicContact CD2-CD2 4.07Å; Y313-Y320 AromaticContact CE1-CD2 3.68Å; Y313-Y320 HydrophobicContact CE1-CD2 3.68Å; Y313-Y320 HydrophobicContact CE1-CE2 4Å; Y313-Y320 AromaticContact CE2-CD2 3.75Å; Y313-Y320 HydrophobicContact CE2-CD2 3.75Å; Y313-Y320 HydrophobicContact CE2-CG 4.38Å; Y313-Y320 HydrophobicContact CG-CD2 4.17Å; Y313-Y320 AromaticContact CZ-CD2 3.54Å; Y320-R322 HydrophobicContact CD1-CB 4.17Å; Y320-R322 WeakPolarHBondContact CD1-O 3.48Å; Y320-R322 HydrophobicContact CE1-CB 3.56Å; Y320-R322 HydrophobicContact CE1-CG 4.41Å; Y320-R322 WeakPolarHBondContact CE1-O 3.27Å; Y320-R322 PolarHBondContact O-N 3.07Å; Y320-H371 AromaticContact CD1-CD2 3.56Å; Y320-H371 AromaticContact CD1-CE1 3.5Å; Y320-H371 VanDerWaalsContact CD1-CE1 3.5Å; Y320-H371 WeakPolarHBondContact CD1-CE1 3.36Å; Y320-H371 AromaticContact CD1-CG 3.96Å; Y320-H371 AromaticContact CD1-ND1 3.95Å; Y320-H371 AromaticContact CD1-NE2 3.22Å; Y320-H371 WeakPolarHBondContact CD1-NE2 3.48Å; Y320-H371 AromaticContact CE1-NE2 3.53Å; Y320-H371 AromaticContact CG-CE1 4Å
321	P	96.2	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-88.6	3.2	-166	35.2	-37.3	0	0	0	114.7	T287 M290 A309 E310 I318 I374	T287-P321 PolarHBondContact OG1-O 2.85Å; M290-P321 HydrophobicContact CE-CB 4.22Å; A309-P321 HydrophobicContact CB-CB 3.6Å; A309-P321 HydrophobicContact CB-CG 4.04Å; E310-P321 HydrophobicContact CG-CG 4.22Å; I318-P321 HydrophobicContact CD1-CB 4.37Å; P321-I374 HydrophobicContact CB-CD1 4.43Å; P321-I374 WeakPolarHBondContact O-CD1 3.44Å
322	R	94.6	Very high	93.9	Very high	55 Å²	55	36.9 Å²	36.9	21%	0.208	18%	0.183	C	C	.	.			trans	-111.3	88.1	176.4	-64.4	171.2	178.2	-87.3	-0.6	108.6	T287 M306 E310 Y320 A494	T287-R322 VanDerWaalsContact OG1-CA 3.26Å; T287-R322 WeakPolarHBondContact OG1-CA 3.21Å; M306-R322 HydrophobicContact CE-CG 3.39Å; E310-R322 IonicContact OE1-CZ 3.85Å; E310-R322 IonicContact OE1-NE 3.32Å; E310-R322 PolarHBondContact OE1-NE 2.92Å; E310-R322 IonicContact OE1-NH2 3.45Å; E310-R322 PolarHBondContact OE1-NH2 2.9Å; Y320-R322 HydrophobicContact CD1-CB 4.17Å; Y320-R322 WeakPolarHBondContact CD1-O 3.48Å; Y320-R322 HydrophobicContact CE1-CB 3.56Å; Y320-R322 HydrophobicContact CE1-CG 4.41Å; Y320-R322 WeakPolarHBondContact CE1-O 3.27Å; Y320-R322 PolarHBondContact O-N 3.07Å; R322-A494 HydrophobicContact CB-CB 4.12Å; R322-A494 HydrophobicContact CG-CB 3.9Å; R322-A494 PolarHBondContact NH1-O 3.36Å; R322-A494 VanDerWaalsContact NH1-O 3.1Å
323	T	93.2	Very high	93.8	Very high	5 Å²	5	41 Å²	41	3%	0.031	21%	0.205	C	C	.	.			trans	-149.7	144.3	-177.7	179.6	0	0	0	0	110.8	T287 T325 D368 I374	T287-T323 PolarHBondContact N-O 2.96Å; T287-T323 PolarHBondContact OG1-N 3.5Å; T287-T323 PolarHBondContact OG1-O 2.93Å; T287-T323 VanDerWaalsContact OG1-O 3.08Å; T323-T325 VanDerWaalsContact OG1-CB 3.32Å; T323-T325 WeakPolarHBondContact OG1-CB 3.43Å; T323-T325 PolarHBondContact OG1-N 3.41Å; T323-T325 PolarHBondContact OG1-OG1 3.41Å; T323-D368 WeakPolarHBondContact CA-OD2 3.42Å; T323-D368 WeakPolarHBondContact CB-OD2 3.34Å; T323-D368 PolarHBondContact OG1-OD2 3.19Å; T323-I374 HydrophobicContact CG2-CD1 4.36Å; T323-I374 HydrophobicContact CG2-CG1 3.69Å
324	E	92	Very high	93.9	Very high	91 Å²	91	42 Å²	42	43%	0.425	21%	0.21	S	C	.	.			trans	-96.6	2.3	171	-60.5	-174.4	177.5	0	0	111.9	N326 K366 D368	E324-N326 PolarHBondContact O-N 2.99Å; E324-K366 WeakPolarHBondContact O-CB 3.1Å; E324-D368 PolarHBondContact N-OD2 3.07Å
325	T	95.2	Very high	94.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.225	C	C	.	.			trans	-78.3	122.5	-175.9	-62.5	0	0	0	0	111.1	T323 C327 K366 N367 D368 H371 P373	T323-T325 VanDerWaalsContact OG1-CB 3.32Å; T323-T325 WeakPolarHBondContact OG1-CB 3.43Å; T323-T325 PolarHBondContact OG1-N 3.41Å; T323-T325 PolarHBondContact OG1-OG1 3.41Å; T325-C327 WeakPolarHBondContact CG2-O 3.35Å; T325-K366 WeakPolarHBondContact CA-O 3.03Å; T325-N367 HydrophobicContact CG2-CB 4.48Å; T325-D368 PolarHBondContact OG1-N 3.34Å; T325-D368 PolarHBondContact OG1-OD1 2.77Å; T325-D368 PolarHBondContact OG1-OD2 3.31Å; T325-H371 WeakPolarHBondContact CB-O 3.28Å; T325-H371 WeakPolarHBondContact CG2-O 3.14Å; T325-H371 PolarHBondContact OG1-O 2.95Å; T325-P373 HydrophobicContact CG2-CG 4.1Å; T325-P373 WeakPolarHBondContact O-CA 3.45Å
326	N	97.1	Very high	94.5	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	23%	0.234	C	C	.	.			trans	-119.1	26.8	174.1	60.8	34.1	0	0	0	112.7	P284 E286 E324 G364 K365 K366	P284-N326 VanDerWaalsContact CD-O 3.26Å; P284-N326 WeakPolarHBondContact CD-O 3.46Å; P284-N326 WeakPolarHBondContact CG-O 3.49Å; E286-N326 WeakPolarHBondContact OE2-CB 3.21Å; E286-N326 PolarHBondContact OE2-ND2 2.93Å; E324-N326 PolarHBondContact O-N 2.99Å; N326-G364 PolarHBondContact O-N 2.87Å; N326-G364 VanDerWaalsContact OD1-C 3.25Å; N326-G364 WeakPolarHBondContact OD1-CA 3.23Å; N326-K365 PolarHBondContact OD1-N 3.06Å; N326-K366 PolarHBondContact N-O 3.5Å; N326-K366 WeakPolarHBondContact ND2-CG 3.46Å; N326-K366 PolarHBondContact OD1-N 3.17Å; N326-K366 PolarHBondContact OD1-O 3.23Å
327	C	97.5	Very high	94.8	Very high	23 Å²	23	46.5 Å²	46.5	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	-134.4	136.4	170.7	61.3	0	0	0	0	111.5	T325 N363 K366 P373	T325-C327 WeakPolarHBondContact CG2-O 3.35Å; C327-N363 WeakPolarHBondContact CA-OD1 3.43Å; C327-N363 HydrophobicContact CB-CB 3.85Å; C327-K366 PolarHBondContact SG-O 2.92Å; C327-K366 VanDerWaalsContact SG-O 3.41Å; C327-P373 VanDerWaalsContact O-CD 3.26Å; C327-P373 WeakPolarHBondContact O-CD 3.47Å; C327-P373 WeakPolarHBondContact O-CG 3.49Å
328	F	96.4	Very high	95	Very high	15 Å²	15	46 Å²	46	7%	0.066	23%	0.229	C	C	.	.			trans	-77.9	132.2	171.1	-71	-77.1	0	0	0	110.8	P284 I332 L334 P361 N363 P373 H375 F400	P284-F328 HydrophobicContact CB-CD2 3.99Å; P284-F328 HydrophobicContact CB-CE2 3.64Å; P284-F328 HydrophobicContact CB-CZ 4.26Å; P284-F328 HydrophobicContact CG-CD2 3.68Å; P284-F328 HydrophobicContact CG-CE2 3.69Å; F328-I332 HydrophobicContact CD1-CD1 4.03Å; F328-I332 HydrophobicContact CD1-CG2 4.47Å; F328-L334 HydrophobicContact CB-CD2 4.36Å; F328-L334 HydrophobicContact CD1-CD2 3.8Å; F328-L334 HydrophobicContact CD2-CD2 4.29Å; F328-L334 HydrophobicContact CE1-CD2 4.13Å; F328-L334 HydrophobicContact CG-CD2 3.89Å; F328-P361 HydrophobicContact CD2-CB 3.74Å; F328-P361 HydrophobicContact CD2-CG 4.26Å; F328-P361 HydrophobicContact CE2-CB 4.3Å; F328-N363 PolarHBondContact N-OD1 3.47Å; F328-P373 HydrophobicContact CD1-CG 4.04Å; F328-P373 HydrophobicContact CD2-CG 4.36Å; F328-P373 HydrophobicContact CE1-CB 4.1Å; F328-P373 HydrophobicContact CE1-CG 4.05Å; F328-P373 HydrophobicContact CE2-CG 4.38Å; F328-P373 HydrophobicContact CG-CG 4.2Å; F328-P373 HydrophobicContact CZ-CB 4.06Å; F328-P373 HydrophobicContact CZ-CG 4.22Å; F328-H375 HydrophobicContact CE1-CB 4.05Å; F328-H375 AromaticContact CE1-CG 3.95Å; F328-H375 AromaticContact CE1-ND1 3.76Å; F328-H375 HydrophobicContact CZ-CB 4.14Å; F328-F400 HydrophobicContact CE1-CE2 4.47Å; F328-F400 AromaticContact CZ-CD2 3.89Å; F328-F400 HydrophobicContact CZ-CD2 3.89Å; F328-F400 AromaticContact CZ-CE2 4Å; F328-F400 HydrophobicContact CZ-CE2 4Å
329	A	92.6	Very high	95	Very high	45 Å²	45	50.4 Å²	50.4	37%	0.372	25%	0.25	S	S	.	.			trans	-68.2	153.1	170.8	0	0	0	0	0	110.8	E331 I332	A329-E331 WeakPolarHBondContact CB-OE2 3.18Å; A329-E331 PolarHBondContact O-N 2.82Å; A329-I332 HydrophobicContact CB-CD1 4.25Å; A329-I332 HydrophobicContact CB-CG1 4.41Å; A329-I332 PolarHBondContact O-N 3.23Å
330	K	90.3	Very high	95	Very high	202 Å²	202	52.9 Å²	52.9	88%	0.878	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.2	-174.6	-69.7	-176	179.6	178.4	0	112.7	I332	K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 2.72Å
331	E	88.3	Confident	95.1	Very high	149 Å²	149	52.7 Å²	52.7	70%	0.696	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.3	-177.4	-54.6	70.8	-151.4	0	0	112.4	A329 N333	A329-E331 WeakPolarHBondContact CB-OE2 3.18Å; A329-E331 PolarHBondContact O-N 2.82Å; E331-N333 PolarHBondContact O-N 2.94Å
332	I	90.6	Very high	95.2	Very high	41 Å²	41	54.6 Å²	54.6	21%	0.21	27%	0.274	C	S	.	.	S	Bend	trans	-79.8	120	178.8	-61.6	172.5	0	0	0	109.2	F328 A329 K330 L334 L337 P372	F328-I332 HydrophobicContact CD1-CD1 4.03Å; F328-I332 HydrophobicContact CD1-CG2 4.47Å; A329-I332 HydrophobicContact CB-CD1 4.25Å; A329-I332 HydrophobicContact CB-CG1 4.41Å; A329-I332 PolarHBondContact O-N 3.23Å; K330-I332 VanDerWaalsContact C-N 3.28Å; K330-I332 PolarHBondContact O-N 2.72Å; I332-L334 VanDerWaalsContact C-N 3.34Å; I332-L334 HydrophobicContact CG2-CD2 3.92Å; I332-L334 PolarHBondContact O-N 2.99Å; I332-L337 HydrophobicContact CG2-CD1 3.64Å; I332-P372 HydrophobicContact CD1-CB 3.49Å; I332-P372 VanDerWaalsContact CD1-CB 3.49Å; I332-P372 HydrophobicContact CD1-CG 4.47Å
333	N	93.9	Very high	95.3	Very high	86 Å²	86	55.2 Å²	55.2	46%	0.46	29%	0.291	S	S	.	.			trans	-77.1	82.3	178.2	-171.5	-3.1	0	0	0	111.5	E331 V335 E336 L337	E331-N333 PolarHBondContact O-N 2.94Å; N333-V335 PolarHBondContact O-N 3.29Å; N333-V335 WeakPolarHBondContact OD1-CB 3.34Å; N333-V335 PolarHBondContact OD1-N 2.64Å; N333-E336 HydrophobicContact CB-CB 4.22Å; N333-E336 PolarHBondContact ND2-OE2 3.39Å; N333-E336 PolarHBondContact O-N 2.89Å; N333-E336 PolarHBondContact OD1-N 2.93Å; N333-L337 PolarHBondContact O-N 2.99Å
334	L	97.1	Very high	95.5	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.115	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-28.5	179.4	-60.2	178.5	0	0	0	112.9	F328 I332 L337 V338 P359 P361 F400 V404	F328-L334 HydrophobicContact CB-CD2 4.36Å; F328-L334 HydrophobicContact CD1-CD2 3.8Å; F328-L334 HydrophobicContact CD2-CD2 4.29Å; F328-L334 HydrophobicContact CE1-CD2 4.13Å; F328-L334 HydrophobicContact CG-CD2 3.89Å; I332-L334 VanDerWaalsContact C-N 3.34Å; I332-L334 HydrophobicContact CG2-CD2 3.92Å; I332-L334 PolarHBondContact O-N 2.99Å; L334-L337 HydrophobicContact CD2-CD1 4.28Å; L334-L337 PolarHBondContact O-N 3.39Å; L334-V338 WeakPolarHBondContact O-CG2 3.3Å; L334-V338 PolarHBondContact O-N 3.33Å; L334-P359 HydrophobicContact CB-CB 3.97Å; L334-P359 HydrophobicContact CB-CG 3.78Å; L334-P361 HydrophobicContact CD1-CB 4.42Å; L334-P361 HydrophobicContact CD1-CG 3.65Å; L334-F400 HydrophobicContact CD2-CE2 4.14Å; L334-V404 HydrophobicContact CD1-CG1 4.49Å
335	V	97.7	Very high	95.6	Very high	75 Å²	75	56.3 Å²	56.3	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-46.3	178	177.5	0	0	0	0	110.1	N333 L337 V338 Q339 L355 P359	N333-V335 PolarHBondContact O-N 3.29Å; N333-V335 WeakPolarHBondContact OD1-CB 3.34Å; N333-V335 PolarHBondContact OD1-N 2.64Å; V335-L337 PolarHBondContact O-N 3.28Å; V335-V338 PolarHBondContact O-N 2.96Å; V335-Q339 VanDerWaalsContact O-CB 3.28Å; V335-Q339 WeakPolarHBondContact O-CB 3.22Å; V335-Q339 PolarHBondContact O-N 3.37Å; V335-L355 HydrophobicContact CG1-CD2 3.98Å; V335-P359 HydrophobicContact CG2-CG 3.84Å
336	E	96.3	Very high	95.7	Very high	119 Å²	119	61.3 Å²	61.3	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-42.4	177.6	-175.3	175	-179.9	0	0	111.7	N333 V338 Q339 I340	N333-E336 HydrophobicContact CB-CB 4.22Å; N333-E336 PolarHBondContact ND2-OE2 3.39Å; N333-E336 PolarHBondContact O-N 2.89Å; N333-E336 PolarHBondContact OD1-N 2.93Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.33Å; E336-Q339 WeakPolarHBondContact O-CB 3.41Å; E336-Q339 PolarHBondContact O-N 2.88Å; E336-Q339 VanDerWaalsContact O-N 3.16Å; E336-I340 PolarHBondContact O-N 2.94Å
337	L	97	Very high	95.7	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-32.6	178.5	-62.5	175.5	0	0	0	113.1	I332 N333 L334 V335 I340 H375 F400	I332-L337 HydrophobicContact CG2-CD1 3.64Å; N333-L337 PolarHBondContact O-N 2.99Å; L334-L337 HydrophobicContact CD2-CD1 4.28Å; L334-L337 PolarHBondContact O-N 3.39Å; V335-L337 PolarHBondContact O-N 3.28Å; L337-I340 WeakPolarHBondContact O-CG1 3.29Å; L337-H375 VanDerWaalsContact CD1-CD2 3.46Å; L337-H375 WeakPolarHBondContact CD1-CD2 2.95Å; L337-F400 HydrophobicContact CB-CE1 4.1Å; L337-F400 HydrophobicContact CB-CZ 3.66Å; L337-F400 HydrophobicContact CD1-CZ 4.44Å
338	V	98.5	Very high	95.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-74.4	-41.6	170.8	176.4	0	0	0	0	110.7	L334 V335 E336 I340 Q341 A351 V354 L355 P359 F400 L401 V404	L334-V338 WeakPolarHBondContact O-CG2 3.3Å; L334-V338 PolarHBondContact O-N 3.33Å; V335-V338 PolarHBondContact O-N 2.96Å; E336-V338 VanDerWaalsContact C-N 3.33Å; E336-V338 PolarHBondContact O-N 3.33Å; V338-I340 VanDerWaalsContact C-N 3.32Å; V338-I340 PolarHBondContact O-N 3.33Å; V338-Q341 PolarHBondContact O-N 2.82Å; V338-A351 HydrophobicContact CG1-CB 3.99Å; V338-A351 WeakPolarHBondContact CG1-O 3.23Å; V338-V354 HydrophobicContact CG1-CB 4.08Å; V338-V354 HydrophobicContact CG1-CG1 4Å; V338-V354 HydrophobicContact CG2-CG1 4.09Å; V338-L355 HydrophobicContact CB-CD2 3.83Å; V338-L355 HydrophobicContact CB-CG 4.4Å; V338-L355 HydrophobicContact CG1-CD1 4.47Å; V338-L355 HydrophobicContact CG1-CD2 3.68Å; V338-L355 HydrophobicContact CG1-CG 3.7Å; V338-P359 HydrophobicContact CG2-CB 4.17Å; V338-F400 HydrophobicContact CG2-CE1 3.78Å; V338-F400 HydrophobicContact CG2-CZ 3.95Å; V338-L401 HydrophobicContact CG1-CD2 4.19Å; V338-L401 HydrophobicContact CG2-CD2 4.31Å; V338-V404 HydrophobicContact CG2-CG2 3.88Å
339	Q	98.3	Very high	95.8	Very high	94 Å²	94	65.4 Å²	65.4	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-39.3	-177.5	-177.3	62.8	72.9	0	0	112.8	V335 E336 Q341 T342 L355	V335-Q339 VanDerWaalsContact O-CB 3.28Å; V335-Q339 WeakPolarHBondContact O-CB 3.22Å; V335-Q339 PolarHBondContact O-N 3.37Å; E336-Q339 WeakPolarHBondContact O-CB 3.41Å; E336-Q339 PolarHBondContact O-N 2.88Å; E336-Q339 VanDerWaalsContact O-N 3.16Å; Q339-Q341 PolarHBondContact O-N 3.2Å; Q339-T342 PolarHBondContact NE2-OG1 2.87Å; Q339-T342 PolarHBondContact O-N 3.41Å; Q339-T342 PolarHBondContact O-OG1 3.41Å; Q339-L355 HydrophobicContact CB-CD1 4.39Å; Q339-L355 HydrophobicContact CB-CD2 4.47Å; Q339-L355 VanDerWaalsContact OE1-CD1 3.3Å
340	I	96.6	Very high	96.1	Very high	53 Å²	53	63.8 Å²	63.8	27%	0.272	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22.2	177.5	59.1	170.4	0	0	0	112.8	E336 L337 V338 I377 Y379	E336-I340 PolarHBondContact O-N 2.94Å; L337-I340 WeakPolarHBondContact O-CG1 3.29Å; V338-I340 VanDerWaalsContact C-N 3.32Å; V338-I340 PolarHBondContact O-N 3.33Å; I340-I377 VanDerWaalsContact CD1-C 3.49Å; I340-I377 VanDerWaalsContact CD1-O 3.25Å; I340-I377 WeakPolarHBondContact CD1-O 3.43Å; I340-Y379 VanDerWaalsContact O-CB 3.3Å; I340-Y379 WeakPolarHBondContact O-CB 3.45Å
341	Q	98.2	Very high	96.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-88.9	-5.9	-177.9	-57.1	-57.5	-35.2	0	0	113.6	V338 Q339 A343 D344 A351 Y393 V397 L401	V338-Q341 PolarHBondContact O-N 2.82Å; Q339-Q341 PolarHBondContact O-N 3.2Å; Q341-A343 PolarHBondContact O-N 3.09Å; Q341-D344 PolarHBondContact O-N 2.89Å; Q341-A351 HydrophobicContact CB-CB 4.28Å; Q341-Y393 PolarHBondContact NE2-OH 2.91Å; Q341-Y393 PolarHBondContact OE1-OH 2.77Å; Q341-V397 HydrophobicContact CG-CG1 4.14Å; Q341-L401 HydrophobicContact CB-CD1 4.49Å
342	T	98.1	Very high	97	Very high	40 Å²	40	51 Å²	51	25%	0.245	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-67.6	-18.3	-179.2	63.6	0	0	0	0	113.4	Q339 D344 G348 A351 L355	Q339-T342 PolarHBondContact NE2-OG1 2.87Å; Q339-T342 PolarHBondContact O-N 3.41Å; Q339-T342 PolarHBondContact O-OG1 3.41Å; T342-D344 VanDerWaalsContact C-N 3.32Å; T342-D344 PolarHBondContact O-N 3.32Å; T342-G348 VanDerWaalsContact O-CA 3.32Å; T342-G348 WeakPolarHBondContact O-CA 3.45Å; T342-A351 HydrophobicContact CG2-CB 3.98Å; T342-L355 HydrophobicContact CG2-CD1 3.68Å
343	A	95.8	Very high	97.3	Very high	68 Å²	68	54.2 Å²	54.2	56%	0.562	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-76.4	-12.9	179.3	0	0	0	0	0	114.2	Q341 Y379	Q341-A343 PolarHBondContact O-N 3.09Å; A343-Y379 HydrophobicContact CB-CD1 4.2Å; A343-Y379 HydrophobicContact CB-CE1 3.9Å
344	D	97.6	Very high	97.5	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.053	27%	0.269	C	S	.	.			trans	-78.9	132.9	-177.4	-163.5	-76.4	0	0	0	112.3	Q341 T342 Q346 W347 G348 Y379	Q341-D344 PolarHBondContact O-N 2.89Å; T342-D344 VanDerWaalsContact C-N 3.32Å; T342-D344 PolarHBondContact O-N 3.32Å; D344-Q346 PolarHBondContact O-N 3.14Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.28Å; D344-Q346 VanDerWaalsContact OD1-CB 3.3Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.45Å; D344-Q346 PolarHBondContact OD1-N 2.8Å; D344-W347 HydrophobicContact CB-CD2 4.14Å; D344-W347 HydrophobicContact CB-CG 4.21Å; D344-W347 HydrophobicContact CB-CZ2 4.03Å; D344-W347 VanDerWaalsContact CG-CE2 3.43Å; D344-W347 WeakPolarHBondContact OD2-CZ2 3.39Å; D344-G348 WeakPolarHBondContact O-CA 3.4Å; D344-G348 PolarHBondContact O-N 3.4Å; D344-Y379 HydrophobicContact CB-CE2 3.67Å; D344-Y379 WeakPolarHBondContact OD2-CE2 3.45Å
345	S	95.7	Very high	97.6	Very high	108 Å²	108	50.7 Å²	50.7	76%	0.755	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.3	178.9	59.9	0	0	0	0	115.7
346	Q	96.3	Very high	97.6	Very high	107 Å²	107	54 Å²	54	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-28	-173	-55.7	-172.9	9	0	0	113.7	D344	D344-Q346 PolarHBondContact O-N 3.14Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.28Å; D344-Q346 VanDerWaalsContact OD1-CB 3.3Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.45Å; D344-Q346 PolarHBondContact OD1-N 2.8Å
347	W	97.9	Very high	97.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.015	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-1	-177.3	55.5	68.7	0	0	0	113.7	D344 D349 F350 A351 Y393 D394 V397 R398 L401 V439	D344-W347 HydrophobicContact CB-CD2 4.14Å; D344-W347 HydrophobicContact CB-CG 4.21Å; D344-W347 HydrophobicContact CB-CZ2 4.03Å; D344-W347 VanDerWaalsContact CG-CE2 3.43Å; D344-W347 WeakPolarHBondContact OD2-CZ2 3.39Å; W347-D349 VanDerWaalsContact C-N 3.33Å; W347-D349 PolarHBondContact O-N 3.35Å; W347-F350 WeakPolarHBondContact O-CA 3.34Å; W347-F350 VanDerWaalsContact O-CB 3.31Å; W347-F350 WeakPolarHBondContact O-CB 3.39Å; W347-F350 PolarHBondContact O-N 2.88Å; W347-A351 PolarHBondContact O-N 2.89Å; W347-Y393 HydrophobicContact CZ2-CE1 4.43Å; W347-D394 HydrophobicContact CH2-CB 4.18Å; W347-D394 WeakPolarHBondContact CH2-OD1 3.43Å; W347-D394 HydrophobicContact CZ3-CB 4.13Å; W347-V397 HydrophobicContact CD2-CG1 4.11Å; W347-V397 VanDerWaalsContact CE2-CG1 3.48Å; W347-V397 HydrophobicContact CG-CG1 4.5Å; W347-V397 HydrophobicContact CH2-CB 4.47Å; W347-V397 HydrophobicContact CH2-CG1 4.44Å; W347-V397 HydrophobicContact CZ2-CB 4.09Å; W347-V397 HydrophobicContact CZ2-CG1 3.69Å; W347-V397 HydrophobicContact CZ2-CG2 4.31Å; W347-R398 HydrophobicContact CE3-CG 3.95Å; W347-R398 HydrophobicContact CZ3-CG 4.27Å; W347-L401 HydrophobicContact CB-CD1 4Å; W347-L401 HydrophobicContact CG-CD1 3.85Å; W347-V439 HydrophobicContact CB-CG2 3.82Å
348	G	97.9	Very high	97.4	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-57.6	-43.9	-177.8	0	0	0	0	0	112.9	T342 D344 F350 A351 Q352	T342-G348 VanDerWaalsContact O-CA 3.32Å; T342-G348 WeakPolarHBondContact O-CA 3.45Å; D344-G348 WeakPolarHBondContact O-CA 3.4Å; D344-G348 PolarHBondContact O-N 3.4Å; G348-F350 PolarHBondContact O-N 2.98Å; G348-A351 WeakPolarHBondContact O-CB 3.29Å; G348-A351 PolarHBondContact O-N 3.43Å; G348-A351 VanDerWaalsContact O-N 3.15Å; G348-Q352 PolarHBondContact O-N 3.25Å
349	D	98.2	Very high	97.3	Very high	131 Å²	131	53.5 Å²	53.5	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-60.1	-34.3	174.2	-65.8	-16.4	0	0	0	112.4	W347 R353	W347-D349 VanDerWaalsContact C-N 3.33Å; W347-D349 PolarHBondContact O-N 3.35Å; D349-R353 WeakPolarHBondContact O-CG 3.39Å; D349-R353 PolarHBondContact O-N 3.28Å; D349-R353 PolarHBondContact O-NH1 3.22Å
350	F	98.6	Very high	97.2	Very high	11 Å²	11	53.9 Å²	53.9	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-71.5	-44.4	175.9	-175.5	-81.8	0	0	0	111.1	W347 G348 Q352 R353 V354 L401 S405 N435 D438 V439	W347-F350 WeakPolarHBondContact O-CA 3.34Å; W347-F350 VanDerWaalsContact O-CB 3.31Å; W347-F350 WeakPolarHBondContact O-CB 3.39Å; W347-F350 PolarHBondContact O-N 2.88Å; G348-F350 PolarHBondContact O-N 2.98Å; F350-Q352 VanDerWaalsContact C-N 3.26Å; F350-Q352 PolarHBondContact O-N 3.15Å; F350-R353 PolarHBondContact O-N 3.01Å; F350-R353 VanDerWaalsContact O-N 3.17Å; F350-V354 HydrophobicContact CD1-CG2 3.89Å; F350-V354 HydrophobicContact CE1-CG2 3.52Å; F350-V354 HydrophobicContact CZ-CG2 4.31Å; F350-V354 PolarHBondContact O-N 3.04Å; F350-L401 HydrophobicContact CD1-CB 4.22Å; F350-L401 HydrophobicContact CE1-CB 4.17Å; F350-S405 VanDerWaalsContact CZ-OG 3.25Å; F350-S405 WeakPolarHBondContact CZ-OG 3.16Å; F350-N435 WeakPolarHBondContact CE2-O 3.41Å; F350-D438 HydrophobicContact CD2-CB 4.02Å; F350-D438 HydrophobicContact CE2-CB 4.03Å; F350-V439 HydrophobicContact CB-CB 4.4Å; F350-V439 HydrophobicContact CB-CG2 4.47Å; F350-V439 HydrophobicContact CD1-CB 3.67Å; F350-V439 HydrophobicContact CD1-CG1 3.86Å; F350-V439 HydrophobicContact CD1-CG2 3.98Å; F350-V439 HydrophobicContact CD2-CB 3.81Å; F350-V439 HydrophobicContact CD2-CG1 4.35Å; F350-V439 HydrophobicContact CE1-CB 3.79Å; F350-V439 HydrophobicContact CE1-CG1 3.44Å; F350-V439 VanDerWaalsContact CE1-CG1 3.44Å; F350-V439 HydrophobicContact CE1-CG2 4.42Å; F350-V439 HydrophobicContact CE2-CB 3.93Å; F350-V439 HydrophobicContact CE2-CG1 4Å; F350-V439 HydrophobicContact CG-CB 3.69Å; F350-V439 HydrophobicContact CG-CG1 4.3Å; F350-V439 HydrophobicContact CG-CG2 4.15Å; F350-V439 HydrophobicContact CZ-CB 3.91Å; F350-V439 HydrophobicContact CZ-CG1 3.52Å
351	A	98.6	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-40.3	175.4	0	0	0	0	0	111.1	V338 Q341 T342 W347 G348 R353 V354 L355 L401	V338-A351 HydrophobicContact CG1-CB 3.99Å; V338-A351 WeakPolarHBondContact CG1-O 3.23Å; Q341-A351 HydrophobicContact CB-CB 4.28Å; T342-A351 HydrophobicContact CG2-CB 3.98Å; W347-A351 PolarHBondContact O-N 2.89Å; G348-A351 WeakPolarHBondContact O-CB 3.29Å; G348-A351 PolarHBondContact O-N 3.43Å; G348-A351 VanDerWaalsContact O-N 3.15Å; A351-R353 PolarHBondContact O-N 2.86Å; A351-V354 WeakPolarHBondContact O-CB 3.46Å; A351-V354 PolarHBondContact O-N 3.37Å; A351-V354 VanDerWaalsContact O-N 3.15Å; A351-L355 WeakPolarHBondContact O-CG 3.49Å; A351-L355 PolarHBondContact O-N 3.36Å; A351-L401 HydrophobicContact CB-CD1 4.32Å; A351-L401 HydrophobicContact CB-CD2 4.01Å
352	Q	98.4	Very high	97.2	Very high	81 Å²	81	56.5 Å²	56.5	38%	0.379	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-44.4	175.2	-170.8	61.3	36.6	0	0	112.3	G348 F350 V354 L355 E356	G348-Q352 PolarHBondContact O-N 3.25Å; F350-Q352 VanDerWaalsContact C-N 3.26Å; F350-Q352 PolarHBondContact O-N 3.15Å; Q352-V354 VanDerWaalsContact C-N 3.3Å; Q352-V354 PolarHBondContact O-N 2.79Å; Q352-L355 WeakPolarHBondContact O-CB 3.45Å; Q352-L355 PolarHBondContact O-N 3.32Å; Q352-L355 VanDerWaalsContact O-N 3.14Å; Q352-E356 WeakPolarHBondContact O-CG 3.46Å; Q352-E356 PolarHBondContact O-N 3.14Å
353	R	97.7	Very high	97.1	Very high	110 Å²	110	58 Å²	58	42%	0.415	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-32.7	174.9	-68.5	-169	-56.8	-86	13.7	113.3	D349 F350 A351 S357	D349-R353 WeakPolarHBondContact O-CG 3.39Å; D349-R353 PolarHBondContact O-N 3.28Å; D349-R353 PolarHBondContact O-NH1 3.22Å; F350-R353 PolarHBondContact O-N 3.01Å; F350-R353 VanDerWaalsContact O-N 3.17Å; A351-R353 PolarHBondContact O-N 2.86Å; R353-S357 PolarHBondContact O-N 3.35Å; R353-S357 PolarHBondContact O-OG 2.83Å; R353-S357 VanDerWaalsContact O-OG 3.04Å
354	V	98.1	Very high	97.2	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-41.8	172.8	172.7	0	0	0	0	110.3	V338 F350 A351 Q352 E356 S357 G358 P359 V404	V338-V354 HydrophobicContact CG1-CB 4.08Å; V338-V354 HydrophobicContact CG1-CG1 4Å; V338-V354 HydrophobicContact CG2-CG1 4.09Å; F350-V354 HydrophobicContact CD1-CG2 3.89Å; F350-V354 HydrophobicContact CE1-CG2 3.52Å; F350-V354 HydrophobicContact CZ-CG2 4.31Å; F350-V354 PolarHBondContact O-N 3.04Å; A351-V354 WeakPolarHBondContact O-CB 3.46Å; A351-V354 PolarHBondContact O-N 3.37Å; A351-V354 VanDerWaalsContact O-N 3.15Å; Q352-V354 VanDerWaalsContact C-N 3.3Å; Q352-V354 PolarHBondContact O-N 2.79Å; V354-E356 PolarHBondContact O-N 2.89Å; V354-S357 PolarHBondContact O-N 3.42Å; V354-S357 PolarHBondContact O-OG 3.16Å; V354-G358 CarbonylContact O-C 3.58Å; V354-G358 WeakPolarHBondContact O-CA 3.43Å; V354-G358 PolarHBondContact O-N 2.94Å; V354-P359 HydrophobicContact CG1-CB 4.18Å; V354-V404 HydrophobicContact CG1-CG2 3.85Å
355	L	98.2	Very high	97.1	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-41.6	176.5	-65.3	170.8	0	0	0	112.3	V335 V338 Q339 T342 A351 Q352 S357 G358	V335-L355 HydrophobicContact CG1-CD2 3.98Å; V338-L355 HydrophobicContact CB-CD2 3.83Å; V338-L355 HydrophobicContact CB-CG 4.4Å; V338-L355 HydrophobicContact CG1-CD1 4.47Å; V338-L355 HydrophobicContact CG1-CD2 3.68Å; V338-L355 HydrophobicContact CG1-CG 3.7Å; Q339-L355 HydrophobicContact CB-CD1 4.39Å; Q339-L355 HydrophobicContact CB-CD2 4.47Å; Q339-L355 VanDerWaalsContact OE1-CD1 3.3Å; T342-L355 HydrophobicContact CG2-CD1 3.68Å; A351-L355 WeakPolarHBondContact O-CG 3.49Å; A351-L355 PolarHBondContact O-N 3.36Å; Q352-L355 WeakPolarHBondContact O-CB 3.45Å; Q352-L355 PolarHBondContact O-N 3.32Å; Q352-L355 VanDerWaalsContact O-N 3.14Å; L355-S357 PolarHBondContact O-N 3.48Å; L355-G358 PolarHBondContact O-N 2.83Å
356	E	97.2	Very high	97	Very high	145 Å²	145	64 Å²	64	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-59.7	-32.5	177.7	-71.3	165.2	-170.4	0	0	112.9	Q352 V354	Q352-E356 WeakPolarHBondContact O-CG 3.46Å; Q352-E356 PolarHBondContact O-N 3.14Å; V354-E356 PolarHBondContact O-N 2.89Å
357	S	94	Very high	96.8	Very high	66 Å²	66	62.2 Å²	62.2	46%	0.462	32%	0.317	S	S	.	.	H	α-helix	trans	-99.8	-8	179.7	53.4	0	0	0	0	114.6	R353 V354 L355	R353-S357 PolarHBondContact O-N 3.35Å; R353-S357 PolarHBondContact O-OG 2.83Å; R353-S357 VanDerWaalsContact O-OG 3.04Å; V354-S357 PolarHBondContact O-N 3.42Å; V354-S357 PolarHBondContact O-OG 3.16Å; L355-S357 PolarHBondContact O-N 3.48Å
358	G	95.6	Very high	96.2	Very high	32 Å²	32	64.5 Å²	64.5	33%	0.33	33%	0.33	S	S	.	.			trans	79	132.1	-172.4	0	0	0	0	0	112.9	V354 L355 N360	V354-G358 CarbonylContact O-C 3.58Å; V354-G358 WeakPolarHBondContact O-CA 3.43Å; V354-G358 PolarHBondContact O-N 2.94Å; L355-G358 PolarHBondContact O-N 2.83Å; G358-N360 PolarHBondContact O-N 3.31Å
359	P	97.5	Very high	95.5	Very high	26 Å²	26	71.9 Å²	71.9	17%	0.169	36%	0.364	C	S	.	.			trans	-64.6	124.8	176.2	25.8	-32.4	0	0	0	111.2	L334 V335 V338 V354 V404	L334-P359 HydrophobicContact CB-CB 3.97Å; L334-P359 HydrophobicContact CB-CG 3.78Å; V335-P359 HydrophobicContact CG2-CG 3.84Å; V338-P359 HydrophobicContact CG2-CB 4.17Å; V354-P359 HydrophobicContact CG1-CB 4.18Å; P359-V404 HydrophobicContact CB-CB 3.85Å; P359-V404 HydrophobicContact CB-CG1 4.31Å; P359-V404 HydrophobicContact CB-CG2 4.28Å
360	N	95.7	Very high	94.7	Very high	103 Å²	103	68 Å²	68	55%	0.551	35%	0.349	S	S	*	.			trans	-129.3	85.3	-177.6	-175	8.8	0	0	0	111	R281 G358 V404	R281-N360 PolarHBondContact NE-O 3.35Å; R281-N360 PolarHBondContact NH2-O 3.12Å; G358-N360 PolarHBondContact O-N 3.31Å; N360-V404 PolarHBondContact N-O 3.45Å
361	P	97.2	Very high	94.4	Very high	21 Å²	21	68 Å²	68	14%	0.136	35%	0.349	C	S	.	.			trans	-64.7	142.2	-176.5	29	-36.2	0	0	0	112.2	F328 L334 N363 C403 V404	F328-P361 HydrophobicContact CD2-CB 3.74Å; F328-P361 HydrophobicContact CD2-CG 4.26Å; F328-P361 HydrophobicContact CE2-CB 4.3Å; L334-P361 HydrophobicContact CD1-CB 4.42Å; L334-P361 HydrophobicContact CD1-CG 3.65Å; P361-N363 PolarHBondContact O-N 3.47Å; P361-C403 WeakPolarHBondContact CA-O 3.26Å; P361-V404 HydrophobicContact CB-CG1 4.25Å
362	R	96.5	Very high	94.2	Very high	86 Å²	86	68.8 Å²	68.8	33%	0.325	36%	0.355	S	S	.	.			trans	-84.7	77.3	168.2	-173.3	-167	168.4	-158.2	-6.9	109.9	L280 R281 L283 P284 C403	L280-R362 VanDerWaalsContact CB-NH1 3.27Å; L280-R362 VanDerWaalsContact CD1-NH2 3.35Å; R281-R362 HydrophobicContact CG-CB 3.89Å; R281-R362 WeakPolarHBondContact O-CD 3.27Å; R281-R362 PolarHBondContact O-NH1 3.11Å; L283-R362 HydrophobicContact CD2-CG 3.89Å; L283-R362 WeakPolarHBondContact CD2-O 3.39Å; P284-R362 WeakPolarHBondContact CD-O 3.43Å; R362-C403 PolarHBondContact N-O 3.34Å
363	N	97.6	Very high	94.2	Very high	73 Å²	73	65 Å²	65	39%	0.39	34%	0.337	S	S	.	.			trans	-61.5	140.2	-177.6	-70.9	-36.4	0	0	0	112.9	C327 F328 P361	C327-N363 WeakPolarHBondContact CA-OD1 3.43Å; C327-N363 HydrophobicContact CB-CB 3.85Å; F328-N363 PolarHBondContact N-OD1 3.47Å; P361-N363 PolarHBondContact O-N 3.47Å
364	G	97.3	Very high	94.2	Very high	22 Å²	22	59.9 Å²	59.9	23%	0.227	32%	0.318	C	S	.	.			trans	-85.8	-153.3	169.6	0	0	0	0	0	112.4	N326	N326-G364 PolarHBondContact O-N 2.87Å; N326-G364 VanDerWaalsContact OD1-C 3.25Å; N326-G364 WeakPolarHBondContact OD1-CA 3.23Å
365	K	95.9	Very high	94.2	Very high	210 Å²	210	59.9 Å²	59.9	91%	0.913	32%	0.318	S	S	*	.	S	Bend	trans	-117.1	-11.4	-174.6	-61.7	-176.1	-179.1	-178.3	0	114.2	N326	N326-K365 PolarHBondContact OD1-N 3.06Å
366	K	93.1	Very high	94.2	Very high	78 Å²	78	58.4 Å²	58.4	34%	0.339	31%	0.31	S	S	.	.			trans	-92.6	135.1	-175.2	-57.8	-174.8	-167.7	169.1	0	110.2	E286 E324 T325 N326 C327 E486	E286-K366 IonicContact OE1-NZ 3.6Å; E286-K366 PolarHBondContact OE1-NZ 3.4Å; E286-K366 WeakPolarHBondContact OE2-CD 3.25Å; E286-K366 IonicContact OE2-NZ 3.17Å; E324-K366 WeakPolarHBondContact O-CB 3.1Å; T325-K366 WeakPolarHBondContact CA-O 3.03Å; N326-K366 PolarHBondContact N-O 3.5Å; N326-K366 WeakPolarHBondContact ND2-CG 3.46Å; N326-K366 PolarHBondContact OD1-N 3.17Å; N326-K366 PolarHBondContact OD1-O 3.23Å; C327-K366 PolarHBondContact SG-O 2.92Å; C327-K366 VanDerWaalsContact SG-O 3.41Å; K366-E486 IonicContact NZ-OE1 2.89Å; K366-E486 PolarHBondContact NZ-OE1 3Å
367	N	91.5	Very high	94.1	Very high	70 Å²	70	52.7 Å²	52.7	37%	0.374	28%	0.284	S	S	.	.			trans	-149.9	117.1	176.1	-175	-7	0	0	0	109.2	T325 Q369	T325-N367 HydrophobicContact CG2-CB 4.48Å; N367-Q369 PolarHBondContact ND2-NE2 3.08Å; N367-Q369 PolarHBondContact ND2-OE1 2.91Å; N367-Q369 PolarHBondContact O-N 3.22Å; N367-Q369 WeakPolarHBondContact OD1-CA 3.48Å; N367-Q369 PolarHBondContact OD1-N 3.4Å
368	D	86.2	Confident	94.1	Very high	52 Å²	52	54.1 Å²	54.1	28%	0.278	28%	0.279	S	S	.	.			trans	-79.1	-4.9	177.6	61.1	24.9	0	0	0	113.5	T323 E324 T325 A370 H371	T323-D368 WeakPolarHBondContact CA-OD2 3.42Å; T323-D368 WeakPolarHBondContact CB-OD2 3.34Å; T323-D368 PolarHBondContact OG1-OD2 3.19Å; E324-D368 PolarHBondContact N-OD2 3.07Å; T325-D368 PolarHBondContact OG1-N 3.34Å; T325-D368 PolarHBondContact OG1-OD1 2.77Å; T325-D368 PolarHBondContact OG1-OD2 3.31Å; D368-A370 PolarHBondContact O-N 2.98Å; D368-A370 VanDerWaalsContact O-N 3.11Å; D368-A370 PolarHBondContact OD1-N 3.44Å; D368-H371 PolarHBondContact OD1-N 2.95Å
369	Q	82.1	Confident	94.1	Very high	159 Å²	159	55 Å²	55	74%	0.743	27%	0.273	S	S	*	.	S	Bend	trans	60.7	9.8	-177	-51	-63.2	-22.2	0	0	114.5	N367	N367-Q369 PolarHBondContact ND2-NE2 3.08Å; N367-Q369 PolarHBondContact ND2-OE1 2.91Å; N367-Q369 PolarHBondContact O-N 3.22Å; N367-Q369 WeakPolarHBondContact OD1-CA 3.48Å; N367-Q369 PolarHBondContact OD1-N 3.4Å
370	A	82.8	Confident	94	Very high	48 Å²	48	54 Å²	54	40%	0.397	27%	0.267	S	S	.	.	S	Bend	trans	-113.5	-43.8	-179.6	0	0	0	0	0	111.2	S148 D368	S148-A370 PolarHBondContact OG-O 3.22Å; D368-A370 PolarHBondContact O-N 2.98Å; D368-A370 VanDerWaalsContact O-N 3.11Å; D368-A370 PolarHBondContact OD1-N 3.44Å
371	H	90.6	Very high	93.9	Very high	11 Å²	11	49.9 Å²	49.9	5%	0.051	25%	0.247	C	C	.	.			trans	-130.5	144.2	-167.9	-64.9	-52.2	0	0	0	112.8	C118 S148 Y320 T325 D368	C118-H371 PolarHBondContact O-NE2 3.41Å; S148-H371 PolarHBondContact OG-ND1 3.34Å; Y320-H371 AromaticContact CD1-CD2 3.56Å; Y320-H371 AromaticContact CD1-CE1 3.5Å; Y320-H371 VanDerWaalsContact CD1-CE1 3.5Å; Y320-H371 WeakPolarHBondContact CD1-CE1 3.36Å; Y320-H371 AromaticContact CD1-CG 3.96Å; Y320-H371 AromaticContact CD1-ND1 3.95Å; Y320-H371 AromaticContact CD1-NE2 3.22Å; Y320-H371 WeakPolarHBondContact CD1-NE2 3.48Å; Y320-H371 AromaticContact CE1-NE2 3.53Å; Y320-H371 AromaticContact CG-CE1 4Å; T325-H371 WeakPolarHBondContact CB-O 3.28Å; T325-H371 WeakPolarHBondContact CG2-O 3.14Å; T325-H371 PolarHBondContact OG1-O 2.95Å; D368-H371 PolarHBondContact OD1-N 2.95Å
372	P	94.7	Very high	93.3	Very high	18 Å²	18	52 Å²	52	12%	0.117	26%	0.261	C	S	.	.			trans	-73.2	167.5	166	35.5	-36.2	0	0	0	110.6	S148 I332	S148-P372 VanDerWaalsContact CB-CD 3.47Å; S148-P372 WeakPolarHBondContact OG-CD 3.24Å; I332-P372 HydrophobicContact CD1-CB 3.49Å; I332-P372 VanDerWaalsContact CD1-CB 3.49Å; I332-P372 HydrophobicContact CD1-CG 4.47Å
373	P	97.9	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.			trans	-54.2	159	169.6	-22.4	33.1	0	0	0	112	P284 L285 S319 T325 C327 F328 H375	P284-P373 HydrophobicContact CB-CB 3.48Å; P284-P373 VanDerWaalsContact CB-CB 3.48Å; P284-P373 HydrophobicContact CB-CG 3.43Å; P284-P373 VanDerWaalsContact CB-CG 3.43Å; P284-P373 HydrophobicContact CG-CG 4.36Å; L285-P373 CarbonylContact O-C 3.54Å; S319-P373 PolarHBondContact OG-O 3.3Å; T325-P373 HydrophobicContact CG2-CG 4.1Å; T325-P373 WeakPolarHBondContact O-CA 3.45Å; C327-P373 VanDerWaalsContact O-CD 3.26Å; C327-P373 WeakPolarHBondContact O-CD 3.47Å; C327-P373 WeakPolarHBondContact O-CG 3.49Å; F328-P373 HydrophobicContact CD1-CG 4.04Å; F328-P373 HydrophobicContact CD2-CG 4.36Å; F328-P373 HydrophobicContact CE1-CB 4.1Å; F328-P373 HydrophobicContact CE1-CG 4.05Å; F328-P373 HydrophobicContact CE2-CG 4.38Å; F328-P373 HydrophobicContact CG-CG 4.2Å; F328-P373 HydrophobicContact CZ-CB 4.06Å; F328-P373 HydrophobicContact CZ-CG 4.22Å; P373-H375 PolarHBondContact O-N 3.18Å; P373-H375 PolarHBondContact O-ND1 3.48Å
374	I	98.4	Very high	92.8	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-68.9	114.5	177.4	-51.9	175.7	0	0	0	109.3	L285 M290 I318 S319 P321 T323 I396	L285-I374 HydrophobicContact CB-CB 4.23Å; L285-I374 HydrophobicContact CD2-CB 4.17Å; L285-I374 HydrophobicContact CD2-CG2 4.3Å; L285-I374 HydrophobicContact CG-CB 4.24Å; L285-I374 PolarHBondContact O-N 2.8Å; M290-I374 HydrophobicContact CB-CD1 4.22Å; M290-I374 HydrophobicContact CE-CD1 3.74Å; M290-I374 HydrophobicContact SD-CD1 3.77Å; M290-I374 HydrophobicContact SD-CG2 4.29Å; I318-I374 HydrophobicContact CD1-CG2 4.32Å; S319-I374 WeakPolarHBondContact OG-CA 3.23Å; P321-I374 HydrophobicContact CB-CD1 4.43Å; P321-I374 WeakPolarHBondContact O-CD1 3.44Å; T323-I374 HydrophobicContact CG2-CD1 4.36Å; T323-I374 HydrophobicContact CG2-CG1 3.69Å; I374-I396 HydrophobicContact CG2-CD1 4.16Å; I374-I396 HydrophobicContact CG2-CG1 4.43Å; I374-I396 HydrophobicContact CG2-CG2 4.2Å
375	H	98.2	Very high	92.7	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.014	27%	0.267	C	S	.	.			trans	-146.8	157.7	-175.9	66.5	-88.3	0	0	0	112.1	I318 S319 F328 L337 P373 F400	I318-H375 CarbonylContact C-O 3.52Å; I318-H375 VanDerWaalsContact CA-O 3.27Å; I318-H375 WeakPolarHBondContact CA-O 3.2Å; S319-H375 PolarHBondContact N-O 2.76Å; S319-H375 PolarHBondContact OG-N 3.01Å; S319-H375 PolarHBondContact OG-ND1 3.42Å; F328-H375 HydrophobicContact CE1-CB 4.05Å; F328-H375 AromaticContact CE1-CG 3.95Å; F328-H375 AromaticContact CE1-ND1 3.76Å; F328-H375 HydrophobicContact CZ-CB 4.14Å; L337-H375 VanDerWaalsContact CD1-CD2 3.46Å; L337-H375 WeakPolarHBondContact CD1-CD2 2.95Å; P373-H375 PolarHBondContact O-N 3.18Å; P373-H375 PolarHBondContact O-ND1 3.48Å; H375-F400 HydrophobicContact CB-CD2 3.89Å; H375-F400 HydrophobicContact CB-CE2 4.39Å; H375-F400 HydrophobicContact CB-CG 4.44Å
376	P	97.9	Very high	92.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-74.9	135.4	176.9	32.6	-35.9	0	0	0	111.1	Y317 Y393 V397 F400	Y317-P376 WeakPolarHBondContact O-CA 3.49Å; P376-Y393 HydrophobicContact CB-CE2 4.41Å; P376-V397 HydrophobicContact CB-CG2 3.75Å; P376-V397 HydrophobicContact CG-CB 4.49Å; P376-V397 HydrophobicContact CG-CG2 4Å; P376-F400 HydrophobicContact CG-CB 4.18Å; P376-F400 HydrophobicContact CG-CD1 3.77Å; P376-F400 HydrophobicContact CG-CE1 4.45Å; P376-F400 HydrophobicContact CG-CG 4.06Å
377	I	95.5	Very high	92.9	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.128	24%	0.236	C	C	.	.			trans	-113.6	-21	179.1	-49.7	164.8	0	0	0	112.2	E149 T151 Y317 I318 S319 I340	E149-I377 HydrophobicContact CB-CD1 3.33Å; E149-I377 HydrophobicContact CG-CD1 4.15Å; E149-I377 WeakPolarHBondContact OE2-CD1 3.43Å; T151-I377 HydrophobicContact CG2-CB 4.45Å; T151-I377 HydrophobicContact CG2-CD1 4.42Å; T151-I377 HydrophobicContact CG2-CG2 3.37Å; Y317-I377 PolarHBondContact O-N 3.47Å; I318-I377 VanDerWaalsContact C-CD1 3.42Å; S319-I377 VanDerWaalsContact CA-CD1 3.46Å; I340-I377 VanDerWaalsContact CD1-C 3.49Å; I340-I377 VanDerWaalsContact CD1-O 3.25Å; I340-I377 WeakPolarHBondContact CD1-O 3.43Å
378	R	93.9	Very high	93.2	Very high	96 Å²	96	43.1 Å²	43.1	36%	0.362	23%	0.23	S	C	.	.	S	Bend	trans	-135.6	136.4	175.2	-178	169.1	67.2	110.5	-9.3	109.7	Q315 G316 Y317 A380 E384 Y393	Q315-R378 PolarHBondContact O-NH2 3.5Å; G316-R378 VanDerWaalsContact O-CB 3.23Å; G316-R378 WeakPolarHBondContact O-CB 3.36Å; Y317-R378 HydrophobicContact CD1-CB 4.34Å; Y317-R378 HydrophobicContact CD1-CG 4.47Å; Y317-R378 VanDerWaalsContact CE2-NH2 3.35Å; Y317-R378 PolarHBondContact O-N 2.78Å; Y317-R378 PolarHBondContact OH-NH2 3.32Å; Y317-R378 VanDerWaalsContact OH-NH2 3.1Å; R378-A380 PolarHBondContact O-N 3.41Å; R378-E384 IonicContact CZ-OE2 2.64Å; R378-E384 IonicContact NH1-OE2 2.75Å; R378-E384 PolarHBondContact NH1-OE2 3.2Å; R378-E384 VanDerWaalsContact NH1-OE2 3.09Å; R378-Y393 PolarHBondContact O-OH 2.98Å; R378-Y393 VanDerWaalsContact O-OH 3.05Å
379	Y	96.8	Very high	93.7	Very high	51 Å²	51	41 Å²	41	20%	0.2	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-67.7	127	168.9	171.9	-117.2	0	0	0	110.7	I340 A343 D344 A381 Y393	I340-Y379 VanDerWaalsContact O-CB 3.3Å; I340-Y379 WeakPolarHBondContact O-CB 3.45Å; A343-Y379 HydrophobicContact CB-CD1 4.2Å; A343-Y379 HydrophobicContact CB-CE1 3.9Å; D344-Y379 HydrophobicContact CB-CE2 3.67Å; D344-Y379 WeakPolarHBondContact OD2-CE2 3.45Å; Y379-A381 HydrophobicContact CE1-CB 4.42Å; Y379-Y393 WeakPolarHBondContact CA-OH 3.5Å
380	A	95.4	Very high	94.4	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.041	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-95.8	117.6	170.5	0	0	0	0	0	110.2	Y317 R378 L385 Y393	Y317-A380 HydrophobicContact CD1-CB 3.65Å; Y317-A380 HydrophobicContact CE1-CB 3.39Å; R378-A380 PolarHBondContact O-N 3.41Å; A380-L385 HydrophobicContact CB-CD1 3.46Å; A380-L385 VanDerWaalsContact CB-CD1 3.46Å; A380-L385 HydrophobicContact CB-CG 3.84Å; A380-Y393 HydrophobicContact CB-CD1 4.21Å; A380-Y393 HydrophobicContact CB-CE1 3.74Å; A380-Y393 HydrophobicContact CB-CE2 4.25Å; A380-Y393 PolarHBondContact N-OH 2.85Å
381	A	92.1	Very high	95.2	Very high	16 Å²	16	37.9 Å²	37.9	13%	0.132	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.1	152	173.1	0	0	0	0	0	110.8	Y379 Q383 E384	Y379-A381 HydrophobicContact CE1-CB 4.42Å; A381-Q383 PolarHBondContact O-N 3.01Å; A381-E384 HydrophobicContact CB-CG 4.27Å; A381-E384 VanDerWaalsContact CB-OE1 3.31Å; A381-E384 WeakPolarHBondContact CB-OE1 3.43Å; A381-E384 PolarHBondContact N-OE1 3.38Å; A381-E384 WeakPolarHBondContact O-CB 3.38Å; A381-E384 PolarHBondContact O-N 3.41Å
382	P	84.9	Confident	95.6	Very high	66 Å²	66	37.3 Å²	37.3	43%	0.429	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.7	-172.4	-30	36.2	0	0	0	116
383	Q	89.8	Confident	95.7	Very high	140 Å²	140	36.6 Å²	36.6	65%	0.654	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.4	178.4	65.6	-84	9.3	0	0	114.9	A381	A381-Q383 PolarHBondContact O-N 3.01Å
384	E	94	Very high	95.8	Very high	84 Å²	84	37.7 Å²	37.7	39%	0.393	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-36.3	-177.5	-71.1	-179.7	-108.4	0	0	112	Y317 R378 A381	Y317-E384 PolarHBondContact OH-OE2 2.92Å; R378-E384 IonicContact CZ-OE2 2.64Å; R378-E384 IonicContact NH1-OE2 2.75Å; R378-E384 PolarHBondContact NH1-OE2 3.2Å; R378-E384 VanDerWaalsContact NH1-OE2 3.09Å; A381-E384 HydrophobicContact CB-CG 4.27Å; A381-E384 VanDerWaalsContact CB-OE1 3.31Å; A381-E384 WeakPolarHBondContact CB-OE1 3.43Å; A381-E384 PolarHBondContact N-OE1 3.38Å; A381-E384 WeakPolarHBondContact O-CB 3.38Å; A381-E384 PolarHBondContact O-N 3.41Å
385	L	95.9	Very high	95.8	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.188	C	C	.	.			trans	-121.2	144.4	-176.3	-57.6	179.9	0	0	0	111.4	L312 Y317 A380 L389 K390 Y393	L312-L385 HydrophobicContact CD2-CD1 3.75Å; L312-L385 HydrophobicContact CD2-CD2 4.07Å; Y317-L385 HydrophobicContact CD2-CD1 4.49Å; Y317-L385 HydrophobicContact CD2-CD2 4.19Å; Y317-L385 HydrophobicContact CE2-CD2 3.71Å; Y317-L385 HydrophobicContact CE2-CG 4.4Å; A380-L385 HydrophobicContact CB-CD1 3.46Å; A380-L385 VanDerWaalsContact CB-CD1 3.46Å; A380-L385 HydrophobicContact CB-CG 3.84Å; L385-L389 HydrophobicContact CD2-CD2 3.71Å; L385-L389 HydrophobicContact CD2-CG 4.07Å; L385-K390 HydrophobicContact CB-CB 4.02Å; L385-K390 HydrophobicContact CB-CG 4.29Å; L385-Y393 HydrophobicContact CD1-CD1 3.82Å; L385-Y393 HydrophobicContact CD1-CD2 3.98Å; L385-Y393 HydrophobicContact CD1-CG 3.52Å
386	I	95	Very high	95.8	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.205	19%	0.187	C	C	.	.			trans	-148.3	165.3	-173.9	51.5	171.1	0	0	0	111.6	L389 K390 S861 S862	I386-L389 WeakPolarHBondContact O-CB 3.41Å; I386-L389 PolarHBondContact O-N 2.88Å; I386-K390 PolarHBondContact O-N 2.86Å; I386-S861 VanDerWaalsContact CD1-CA 3.44Å; I386-S862 WeakPolarHBondContact CD1-O 3.29Å; I386-S862 WeakPolarHBondContact CD1-OG 3.4Å
387	G	96.6	Very high	95.8	Very high	39 Å²	39	37.4 Å²	37.4	40%	0.402	19%	0.187	S	C	.	.	H	α-helix	trans	58.8	-143.6	176.7	0	0	0	0	0	112.3	L389 K390 R391	G387-L389 VanDerWaalsContact C-N 3.27Å; G387-L389 PolarHBondContact O-N 3.39Å; G387-K390 PolarHBondContact O-N 3.06Å; G387-R391 WeakPolarHBondContact O-CG 3.5Å; G387-R391 PolarHBondContact O-N 3.36Å
388	N	97.8	Very high	96	Very high	45 Å²	45	37.7 Å²	37.7	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-67.1	-28.3	178.9	-74	-13.7	0	0	0	112.7	I300 E304 L308 K390 R391 V392	I300-N388 HydrophobicContact CD1-CB 3.96Å; E304-N388 PolarHBondContact OE1-ND2 3.05Å; L308-N388 HydrophobicContact CD1-CB 3.57Å; N388-K390 VanDerWaalsContact C-N 3.33Å; N388-K390 PolarHBondContact O-N 3.48Å; N388-R391 PolarHBondContact O-N 3.3Å; N388-R391 VanDerWaalsContact O-N 3.11Å; N388-R391 WeakPolarHBondContact OD1-CD 3.43Å; N388-R391 PolarHBondContact OD1-NH1 2.89Å; N388-V392 WeakPolarHBondContact O-CG2 2.95Å; N388-V392 PolarHBondContact O-N 3.32Å
389	L	97.5	Very high	96.2	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-44	174.9	-167.2	67.5	0	0	0	111.5	L308 K311 L312 L385 I386 G387 Y393	L308-L389 HydrophobicContact CB-CD1 4.22Å; L308-L389 HydrophobicContact CD2-CB 4.14Å; L308-L389 HydrophobicContact CD2-CD1 3.87Å; L308-L389 WeakPolarHBondContact O-CD1 3.49Å; K311-L389 HydrophobicContact CB-CD1 4.19Å; K311-L389 HydrophobicContact CD-CD1 4.11Å; K311-L389 HydrophobicContact CD-CD2 4.24Å; K311-L389 HydrophobicContact CG-CD1 4.21Å; L312-L389 HydrophobicContact CD1-CD1 4.42Å; L312-L389 HydrophobicContact CD2-CD1 3.77Å; L312-L389 HydrophobicContact CD2-CG 3.88Å; L312-L389 HydrophobicContact CG-CD1 3.68Å; L312-L389 HydrophobicContact CG-CG 4.33Å; L385-L389 HydrophobicContact CD2-CD2 3.71Å; L385-L389 HydrophobicContact CD2-CG 4.07Å; I386-L389 WeakPolarHBondContact O-CB 3.41Å; I386-L389 PolarHBondContact O-N 2.88Å; G387-L389 VanDerWaalsContact C-N 3.27Å; G387-L389 PolarHBondContact O-N 3.39Å; L389-Y393 PolarHBondContact O-N 3.33Å; L389-Y393 VanDerWaalsContact O-N 3.14Å
390	K	97.6	Very high	96.3	Very high	43 Å²	43	31.1 Å²	31.1	19%	0.187	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-45	172.6	-168.9	-172	-174	-48.8	0	111.7	L385 I386 G387 N388 V392 Y393 D394	L385-K390 HydrophobicContact CB-CB 4.02Å; L385-K390 HydrophobicContact CB-CG 4.29Å; I386-K390 PolarHBondContact O-N 2.86Å; G387-K390 PolarHBondContact O-N 3.06Å; N388-K390 VanDerWaalsContact C-N 3.33Å; N388-K390 PolarHBondContact O-N 3.48Å; K390-V392 VanDerWaalsContact C-N 3.32Å; K390-V392 PolarHBondContact O-N 2.84Å; K390-Y393 PolarHBondContact O-N 3.12Å; K390-D394 IonicContact NZ-OD1 2.73Å; K390-D394 PolarHBondContact NZ-OD1 3.37Å; K390-D394 IonicContact NZ-OD2 2.62Å; K390-D394 PolarHBondContact NZ-OD2 3.49Å; K390-D394 WeakPolarHBondContact O-CB 3.15Å; K390-D394 PolarHBondContact O-N 2.93Å
391	R	98.2	Very high	96.5	Very high	98 Å²	98	30.9 Å²	30.9	37%	0.37	16%	0.16	S	C	.	.	H	α-helix	trans	-62.1	-39.8	-176.5	-66.3	171.5	68.1	-149.8	0.1	112.1	L298 I300 G387 N388 F395	L298-R391 HydrophobicContact CD1-CB 4.3Å; L298-R391 PolarHBondContact O-NH2 3.12Å; I300-R391 HydrophobicContact CD1-CB 4.48Å; G387-R391 WeakPolarHBondContact O-CG 3.5Å; G387-R391 PolarHBondContact O-N 3.36Å; N388-R391 PolarHBondContact O-N 3.3Å; N388-R391 VanDerWaalsContact O-N 3.11Å; N388-R391 WeakPolarHBondContact OD1-CD 3.43Å; N388-R391 PolarHBondContact OD1-NH1 2.89Å; R391-F395 WeakPolarHBondContact O-CB 3.45Å; R391-F395 PolarHBondContact O-N 3.45Å; R391-F395 VanDerWaalsContact O-N 3.08Å
392	V	98.6	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-46.2	175.1	172.4	0	0	0	0	110.7	I294 I300 L308 L312 N388 K390 F395 I396	I294-V392 HydrophobicContact CD1-CG1 4.01Å; I294-V392 HydrophobicContact CD1-CG2 4.34Å; I300-V392 HydrophobicContact CD1-CG2 4.05Å; L308-V392 HydrophobicContact CB-CG2 4.23Å; L308-V392 HydrophobicContact CD1-CG2 3.82Å; L312-V392 HydrophobicContact CD1-CB 4.38Å; L312-V392 HydrophobicContact CD1-CG1 3.94Å; N388-V392 WeakPolarHBondContact O-CG2 2.95Å; N388-V392 PolarHBondContact O-N 3.32Å; K390-V392 VanDerWaalsContact C-N 3.32Å; K390-V392 PolarHBondContact O-N 2.84Å; V392-F395 WeakPolarHBondContact O-CB 3.25Å; V392-F395 PolarHBondContact O-N 3.18Å; V392-I396 HydrophobicContact CG1-CD1 3.94Å; V392-I396 WeakPolarHBondContact O-CG1 3.46Å; V392-I396 PolarHBondContact O-N 3.17Å
393	Y	98.6	Very high	97.4	Very high	3 Å²	3	27 Å²	27	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175.3	174.7	-95.5	0	0	0	112.4	L312 Y317 I318 Q341 W347 P376 R378 Y379 A380 L385 L389 K390 F395 I396 V397	L312-Y393 HydrophobicContact CD2-CD2 4.38Å; Y317-Y393 HydrophobicContact CD1-CE2 4.39Å; I318-Y393 HydrophobicContact CG2-CD2 4.22Å; Q341-Y393 PolarHBondContact NE2-OH 2.91Å; Q341-Y393 PolarHBondContact OE1-OH 2.77Å; W347-Y393 HydrophobicContact CZ2-CE1 4.43Å; P376-Y393 HydrophobicContact CB-CE2 4.41Å; R378-Y393 PolarHBondContact O-OH 2.98Å; R378-Y393 VanDerWaalsContact O-OH 3.05Å; Y379-Y393 WeakPolarHBondContact CA-OH 3.5Å; A380-Y393 HydrophobicContact CB-CD1 4.21Å; A380-Y393 HydrophobicContact CB-CE1 3.74Å; A380-Y393 HydrophobicContact CB-CE2 4.25Å; A380-Y393 PolarHBondContact N-OH 2.85Å; L385-Y393 HydrophobicContact CD1-CD1 3.82Å; L385-Y393 HydrophobicContact CD1-CD2 3.98Å; L385-Y393 HydrophobicContact CD1-CG 3.52Å; L389-Y393 PolarHBondContact O-N 3.33Å; L389-Y393 VanDerWaalsContact O-N 3.14Å; K390-Y393 PolarHBondContact O-N 3.12Å; Y393-F395 PolarHBondContact O-N 2.88Å; Y393-I396 PolarHBondContact O-N 3.18Å; Y393-I396 VanDerWaalsContact O-N 3.12Å; Y393-V397 HydrophobicContact CD1-CG2 4.09Å; Y393-V397 HydrophobicContact CD2-CG2 4.33Å; Y393-V397 HydrophobicContact CE1-CG2 3.56Å; Y393-V397 HydrophobicContact CE2-CG2 3.84Å; Y393-V397 HydrophobicContact CG-CG2 4.44Å; Y393-V397 VanDerWaalsContact CZ-CG2 3.4Å; Y393-V397 WeakPolarHBondContact O-CG2 3.33Å; Y393-V397 PolarHBondContact O-N 3.39Å
394	D	98.2	Very high	97.8	Very high	22 Å²	22	20.4 Å²	20.4	12%	0.118	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-40.5	177.3	-70.7	1.7	0	0	0	111.1	W347 K390 R398	W347-D394 HydrophobicContact CH2-CB 4.18Å; W347-D394 WeakPolarHBondContact CH2-OD1 3.43Å; W347-D394 HydrophobicContact CZ3-CB 4.13Å; K390-D394 IonicContact NZ-OD1 2.73Å; K390-D394 PolarHBondContact NZ-OD1 3.37Å; K390-D394 IonicContact NZ-OD2 2.62Å; K390-D394 PolarHBondContact NZ-OD2 3.49Å; K390-D394 WeakPolarHBondContact O-CB 3.15Å; K390-D394 PolarHBondContact O-N 2.93Å; D394-R398 VanDerWaalsContact O-CB 3.3Å; D394-R398 WeakPolarHBondContact O-CB 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.11Å; D394-R398 PolarHBondContact O-N 3.49Å
395	F	98.7	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-48.6	176	173.9	-85	0	0	0	111.7	L285 L293 I294 L298 R391 V392 Y393 V397 R398 H399 Y440 Y442	L285-F395 HydrophobicContact CD1-CE1 4.31Å; L285-F395 HydrophobicContact CD2-CE1 4.11Å; L293-F395 HydrophobicContact CB-CE1 4.42Å; L293-F395 HydrophobicContact CB-CE2 3.97Å; L293-F395 HydrophobicContact CB-CZ 3.46Å; L293-F395 VanDerWaalsContact CB-CZ 3.46Å; L293-F395 HydrophobicContact CD1-CZ 3.85Å; L293-F395 HydrophobicContact CG-CZ 4.31Å; I294-F395 HydrophobicContact CD1-CD1 3.77Å; I294-F395 HydrophobicContact CD1-CE1 4.17Å; I294-F395 HydrophobicContact CD1-CG 4.34Å; I294-F395 HydrophobicContact CG1-CD1 3.66Å; I294-F395 HydrophobicContact CG1-CD2 4.37Å; I294-F395 HydrophobicContact CG1-CE1 3.83Å; I294-F395 HydrophobicContact CG1-CG 3.97Å; I294-F395 HydrophobicContact CG1-CZ 4.26Å; L298-F395 HydrophobicContact CD1-CB 3.98Å; L298-F395 HydrophobicContact CD1-CG 4.42Å; R391-F395 WeakPolarHBondContact O-CB 3.45Å; R391-F395 PolarHBondContact O-N 3.45Å; R391-F395 VanDerWaalsContact O-N 3.08Å; V392-F395 WeakPolarHBondContact O-CB 3.25Å; V392-F395 PolarHBondContact O-N 3.18Å; Y393-F395 PolarHBondContact O-N 2.88Å; F395-V397 VanDerWaalsContact C-N 3.35Å; F395-V397 PolarHBondContact O-N 3.29Å; F395-R398 PolarHBondContact O-N 3.05Å; F395-H399 HydrophobicContact CE1-CB 4.43Å; F395-H399 VanDerWaalsContact O-CB 3.26Å; F395-H399 WeakPolarHBondContact O-CB 3.48Å; F395-H399 PolarHBondContact O-N 3.16Å; F395-Y440 VanDerWaalsContact CE2-OH 3.3Å; F395-Y440 WeakPolarHBondContact CE2-OH 3.36Å; F395-Y440 WeakPolarHBondContact CZ-OH 3.37Å; F395-Y442 WeakPolarHBondContact CA-OH 3.27Å; F395-Y442 HydrophobicContact CD2-CD1 4.23Å; F395-Y442 AromaticContact CD2-CD2 3.96Å; F395-Y442 HydrophobicContact CD2-CD2 3.96Å; F395-Y442 AromaticContact CD2-CE1 3.98Å; F395-Y442 HydrophobicContact CD2-CE1 3.98Å; F395-Y442 AromaticContact CD2-CE2 3.66Å; F395-Y442 HydrophobicContact CD2-CE2 3.66Å; F395-Y442 HydrophobicContact CD2-CG 4.2Å; F395-Y442 AromaticContact CD2-CZ 3.67Å; F395-Y442 HydrophobicContact CE2-CD2 4.09Å; F395-Y442 HydrophobicContact CE2-CE2 4.25Å; F395-Y442 HydrophobicContact CE2-CG 4.23Å; F395-Y442 HydrophobicContact CG-CE2 4.44Å
396	I	98.8	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.6	-44.8	179.5	-67.3	166.2	0	0	0	110.4	L285 M290 L312 I318 I374 V392 Y393 H399 F400	L285-I396 HydrophobicContact CD2-CG1 4.08Å; M290-I396 HydrophobicContact SD-CD1 4.23Å; L312-I396 HydrophobicContact CD1-CD1 4.42Å; I318-I396 HydrophobicContact CD1-CD1 3.71Å; I318-I396 HydrophobicContact CG2-CD1 4.08Å; I318-I396 HydrophobicContact CG2-CG2 4.06Å; I374-I396 HydrophobicContact CG2-CD1 4.16Å; I374-I396 HydrophobicContact CG2-CG1 4.43Å; I374-I396 HydrophobicContact CG2-CG2 4.2Å; V392-I396 HydrophobicContact CG1-CD1 3.94Å; V392-I396 WeakPolarHBondContact O-CG1 3.46Å; V392-I396 PolarHBondContact O-N 3.17Å; Y393-I396 PolarHBondContact O-N 3.18Å; Y393-I396 VanDerWaalsContact O-N 3.12Å; I396-H399 PolarHBondContact O-N 3.37Å; I396-F400 WeakPolarHBondContact O-CB 3.27Å; I396-F400 PolarHBondContact O-N 2.98Å
397	V	98.7	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-49.3	177.4	175.9	0	0	0	0	111.6	Q341 W347 P376 Y393 F395 H399 F400 L401	Q341-V397 HydrophobicContact CG-CG1 4.14Å; W347-V397 HydrophobicContact CD2-CG1 4.11Å; W347-V397 VanDerWaalsContact CE2-CG1 3.48Å; W347-V397 HydrophobicContact CG-CG1 4.5Å; W347-V397 HydrophobicContact CH2-CB 4.47Å; W347-V397 HydrophobicContact CH2-CG1 4.44Å; W347-V397 HydrophobicContact CZ2-CB 4.09Å; W347-V397 HydrophobicContact CZ2-CG1 3.69Å; W347-V397 HydrophobicContact CZ2-CG2 4.31Å; P376-V397 HydrophobicContact CB-CG2 3.75Å; P376-V397 HydrophobicContact CG-CB 4.49Å; P376-V397 HydrophobicContact CG-CG2 4Å; Y393-V397 HydrophobicContact CD1-CG2 4.09Å; Y393-V397 HydrophobicContact CD2-CG2 4.33Å; Y393-V397 HydrophobicContact CE1-CG2 3.56Å; Y393-V397 HydrophobicContact CE2-CG2 3.84Å; Y393-V397 HydrophobicContact CG-CG2 4.44Å; Y393-V397 VanDerWaalsContact CZ-CG2 3.4Å; Y393-V397 WeakPolarHBondContact O-CG2 3.33Å; Y393-V397 PolarHBondContact O-N 3.39Å; F395-V397 VanDerWaalsContact C-N 3.35Å; F395-V397 PolarHBondContact O-N 3.29Å; V397-H399 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 3.41Å; V397-F400 PolarHBondContact O-N 3.27Å; V397-L401 HydrophobicContact CG1-CD1 4Å; V397-L401 HydrophobicContact CG1-CG 4.36Å; V397-L401 WeakPolarHBondContact O-CG 3.27Å; V397-L401 PolarHBondContact O-N 2.89Å
398	R	98.8	Very high	98.3	Very high	32 Å²	32	20 Å²	20	12%	0.121	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-37.6	-179.9	-72.4	172.5	176.7	-77.3	-1.3	111.7	W347 D394 F395 A402 V439 Y440 Y442	W347-R398 HydrophobicContact CE3-CG 3.95Å; W347-R398 HydrophobicContact CZ3-CG 4.27Å; D394-R398 VanDerWaalsContact O-CB 3.3Å; D394-R398 WeakPolarHBondContact O-CB 3.24Å; D394-R398 WeakPolarHBondContact O-CG 3.11Å; D394-R398 PolarHBondContact O-N 3.49Å; F395-R398 PolarHBondContact O-N 3.05Å; R398-A402 WeakPolarHBondContact O-CB 3.26Å; R398-A402 PolarHBondContact O-N 3.39Å; R398-V439 HydrophobicContact CB-CG2 4.47Å; R398-V439 HydrophobicContact CG-CG2 4.19Å; R398-V439 WeakPolarHBondContact CG-O 3.37Å; R398-V439 PolarHBondContact NH1-O 3.45Å; R398-Y440 HydrophobicContact CB-CD2 4.26Å; R398-Y442 HydrophobicContact CB-CE2 4.01Å; R398-Y442 WeakPolarHBondContact CD-OH 3.31Å
399	H	98.8	Very high	98.4	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-45.3	175.7	-165.7	102.4	0	0	0	111.4	P282 L283 F395 I396 V397 A402 C403 Y440	P282-H399 VanDerWaalsContact CB-CE1 3.5Å; P282-H399 WeakPolarHBondContact CB-CE1 3.32Å; L283-H399 PolarHBondContact O-NE2 3.48Å; F395-H399 HydrophobicContact CE1-CB 4.43Å; F395-H399 VanDerWaalsContact O-CB 3.26Å; F395-H399 WeakPolarHBondContact O-CB 3.48Å; F395-H399 PolarHBondContact O-N 3.16Å; I396-H399 PolarHBondContact O-N 3.37Å; V397-H399 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 3.41Å; H399-A402 PolarHBondContact O-N 3.19Å; H399-C403 WeakPolarHBondContact O-CB 3.5Å; H399-C403 PolarHBondContact O-N 3.4Å; H399-Y440 VanDerWaalsContact CA-CE2 3.42Å; H399-Y440 HydrophobicContact CB-CE2 3.67Å; H399-Y440 AromaticContact CG-CE2 3.95Å; H399-Y440 AromaticContact ND1-CE2 3.65Å; H399-Y440 AromaticContact ND1-CZ 3.45Å; H399-Y440 PolarHBondContact ND1-OH 3.2Å
400	F	98.8	Very high	98.3	Very high	5 Å²	5	22 Å²	22	2%	0.022	10%	0.098	C	C	.	.	H	α-helix	trans	-57.4	-54.1	174.5	168.7	-106.5	0	0	0	111.7	F328 L334 L337 V338 H375 P376 I396 V397 A402 C403 V404	F328-F400 HydrophobicContact CE1-CE2 4.47Å; F328-F400 AromaticContact CZ-CD2 3.89Å; F328-F400 HydrophobicContact CZ-CD2 3.89Å; F328-F400 AromaticContact CZ-CE2 4Å; F328-F400 HydrophobicContact CZ-CE2 4Å; L334-F400 HydrophobicContact CD2-CE2 4.14Å; L337-F400 HydrophobicContact CB-CE1 4.1Å; L337-F400 HydrophobicContact CB-CZ 3.66Å; L337-F400 HydrophobicContact CD1-CZ 4.44Å; V338-F400 HydrophobicContact CG2-CE1 3.78Å; V338-F400 HydrophobicContact CG2-CZ 3.95Å; H375-F400 HydrophobicContact CB-CD2 3.89Å; H375-F400 HydrophobicContact CB-CE2 4.39Å; H375-F400 HydrophobicContact CB-CG 4.44Å; P376-F400 HydrophobicContact CG-CB 4.18Å; P376-F400 HydrophobicContact CG-CD1 3.77Å; P376-F400 HydrophobicContact CG-CE1 4.45Å; P376-F400 HydrophobicContact CG-CG 4.06Å; I396-F400 WeakPolarHBondContact O-CB 3.27Å; I396-F400 PolarHBondContact O-N 2.98Å; V397-F400 PolarHBondContact O-N 3.27Å; F400-A402 VanDerWaalsContact C-N 3.28Å; F400-A402 PolarHBondContact O-N 3.3Å; F400-C403 WeakPolarHBondContact O-CB 3.26Å; F400-C403 PolarHBondContact O-N 3.09Å; F400-C403 VanDerWaalsContact O-N 3.11Å; F400-V404 HydrophobicContact CD2-CG1 4.35Å; F400-V404 HydrophobicContact CE2-CG1 3.89Å; F400-V404 HydrophobicContact CZ-CG1 4.23Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 3.33Å; F400-V404 VanDerWaalsContact O-N 3.08Å
401	L	98.7	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-37.5	179.8	-69.1	178	0	0	0	112.1	V338 Q341 W347 F350 A351 V397 S405 V439	V338-L401 HydrophobicContact CG1-CD2 4.19Å; V338-L401 HydrophobicContact CG2-CD2 4.31Å; Q341-L401 HydrophobicContact CB-CD1 4.49Å; W347-L401 HydrophobicContact CB-CD1 4Å; W347-L401 HydrophobicContact CG-CD1 3.85Å; F350-L401 HydrophobicContact CD1-CB 4.22Å; F350-L401 HydrophobicContact CE1-CB 4.17Å; A351-L401 HydrophobicContact CB-CD1 4.32Å; A351-L401 HydrophobicContact CB-CD2 4.01Å; V397-L401 HydrophobicContact CG1-CD1 4Å; V397-L401 HydrophobicContact CG1-CG 4.36Å; V397-L401 WeakPolarHBondContact O-CG 3.27Å; V397-L401 PolarHBondContact O-N 2.89Å; L401-S405 WeakPolarHBondContact O-CB 3.48Å; L401-S405 PolarHBondContact O-N 3.35Å; L401-V439 HydrophobicContact CB-CG1 4.16Å; L401-V439 HydrophobicContact CB-CG2 4.08Å; L401-V439 HydrophobicContact CD1-CG2 4.03Å
402	A	98.6	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-45.7	174.1	0	0	0	0	0	112.2	P282 R398 H399 F400 V404 S405 Y436 V439 Y440	P282-A402 HydrophobicContact CG-CB 3.77Å; R398-A402 WeakPolarHBondContact O-CB 3.26Å; R398-A402 PolarHBondContact O-N 3.39Å; H399-A402 PolarHBondContact O-N 3.19Å; F400-A402 VanDerWaalsContact C-N 3.28Å; F400-A402 PolarHBondContact O-N 3.3Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 3.19Å; A402-S405 WeakPolarHBondContact O-CB 3.39Å; A402-S405 PolarHBondContact O-N 3.11Å; A402-Y436 HydrophobicContact CB-CD2 4.06Å; A402-V439 HydrophobicContact CB-CG1 3.94Å; A402-Y440 HydrophobicContact CB-CD2 3.82Å; A402-Y440 HydrophobicContact CB-CG 3.92Å
403	C	98.5	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.1	-41.6	179.6	165.9	0	0	0	0	112.2	R281 P282 P361 R362 H399 F400 S405	R281-C403 VanDerWaalsContact CD-O 3.25Å; R281-C403 WeakPolarHBondContact CD-O 3.4Å; R281-C403 PolarHBondContact NE-O 3.26Å; P282-C403 HydrophobicContact CG-CB 4.43Å; P361-C403 WeakPolarHBondContact CA-O 3.26Å; R362-C403 PolarHBondContact N-O 3.34Å; H399-C403 WeakPolarHBondContact O-CB 3.5Å; H399-C403 PolarHBondContact O-N 3.4Å; F400-C403 WeakPolarHBondContact O-CB 3.26Å; F400-C403 PolarHBondContact O-N 3.09Å; F400-C403 VanDerWaalsContact O-N 3.11Å; C403-S405 VanDerWaalsContact C-N 3.32Å
404	V	98.3	Very high	97.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.4	-179.8	-59.6	0	0	0	0	114.3	L334 V338 V354 P359 N360 P361 F400 A402	L334-V404 HydrophobicContact CD1-CG1 4.49Å; V338-V404 HydrophobicContact CG2-CG2 3.88Å; V354-V404 HydrophobicContact CG1-CG2 3.85Å; P359-V404 HydrophobicContact CB-CB 3.85Å; P359-V404 HydrophobicContact CB-CG1 4.31Å; P359-V404 HydrophobicContact CB-CG2 4.28Å; N360-V404 PolarHBondContact N-O 3.45Å; P361-V404 HydrophobicContact CB-CG1 4.25Å; F400-V404 HydrophobicContact CD2-CG1 4.35Å; F400-V404 HydrophobicContact CE2-CG1 3.89Å; F400-V404 HydrophobicContact CZ-CG1 4.23Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 3.33Å; F400-V404 VanDerWaalsContact O-N 3.08Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 3.19Å
405	S	98	Very high	97.1	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.091	11%	0.109	C	C	.	.	S	Bend	trans	-89.1	-163.8	179.1	-166.9	0	0	0	0	112.5	R281 F350 L401 A402 C403	R281-S405 WeakPolarHBondContact CD-O 3.48Å; R281-S405 PolarHBondContact NE-O 3.33Å; F350-S405 VanDerWaalsContact CZ-OG 3.25Å; F350-S405 WeakPolarHBondContact CZ-OG 3.16Å; L401-S405 WeakPolarHBondContact O-CB 3.48Å; L401-S405 PolarHBondContact O-N 3.35Å; A402-S405 WeakPolarHBondContact O-CB 3.39Å; A402-S405 PolarHBondContact O-N 3.11Å; C403-S405 VanDerWaalsContact C-N 3.32Å
406	K	98	Very high	96.8	Very high	112 Å²	112	22.8 Å²	22.8	49%	0.487	11%	0.111	S	C	.	.	P	Polyproline II helix	trans	-91.6	154.1	173	-61.9	179.1	-177.6	179.7	0	110.8	N435 Y436	K406-N435 HydrophobicContact CB-CB 3.98Å; K406-N435 WeakPolarHBondContact O-CB 3.36Å; K406-Y436 PolarHBondContact O-N 2.94Å
407	N	98.2	Very high	96.5	Very high	35 Å²	35	22.9 Å²	22.9	19%	0.187	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-63.9	153.2	170	-64.8	-27.5	0	0	0	110.6	T278 K279 L280 R281 N435	T278-N407 HydrophobicContact CG2-CB 3.33Å; K279-N407 WeakPolarHBondContact O-CB 3.36Å; L280-N407 WeakPolarHBondContact CD2-ND2 3.1Å; R281-N407 WeakPolarHBondContact CG-OD1 3.39Å; R281-N407 PolarHBondContact N-OD1 3.25Å; R281-N407 PolarHBondContact NH1-OD1 2.85Å; N407-N435 VanDerWaalsContact O-CB 3.29Å; N407-N435 WeakPolarHBondContact O-CB 3.4Å; N407-N435 PolarHBondContact O-ND2 3.03Å
408	A	98	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.4	170.8	0	0	0	0	0	110.1	T278 K279 A433 R434 Y436 L437 W445	T278-A408 CarbonylContact C-O 3.6Å; T278-A408 VanDerWaalsContact CA-O 3.31Å; T278-A408 WeakPolarHBondContact CA-O 3.33Å; T278-A408 WeakPolarHBondContact CG2-O 3.26Å; K279-A408 HydrophobicContact CB-CB 4.08Å; K279-A408 PolarHBondContact N-O 3.28Å; K279-A408 PolarHBondContact O-N 2.73Å; A408-A433 CarbonylContact C-O 3.59Å; A408-A433 WeakPolarHBondContact CA-O 3.31Å; A408-R434 VanDerWaalsContact CB-O 3.3Å; A408-R434 WeakPolarHBondContact CB-O 3.32Å; A408-Y436 HydrophobicContact CB-CD1 4.16Å; A408-Y436 HydrophobicContact CB-CE1 3.82Å; A408-L437 HydrophobicContact CB-CD1 3.55Å; A408-L437 HydrophobicContact CB-CG 4.01Å; A408-W445 HydrophobicContact CB-CE3 3.66Å; A408-W445 HydrophobicContact CB-CZ3 3.56Å
409	E	98.1	Very high	96	Very high	91 Å²	91	22.9 Å²	22.9	43%	0.425	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.7	-176.3	-63.3	174	-167.7	0	0	110.2	I432 A433 W445	E409-I432 PolarHBondContact O-N 3.02Å; E409-A433 HydrophobicContact CB-CB 4.21Å; E409-A433 PolarHBondContact N-O 2.98Å; E409-A433 PolarHBondContact O-N 2.87Å; E409-W445 VanDerWaalsContact C-CZ3 3.49Å; E409-W445 WeakPolarHBondContact O-CZ3 3.26Å
410	G	95.6	Very high	95.6	Very high	2 Å²	2	26 Å²	26	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	171.3	-177.3	0	0	0	0	0	111.4	T277 R430	T277-G410 PolarHBondContact N-O 3.3Å; T277-G410 PolarHBondContact O-N 2.89Å; T277-G410 VanDerWaalsContact O-O 3.05Å; G410-R430 CarbonylContact C-O 3.52Å; G410-R430 WeakPolarHBondContact CA-O 3.44Å
411	F	93.9	Very high	95.1	Very high	63 Å²	63	28.2 Å²	28.2	28%	0.276	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.7	175.1	-160.6	-94.8	0	0	0	108.4	P276 R430 I432	P276-F411 HydrophobicContact CG-CD2 4.46Å; P276-F411 HydrophobicContact CG-CE2 4.35Å; F411-R430 PolarHBondContact N-O 2.93Å; F411-R430 PolarHBondContact O-N 2.97Å; F411-I432 HydrophobicContact CB-CD1 4.09Å; F411-I432 HydrophobicContact CB-CG1 4.49Å
412	Q	94.3	Very high	94.6	Very high	52 Å²	52	31.4 Å²	31.4	24%	0.243	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.1	176.5	-175.9	177.4	-4.6	0	0	109	K275 T277 S427 G428 L429	K275-Q412 HydrophobicContact CG-CB 4.3Å; K275-Q412 PolarHBondContact N-O 2.73Å; K275-Q412 PolarHBondContact O-N 3.45Å; T277-Q412 HydrophobicContact CG2-CB 3.94Å; Q412-S427 PolarHBondContact NE2-OG 2.97Å; Q412-G428 CarbonylContact C-O 3.54Å; Q412-G428 VanDerWaalsContact CA-O 3.29Å; Q412-G428 WeakPolarHBondContact CA-O 3.41Å; Q412-L429 HydrophobicContact CB-CD1 4.49Å
413	T	92.6	Very high	94.3	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.221	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.4	173.1	-53.3	0	0	0	0	108.2	V272 V273 V415 S427 G428 I450	V272-T413 HydrophobicContact CG1-CG2 4.03Å; V273-T413 CarbonylContact O-C 3.57Å; V273-T413 WeakPolarHBondContact O-CA 3.3Å; T413-V415 HydrophobicContact CG2-CG2 4.4Å; T413-S427 CarbonylContact O-C 3.58Å; T413-S427 VanDerWaalsContact O-CA 3.3Å; T413-S427 WeakPolarHBondContact O-CA 2.91Å; T413-G428 PolarHBondContact N-O 3.05Å; T413-G428 PolarHBondContact O-N 2.63Å; T413-I450 HydrophobicContact CG2-CD1 3.95Å
414	T	92.5	Very high	93.9	Very high	26 Å²	26	35.5 Å²	35.5	16%	0.16	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	173.7	-55.8	0	0	0	0	109.3	V273 A426 S427	V273-T414 PolarHBondContact N-O 2.89Å; V273-T414 PolarHBondContact O-N 3.03Å; T414-A426 CarbonylContact C-O 3.57Å; T414-A426 VanDerWaalsContact CA-O 3.25Å; T414-A426 WeakPolarHBondContact CA-O 3.25Å; T414-S427 PolarHBondContact OG1-OG 3.46Å
415	V	92.3	Very high	93.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.1	178.4	179.9	0	0	0	0	107.7	V269 D271 V272 T413 I417 R425 A426 I450 Y453	V269-V415 HydrophobicContact CG1-CG1 4.08Å; D271-V415 WeakPolarHBondContact O-CA 3.35Å; V272-V415 HydrophobicContact CG1-CG2 4.22Å; V272-V415 HydrophobicContact CG2-CG1 4.39Å; V272-V415 HydrophobicContact CG2-CG2 4.35Å; T413-V415 HydrophobicContact CG2-CG2 4.4Å; V415-I417 HydrophobicContact CG1-CG2 4.03Å; V415-R425 WeakPolarHBondContact O-CA 3.39Å; V415-A426 PolarHBondContact N-O 2.93Å; V415-A426 PolarHBondContact O-N 2.9Å; V415-I450 HydrophobicContact CG2-CD1 3.69Å; V415-Y453 HydrophobicContact CB-CD2 4.45Å; V415-Y453 HydrophobicContact CG1-CD2 4.13Å; V415-Y453 HydrophobicContact CG1-CG 4.13Å; V415-Y453 HydrophobicContact CG2-CD2 3.78Å; V415-Y453 HydrophobicContact CG2-CG 4.38Å
416	A	93.7	Very high	93.1	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.3	170.8	0	0	0	0	0	109.1	K270 D271 I423 F424 R425	K270-A416 PolarHBondContact N-O 3.23Å; D271-A416 HydrophobicContact CB-CB 4.19Å; D271-A416 PolarHBondContact N-O 3.27Å; D271-A416 PolarHBondContact O-N 2.92Å; A416-I423 HydrophobicContact CB-CG2 4.29Å; A416-F424 WeakPolarHBondContact CA-O 3.41Å; A416-R425 HydrophobicContact CB-CG 4.23Å
417	I	93.1	Very high	92.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.6	175.7	64.5	172.3	0	0	0	109.9	I242 A267 K268 V269 V415 V419 I423 F424 F459	I242-I417 HydrophobicContact CD1-CD1 3.6Å; I242-I417 HydrophobicContact CD1-CG1 4.43Å; I242-I417 HydrophobicContact CG1-CD1 4.07Å; A267-I417 HydrophobicContact CB-CB 4.19Å; A267-I417 HydrophobicContact CB-CD1 3.81Å; A267-I417 HydrophobicContact CB-CG1 4.45Å; K268-I417 CarbonylContact O-C 3.49Å; K268-I417 WeakPolarHBondContact O-CA 3.14Å; V269-I417 HydrophobicContact CG2-CG2 4.13Å; V415-I417 HydrophobicContact CG1-CG2 4.03Å; I417-V419 HydrophobicContact CD1-CG2 4.15Å; I417-V419 HydrophobicContact CG1-CG2 4.39Å; I417-I423 WeakPolarHBondContact O-CA 3.27Å; I417-F424 HydrophobicContact CD1-CB 4.13Å; I417-F424 HydrophobicContact CG1-CB 3.71Å; I417-F424 PolarHBondContact N-O 3.27Å; I417-F424 PolarHBondContact O-N 3.43Å; I417-F459 HydrophobicContact CD1-CZ 4.2Å; I417-F459 HydrophobicContact CG2-CE1 4.15Å; I417-F459 HydrophobicContact CG2-CZ 3.96Å
418	D	93.1	Very high	92.4	Very high	33 Å²	33	38.4 Å²	38.4	18%	0.176	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	172.8	-173.4	-29.5	0	0	0	108.5	A267 K268 K270 G421 E422 I423	A267-D418 CarbonylContact C-O 3.49Å; A267-D418 WeakPolarHBondContact CA-O 3.46Å; K268-D418 PolarHBondContact N-O 3.18Å; K268-D418 PolarHBondContact O-N 2.85Å; K270-D418 HydrophobicContact CD-CB 4.47Å; K270-D418 WeakPolarHBondContact CE-OD2 3.46Å; K270-D418 HydrophobicContact CG-CB 3.7Å; K270-D418 IonicContact NZ-OD2 3.78Å; K270-D418 PolarHBondContact NZ-OD2 3.49Å; D418-G421 WeakPolarHBondContact OD1-CA 3.41Å; D418-G421 PolarHBondContact OD1-N 2.85Å; D418-E422 WeakPolarHBondContact CA-O 3.3Å; D418-I423 HydrophobicContact CB-CD1 3.89Å
419	V	92.5	Very high	92.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	99.6	174.3	-171	0	0	0	0	107.4	C260 A267 I417 G421 E422 F424 V461 V463	C260-V419 HydrophobicContact CB-CG1 4.11Å; A267-V419 HydrophobicContact CB-CG2 3.88Å; I417-V419 HydrophobicContact CD1-CG2 4.15Å; I417-V419 HydrophobicContact CG1-CG2 4.39Å; V419-G421 VanDerWaalsContact C-N 3.28Å; V419-G421 PolarHBondContact O-N 3.11Å; V419-E422 PolarHBondContact N-O 3.46Å; V419-E422 PolarHBondContact O-N 2.95Å; V419-F424 HydrophobicContact CB-CD2 4.18Å; V419-F424 HydrophobicContact CB-CE2 3.94Å; V419-F424 HydrophobicContact CG2-CD2 3.78Å; V419-F424 HydrophobicContact CG2-CE2 3.98Å; V419-V461 HydrophobicContact CG1-CG1 3.93Å; V419-V461 HydrophobicContact CG2-CG1 3.93Å; V419-V463 HydrophobicContact CG1-CG2 3.96Å
420	N	90.5	Very high	91.9	Very high	68 Å²	68	41.8 Å²	41.8	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.8	-177.7	-64.8	-15.4	0	0	0	114.2	L259 E262	L259-N420 WeakPolarHBondContact O-CB 3.38Å; L259-N420 PolarHBondContact O-ND2 3.47Å; E262-N420 PolarHBondContact O-ND2 3.44Å; E262-N420 VanDerWaalsContact O-ND2 3.15Å
421	G	88.8	Confident	91.8	Very high	52 Å²	52	43.2 Å²	43.2	54%	0.536	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-17.9	179.4	0	0	0	0	0	114.2	D418 V419	D418-G421 WeakPolarHBondContact OD1-CA 3.41Å; D418-G421 PolarHBondContact OD1-N 2.85Å; V419-G421 VanDerWaalsContact C-N 3.28Å; V419-G421 PolarHBondContact O-N 3.11Å
422	E	89	Confident	91.9	Very high	68 Å²	68	45.1 Å²	45.1	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.5	178.2	-68.1	-56.2	137	0	0	112	F256 D418 V419 F424	F256-E422 HydrophobicContact CD1-CG 4.18Å; F256-E422 WeakPolarHBondContact CD1-OE1 3.34Å; F256-E422 VanDerWaalsContact CE1-OE1 3.26Å; F256-E422 WeakPolarHBondContact CE1-OE1 3.41Å; D418-E422 WeakPolarHBondContact CA-O 3.3Å; V419-E422 PolarHBondContact N-O 3.46Å; V419-E422 PolarHBondContact O-N 2.95Å; E422-F424 HydrophobicContact CB-CE2 3.89Å
423	I	91.2	Very high	92	Very high	78 Å²	78	43.8 Å²	43.8	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.8	-176	-56.9	-60.9	0	0	0	111.2	K270 A416 I417 D418 R425	K270-I423 HydrophobicContact CG-CD1 4.19Å; A416-I423 HydrophobicContact CB-CG2 4.29Å; I417-I423 WeakPolarHBondContact O-CA 3.27Å; D418-I423 HydrophobicContact CB-CD1 3.89Å; I423-R425 HydrophobicContact CG2-CG 4.48Å
424	F	90.7	Very high	92.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.3	171.6	-61.3	-96.9	0	0	0	110.6	L239 A241 A416 I417 V419 E422 V463	L239-F424 HydrophobicContact CB-CE1 3.67Å; L239-F424 HydrophobicContact CB-CZ 3.9Å; L239-F424 HydrophobicContact CD1-CZ 4.19Å; A241-F424 HydrophobicContact CB-CB 4.41Å; A241-F424 HydrophobicContact CB-CD1 3.69Å; A241-F424 HydrophobicContact CB-CD2 4.23Å; A241-F424 HydrophobicContact CB-CE1 3.93Å; A241-F424 HydrophobicContact CB-CE2 4.46Å; A241-F424 HydrophobicContact CB-CG 3.84Å; A241-F424 HydrophobicContact CB-CZ 4.31Å; A416-F424 WeakPolarHBondContact CA-O 3.41Å; I417-F424 HydrophobicContact CD1-CB 4.13Å; I417-F424 HydrophobicContact CG1-CB 3.71Å; I417-F424 PolarHBondContact N-O 3.27Å; I417-F424 PolarHBondContact O-N 3.43Å; V419-F424 HydrophobicContact CB-CD2 4.18Å; V419-F424 HydrophobicContact CB-CE2 3.94Å; V419-F424 HydrophobicContact CG2-CD2 3.78Å; V419-F424 HydrophobicContact CG2-CE2 3.98Å; E422-F424 HydrophobicContact CB-CE2 3.89Å; F424-V463 HydrophobicContact CZ-CG1 4.05Å
425	R	91.4	Very high	92.5	Very high	151 Å²	151	48 Å²	48	57%	0.57	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.4	-180	-66.6	-178.1	-177.2	-115.2	1.4	111.7	V415 A416 I423	V415-R425 WeakPolarHBondContact O-CA 3.39Å; A416-R425 HydrophobicContact CB-CG 4.23Å; I423-R425 HydrophobicContact CG2-CG 4.48Å
426	A	88.3	Confident	92.8	Very high	10 Å²	10	47.9 Å²	47.9	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.7	174.6	0	0	0	0	0	109.4	I242 T414 V415	I242-A426 HydrophobicContact CB-CB 3.98Å; I242-A426 HydrophobicContact CD1-CB 4.29Å; I242-A426 HydrophobicContact CG2-CB 3.23Å; T414-A426 CarbonylContact C-O 3.57Å; T414-A426 VanDerWaalsContact CA-O 3.25Å; T414-A426 WeakPolarHBondContact CA-O 3.25Å; V415-A426 PolarHBondContact N-O 2.93Å; V415-A426 PolarHBondContact O-N 2.9Å
427	S	89.5	Confident	93	Very high	57 Å²	57	47.9 Å²	47.9	40%	0.399	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.3	169.9	-67.2	0	0	0	0	111.2	Q412 T413 T414	Q412-S427 PolarHBondContact NE2-OG 2.97Å; T413-S427 CarbonylContact O-C 3.58Å; T413-S427 VanDerWaalsContact O-CA 3.3Å; T413-S427 WeakPolarHBondContact O-CA 2.91Å; T414-S427 PolarHBondContact OG1-OG 3.46Å
428	G	90.9	Very high	93.2	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.1	166.8	0	0	0	0	0	111.3	Q412 T413 K448	Q412-G428 CarbonylContact C-O 3.54Å; Q412-G428 VanDerWaalsContact CA-O 3.29Å; Q412-G428 WeakPolarHBondContact CA-O 3.41Å; T413-G428 PolarHBondContact N-O 3.05Å; T413-G428 PolarHBondContact O-N 2.63Å; G428-K448 CarbonylContact C-O 3.35Å; G428-K448 WeakPolarHBondContact CA-O 3.18Å
429	L	93.1	Very high	93.4	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.9	176.2	174.6	67.3	0	0	0	108.6	T277 Q412 W445 S447 K448	T277-L429 HydrophobicContact CG2-CD1 3.48Å; T277-L429 VanDerWaalsContact CG2-CD1 3.48Å; Q412-L429 HydrophobicContact CB-CD1 4.49Å; L429-W445 HydrophobicContact CD1-CH2 4.49Å; L429-W445 HydrophobicContact CD1-CZ2 3.98Å; L429-W445 HydrophobicContact CD2-CD2 3.99Å; L429-W445 VanDerWaalsContact CD2-CE2 3.5Å; L429-W445 HydrophobicContact CD2-CG 4.11Å; L429-W445 HydrophobicContact CD2-CZ2 4.02Å; L429-W445 VanDerWaalsContact CD2-NE1 3.27Å; L429-S447 CarbonylContact O-C 3.46Å; L429-S447 WeakPolarHBondContact O-CA 3.21Å; L429-S447 PolarHBondContact O-OG 3.41Å; L429-K448 PolarHBondContact N-O 2.92Å; L429-K448 CarbonylContact O-C 3.59Å; L429-K448 PolarHBondContact O-N 2.78Å
430	R	92.7	Very high	93.7	Very high	137 Å²	137	50.4 Å²	50.4	52%	0.517	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.3	167	-176.3	177.9	67.4	-173.6	0.3	109.3	G410 F411 I432	G410-R430 CarbonylContact C-O 3.52Å; G410-R430 WeakPolarHBondContact CA-O 3.44Å; F411-R430 PolarHBondContact N-O 2.93Å; F411-R430 PolarHBondContact O-N 2.97Å; R430-I432 PolarHBondContact O-N 2.98Å
431	V	94.8	Very high	94	Very high	32 Å²	32	51.1 Å²	51.1	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.7	175.5	-178.2	0	0	0	0	109	R434 W445	V431-R434 HydrophobicContact CG1-CG 3.93Å; V431-W445 HydrophobicContact CB-CE3 4.43Å; V431-W445 HydrophobicContact CG1-CE3 3.94Å; V431-W445 HydrophobicContact CG1-CZ3 4.08Å; V431-W445 HydrophobicContact CG2-CD2 4.17Å; V431-W445 HydrophobicContact CG2-CE3 3.76Å; V431-W445 HydrophobicContact CG2-CZ3 4.29Å
432	I	95.2	Very high	94.4	Very high	103 Å²	103	50.4 Å²	50.4	53%	0.528	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-49.3	179.4	-61.1	172.9	0	0	0	109.9	E409 F411 R430	E409-I432 PolarHBondContact O-N 3.02Å; F411-I432 HydrophobicContact CB-CD1 4.09Å; F411-I432 HydrophobicContact CB-CG1 4.49Å; R430-I432 PolarHBondContact O-N 2.98Å
433	A	96.6	Very high	94.7	Very high	24 Å²	24	49.6 Å²	49.6	20%	0.198	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.7	179.3	0	0	0	0	0	110.1	A408 E409	A408-A433 CarbonylContact C-O 3.59Å; A408-A433 WeakPolarHBondContact CA-O 3.31Å; E409-A433 HydrophobicContact CB-CB 4.21Å; E409-A433 PolarHBondContact N-O 2.98Å; E409-A433 PolarHBondContact O-N 2.87Å
434	R	96.9	Very high	94.7	Very high	113 Å²	113	50.6 Å²	50.6	43%	0.426	25%	0.254	S	S	.	.			trans	-73.2	-34.2	-178.2	-68.7	-177.4	58.5	78.2	7.2	112.7	A408 V431 Y436 L437 D438	A408-R434 VanDerWaalsContact CB-O 3.3Å; A408-R434 WeakPolarHBondContact CB-O 3.32Å; V431-R434 HydrophobicContact CG1-CG 3.93Å; R434-Y436 PolarHBondContact O-N 3.29Å; R434-L437 HydrophobicContact CB-CB 4.33Å; R434-L437 PolarHBondContact NH2-O 3.33Å; R434-L437 VanDerWaalsContact O-CB 3.3Å; R434-L437 WeakPolarHBondContact O-CB 3.39Å; R434-L437 PolarHBondContact O-N 3.28Å; R434-D438 WeakPolarHBondContact CB-OD1 3.48Å; R434-D438 WeakPolarHBondContact CD-OD1 3.41Å; R434-D438 IonicContact CZ-OD1 3.75Å; R434-D438 IonicContact NE-OD1 3.17Å; R434-D438 PolarHBondContact NE-OD1 3.04Å
435	N	97.6	Very high	94.8	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	46.1	-122.5	177.4	-64.9	-31	0	0	0	111.5	F350 K406 N407 L437 D438	F350-N435 WeakPolarHBondContact CE2-O 3.41Å; K406-N435 HydrophobicContact CB-CB 3.98Å; K406-N435 WeakPolarHBondContact O-CB 3.36Å; N407-N435 VanDerWaalsContact O-CB 3.29Å; N407-N435 WeakPolarHBondContact O-CB 3.4Å; N407-N435 PolarHBondContact O-ND2 3.03Å; N435-L437 PolarHBondContact O-N 2.75Å; N435-D438 WeakPolarHBondContact O-CB 3.28Å; N435-D438 PolarHBondContact O-N 3Å
436	Y	98.4	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-52.8	-25.1	-177.2	85.3	-80.5	0	0	0	115.1	K279 L280 R281 A402 K406 A408 R434 D438 V439 Y440 E443	K279-Y436 HydrophobicContact CB-CE1 4.47Å; K279-Y436 VanDerWaalsContact CD-OH 3.23Å; K279-Y436 WeakPolarHBondContact CD-OH 3.32Å; K279-Y436 WeakPolarHBondContact CE-OH 3.46Å; K279-Y436 WeakPolarHBondContact CG-OH 3.41Å; K279-Y436 WeakPolarHBondContact O-CE1 3.45Å; L280-Y436 PolarHBondContact O-OH 3.39Å; R281-Y436 HydrophobicContact CB-CD1 3.9Å; R281-Y436 HydrophobicContact CB-CD2 4.32Å; R281-Y436 HydrophobicContact CB-CE1 4.45Å; R281-Y436 HydrophobicContact CB-CG 3.82Å; A402-Y436 HydrophobicContact CB-CD2 4.06Å; K406-Y436 PolarHBondContact O-N 2.94Å; A408-Y436 HydrophobicContact CB-CD1 4.16Å; A408-Y436 HydrophobicContact CB-CE1 3.82Å; R434-Y436 PolarHBondContact O-N 3.29Å; Y436-D438 PolarHBondContact O-N 3.31Å; Y436-D438 VanDerWaalsContact O-N 3.15Å; Y436-V439 WeakPolarHBondContact O-CG1 3.32Å; Y436-V439 PolarHBondContact O-N 3.38Å; Y436-Y440 HydrophobicContact CE2-CD1 4.36Å; Y436-Y440 WeakPolarHBondContact O-CB 3.4Å; Y436-Y440 PolarHBondContact O-N 2.94Å; Y436-Y440 VanDerWaalsContact O-N 3.12Å; Y436-E443 PolarHBondContact OH-OE2 3.25Å
437	L	98.1	Very high	94.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.5	-13.4	177.9	-63.4	171.5	0	0	0	113.5	A408 R434 N435 E443 W445	A408-L437 HydrophobicContact CB-CD1 3.55Å; A408-L437 HydrophobicContact CB-CG 4.01Å; R434-L437 HydrophobicContact CB-CB 4.33Å; R434-L437 PolarHBondContact NH2-O 3.33Å; R434-L437 VanDerWaalsContact O-CB 3.3Å; R434-L437 WeakPolarHBondContact O-CB 3.39Å; R434-L437 PolarHBondContact O-N 3.28Å; N435-L437 PolarHBondContact O-N 2.75Å; L437-E443 HydrophobicContact CD2-CB 3.99Å; L437-W445 HydrophobicContact CD1-CB 3.58Å; L437-W445 HydrophobicContact CD1-CD2 4.43Å; L437-W445 HydrophobicContact CD1-CE3 3.96Å; L437-W445 HydrophobicContact CD1-CG 4.36Å
438	D	97.9	Very high	94.1	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-78.6	-25.4	176.3	-67.3	-22.3	0	0	0	112.7	F350 R434 N435 Y436	F350-D438 HydrophobicContact CD2-CB 4.02Å; F350-D438 HydrophobicContact CE2-CB 4.03Å; R434-D438 WeakPolarHBondContact CB-OD1 3.48Å; R434-D438 WeakPolarHBondContact CD-OD1 3.41Å; R434-D438 IonicContact CZ-OD1 3.75Å; R434-D438 IonicContact NE-OD1 3.17Å; R434-D438 PolarHBondContact NE-OD1 3.04Å; N435-D438 WeakPolarHBondContact O-CB 3.28Å; N435-D438 PolarHBondContact O-N 3Å; Y436-D438 PolarHBondContact O-N 3.31Å; Y436-D438 VanDerWaalsContact O-N 3.15Å
439	V	98.3	Very high	93.5	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-20.5	175.6	74.9	0	0	0	0	113	W347 F350 R398 L401 A402 Y436 P441	W347-V439 HydrophobicContact CB-CG2 3.82Å; F350-V439 HydrophobicContact CB-CB 4.4Å; F350-V439 HydrophobicContact CB-CG2 4.47Å; F350-V439 HydrophobicContact CD1-CB 3.67Å; F350-V439 HydrophobicContact CD1-CG1 3.86Å; F350-V439 HydrophobicContact CD1-CG2 3.98Å; F350-V439 HydrophobicContact CD2-CB 3.81Å; F350-V439 HydrophobicContact CD2-CG1 4.35Å; F350-V439 HydrophobicContact CE1-CB 3.79Å; F350-V439 HydrophobicContact CE1-CG1 3.44Å; F350-V439 VanDerWaalsContact CE1-CG1 3.44Å; F350-V439 HydrophobicContact CE1-CG2 4.42Å; F350-V439 HydrophobicContact CE2-CB 3.93Å; F350-V439 HydrophobicContact CE2-CG1 4Å; F350-V439 HydrophobicContact CG-CB 3.69Å; F350-V439 HydrophobicContact CG-CG1 4.3Å; F350-V439 HydrophobicContact CG-CG2 4.15Å; F350-V439 HydrophobicContact CZ-CB 3.91Å; F350-V439 HydrophobicContact CZ-CG1 3.52Å; R398-V439 HydrophobicContact CB-CG2 4.47Å; R398-V439 HydrophobicContact CG-CG2 4.19Å; R398-V439 WeakPolarHBondContact CG-O 3.37Å; R398-V439 PolarHBondContact NH1-O 3.45Å; L401-V439 HydrophobicContact CB-CG1 4.16Å; L401-V439 HydrophobicContact CB-CG2 4.08Å; L401-V439 HydrophobicContact CD1-CG2 4.03Å; A402-V439 HydrophobicContact CB-CG1 3.94Å; Y436-V439 WeakPolarHBondContact O-CG1 3.32Å; Y436-V439 PolarHBondContact O-N 3.38Å; V439-P441 VanDerWaalsContact C-CD 3.5Å; V439-P441 WeakPolarHBondContact O-CD 3.16Å
440	Y	98.2	Very high	93.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	32%	0.324	C	S	.	.			trans	-110.3	76	-169.9	-152.8	-111.6	0	0	0	113.2	F395 R398 H399 A402 Y436 Y442 E443	F395-Y440 VanDerWaalsContact CE2-OH 3.3Å; F395-Y440 WeakPolarHBondContact CE2-OH 3.36Å; F395-Y440 WeakPolarHBondContact CZ-OH 3.37Å; R398-Y440 HydrophobicContact CB-CD2 4.26Å; H399-Y440 VanDerWaalsContact CA-CE2 3.42Å; H399-Y440 HydrophobicContact CB-CE2 3.67Å; H399-Y440 AromaticContact CG-CE2 3.95Å; H399-Y440 AromaticContact ND1-CE2 3.65Å; H399-Y440 AromaticContact ND1-CZ 3.45Å; H399-Y440 PolarHBondContact ND1-OH 3.2Å; A402-Y440 HydrophobicContact CB-CD2 3.82Å; A402-Y440 HydrophobicContact CB-CG 3.92Å; Y436-Y440 HydrophobicContact CE2-CD1 4.36Å; Y436-Y440 WeakPolarHBondContact O-CB 3.4Å; Y436-Y440 PolarHBondContact O-N 2.94Å; Y436-Y440 VanDerWaalsContact O-N 3.12Å; Y440-Y442 HydrophobicContact CD1-CD2 4.2Å; Y440-Y442 AromaticContact CD2-CD2 3.62Å; Y440-Y442 HydrophobicContact CD2-CD2 3.62Å; Y440-Y442 HydrophobicContact CD2-CE2 4.04Å; Y440-Y442 AromaticContact CE1-CD2 4Å; Y440-Y442 HydrophobicContact CE1-CD2 4Å; Y440-Y442 HydrophobicContact CE1-CG 4.49Å; Y440-Y442 AromaticContact CE2-CD2 3.34Å; Y440-Y442 HydrophobicContact CE2-CD2 3.34Å; Y440-Y442 AromaticContact CE2-CE2 3.82Å; Y440-Y442 HydrophobicContact CE2-CE2 3.82Å; Y440-Y442 HydrophobicContact CE2-CG 4.45Å; Y440-Y442 HydrophobicContact CG-CD2 4.01Å; Y440-Y442 AromaticContact CZ-CD2 3.54Å; Y440-Y442 PolarHBondContact O-N 2.96Å; Y440-E443 HydrophobicContact CD1-CB 4.16Å; Y440-E443 HydrophobicContact CD1-CG 4Å; Y440-E443 HydrophobicContact CE1-CG 4.03Å; Y440-E443 PolarHBondContact O-N 3.25Å
441	P	96.6	Very high	92.5	Very high	84 Å²	84	61.9 Å²	61.9	55%	0.545	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4	-174.8	31.8	-38.9	0	0	0	114.1	V439 E443	V439-P441 VanDerWaalsContact C-CD 3.5Å; V439-P441 WeakPolarHBondContact O-CD 3.16Å; P441-E443 PolarHBondContact O-N 2.84Å
442	Y	96.8	Very high	92	Very high	36 Å²	36	65 Å²	65	14%	0.141	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.5	179.6	-43.8	-70.9	0	0	0	112.8	K297 L298 F395 R398 Y440	K297-Y442 HydrophobicContact CB-CD1 4.04Å; K297-Y442 WeakPolarHBondContact CE-O 3.35Å; K297-Y442 PolarHBondContact NZ-O 3.48Å; L298-Y442 HydrophobicContact CD2-CD1 4.46Å; L298-Y442 HydrophobicContact CD2-CE1 3.83Å; F395-Y442 WeakPolarHBondContact CA-OH 3.27Å; F395-Y442 HydrophobicContact CD2-CD1 4.23Å; F395-Y442 AromaticContact CD2-CD2 3.96Å; F395-Y442 HydrophobicContact CD2-CD2 3.96Å; F395-Y442 AromaticContact CD2-CE1 3.98Å; F395-Y442 HydrophobicContact CD2-CE1 3.98Å; F395-Y442 AromaticContact CD2-CE2 3.66Å; F395-Y442 HydrophobicContact CD2-CE2 3.66Å; F395-Y442 HydrophobicContact CD2-CG 4.2Å; F395-Y442 AromaticContact CD2-CZ 3.67Å; F395-Y442 HydrophobicContact CE2-CD2 4.09Å; F395-Y442 HydrophobicContact CE2-CE2 4.25Å; F395-Y442 HydrophobicContact CE2-CG 4.23Å; F395-Y442 HydrophobicContact CG-CE2 4.44Å; R398-Y442 HydrophobicContact CB-CE2 4.01Å; R398-Y442 WeakPolarHBondContact CD-OH 3.31Å; Y440-Y442 HydrophobicContact CD1-CD2 4.2Å; Y440-Y442 AromaticContact CD2-CD2 3.62Å; Y440-Y442 HydrophobicContact CD2-CD2 3.62Å; Y440-Y442 HydrophobicContact CD2-CE2 4.04Å; Y440-Y442 AromaticContact CE1-CD2 4Å; Y440-Y442 HydrophobicContact CE1-CD2 4Å; Y440-Y442 HydrophobicContact CE1-CG 4.49Å; Y440-Y442 AromaticContact CE2-CD2 3.34Å; Y440-Y442 HydrophobicContact CE2-CD2 3.34Å; Y440-Y442 AromaticContact CE2-CE2 3.82Å; Y440-Y442 HydrophobicContact CE2-CE2 3.82Å; Y440-Y442 HydrophobicContact CE2-CG 4.45Å; Y440-Y442 HydrophobicContact CG-CD2 4.01Å; Y440-Y442 AromaticContact CZ-CD2 3.54Å; Y440-Y442 PolarHBondContact O-N 2.96Å
443	E	95.4	Very high	91.6	Very high	51 Å²	51	62.5 Å²	62.5	24%	0.238	34%	0.338	C	S	.	.			trans	-123.8	139.6	174.3	-77.4	-169.8	-156.7	0	0	111.7	K279 Y436 L437 Y440 P441	K279-E443 VanDerWaalsContact CE-OE2 3.28Å; K279-E443 WeakPolarHBondContact CE-OE2 3.23Å; K279-E443 IonicContact NZ-OE2 3.38Å; K279-E443 PolarHBondContact NZ-OE2 3.49Å; Y436-E443 PolarHBondContact OH-OE2 3.25Å; L437-E443 HydrophobicContact CD2-CB 3.99Å; Y440-E443 HydrophobicContact CD1-CB 4.16Å; Y440-E443 HydrophobicContact CD1-CG 4Å; Y440-E443 HydrophobicContact CE1-CG 4.03Å; Y440-E443 PolarHBondContact O-N 3.25Å; P441-E443 PolarHBondContact O-N 2.84Å
444	T	91.5	Very high	91.3	Very high	100 Å²	100	66.9 Å²	66.9	61%	0.613	36%	0.358	S	S	*	.			trans	-113.1	155	172.9	56.2	0	0	0	0	110.4	K279	K279-T444 PolarHBondContact NZ-O 3.32Å
445	W	93.3	Very high	91.2	Very high	42 Å²	42	65.2 Å²	65.2	16%	0.159	36%	0.36	C	S	.	.			trans	-139.5	97.2	169.6	-158.9	29.1	0	0	0	107.5	T277 K279 A408 E409 L429 V431 L437 S447	T277-W445 HydrophobicContact CG2-CH2 4.24Å; T277-W445 HydrophobicContact CG2-CZ2 3.88Å; K279-W445 HydrophobicContact CB-CD2 3.96Å; K279-W445 HydrophobicContact CB-CE3 4.2Å; K279-W445 HydrophobicContact CB-CG 4.47Å; K279-W445 HydrophobicContact CB-CH2 4.24Å; K279-W445 HydrophobicContact CB-CZ2 4.02Å; K279-W445 HydrophobicContact CB-CZ3 4.34Å; K279-W445 HydrophobicContact CD-CB 4.02Å; K279-W445 HydrophobicContact CD-CD2 4.15Å; K279-W445 HydrophobicContact CD-CG 3.78Å; A408-W445 HydrophobicContact CB-CE3 3.66Å; A408-W445 HydrophobicContact CB-CZ3 3.56Å; E409-W445 VanDerWaalsContact C-CZ3 3.49Å; E409-W445 WeakPolarHBondContact O-CZ3 3.26Å; L429-W445 HydrophobicContact CD1-CH2 4.49Å; L429-W445 HydrophobicContact CD1-CZ2 3.98Å; L429-W445 HydrophobicContact CD2-CD2 3.99Å; L429-W445 VanDerWaalsContact CD2-CE2 3.5Å; L429-W445 HydrophobicContact CD2-CG 4.11Å; L429-W445 HydrophobicContact CD2-CZ2 4.02Å; L429-W445 VanDerWaalsContact CD2-NE1 3.27Å; V431-W445 HydrophobicContact CB-CE3 4.43Å; V431-W445 HydrophobicContact CG1-CE3 3.94Å; V431-W445 HydrophobicContact CG1-CZ3 4.08Å; V431-W445 HydrophobicContact CG2-CD2 4.17Å; V431-W445 HydrophobicContact CG2-CE3 3.76Å; V431-W445 HydrophobicContact CG2-CZ3 4.29Å; L437-W445 HydrophobicContact CD1-CB 3.58Å; L437-W445 HydrophobicContact CD1-CD2 4.43Å; L437-W445 HydrophobicContact CD1-CE3 3.96Å; L437-W445 HydrophobicContact CD1-CG 4.36Å; W445-S447 PolarHBondContact O-N 2.99Å
446	N	86.9	Confident	91	Very high	126 Å²	126	68.2 Å²	68.2	67%	0.674	38%	0.377	S	S	*	.			trans	-77	118.2	-169.5	-66.3	-17.5	0	0	0	109.7
447	S	83.3	Confident	90.8	Very high	64 Å²	64	71.4 Å²	71.4	45%	0.448	39%	0.391	S	S	.	.			trans	-72.8	124.8	169.5	-156.1	0	0	0	0	108.2	L429 W445	L429-S447 CarbonylContact O-C 3.46Å; L429-S447 WeakPolarHBondContact O-CA 3.21Å; L429-S447 PolarHBondContact O-OG 3.41Å; W445-S447 PolarHBondContact O-N 2.99Å
448	K	84	Confident	90.6	Very high	137 Å²	137	75.1 Å²	75.1	60%	0.596	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-125.3	92.8	169	-176.1	-178	179.1	-174.4	0	105.7	G428 L429	G428-K448 CarbonylContact C-O 3.35Å; G428-K448 WeakPolarHBondContact CA-O 3.18Å; L429-K448 PolarHBondContact N-O 2.92Å; L429-K448 CarbonylContact O-C 3.59Å; L429-K448 PolarHBondContact O-N 2.78Å
449	E	79.2	Confident	90.4	Very high	139 Å²	139	73.4 Å²	73.4	65%	0.65	40%	0.403	S	S	*	.			trans	-69.8	137	174.9	-64.9	-171.7	179.3	0	0	108.8
450	I	83.2	Confident	90	Very high	37 Å²	37	80 Å²	80	19%	0.19	44%	0.438	C	S	.	.			trans	-109.3	150.7	171.8	59	173.4	0	0	0	108.1	T413 V415	T413-I450 HydrophobicContact CG2-CD1 3.95Å; V415-I450 HydrophobicContact CG2-CD1 3.69Å
451	P	81.5	Confident	89.6	Confident	83 Å²	83	81 Å²	81	54%	0.539	45%	0.445	S	S	.	.			trans	-53.4	156.2	174.2	-24.8	33.6	0	0	0	112.1	Y453	P451-Y453 HydrophobicContact CB-CD2 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.78Å; P451-Y453 HydrophobicContact CG-CE2 4.13Å; P451-Y453 WeakPolarHBondContact O-CD2 3.31Å; P451-Y453 WeakPolarHBondContact O-CE2 3.34Å; P451-Y453 PolarHBondContact O-N 2.79Å
452	A	83.4	Confident	89.2	Confident	97 Å²	97	81.3 Å²	81.3	80%	0.802	44%	0.441	S	S	*	.			trans	-73.3	124.9	169	0	0	0	0	0	108.6
453	Y	86.4	Confident	88.9	Confident	51 Å²	51	79.8 Å²	79.8	20%	0.2	44%	0.436	C	S	.	.			trans	-117.2	141.8	175.3	-68.2	-86.2	0	0	0	109.1	V269 V415 P451 E457 F459	V269-Y453 HydrophobicContact CG2-CD1 3.98Å; V269-Y453 HydrophobicContact CG2-CG 4.41Å; V415-Y453 HydrophobicContact CB-CD2 4.45Å; V415-Y453 HydrophobicContact CG1-CD2 4.13Å; V415-Y453 HydrophobicContact CG1-CG 4.13Å; V415-Y453 HydrophobicContact CG2-CD2 3.78Å; V415-Y453 HydrophobicContact CG2-CG 4.38Å; P451-Y453 HydrophobicContact CB-CD2 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.78Å; P451-Y453 HydrophobicContact CG-CE2 4.13Å; P451-Y453 WeakPolarHBondContact O-CD2 3.31Å; P451-Y453 WeakPolarHBondContact O-CE2 3.34Å; P451-Y453 PolarHBondContact O-N 2.79Å; Y453-E457 WeakPolarHBondContact CA-OE2 3.32Å; Y453-F459 HydrophobicContact CD1-CD1 4.43Å; Y453-F459 AromaticContact CD1-CE1 3.93Å; Y453-F459 HydrophobicContact CD1-CE1 3.93Å; Y453-F459 HydrophobicContact CE1-CD1 4.19Å; Y453-F459 AromaticContact CE1-CE1 3.64Å; Y453-F459 HydrophobicContact CE1-CE1 3.64Å; Y453-F459 AromaticContact CE1-CZ 3.95Å; Y453-F459 HydrophobicContact CE1-CZ 3.95Å
454	N	91	Very high	88.7	Confident	117 Å²	117	85 Å²	85	63%	0.626	45%	0.453	S	S	*	.			trans	-99.2	144.1	171.7	-62.8	-65.2	0	0	0	110.3	V269 N456 E457	V269-N454 WeakPolarHBondContact CB-O 3.43Å; V269-N454 WeakPolarHBondContact CG1-O 3.31Å; N454-N456 PolarHBondContact O-N 2.93Å; N454-E457 HydrophobicContact CB-CB 4.36Å; N454-E457 PolarHBondContact N-OE2 2.85Å; N454-E457 WeakPolarHBondContact O-CB 3.48Å; N454-E457 PolarHBondContact O-N 3.47Å
455	V	94.4	Very high	88.7	Confident	77 Å²	77	83 Å²	83	47%	0.467	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	136	171.9	179.7	0	0	0	0	108.8	V272 E457	V272-V455 HydrophobicContact CB-CG2 4.41Å; V272-V455 HydrophobicContact CG2-CG2 4.21Å; V455-E457 VanDerWaalsContact C-N 3.26Å; V455-E457 PolarHBondContact O-N 2.98Å
456	N	94.3	Very high	88.7	Confident	100 Å²	100	82.7 Å²	82.7	54%	0.535	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	3.1	-171.6	-53.3	-64.5	0	0	0	116.6	K268 V269 N454 V458	K268-N456 WeakPolarHBondContact CE-OD1 3.5Å; K268-N456 PolarHBondContact NZ-OD1 2.97Å; V269-N456 WeakPolarHBondContact O-CA 3.18Å; V269-N456 PolarHBondContact O-N 3.13Å; N454-N456 PolarHBondContact O-N 2.93Å; N456-V458 PolarHBondContact O-N 2.95Å
457	E	93.5	Very high	89	Confident	66 Å²	66	83.1 Å²	83.1	31%	0.308	44%	0.44	S	S	.	.			trans	-58.9	138.2	168.7	-174.9	177.9	159.2	0	0	110.2	K268 V269 Y453 N454 V455	K268-E457 WeakPolarHBondContact CA-O 3.11Å; V269-E457 HydrophobicContact CB-CB 4.42Å; V269-E457 HydrophobicContact CG2-CB 3.97Å; V269-E457 PolarHBondContact N-O 2.92Å; Y453-E457 WeakPolarHBondContact CA-OE2 3.32Å; N454-E457 HydrophobicContact CB-CB 4.36Å; N454-E457 PolarHBondContact N-OE2 2.85Å; N454-E457 WeakPolarHBondContact O-CB 3.48Å; N454-E457 PolarHBondContact O-N 3.47Å; V455-E457 VanDerWaalsContact C-N 3.26Å; V455-E457 PolarHBondContact O-N 2.98Å
458	V	94	Very high	89.5	Confident	84 Å²	84	80.9 Å²	80.9	51%	0.509	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	179.3	-178.5	0	0	0	0	108.6	T266 A267 K268 N456	T266-V458 HydrophobicContact CG2-CG1 4.26Å; A267-V458 VanDerWaalsContact O-CA 3.3Å; A267-V458 WeakPolarHBondContact O-CA 3.35Å; K268-V458 HydrophobicContact CB-CG2 4.27Å; K268-V458 HydrophobicContact CG-CG2 4.11Å; N456-V458 PolarHBondContact O-N 2.95Å
459	F	92.6	Very high	90.1	Very high	47 Å²	47	77.7 Å²	77.7	21%	0.206	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.7	178.8	59.8	-91.4	0	0	0	111	T266 A267 V269 I417 Y453 V461	T266-F459 CarbonylContact C-O 3.52Å; T266-F459 WeakPolarHBondContact CA-O 3.12Å; A267-F459 HydrophobicContact CB-CD2 4.24Å; A267-F459 HydrophobicContact CB-CE1 4.16Å; A267-F459 HydrophobicContact CB-CE2 3.78Å; A267-F459 HydrophobicContact CB-CZ 3.74Å; A267-F459 PolarHBondContact N-O 3.33Å; A267-F459 PolarHBondContact O-N 3.01Å; V269-F459 HydrophobicContact CG2-CD1 4.42Å; V269-F459 HydrophobicContact CG2-CE1 3.82Å; I417-F459 HydrophobicContact CD1-CZ 4.2Å; I417-F459 HydrophobicContact CG2-CE1 4.15Å; I417-F459 HydrophobicContact CG2-CZ 3.96Å; Y453-F459 HydrophobicContact CD1-CD1 4.43Å; Y453-F459 AromaticContact CD1-CE1 3.93Å; Y453-F459 HydrophobicContact CD1-CE1 3.93Å; Y453-F459 HydrophobicContact CE1-CD1 4.19Å; Y453-F459 AromaticContact CE1-CE1 3.64Å; Y453-F459 HydrophobicContact CE1-CE1 3.64Å; Y453-F459 AromaticContact CE1-CZ 3.95Å; Y453-F459 HydrophobicContact CE1-CZ 3.95Å; F459-V461 HydrophobicContact CE2-CB 4.33Å
460	N	90.6	Very high	90.8	Very high	140 Å²	140	72 Å²	72	75%	0.749	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.5	176.2	-65.2	-14	0	0	0	109.9
461	V	89	Confident	91.2	Very high	24 Å²	24	74.4 Å²	74.4	15%	0.145	41%	0.414	C	S	.	.			trans	-127.7	138.5	178.9	70.5	0	0	0	0	109.9	A241 G265 A267 V419 F459 V463	A241-V461 HydrophobicContact CB-CG2 3.89Å; G265-V461 PolarHBondContact O-N 2.95Å; A267-V461 HydrophobicContact CB-CB 3.91Å; A267-V461 HydrophobicContact CB-CG1 3.79Å; V419-V461 HydrophobicContact CG1-CG1 3.93Å; V419-V461 HydrophobicContact CG2-CG1 3.93Å; F459-V461 HydrophobicContact CE2-CB 4.33Å; V461-V463 HydrophobicContact CG1-CG2 4.05Å; V461-V463 HydrophobicContact CG2-CG2 4.44Å
462	D	88.7	Confident	91.9	Very high	89 Å²	89	71.9 Å²	71.9	48%	0.476	40%	0.397	S	S	.	.			trans	-100.3	109.8	171.6	-178.9	13.1	0	0	0	108.1	R464	D462-R464 IonicContact OD1-NE 2.85Å; D462-R464 IonicContact OD2-CZ 2.67Å; D462-R464 IonicContact OD2-NE 3.65Å; D462-R464 PolarHBondContact OD2-NE 2.92Å; D462-R464 IonicContact OD2-NH2 3.29Å; D462-R464 PolarHBondContact OD2-NH2 2.96Å
463	V	90.4	Very high	92.4	Very high	4 Å²	4	69 Å²	69	2%	0.024	37%	0.371	C	S	.	.			trans	-96.4	122	176.8	-171.5	0	0	0	0	108.8	L239 A241 L257 C260 Q261 V419 F424 V461	L239-V463 HydrophobicContact CB-CG1 4.19Å; A241-V463 HydrophobicContact CB-CG2 4Å; L257-V463 HydrophobicContact CD1-CG1 4.22Å; L257-V463 WeakPolarHBondContact CD1-O 3.4Å; C260-V463 HydrophobicContact CB-CB 4.09Å; C260-V463 HydrophobicContact CB-CG1 3.97Å; C260-V463 HydrophobicContact CB-CG2 4.06Å; Q261-V463 PolarHBondContact NE2-O 3.43Å; V419-V463 HydrophobicContact CG1-CG2 3.96Å; F424-V463 HydrophobicContact CZ-CG1 4.05Å; V461-V463 HydrophobicContact CG1-CG2 4.05Å; V461-V463 HydrophobicContact CG2-CG2 4.44Å
464	R	91.5	Very high	92.9	Very high	160 Å²	160	69.6 Å²	69.6	60%	0.604	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.3	179.1	-57.7	-177.7	-173	174.3	2.7	110.7	V240 D462	V240-R464 PolarHBondContact N-O 3.46Å; V240-R464 PolarHBondContact O-N 2.95Å; V240-R464 VanDerWaalsContact O-N 3.12Å; D462-R464 IonicContact OD1-NE 2.85Å; D462-R464 IonicContact OD2-CZ 2.67Å; D462-R464 IonicContact OD2-NE 3.65Å; D462-R464 PolarHBondContact OD2-NE 2.92Å; D462-R464 IonicContact OD2-NH2 3.29Å; D462-R464 PolarHBondContact OD2-NH2 2.96Å
465	M	91.5	Very high	93.2	Very high	59 Å²	59	65.1 Å²	65.1	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.7	165.7	-175.9	172.4	69.5	0	0	109.3	W237 L239 C253 E254 L257	W237-M465 HydrophobicContact CB-CG 4.13Å; W237-M465 HydrophobicContact CB-SD 4.08Å; W237-M465 HydrophobicContact CG-CG 4.48Å; W237-M465 HydrophobicContact CG-SD 4.1Å; L239-M465 HydrophobicContact CD2-CB 4.24Å; C253-M465 HydrophobicContact CB-SD 3.99Å; E254-M465 HydrophobicContact CG-CE 3.78Å; E254-M465 HydrophobicContact CG-SD 3.98Å; L257-M465 HydrophobicContact CD1-CB 4.39Å; L257-M465 HydrophobicContact CD2-CB 3.94Å
466	S	92.7	Very high	93.3	Very high	35 Å²	35	61.5 Å²	61.5	25%	0.245	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.5	169.4	66.5	0	0	0	0	110.1	W237 K238 V240	W237-S466 CarbonylContact C-O 3.59Å; W237-S466 WeakPolarHBondContact CA-O 3.49Å; K238-S466 WeakPolarHBondContact CE-OG 3.4Å; K238-S466 WeakPolarHBondContact CG-OG 3.35Å; K238-S466 PolarHBondContact N-O 2.91Å; K238-S466 PolarHBondContact O-N 3.4Å; K238-S466 PolarHBondContact O-OG 3.18Å; V240-S466 VanDerWaalsContact CG2-OG 3.23Å; V240-S466 WeakPolarHBondContact CG2-OG 3.49Å
467	E	94.9	Very high	93.5	Very high	136 Å²	136	58.1 Å²	58.1	64%	0.636	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.1	177.6	-175.1	177	173.3	0	0	110.2
468	G	93.5	Very high	93.7	Very high	17 Å²	17	55.8 Å²	55.8	18%	0.175	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	169.3	172.5	0	0	0	0	0	110.5	P235 F236	P235-G468 CarbonylContact C-O 3.59Å; P235-G468 WeakPolarHBondContact CA-O 3.22Å; F236-G468 PolarHBondContact N-O 2.91Å; F236-G468 PolarHBondContact O-N 2.91Å; F236-G468 VanDerWaalsContact O-O 3.05Å
469	V	95.2	Very high	93.8	Very high	70 Å²	70	52.3 Å²	52.3	42%	0.424	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.2	177.3	-178.1	0	0	0	0	108	R233 E234 F236	R233-V469 HydrophobicContact CB-CG1 3.72Å; R233-V469 HydrophobicContact CG-CG1 4.38Å; E234-V469 WeakPolarHBondContact O-CA 3.21Å; F236-V469 VanDerWaalsContact CE1-C 3.47Å
470	T	93.7	Very high	94	Very high	20 Å²	20	53.3 Å²	53.3	12%	0.123	29%	0.293	C	S	.	.			trans	-62.7	145.8	175.2	61.2	0	0	0	0	110.6	F231 R233 E234 F236 F248	F231-T470 WeakPolarHBondContact CE1-OG1 3.29Å; R233-T470 WeakPolarHBondContact CG-O 3.24Å; E234-T470 HydrophobicContact CB-CG2 4.32Å; E234-T470 PolarHBondContact N-OG1 3.47Å; E234-T470 PolarHBondContact O-N 2.89Å; E234-T470 PolarHBondContact O-OG1 2.95Å; F236-T470 HydrophobicContact CD1-CG2 4.03Å; F236-T470 HydrophobicContact CE1-CG2 4.41Å; F248-T470 HydrophobicContact CE1-CG2 3.83Å; F248-T470 HydrophobicContact CZ-CG2 4.33Å
471	S	93.6	Very high	94.4	Very high	87 Å²	87	46.7 Å²	46.7	61%	0.608	26%	0.258	S	S	*	.			trans	-109.9	141.7	-177.7	-69.6	0	0	0	0	110.3	F231	F231-S471 WeakPolarHBondContact CZ-O 3.49Å
472	P	94.6	Very high	94.8	Very high	29 Å²	29	45.5 Å²	45.5	19%	0.188	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.2	154.8	176.2	29.5	-36.6	0	0	0	111	F231	F231-P472 HydrophobicContact CB-CB 3.79Å; F231-P472 HydrophobicContact CD1-CB 3.77Å; F231-P472 HydrophobicContact CG-CB 3.81Å
473	P	95.2	Very high	95.2	Very high	38 Å²	38	42.3 Å²	42.3	25%	0.247	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-60.4	133.8	173.2	26.5	-34	0	0	0	109.5	Q227 N228	Q227-P473 HydrophobicContact CB-CG 4.17Å; N228-P473 PolarHBondContact ND2-O 3.32Å
474	P	96.1	Very high	95.5	Very high	62 Å²	62	44.2 Å²	44.2	40%	0.403	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-67.2	153.9	179.3	29.6	-35.4	0	0	0	110.8	R224	R224-P474 VanDerWaalsContact CD-O 3.28Å; R224-P474 WeakPolarHBondContact CD-O 3.43Å; R224-P474 WeakPolarHBondContact CG-O 3.4Å; R224-P474 PolarHBondContact NH1-O 3.21Å
475	L	96.6	Very high	95.8	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.126	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-56.1	152.1	170	-62.8	-179.9	0	0	0	111	Y225 N228 S477 T512 R516 L518	Y225-L475 HydrophobicContact CD2-CD2 4.01Å; N228-L475 HydrophobicContact CB-CD2 4.37Å; L475-S477 PolarHBondContact O-N 3.39Å; L475-T512 HydrophobicContact CD1-CG2 4.12Å; L475-R516 HydrophobicContact CB-CB 3.83Å; L475-R516 WeakPolarHBondContact O-CD 3.38Å; L475-R516 PolarHBondContact O-NH1 3.05Å; L475-L518 HydrophobicContact CD1-CB 4.35Å; L475-L518 HydrophobicContact CD1-CD1 3.79Å
476	L	98.2	Very high	95.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-65.7	130	-177.3	-68.2	174.7	0	0	0	111.4	F220 V221 R224 E480 L481 L484 R516 F517	F220-L476 HydrophobicContact CB-CD1 4.05Å; F220-L476 WeakPolarHBondContact O-CD1 3.3Å; V221-L476 HydrophobicContact CG2-CD1 4.34Å; R224-L476 HydrophobicContact CB-CD1 4.14Å; R224-L476 HydrophobicContact CB-CD2 4.42Å; R224-L476 HydrophobicContact CB-CG 3.8Å; R224-L476 HydrophobicContact CG-CD2 4.34Å; R224-L476 HydrophobicContact CG-CG 3.94Å; R224-L476 VanDerWaalsContact CZ-CD2 3.47Å; L476-E480 HydrophobicContact CD2-CB 3.79Å; L476-L481 HydrophobicContact CD1-CD1 4.09Å; L476-L484 HydrophobicContact CD1-CD1 3.74Å; L476-L484 HydrophobicContact CD2-CD1 3.67Å; L476-L484 HydrophobicContact CG-CD1 4.39Å; L476-R516 CarbonylContact O-C 3.57Å; L476-R516 VanDerWaalsContact O-CA 3.32Å; L476-R516 WeakPolarHBondContact O-CA 3.3Å; L476-F517 HydrophobicContact CB-CD2 4.35Å; L476-F517 WeakPolarHBondContact O-CD2 3.44Å; L476-F517 PolarHBondContact O-N 3.2Å
477	S	97.3	Very high	96.1	Very high	29 Å²	29	43.7 Å²	43.7	20%	0.203	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-76.4	167.2	157.9	61.4	0	0	0	0	111	L475 A479 E480 L481	L475-S477 PolarHBondContact O-N 3.39Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.09Å; S477-E480 WeakPolarHBondContact CB-OE2 3.4Å; S477-E480 PolarHBondContact N-OE2 3.5Å; S477-E480 PolarHBondContact O-N 2.58Å; S477-E480 VanDerWaalsContact OG-CG 3.31Å; S477-E480 WeakPolarHBondContact OG-CG 3.43Å; S477-E480 PolarHBondContact OG-N 3.11Å; S477-E480 PolarHBondContact OG-OE2 3.32Å; S477-L481 PolarHBondContact O-N 3.1Å
478	E	97.2	Very high	96.1	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-40.8	175.1	-164.8	176.4	-125	0	0	112.7	S295 S301 A302 E480 L481 I482 I500 K504 F517	S295-E478 PolarHBondContact OG-OE2 2.84Å; S301-E478 VanDerWaalsContact CA-OE2 3.23Å; S301-E478 WeakPolarHBondContact CA-OE2 3.48Å; A302-E478 PolarHBondContact N-OE2 3.07Å; E478-E480 PolarHBondContact O-N 2.89Å; E478-L481 PolarHBondContact O-N 3.08Å; E478-I482 HydrophobicContact CG-CD1 4.19Å; E478-I482 VanDerWaalsContact O-CG1 3.25Å; E478-I482 WeakPolarHBondContact O-CG1 3.28Å; E478-I482 PolarHBondContact O-N 3.44Å; E478-I500 HydrophobicContact CG-CD1 4.31Å; E478-I500 HydrophobicContact CG-CG2 4.22Å; E478-K504 IonicContact OE1-NZ 2.99Å; E478-K504 PolarHBondContact OE1-NZ 2.7Å; E478-F517 HydrophobicContact CB-CE2 4.1Å; E478-F517 HydrophobicContact CB-CZ 4.21Å; E478-F517 HydrophobicContact CG-CE2 4.43Å; E478-F517 HydrophobicContact CG-CZ 4.23Å
479	A	96.8	Very high	96.2	Very high	11 Å²	11	39.7 Å²	39.7	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-38.1	175.8	0	0	0	0	0	113.2	K292 Q296 S477 G483	K292-A479 HydrophobicContact CB-CB 4.06Å; K292-A479 HydrophobicContact CG-CB 4.22Å; Q296-A479 HydrophobicContact CB-CB 4.45Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.09Å; A479-G483 PolarHBondContact O-N 2.83Å
480	E	97.8	Very high	96.2	Very high	69 Å²	69	36.3 Å²	36.3	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-70.3	-37.8	176.4	-70.4	164.5	127.3	0	0	111.7	L476 S477 E478 G483 L484 R516	L476-E480 HydrophobicContact CD2-CB 3.79Å; S477-E480 WeakPolarHBondContact CB-OE2 3.4Å; S477-E480 PolarHBondContact N-OE2 3.5Å; S477-E480 PolarHBondContact O-N 2.58Å; S477-E480 VanDerWaalsContact OG-CG 3.31Å; S477-E480 WeakPolarHBondContact OG-CG 3.43Å; S477-E480 PolarHBondContact OG-N 3.11Å; S477-E480 PolarHBondContact OG-OE2 3.32Å; E478-E480 PolarHBondContact O-N 2.89Å; E480-G483 PolarHBondContact O-N 2.94Å; E480-L484 WeakPolarHBondContact O-CG 3.19Å; E480-L484 PolarHBondContact O-N 3.02Å; E480-R516 IonicContact OE2-NH1 3.81Å; E480-R516 PolarHBondContact OE2-NH1 3.22Å; E480-R516 VanDerWaalsContact OE2-NH1 3.08Å
481	L	98.1	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-44.9	175.8	-178.8	58	0	0	0	111.4	T217 F220 V221 L476 S477 E478 G483 L484 M485 I500 I503 F517	T217-L481 HydrophobicContact CG2-CD1 4.15Å; T217-L481 HydrophobicContact CG2-CD2 3.92Å; T217-L481 HydrophobicContact CG2-CG 4.25Å; F220-L481 HydrophobicContact CB-CD1 3.74Å; F220-L481 HydrophobicContact CD2-CD1 3.99Å; F220-L481 HydrophobicContact CG-CD1 4.32Å; V221-L481 HydrophobicContact CG2-CD1 4.25Å; V221-L481 HydrophobicContact CG2-CD2 4.04Å; L476-L481 HydrophobicContact CD1-CD1 4.09Å; S477-L481 PolarHBondContact O-N 3.1Å; E478-L481 PolarHBondContact O-N 3.08Å; L481-G483 VanDerWaalsContact C-N 3.3Å; L481-G483 PolarHBondContact O-N 3.35Å; L481-L484 PolarHBondContact O-N 2.93Å; L481-M485 HydrophobicContact CD1-CG 4.49Å; L481-M485 HydrophobicContact CG-SD 4.36Å; L481-M485 WeakPolarHBondContact O-CG 3.39Å; L481-M485 PolarHBondContact O-N 3.28Å; L481-I500 HydrophobicContact CD2-CD1 4.07Å; L481-I500 HydrophobicContact CD2-CG1 3.8Å; L481-I500 HydrophobicContact CD2-CG2 4.45Å; L481-I500 HydrophobicContact CG-CD1 4.15Å; L481-I500 HydrophobicContact CG-CG1 4.27Å; L481-I503 HydrophobicContact CD2-CD1 4.32Å; L481-F517 HydrophobicContact CB-CD2 4.34Å; L481-F517 HydrophobicContact CB-CE2 3.96Å; L481-F517 HydrophobicContact CD2-CD2 3.83Å; L481-F517 HydrophobicContact CD2-CE2 3.38Å; L481-F517 HydrophobicContact CD2-CZ 3.92Å; L481-F517 HydrophobicContact CG-CE2 4.33Å
482	I	97.4	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-45.5	173.1	-66.7	165.2	0	0	0	110.2	V288 E291 K292 A302 E478 L484 M485 E486 H496 I500	V288-I482 HydrophobicContact CG1-CG2 3.69Å; E291-I482 HydrophobicContact CB-CD1 3.93Å; K292-I482 HydrophobicContact CD-CG2 4.08Å; K292-I482 HydrophobicContact CG-CB 4Å; K292-I482 HydrophobicContact CG-CG2 3.77Å; A302-I482 HydrophobicContact CB-CD1 3.84Å; E478-I482 HydrophobicContact CG-CD1 4.19Å; E478-I482 VanDerWaalsContact O-CG1 3.25Å; E478-I482 WeakPolarHBondContact O-CG1 3.28Å; E478-I482 PolarHBondContact O-N 3.44Å; I482-L484 VanDerWaalsContact C-N 3.3Å; I482-L484 PolarHBondContact O-N 2.79Å; I482-M485 PolarHBondContact O-N 3.24Å; I482-E486 PolarHBondContact O-N 2.9Å; I482-H496 HydrophobicContact CG1-CB 4.35Å; I482-H496 HydrophobicContact CG2-CB 4.47Å; I482-I500 HydrophobicContact CD1-CD1 4.28Å; I482-I500 HydrophobicContact CG1-CD1 3.48Å; I482-I500 VanDerWaalsContact CG1-CD1 3.48Å
483	G	96.4	Very high	95.3	Very high	22 Å²	22	34.2 Å²	34.2	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-33.7	177.5	0	0	0	0	0	113.9	A479 E480 L481 K487	A479-G483 PolarHBondContact O-N 2.83Å; E480-G483 PolarHBondContact O-N 2.94Å; L481-G483 VanDerWaalsContact C-N 3.3Å; L481-G483 PolarHBondContact O-N 3.35Å; G483-K487 VanDerWaalsContact O-CB 3.22Å; G483-K487 WeakPolarHBondContact O-CB 3.3Å; G483-K487 PolarHBondContact O-N 3.23Å; G483-K487 VanDerWaalsContact O-N 3.08Å
484	L	97.1	Very high	94.7	Very high	44 Å²	44	33.1 Å²	33.1	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-71.8	-42.4	173.7	-75.2	173.6	0	0	0	112.3	F220 L476 E480 L481 I482 K487 C488	F220-L484 HydrophobicContact CB-CD1 4.18Å; F220-L484 HydrophobicContact CD1-CB 4.35Å; F220-L484 HydrophobicContact CD1-CD1 4.31Å; F220-L484 HydrophobicContact CD2-CB 4.24Å; F220-L484 HydrophobicContact CE1-CB 4.46Å; F220-L484 HydrophobicContact CE2-CB 4.34Å; F220-L484 HydrophobicContact CG-CB 4.25Å; F220-L484 HydrophobicContact CG-CD1 4.28Å; F220-L484 HydrophobicContact CZ-CB 4.46Å; L476-L484 HydrophobicContact CD1-CD1 3.74Å; L476-L484 HydrophobicContact CD2-CD1 3.67Å; L476-L484 HydrophobicContact CG-CD1 4.39Å; E480-L484 WeakPolarHBondContact O-CG 3.19Å; E480-L484 PolarHBondContact O-N 3.02Å; L481-L484 PolarHBondContact O-N 2.93Å; I482-L484 VanDerWaalsContact C-N 3.3Å; I482-L484 PolarHBondContact O-N 2.79Å; L484-K487 PolarHBondContact O-N 3.33Å; L484-C488 WeakPolarHBondContact O-CB 3.42Å; L484-C488 PolarHBondContact O-N 2.87Å; L484-C488 PolarHBondContact O-SG 3.31Å
485	M	97.6	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-47.9	176.7	-70	177.2	69.1	0	0	111.4	T217 F220 L481 I482 K487 C488 G489 I490 H496 H499 I500	T217-M485 HydrophobicContact CG2-CE 4.32Å; T217-M485 HydrophobicContact CG2-SD 3.66Å; T217-M485 WeakPolarHBondContact OG1-CE 3.43Å; F220-M485 HydrophobicContact CD2-CG 4.22Å; F220-M485 HydrophobicContact CE2-CG 4.04Å; L481-M485 HydrophobicContact CD1-CG 4.49Å; L481-M485 HydrophobicContact CG-SD 4.36Å; L481-M485 WeakPolarHBondContact O-CG 3.39Å; L481-M485 PolarHBondContact O-N 3.28Å; I482-M485 PolarHBondContact O-N 3.24Å; M485-K487 PolarHBondContact O-N 3.3Å; M485-C488 CarbonylContact O-C 3.41Å; M485-C488 PolarHBondContact O-N 3.34Å; M485-G489 PolarHBondContact O-N 3.31Å; M485-I490 CarbonylContact C-O 3.57Å; M485-I490 HydrophobicContact CB-CG1 4.04Å; M485-I490 HydrophobicContact CE-CG1 4.46Å; M485-I490 HydrophobicContact CG-CD1 4.34Å; M485-I490 HydrophobicContact CG-CG1 4.17Å; M485-I490 PolarHBondContact O-N 2.88Å; M485-I490 VanDerWaalsContact O-N 3.08Å; M485-H496 HydrophobicContact CE-CB 4.41Å; M485-H499 HydrophobicContact CE-CB 4.07Å; M485-I500 HydrophobicContact SD-CD1 4.05Å; M485-I500 HydrophobicContact SD-CG1 3.93Å
486	E	94.8	Very high	94.2	Very high	66 Å²	66	30.2 Å²	30.2	31%	0.308	17%	0.17	S	C	.	.	H	α-helix	trans	-58.5	-49.4	175.2	-174.6	-167.8	-173.1	0	0	110.9	V288 K366 I482 C488 G489	V288-E486 HydrophobicContact CG1-CB 4.28Å; V288-E486 HydrophobicContact CG1-CG 4.29Å; V288-E486 VanDerWaalsContact CG1-OE2 3.29Å; V288-E486 WeakPolarHBondContact CG1-OE2 3.4Å; K366-E486 IonicContact NZ-OE1 2.89Å; K366-E486 PolarHBondContact NZ-OE1 3Å; I482-E486 PolarHBondContact O-N 2.9Å; E486-C488 PolarHBondContact O-N 2.99Å; E486-G489 PolarHBondContact O-N 3.39Å
487	K	95.8	Very high	94	Very high	177 Å²	177	30.4 Å²	30.4	77%	0.77	17%	0.172	S	C	*	.	H	α-helix	trans	-58.3	-33.3	179.6	-179.1	179.9	176.7	-174.3	0	112.5	G483 L484 M485	G483-K487 VanDerWaalsContact O-CB 3.22Å; G483-K487 WeakPolarHBondContact O-CB 3.3Å; G483-K487 PolarHBondContact O-N 3.23Å; G483-K487 VanDerWaalsContact O-N 3.08Å; L484-K487 PolarHBondContact O-N 3.33Å; M485-K487 PolarHBondContact O-N 3.3Å
488	C	96.3	Very high	93.7	Very high	40 Å²	40	34.1 Å²	34.1	27%	0.27	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0	-179.1	-59.3	0	0	0	0	113.4	F220 L484 M485 E486 P540 A544	F220-C488 HydrophobicContact CZ-CB 3.85Å; F220-C488 WeakPolarHBondContact CZ-SG 3.46Å; L484-C488 WeakPolarHBondContact O-CB 3.42Å; L484-C488 PolarHBondContact O-N 2.87Å; L484-C488 PolarHBondContact O-SG 3.31Å; M485-C488 CarbonylContact O-C 3.41Å; M485-C488 PolarHBondContact O-N 3.34Å; E486-C488 PolarHBondContact O-N 2.99Å; C488-P540 HydrophobicContact CB-CB 3.8Å; C488-P540 HydrophobicContact CB-CG 3.66Å; C488-A544 WeakPolarHBondContact O-CB 3.41Å
489	G	95	Very high	93.6	Very high	28 Å²	28	34.4 Å²	34.4	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	34.5	178.1	0	0	0	0	0	114.2	M485 E486 A544	M485-G489 PolarHBondContact O-N 3.31Å; E486-G489 PolarHBondContact O-N 3.39Å; G489-A544 WeakPolarHBondContact O-CA 3.47Å
490	I	95.7	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-120.2	148.4	172.8	69.2	166.6	0	0	0	110.8	P216 F220 M485 H496 P540 R543 A544	P216-I490 HydrophobicContact CB-CD1 3.98Å; P216-I490 HydrophobicContact CG-CD1 3.95Å; F220-I490 HydrophobicContact CE2-CD1 3.86Å; F220-I490 HydrophobicContact CE2-CG1 4.41Å; M485-I490 CarbonylContact C-O 3.57Å; M485-I490 HydrophobicContact CB-CG1 4.04Å; M485-I490 HydrophobicContact CE-CG1 4.46Å; M485-I490 HydrophobicContact CG-CD1 4.34Å; M485-I490 HydrophobicContact CG-CG1 4.17Å; M485-I490 PolarHBondContact O-N 2.88Å; M485-I490 VanDerWaalsContact O-N 3.08Å; I490-H496 PolarHBondContact O-NE2 3.42Å; I490-P540 HydrophobicContact CD1-CB 4.04Å; I490-P540 HydrophobicContact CG1-CB 4.46Å; I490-P540 HydrophobicContact CG2-CB 3.85Å; I490-R543 HydrophobicContact CB-CG 4.05Å; I490-R543 HydrophobicContact CG2-CB 3.85Å; I490-R543 HydrophobicContact CG2-CG 3.71Å; I490-A544 HydrophobicContact CG2-CB 3.91Å
491	G	92.2	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	74.9	26.4	-175.1	0	0	0	0	0	113.3	T495 H496 E547	G491-T495 WeakPolarHBondContact CA-OG1 3.31Å; G491-T495 PolarHBondContact O-N 3.47Å; G491-T495 PolarHBondContact O-OG1 3.32Å; G491-T495 VanDerWaalsContact O-OG1 3.07Å; G491-H496 PolarHBondContact O-CD2 3.01Å; G491-H496 PolarHBondContact O-CE1 3.1Å; G491-H496 PolarHBondContact O-N 3.14Å; G491-H496 PolarHBondContact O-ND1 3.24Å; G491-H496 PolarHBondContact O-NE2 2.8Å; G491-E547 PolarHBondContact N-OE1 3.4Å; G491-E547 PolarHBondContact N-OE2 3.26Å; G491-E547 VanDerWaalsContact N-OE2 3.08Å
492	T	87.2	Confident	93.4	Very high	41 Å²	41	34.4 Å²	34.4	25%	0.252	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	167.6	175.4	61.3	0	0	0	0	111.7	A494 T495 E547	T492-A494 VanDerWaalsContact C-N 3.34Å; T492-A494 PolarHBondContact O-N 3.26Å; T492-T495 WeakPolarHBondContact O-CG2 3.45Å; T492-T495 PolarHBondContact O-N 3.28Å; T492-T495 PolarHBondContact O-OG1 2.93Å; T492-E547 WeakPolarHBondContact CB-OE2 3.44Å; T492-E547 VanDerWaalsContact CG2-OE2 3.22Å; T492-E547 WeakPolarHBondContact CG2-OE2 3.02Å; T492-E547 PolarHBondContact N-OE2 2.85Å; T492-E547 PolarHBondContact OG1-OE2 3.38Å
493	D	82.2	Confident	93.4	Very high	51 Å²	51	34.4 Å²	34.4	27%	0.273	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	37	178.5	-123.3	1.6	0	0	0	113.5	R120 T495	R120-D493 WeakPolarHBondContact CD-OD2 3.4Å; R120-D493 WeakPolarHBondContact CG-OD2 3.23Å; R120-D493 IonicContact CZ-OD2 3.7Å; R120-D493 IonicContact NE-OD2 3.84Å; R120-D493 PolarHBondContact NE-OD2 2.87Å; R120-D493 VanDerWaalsContact NE-OD2 3.16Å; R120-D493 IonicContact NH1-OD2 2.66Å; R120-D493 PolarHBondContact NH1-OD2 2.72Å; D493-T495 VanDerWaalsContact C-N 3.35Å; D493-T495 PolarHBondContact O-N 3.16Å
494	A	83.2	Confident	93.2	Very high	14 Å²	14	35 Å²	35	12%	0.116	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	38.2	179.9	0	0	0	0	0	114.5	T287 M306 R322 T492	T287-A494 HydrophobicContact CG2-CB 3.75Å; M306-A494 HydrophobicContact CE-CB 4.39Å; R322-A494 HydrophobicContact CB-CB 4.12Å; R322-A494 HydrophobicContact CG-CB 3.9Å; R322-A494 PolarHBondContact NH1-O 3.36Å; R322-A494 VanDerWaalsContact NH1-O 3.1Å; T492-A494 VanDerWaalsContact C-N 3.34Å; T492-A494 PolarHBondContact O-N 3.26Å
495	T	88.9	Confident	93	Very high	19 Å²	19	40 Å²	40	12%	0.117	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.7	179	59.6	0	0	0	0	114.2	G491 T492 D493 A497 E498 H499	G491-T495 WeakPolarHBondContact CA-OG1 3.31Å; G491-T495 PolarHBondContact O-N 3.47Å; G491-T495 PolarHBondContact O-OG1 3.32Å; G491-T495 VanDerWaalsContact O-OG1 3.07Å; T492-T495 WeakPolarHBondContact O-CG2 3.45Å; T492-T495 PolarHBondContact O-N 3.28Å; T492-T495 PolarHBondContact O-OG1 2.93Å; D493-T495 VanDerWaalsContact C-N 3.35Å; D493-T495 PolarHBondContact O-N 3.16Å; T495-A497 PolarHBondContact O-N 2.87Å; T495-E498 PolarHBondContact O-N 3.28Å; T495-H499 PolarHBondContact O-CD2 3.43Å; T495-H499 PolarHBondContact O-N 3.41Å
496	H	93.5	Very high	92.6	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-47	-52.1	176.1	-56.9	107.1	0	0	0	113.5	E291 I482 M485 I490 G491 E498 H499 I500	E291-H496 IonicContact OE2-ND1 3.93Å; I482-H496 HydrophobicContact CG1-CB 4.35Å; I482-H496 HydrophobicContact CG2-CB 4.47Å; M485-H496 HydrophobicContact CE-CB 4.41Å; I490-H496 PolarHBondContact O-NE2 3.42Å; G491-H496 PolarHBondContact O-CD2 3.01Å; G491-H496 PolarHBondContact O-CE1 3.1Å; G491-H496 PolarHBondContact O-N 3.14Å; G491-H496 PolarHBondContact O-ND1 3.24Å; G491-H496 PolarHBondContact O-NE2 2.8Å; H496-E498 PolarHBondContact O-N 3.06Å; H496-H499 PolarHBondContact O-N 3.34Å; H496-I500 VanDerWaalsContact O-CG1 3.3Å; H496-I500 WeakPolarHBondContact O-CG1 3.37Å; H496-I500 PolarHBondContact O-N 2.93Å; H496-I500 VanDerWaalsContact O-N 3.07Å
497	A	92.7	Very high	92.4	Very high	5 Å²	5	46 Å²	46	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-34.6	-178.1	0	0	0	0	0	113.4	E291 A302 K303 T495 E501	E291-A497 WeakPolarHBondContact OE1-CB 3.36Å; A302-A497 HydrophobicContact CB-CB 3.84Å; K303-A497 HydrophobicContact CB-CB 4.34Å; T495-A497 PolarHBondContact O-N 2.87Å; A497-E501 WeakPolarHBondContact O-CB 3.42Å; A497-E501 PolarHBondContact O-N 3.46Å
498	E	92.9	Very high	92.3	Very high	108 Å²	108	37.6 Å²	37.6	51%	0.505	20%	0.195	S	C	.	.	H	α-helix	trans	-72.9	-44.6	-178.4	-175	171.4	175.1	0	0	112	T495 H496 E501 T502	T495-E498 PolarHBondContact O-N 3.28Å; H496-E498 PolarHBondContact O-N 3.06Å; E498-E501 PolarHBondContact O-N 2.76Å; E498-T502 WeakPolarHBondContact O-CB 3.43Å; E498-T502 PolarHBondContact O-N 3.44Å; E498-T502 PolarHBondContact O-OG1 2.94Å
499	H	94.8	Very high	92.2	Very high	21 Å²	21	35.9 Å²	35.9	10%	0.097	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-41.2	178.5	-59.8	-44.3	0	0	0	111.6	C213 M485 T495 H496 T502 I503	C213-H499 PolarHBondContact SG-CD2 2.68Å; M485-H499 HydrophobicContact CE-CB 4.07Å; T495-H499 PolarHBondContact O-CD2 3.43Å; T495-H499 PolarHBondContact O-N 3.41Å; H496-H499 PolarHBondContact O-N 3.34Å; H499-T502 WeakPolarHBondContact O-CB 3.48Å; H499-T502 PolarHBondContact O-N 2.89Å; H499-I503 PolarHBondContact O-N 2.96Å
500	I	96.9	Very high	92	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-43.5	174.6	-66.5	173.6	0	0	0	111	T217 E478 L481 I482 M485 H496 T502 I503 K504 F517	T217-I500 HydrophobicContact CG2-CG1 4.08Å; E478-I500 HydrophobicContact CG-CD1 4.31Å; E478-I500 HydrophobicContact CG-CG2 4.22Å; L481-I500 HydrophobicContact CD2-CD1 4.07Å; L481-I500 HydrophobicContact CD2-CG1 3.8Å; L481-I500 HydrophobicContact CD2-CG2 4.45Å; L481-I500 HydrophobicContact CG-CD1 4.15Å; L481-I500 HydrophobicContact CG-CG1 4.27Å; I482-I500 HydrophobicContact CD1-CD1 4.28Å; I482-I500 HydrophobicContact CG1-CD1 3.48Å; I482-I500 VanDerWaalsContact CG1-CD1 3.48Å; M485-I500 HydrophobicContact SD-CD1 4.05Å; M485-I500 HydrophobicContact SD-CG1 3.93Å; H496-I500 VanDerWaalsContact O-CG1 3.3Å; H496-I500 WeakPolarHBondContact O-CG1 3.37Å; H496-I500 PolarHBondContact O-N 2.93Å; H496-I500 VanDerWaalsContact O-N 3.07Å; I500-T502 VanDerWaalsContact C-N 3.26Å; I500-T502 PolarHBondContact O-N 3.38Å; I500-I503 WeakPolarHBondContact O-CG1 3.2Å; I500-I503 PolarHBondContact O-N 3.23Å; I500-K504 WeakPolarHBondContact O-CE 3.48Å; I500-K504 WeakPolarHBondContact O-CG 3.39Å; I500-K504 PolarHBondContact O-N 3.25Å; I500-F517 HydrophobicContact CG2-CE1 4.21Å; I500-F517 HydrophobicContact CG2-CE2 4.47Å; I500-F517 HydrophobicContact CG2-CZ 3.57Å
501	E	95.7	Very high	91.7	Very high	42 Å²	42	38.5 Å²	38.5	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-35	176.7	-170	59	-152.5	0	0	112	K303 A497 E498 K504 K505	K303-E501 HydrophobicContact CG-CG 4.35Å; A497-E501 WeakPolarHBondContact O-CB 3.42Å; A497-E501 PolarHBondContact O-N 3.46Å; E498-E501 PolarHBondContact O-N 2.76Å; E501-K504 PolarHBondContact O-N 3.23Å; E501-K504 WeakPolarHBondContact OE2-CE 3.42Å; E501-K504 IonicContact OE2-NZ 2.94Å; E501-K504 PolarHBondContact OE2-NZ 3.25Å; E501-K505 HydrophobicContact CG-CD 4.07Å; E501-K505 HydrophobicContact CG-CG 4.36Å; E501-K505 WeakPolarHBondContact O-CB 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.29Å; E501-K505 PolarHBondContact O-N 2.69Å; E501-K505 VanDerWaalsContact OE1-CE 3.27Å; E501-K505 WeakPolarHBondContact OE1-CE 3.41Å
502	T	95.2	Very high	91.5	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-46.6	179.6	-58.1	0	0	0	0	111.8	Q214 E498 H499 I500 K504 K505 R506	Q214-T502 VanDerWaalsContact CD-CG2 3.46Å; Q214-T502 HydrophobicContact CG-CG2 3.97Å; E498-T502 WeakPolarHBondContact O-CB 3.43Å; E498-T502 PolarHBondContact O-N 3.44Å; E498-T502 PolarHBondContact O-OG1 2.94Å; H499-T502 WeakPolarHBondContact O-CB 3.48Å; H499-T502 PolarHBondContact O-N 2.89Å; I500-T502 VanDerWaalsContact C-N 3.26Å; I500-T502 PolarHBondContact O-N 3.38Å; T502-K504 VanDerWaalsContact C-N 3.28Å; T502-K504 PolarHBondContact O-N 2.78Å; T502-K505 PolarHBondContact O-N 2.72Å; T502-R506 HydrophobicContact CG2-CG 4.26Å; T502-R506 WeakPolarHBondContact O-CB 3.33Å; T502-R506 VanDerWaalsContact O-CG 3.23Å; T502-R506 WeakPolarHBondContact O-CG 3.25Å; T502-R506 PolarHBondContact O-N 3.43Å
503	I	96.4	Very high	91.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-31.7	178	59.8	166.5	0	0	0	112.6	Q214 T217 L218 V221 L481 H499 I500 L507 Y508 V509	Q214-I503 HydrophobicContact CG-CG2 3.45Å; Q214-I503 VanDerWaalsContact CG-CG2 3.45Å; Q214-I503 WeakPolarHBondContact O-CG2 3.42Å; T217-I503 HydrophobicContact CG2-CD1 3.88Å; L218-I503 HydrophobicContact CB-CG2 4.19Å; V221-I503 HydrophobicContact CG2-CD1 4.47Å; L481-I503 HydrophobicContact CD2-CD1 4.32Å; H499-I503 PolarHBondContact O-N 2.96Å; I500-I503 WeakPolarHBondContact O-CG1 3.2Å; I500-I503 PolarHBondContact O-N 3.23Å; I503-L507 PolarHBondContact O-N 3.48Å; I503-Y508 PolarHBondContact O-N 3.13Å; I503-Y508 VanDerWaalsContact O-N 3.11Å; I503-V509 HydrophobicContact CB-CG2 4.23Å; I503-V509 HydrophobicContact CD1-CG1 4.06Å; I503-V509 HydrophobicContact CD1-CG2 3.83Å; I503-V509 HydrophobicContact CG1-CG2 3.82Å; I503-V509 PolarHBondContact O-N 3.45Å
504	K	93	Very high	91.5	Very high	34 Å²	34	51.2 Å²	51.2	15%	0.148	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-53.1	172.5	-72.7	-178.5	-64	-174	0	111	E478 I500 E501 T502 R506 L507 V509 L511 F517	E478-K504 IonicContact OE1-NZ 2.99Å; E478-K504 PolarHBondContact OE1-NZ 2.7Å; I500-K504 WeakPolarHBondContact O-CE 3.48Å; I500-K504 WeakPolarHBondContact O-CG 3.39Å; I500-K504 PolarHBondContact O-N 3.25Å; E501-K504 PolarHBondContact O-N 3.23Å; E501-K504 WeakPolarHBondContact OE2-CE 3.42Å; E501-K504 IonicContact OE2-NZ 2.94Å; E501-K504 PolarHBondContact OE2-NZ 3.25Å; T502-K504 VanDerWaalsContact C-N 3.28Å; T502-K504 PolarHBondContact O-N 2.78Å; K504-R506 PolarHBondContact O-N 2.86Å; K504-L507 PolarHBondContact O-N 3.41Å; K504-V509 HydrophobicContact CG-CG2 3.9Å; K504-L511 HydrophobicContact CD-CD1 4.42Å; K504-F517 HydrophobicContact CD-CE1 3.94Å; K504-F517 HydrophobicContact CG-CE1 3.92Å
505	K	92.2	Very high	91.8	Very high	149 Å²	149	54.1 Å²	54.1	65%	0.648	26%	0.264	S	S	*	.	H	α-helix	trans	-60.7	-33.2	-179.4	-76.6	-179.6	176.5	177.2	0	113	E501 T502 L507	E501-K505 HydrophobicContact CG-CD 4.07Å; E501-K505 HydrophobicContact CG-CG 4.36Å; E501-K505 WeakPolarHBondContact O-CB 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.29Å; E501-K505 PolarHBondContact O-N 2.69Å; E501-K505 VanDerWaalsContact OE1-CE 3.27Å; E501-K505 WeakPolarHBondContact OE1-CE 3.41Å; T502-K505 PolarHBondContact O-N 2.72Å; K505-L507 PolarHBondContact O-N 2.72Å
506	R	90.2	Very high	92.1	Very high	96 Å²	96	56 Å²	56	36%	0.362	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.1	176.1	-65.9	-66.4	-176.5	-159	-1.1	113.9	S209 T502 K504 Y508	S209-R506 WeakPolarHBondContact OG-CD 3.44Å; S209-R506 WeakPolarHBondContact OG-CG 3.46Å; S209-R506 PolarHBondContact OG-NE 3.05Å; T502-R506 HydrophobicContact CG2-CG 4.26Å; T502-R506 WeakPolarHBondContact O-CB 3.33Å; T502-R506 VanDerWaalsContact O-CG 3.23Å; T502-R506 WeakPolarHBondContact O-CG 3.25Å; T502-R506 PolarHBondContact O-N 3.43Å; K504-R506 PolarHBondContact O-N 2.86Å; R506-Y508 HydrophobicContact CB-CD1 4.2Å; R506-Y508 HydrophobicContact CB-CD2 4.16Å; R506-Y508 HydrophobicContact CB-CE1 4.17Å; R506-Y508 HydrophobicContact CB-CE2 4.18Å; R506-Y508 HydrophobicContact CB-CG 4.18Å; R506-Y508 PolarHBondContact O-N 3.17Å
507	L	89.9	Confident	92.2	Very high	96 Å²	96	55.8 Å²	55.8	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	26.1	-179.1	-50.1	173.8	0	0	0	113.1	I503 K504 K505 V509	I503-L507 PolarHBondContact O-N 3.48Å; K504-L507 PolarHBondContact O-N 3.41Å; K505-L507 PolarHBondContact O-N 2.72Å; L507-V509 VanDerWaalsContact C-N 3.27Å
508	Y	93.9	Very high	92.3	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	28%	0.276	C	S	.	.	S	Bend	trans	-75.1	-26.6	170.3	-63.3	-16	0	0	0	111.2	I208 S209 L218 I503 R506 G520 L522 L526	I208-Y508 VanDerWaalsContact C-OH 3.25Å; I208-Y508 WeakPolarHBondContact CA-OH 3.22Å; I208-Y508 HydrophobicContact CG2-CE1 4.48Å; I208-Y508 WeakPolarHBondContact CG2-OH 3.21Å; S209-Y508 PolarHBondContact N-OH 3.49Å; S209-Y508 WeakPolarHBondContact O-CE2 3.49Å; S209-Y508 PolarHBondContact O-OH 3.35Å; L218-Y508 HydrophobicContact CD2-CD2 3.88Å; L218-Y508 HydrophobicContact CD2-CG 4.17Å; I503-Y508 PolarHBondContact O-N 3.13Å; I503-Y508 VanDerWaalsContact O-N 3.11Å; R506-Y508 HydrophobicContact CB-CD1 4.2Å; R506-Y508 HydrophobicContact CB-CD2 4.16Å; R506-Y508 HydrophobicContact CB-CE1 4.17Å; R506-Y508 HydrophobicContact CB-CE2 4.18Å; R506-Y508 HydrophobicContact CB-CG 4.18Å; R506-Y508 PolarHBondContact O-N 3.17Å; Y508-G520 PolarHBondContact O-N 2.95Å; Y508-L522 HydrophobicContact CD1-CD2 4.1Å; Y508-L522 HydrophobicContact CD1-CG 4.14Å; Y508-L522 HydrophobicContact CE1-CD2 3.66Å; Y508-L522 HydrophobicContact CE1-CG 3.91Å; Y508-L526 HydrophobicContact CD1-CD1 4.38Å; Y508-L526 HydrophobicContact CE1-CD1 3.8Å; Y508-L526 HydrophobicContact CE2-CD1 4.18Å
509	V	93.6	Very high	92.3	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148	172	-57.3	0	0	0	0	110	L218 V221 I503 K504 L507 F517 L518	L218-V509 HydrophobicContact CD1-CG1 3.68Å; V221-V509 HydrophobicContact CB-CG1 4.19Å; V221-V509 HydrophobicContact CG1-CG1 3.8Å; V221-V509 HydrophobicContact CG2-CG1 4.31Å; I503-V509 HydrophobicContact CB-CG2 4.23Å; I503-V509 HydrophobicContact CD1-CG1 4.06Å; I503-V509 HydrophobicContact CD1-CG2 3.83Å; I503-V509 HydrophobicContact CG1-CG2 3.82Å; I503-V509 PolarHBondContact O-N 3.45Å; K504-V509 HydrophobicContact CG-CG2 3.9Å; L507-V509 VanDerWaalsContact C-N 3.27Å; V509-F517 HydrophobicContact CB-CD1 4.13Å; V509-F517 HydrophobicContact CG2-CD1 3.69Å; V509-F517 HydrophobicContact CG2-CE1 4.1Å; V509-L518 CarbonylContact C-O 3.02Å; V509-L518 VanDerWaalsContact CA-O 3.31Å; V509-L518 WeakPolarHBondContact CA-O 3.45Å
510	G	91	Very high	92.1	Very high	14 Å²	14	52 Å²	52	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	173.4	161.8	0	0	0	0	0	110.8	F517 L518	G510-F517 WeakPolarHBondContact O-CA 3.32Å; G510-L518 PolarHBondContact N-O 3.26Å; G510-L518 PolarHBondContact O-N 3Å
511	L	89.9	Confident	91.7	Very high	69 Å²	69	57.6 Å²	57.6	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.4	170.9	-67.2	175.8	0	0	0	109.6	K504 R516 F517 F699	K504-L511 HydrophobicContact CD-CD1 4.42Å; L511-R516 CarbonylContact C-O 3.56Å; L511-R516 WeakPolarHBondContact CA-O 3.48Å; L511-F517 HydrophobicContact CD2-CD1 3.57Å; L511-F517 HydrophobicContact CD2-CE1 3.63Å; L511-F517 HydrophobicContact CD2-CG 4.21Å; L511-F517 HydrophobicContact CD2-CZ 4.3Å; L511-F699 WeakPolarHBondContact O-CZ 3.19Å
512	T	87.9	Confident	91.6	Very high	28 Å²	28	56.6 Å²	56.6	17%	0.172	27%	0.269	C	S	.	.			trans	-70.1	170.6	167.8	68.1	0	0	0	0	111.1	L475 E514 N515 R516 L518 F699	L475-T512 HydrophobicContact CD1-CG2 4.12Å; T512-E514 PolarHBondContact O-N 3.22Å; T512-E514 VanDerWaalsContact O-N 3.12Å; T512-E514 PolarHBondContact OG1-N 2.78Å; T512-N515 WeakPolarHBondContact O-CA 3.35Å; T512-N515 PolarHBondContact O-N 2.87Å; T512-R516 PolarHBondContact N-O 3.33Å; T512-R516 PolarHBondContact OG1-N 2.9Å; T512-R516 VanDerWaalsContact OG1-N 3.15Å; T512-R516 PolarHBondContact OG1-O 3.41Å; T512-L518 HydrophobicContact CG2-CB 4.2Å; T512-F699 HydrophobicContact CG2-CE1 4.32Å; T512-F699 HydrophobicContact CG2-CZ 4.43Å
513	E	82.7	Confident	91.6	Very high	188 Å²	188	54.7 Å²	54.7	88%	0.879	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.6	173.5	-60.4	-172	167.3	0	0	112.9	N515	E513-N515 VanDerWaalsContact C-N 3.28Å; E513-N515 PolarHBondContact O-N 3.11Å
514	E	87.1	Confident	91.4	Very high	144 Å²	144	54.9 Å²	54.9	67%	0.673	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	7.6	175.6	-61.2	179.1	-176.5	0	0	113.4	T512 R516	T512-E514 PolarHBondContact O-N 3.22Å; T512-E514 VanDerWaalsContact O-N 3.12Å; T512-E514 PolarHBondContact OG1-N 2.78Å; E514-R516 VanDerWaalsContact C-N 3.32Å; E514-R516 HydrophobicContact CB-CG 4.34Å; E514-R516 PolarHBondContact O-N 3.4Å; E514-R516 IonicContact OE2-NE 3.91Å
515	N	89.8	Confident	91.5	Very high	75 Å²	75	53.3 Å²	53.3	40%	0.401	25%	0.252	S	S	.	.	S	Bend	trans	57.1	39.5	-173.2	-65.2	-31.9	0	0	0	113.6	T512 E513	T512-N515 WeakPolarHBondContact O-CA 3.35Å; T512-N515 PolarHBondContact O-N 2.87Å; E513-N515 VanDerWaalsContact C-N 3.28Å; E513-N515 PolarHBondContact O-N 3.11Å
516	R	94.9	Very high	91.7	Very high	59 Å²	59	46.2 Å²	46.2	22%	0.223	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-103.9	146.6	171.3	-61.3	179.6	174.9	-77.8	-1.9	110.6	L475 L476 E480 L511 T512 E514 L518	L475-R516 HydrophobicContact CB-CB 3.83Å; L475-R516 WeakPolarHBondContact O-CD 3.38Å; L475-R516 PolarHBondContact O-NH1 3.05Å; L476-R516 CarbonylContact O-C 3.57Å; L476-R516 VanDerWaalsContact O-CA 3.32Å; L476-R516 WeakPolarHBondContact O-CA 3.3Å; E480-R516 IonicContact OE2-NH1 3.81Å; E480-R516 PolarHBondContact OE2-NH1 3.22Å; E480-R516 VanDerWaalsContact OE2-NH1 3.08Å; L511-R516 CarbonylContact C-O 3.56Å; L511-R516 WeakPolarHBondContact CA-O 3.48Å; T512-R516 PolarHBondContact N-O 3.33Å; T512-R516 PolarHBondContact OG1-N 2.9Å; T512-R516 VanDerWaalsContact OG1-N 3.15Å; T512-R516 PolarHBondContact OG1-O 3.41Å; E514-R516 VanDerWaalsContact C-N 3.32Å; E514-R516 HydrophobicContact CB-CG 4.34Å; E514-R516 PolarHBondContact O-N 3.4Å; E514-R516 IonicContact OE2-NE 3.91Å; R516-L518 PolarHBondContact O-N 3.25Å
517	F	95.8	Very high	92	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.5	179.7	-66.6	-70	0	0	0	111.6	V221 L476 E478 L481 I500 K504 V509 G510 L511	V221-F517 HydrophobicContact CB-CB 4.43Å; V221-F517 HydrophobicContact CG1-CB 3.61Å; V221-F517 HydrophobicContact CG2-CB 3.89Å; V221-F517 HydrophobicContact CG2-CD2 4.29Å; V221-F517 HydrophobicContact CG2-CG 4.15Å; L476-F517 HydrophobicContact CB-CD2 4.35Å; L476-F517 WeakPolarHBondContact O-CD2 3.44Å; L476-F517 PolarHBondContact O-N 3.2Å; E478-F517 HydrophobicContact CB-CE2 4.1Å; E478-F517 HydrophobicContact CB-CZ 4.21Å; E478-F517 HydrophobicContact CG-CE2 4.43Å; E478-F517 HydrophobicContact CG-CZ 4.23Å; L481-F517 HydrophobicContact CB-CD2 4.34Å; L481-F517 HydrophobicContact CB-CE2 3.96Å; L481-F517 HydrophobicContact CD2-CD2 3.83Å; L481-F517 HydrophobicContact CD2-CE2 3.38Å; L481-F517 HydrophobicContact CD2-CZ 3.92Å; L481-F517 HydrophobicContact CG-CE2 4.33Å; I500-F517 HydrophobicContact CG2-CE1 4.21Å; I500-F517 HydrophobicContact CG2-CE2 4.47Å; I500-F517 HydrophobicContact CG2-CZ 3.57Å; K504-F517 HydrophobicContact CD-CE1 3.94Å; K504-F517 HydrophobicContact CG-CE1 3.92Å; V509-F517 HydrophobicContact CB-CD1 4.13Å; V509-F517 HydrophobicContact CG2-CD1 3.69Å; V509-F517 HydrophobicContact CG2-CE1 4.1Å; G510-F517 WeakPolarHBondContact O-CA 3.32Å; L511-F517 HydrophobicContact CD2-CD1 3.57Å; L511-F517 HydrophobicContact CD2-CE1 3.63Å; L511-F517 HydrophobicContact CD2-CG 4.21Å; L511-F517 HydrophobicContact CD2-CZ 4.3Å
518	L	94.4	Very high	92.3	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.225	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.2	169.6	-177.2	72.5	0	0	0	107.7	Y225 L475 V509 G510 T512 R516 F699	Y225-L518 HydrophobicContact CD2-CD1 3.95Å; Y225-L518 HydrophobicContact CE2-CD1 3.85Å; L475-L518 HydrophobicContact CD1-CB 4.35Å; L475-L518 HydrophobicContact CD1-CD1 3.79Å; V509-L518 CarbonylContact C-O 3.02Å; V509-L518 VanDerWaalsContact CA-O 3.31Å; V509-L518 WeakPolarHBondContact CA-O 3.45Å; G510-L518 PolarHBondContact N-O 3.26Å; G510-L518 PolarHBondContact O-N 3Å; T512-L518 HydrophobicContact CG2-CB 4.2Å; R516-L518 PolarHBondContact O-N 3.25Å; L518-F699 HydrophobicContact CD2-CE1 4.26Å; L518-F699 HydrophobicContact CD2-CZ 4.38Å
519	P	93.2	Very high	92.4	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137	177.4	31.7	-34.9	0	0	0	110.1	V221 V222 Y225 L524	V221-P519 HydrophobicContact CG1-CB 4.26Å; V221-P519 HydrophobicContact CG1-CG 4.49Å; V222-P519 HydrophobicContact CG2-CB 3.89Å; V222-P519 HydrophobicContact CG2-CG 4.46Å; Y225-P519 HydrophobicContact CD1-CG 3.88Å; Y225-P519 HydrophobicContact CD2-CG 3.95Å; Y225-P519 HydrophobicContact CG-CG 3.52Å; P519-L524 HydrophobicContact CB-CD2 4.19Å; P519-L524 HydrophobicContact CB-CG 3.99Å; P519-L524 HydrophobicContact CG-CD1 4.32Å; P519-L524 HydrophobicContact CG-CD2 3.85Å; P519-L524 HydrophobicContact CG-CG 3.97Å
520	G	89.6	Confident	92.5	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	19%	0.188	C	C	.	.			trans	-78.4	163.6	169.8	0	0	0	0	0	110.8	Y508 L522 G523 L524	Y508-G520 PolarHBondContact O-N 2.95Å; G520-L522 VanDerWaalsContact C-N 3.27Å; G520-L522 PolarHBondContact O-N 3.14Å; G520-G523 WeakPolarHBondContact O-CA 3.26Å; G520-G523 PolarHBondContact O-N 3.4Å; G520-L524 PolarHBondContact O-N 3.08Å
521	Y	90.4	Very high	92.7	Very high	119 Å²	119	40.9 Å²	40.9	47%	0.467	20%	0.195	S	C	.	.	H	α-helix	trans	-56.7	-36.9	179.9	-67.2	-16.2	0	0	0	114.1	L524 G525 Y592	Y521-L524 HydrophobicContact CD1-CD1 4.36Å; Y521-G525 PolarHBondContact O-N 2.8Å; Y521-Y592 HydrophobicContact CD1-CD1 4.14Å; Y521-Y592 HydrophobicContact CG-CD1 4.48Å
522	L	92.7	Very high	92.9	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-41.7	173.2	-178.7	57.5	0	0	0	111.6	L203 I208 Y508 G520 L526 L589 F593	L203-L522 HydrophobicContact CD1-CD1 4.3Å; L203-L522 HydrophobicContact CD2-CD1 4.36Å; L203-L522 HydrophobicContact CD2-CD2 4.19Å; I208-L522 HydrophobicContact CG1-CD1 4.5Å; I208-L522 HydrophobicContact CG1-CD2 4.2Å; I208-L522 HydrophobicContact CG2-CD1 4.2Å; I208-L522 HydrophobicContact CG2-CD2 4.39Å; Y508-L522 HydrophobicContact CD1-CD2 4.1Å; Y508-L522 HydrophobicContact CD1-CG 4.14Å; Y508-L522 HydrophobicContact CE1-CD2 3.66Å; Y508-L522 HydrophobicContact CE1-CG 3.91Å; G520-L522 VanDerWaalsContact C-N 3.27Å; G520-L522 PolarHBondContact O-N 3.14Å; L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CG 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.07Å; L522-L526 HydrophobicContact CG-CG 4.47Å; L522-L526 WeakPolarHBondContact O-CB 3.44Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 2.89Å; L522-L589 HydrophobicContact CD1-CD2 3.79Å; L522-F593 HydrophobicContact CB-CZ 4.22Å
523	G	94.7	Very high	93.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-44.3	177.9	0	0	0	0	0	112.4	G520 V527	G520-G523 WeakPolarHBondContact O-CA 3.26Å; G520-G523 PolarHBondContact O-N 3.4Å; G523-V527 PolarHBondContact O-N 2.84Å; G523-V527 VanDerWaalsContact O-N 3.14Å
524	L	93.1	Very high	93.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-60.1	-55.7	174.5	-75.7	167.2	0	0	0	111.5	V222 Y225 P519 G520 Y521 L526 V527 D528 Y592	V222-L524 HydrophobicContact CB-CD2 4.47Å; V222-L524 HydrophobicContact CG1-CD2 3.84Å; V222-L524 HydrophobicContact CG2-CD2 4.13Å; Y225-L524 HydrophobicContact CD1-CD1 4.43Å; Y225-L524 HydrophobicContact CD1-CD2 3.7Å; Y225-L524 HydrophobicContact CE1-CD1 3.95Å; Y225-L524 HydrophobicContact CE1-CD2 3.96Å; P519-L524 HydrophobicContact CB-CD2 4.19Å; P519-L524 HydrophobicContact CB-CG 3.99Å; P519-L524 HydrophobicContact CG-CD1 4.32Å; P519-L524 HydrophobicContact CG-CD2 3.85Å; P519-L524 HydrophobicContact CG-CG 3.97Å; G520-L524 PolarHBondContact O-N 3.08Å; Y521-L524 HydrophobicContact CD1-CD1 4.36Å; L524-L526 VanDerWaalsContact C-N 3.28Å; L524-L526 PolarHBondContact O-N 2.58Å; L524-V527 PolarHBondContact O-N 3.41Å; L524-V527 VanDerWaalsContact O-N 3.15Å; L524-D528 WeakPolarHBondContact O-CB 3.29Å; L524-D528 PolarHBondContact O-N 3.35Å; L524-Y592 HydrophobicContact CB-CE1 4.07Å; L524-Y592 HydrophobicContact CB-CE2 3.97Å; L524-Y592 HydrophobicContact CD1-CE1 4.01Å
525	G	94.8	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-35.5	-177.9	0	0	0	0	0	113.4	Y521 G529 L589	Y521-G525 PolarHBondContact O-N 2.8Å; G525-G529 WeakPolarHBondContact O-CA 3.11Å; G525-G529 PolarHBondContact O-N 3.28Å; G525-L589 VanDerWaalsContact C-CD1 3.48Å; G525-L589 WeakPolarHBondContact O-CD1 3.37Å
526	L	96.6	Very high	93.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-53.1	173.1	-71.7	170.8	0	0	0	111.1	L195 I208 F215 Y508 L522 L524 D528 G529 Y530 L585	L195-L526 HydrophobicContact CD1-CD2 3.98Å; I208-L526 HydrophobicContact CG2-CD1 3.78Å; I208-L526 HydrophobicContact CG2-CD2 4.01Å; I208-L526 HydrophobicContact CG2-CG 4.43Å; F215-L526 HydrophobicContact CE2-CB 4.04Å; Y508-L526 HydrophobicContact CD1-CD1 4.38Å; Y508-L526 HydrophobicContact CE1-CD1 3.8Å; Y508-L526 HydrophobicContact CE2-CD1 4.18Å; L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CG 4.07Å; L522-L526 HydrophobicContact CG-CD1 4.07Å; L522-L526 HydrophobicContact CG-CG 4.47Å; L522-L526 WeakPolarHBondContact O-CB 3.44Å; L522-L526 WeakPolarHBondContact O-CG 3.47Å; L522-L526 PolarHBondContact O-N 2.89Å; L524-L526 VanDerWaalsContact C-N 3.28Å; L524-L526 PolarHBondContact O-N 2.58Å; L526-D528 VanDerWaalsContact C-N 3.35Å; L526-D528 PolarHBondContact O-N 2.96Å; L526-G529 PolarHBondContact O-N 2.83Å; L526-Y530 HydrophobicContact CD2-CE2 4.45Å; L526-Y530 VanDerWaalsContact O-CD2 3.27Å; L526-Y530 WeakPolarHBondContact O-CD2 3.47Å; L526-Y530 PolarHBondContact O-N 2.97Å; L526-L585 HydrophobicContact CD2-CD1 4.17Å
527	V	97	Very high	92.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-47.8	-179.4	170.3	0	0	0	0	111	F215 L218 V222 G523 L524 G529 Y530 E531	F215-V527 HydrophobicContact CE2-CG2 4.27Å; F215-V527 HydrophobicContact CZ-CG2 4.19Å; L218-V527 HydrophobicContact CD2-CG2 3.9Å; L218-V527 HydrophobicContact CG-CG2 3.86Å; V222-V527 HydrophobicContact CB-CB 4.23Å; V222-V527 HydrophobicContact CB-CG1 4.08Å; V222-V527 HydrophobicContact CB-CG2 4.17Å; V222-V527 HydrophobicContact CG1-CB 3.97Å; V222-V527 HydrophobicContact CG1-CG1 3.67Å; V222-V527 HydrophobicContact CG1-CG2 4.47Å; V222-V527 HydrophobicContact CG2-CB 4.11Å; V222-V527 HydrophobicContact CG2-CG2 3.81Å; G523-V527 PolarHBondContact O-N 2.84Å; G523-V527 VanDerWaalsContact O-N 3.14Å; L524-V527 PolarHBondContact O-N 3.41Å; L524-V527 VanDerWaalsContact O-N 3.15Å; V527-G529 VanDerWaalsContact C-N 3.32Å; V527-G529 PolarHBondContact O-N 2.87Å; V527-Y530 PolarHBondContact O-N 2.93Å; V527-E531 HydrophobicContact CG1-CG 4.34Å; V527-E531 WeakPolarHBondContact O-CB 3.35Å; V527-E531 WeakPolarHBondContact O-CG 3.48Å; V527-E531 PolarHBondContact O-N 3.42Å
528	D	95.1	Very high	92.7	Very high	37 Å²	37	26.2 Å²	26.2	20%	0.198	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-40.3	179.2	-72.4	22.6	0	0	0	111.7	K226 L524 L526 E531 S532 A588 Y592	K226-D528 WeakPolarHBondContact CE-OD1 3.18Å; K226-D528 IonicContact NZ-OD1 3.56Å; K226-D528 PolarHBondContact NZ-OD1 3.12Å; K226-D528 IonicContact NZ-OD2 3.08Å; L524-D528 WeakPolarHBondContact O-CB 3.29Å; L524-D528 PolarHBondContact O-N 3.35Å; L526-D528 VanDerWaalsContact C-N 3.35Å; L526-D528 PolarHBondContact O-N 2.96Å; D528-E531 PolarHBondContact O-N 2.96Å; D528-S532 VanDerWaalsContact O-CB 3.26Å; D528-S532 WeakPolarHBondContact O-CB 3.35Å; D528-S532 PolarHBondContact O-N 2.7Å; D528-S532 PolarHBondContact O-OG 2.91Å; D528-A588 HydrophobicContact CB-CB 4.21Å; D528-Y592 PolarHBondContact OD2-OH 2.87Å
529	G	96.1	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-52.1	176.5	0	0	0	0	0	112.3	G525 L526 V527 E531 S532 I533 A588	G525-G529 WeakPolarHBondContact O-CA 3.11Å; G525-G529 PolarHBondContact O-N 3.28Å; L526-G529 PolarHBondContact O-N 2.83Å; V527-G529 VanDerWaalsContact C-N 3.32Å; V527-G529 PolarHBondContact O-N 2.87Å; G529-E531 PolarHBondContact O-N 2.91Å; G529-S532 PolarHBondContact O-N 2.89Å; G529-S532 PolarHBondContact O-OG 3.49Å; G529-I533 WeakPolarHBondContact O-CG1 3.48Å; G529-I533 PolarHBondContact O-N 3.15Å; G529-I533 VanDerWaalsContact O-N 3.15Å; G529-A588 VanDerWaalsContact CA-CB 3.46Å
530	Y	96.5	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-39.1	178.1	-81.2	-90.3	0	0	0	112.4	F187 Q191 F215 L526 V527 I533 C535 M537 V578 L585	F187-Y530 HydrophobicContact CD1-CE1 4.08Å; F187-Y530 HydrophobicContact CE1-CE1 4.14Å; Q191-Y530 PolarHBondContact OE1-OH 3.19Å; F215-Y530 HydrophobicContact CE1-CD1 4.45Å; F215-Y530 AromaticContact CE1-CD2 3.94Å; F215-Y530 HydrophobicContact CE1-CD2 3.94Å; F215-Y530 AromaticContact CE1-CG 3.83Å; F215-Y530 HydrophobicContact CE1-CG 3.83Å; F215-Y530 HydrophobicContact CE2-CD2 4.06Å; F215-Y530 HydrophobicContact CE2-CE2 4.34Å; F215-Y530 AromaticContact CZ-CD2 3.36Å; F215-Y530 HydrophobicContact CZ-CD2 3.36Å; F215-Y530 HydrophobicContact CZ-CE2 4.03Å; F215-Y530 AromaticContact CZ-CG 3.72Å; F215-Y530 HydrophobicContact CZ-CG 3.72Å; L526-Y530 HydrophobicContact CD2-CE2 4.45Å; L526-Y530 VanDerWaalsContact O-CD2 3.27Å; L526-Y530 WeakPolarHBondContact O-CD2 3.47Å; L526-Y530 PolarHBondContact O-N 2.97Å; V527-Y530 PolarHBondContact O-N 2.93Å; Y530-I533 PolarHBondContact O-N 3.34Å; Y530-C535 CarbonylContact C-O 3.57Å; Y530-C535 PolarHBondContact O-N 3.04Å; Y530-C535 VanDerWaalsContact O-N 3.15Å; Y530-M537 HydrophobicContact CD1-CE 4.35Å; Y530-M537 HydrophobicContact CD1-SD 3.67Å; Y530-M537 HydrophobicContact CE1-CE 4.03Å; Y530-M537 HydrophobicContact CE1-SD 3.82Å; Y530-V578 HydrophobicContact CD1-CG2 3.78Å; Y530-V578 HydrophobicContact CE1-CB 4.41Å; Y530-V578 HydrophobicContact CE1-CG1 3.91Å; Y530-V578 HydrophobicContact CE1-CG2 3.63Å; Y530-L585 HydrophobicContact CD2-CD1 4.17Å; Y530-L585 HydrophobicContact CE2-CD1 4.27Å
531	E	94.6	Very high	93.2	Very high	60 Å²	60	32.9 Å²	32.9	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-43.3	173.7	-75	177.5	173.5	0	0	111.3	K226 V527 D528 G529 I533 G534 S538	K226-E531 IonicContact NZ-OE2 3.35Å; K226-E531 PolarHBondContact NZ-OE2 2.78Å; V527-E531 HydrophobicContact CG1-CG 4.34Å; V527-E531 WeakPolarHBondContact O-CB 3.35Å; V527-E531 WeakPolarHBondContact O-CG 3.48Å; V527-E531 PolarHBondContact O-N 3.42Å; D528-E531 PolarHBondContact O-N 2.96Å; G529-E531 PolarHBondContact O-N 2.91Å; E531-I533 PolarHBondContact O-N 3.24Å; E531-G534 PolarHBondContact O-N 3.47Å; E531-S538 WeakPolarHBondContact CG-OG 3.35Å; E531-S538 PolarHBondContact OE1-OG 3.02Å
532	S	94.2	Very high	93.4	Very high	53 Å²	53	28.9 Å²	28.9	37%	0.371	17%	0.168	S	C	.	.	H	α-helix	trans	-66.8	-23.1	179.3	76.4	0	0	0	0	113.9	D528 G529 G534 R584	D528-S532 VanDerWaalsContact O-CB 3.26Å; D528-S532 WeakPolarHBondContact O-CB 3.35Å; D528-S532 PolarHBondContact O-N 2.7Å; D528-S532 PolarHBondContact O-OG 2.91Å; G529-S532 PolarHBondContact O-N 2.89Å; G529-S532 PolarHBondContact O-OG 3.49Å; S532-G534 PolarHBondContact O-N 3.28Å; S532-R584 WeakPolarHBondContact O-CD 3.19Å; S532-R584 PolarHBondContact O-NH1 3.42Å; S532-R584 WeakPolarHBondContact OG-CB 3.43Å
533	I	94.4	Very high	93.6	Very high	16 Å²	16	28.1 Å²	28.1	8%	0.082	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.3	172.4	-66.7	165.2	0	0	0	111	G529 Y530 E531 V578 R584 L585	G529-I533 WeakPolarHBondContact O-CG1 3.48Å; G529-I533 PolarHBondContact O-N 3.15Å; G529-I533 VanDerWaalsContact O-N 3.15Å; Y530-I533 PolarHBondContact O-N 3.34Å; E531-I533 PolarHBondContact O-N 3.24Å; I533-V578 HydrophobicContact CD1-CG1 4.35Å; I533-V578 HydrophobicContact CD1-CG2 4.25Å; I533-V578 HydrophobicContact CG2-CG2 4.34Å; I533-R584 HydrophobicContact CG1-CB 3.91Å; I533-L585 HydrophobicContact CD1-CB 4.48Å
534	G	88.8	Confident	93.7	Very high	57 Å²	57	29.2 Å²	29.2	59%	0.588	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	26	-170.3	0	0	0	0	0	112.1	E531 S532	E531-G534 PolarHBondContact O-N 3.47Å; S532-G534 PolarHBondContact O-N 3.28Å
535	C	84	Confident	93.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	19%	0.189	C	C	.	.			trans	-104.6	104.3	173.5	-69.4	0	0	0	0	109.2	Y530 M537 L574	Y530-C535 CarbonylContact C-O 3.57Å; Y530-C535 PolarHBondContact O-N 3.04Å; Y530-C535 VanDerWaalsContact O-N 3.15Å; C535-M537 HydrophobicContact CB-CG 4Å; C535-M537 HydrophobicContact CB-SD 3.97Å; C535-M537 PolarHBondContact O-N 3.34Å; C535-L574 HydrophobicContact CB-CD2 4.31Å
536	D	84.2	Confident	94	Very high	117 Å²	117	32.7 Å²	32.7	63%	0.626	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-70.5	37.7	174.5	-70.9	-26.5	0	0	0	112.9	S538 K539	D536-S538 PolarHBondContact O-N 3.15Å; D536-K539 HydrophobicContact CB-CB 4.25Å; D536-K539 HydrophobicContact CB-CG 4.08Å; D536-K539 WeakPolarHBondContact O-CB 3.4Å; D536-K539 PolarHBondContact O-N 3.4Å; D536-K539 VanDerWaalsContact O-N 3.08Å
537	M	90.2	Very high	94	Very high	9 Å²	9	33 Å²	33	4%	0.044	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-70.5	-23.3	178.9	-67.9	174.2	70	0	0	112	F187 Y210 F215 Y530 C535 L574 V578	F187-M537 HydrophobicContact CD1-CE 4.12Å; F187-M537 HydrophobicContact CD2-CE 4.46Å; F187-M537 HydrophobicContact CE1-CE 3.62Å; F187-M537 HydrophobicContact CE1-SD 4.15Å; F187-M537 HydrophobicContact CE2-CE 4.01Å; F187-M537 HydrophobicContact CZ-CE 3.54Å; F187-M537 HydrophobicContact CZ-SD 4.23Å; Y210-M537 HydrophobicContact CD2-CE 4.37Å; Y210-M537 HydrophobicContact CE1-CE 4.15Å; Y210-M537 HydrophobicContact CE2-CE 3.4Å; Y210-M537 WeakPolarHBondContact OH-CE 3.49Å; F215-M537 HydrophobicContact CD1-CB 3.86Å; F215-M537 WeakPolarHBondContact CD1-O 3.44Å; F215-M537 HydrophobicContact CE1-CB 3.96Å; Y530-M537 HydrophobicContact CD1-CE 4.35Å; Y530-M537 HydrophobicContact CD1-SD 3.67Å; Y530-M537 HydrophobicContact CE1-CE 4.03Å; Y530-M537 HydrophobicContact CE1-SD 3.82Å; C535-M537 HydrophobicContact CB-CG 4Å; C535-M537 HydrophobicContact CB-SD 3.97Å; C535-M537 PolarHBondContact O-N 3.34Å; M537-L574 HydrophobicContact CG-CD1 3.99Å; M537-L574 HydrophobicContact CG-CD2 4.47Å; M537-L574 HydrophobicContact SD-CB 4.11Å; M537-L574 HydrophobicContact SD-CD1 4.25Å; M537-V578 HydrophobicContact SD-CG2 4.39Å
538	S	91.8	Very high	93.9	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.021	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.9	-17.5	170.8	65.8	0	0	0	0	112.3	P216 E531 D536	P216-S538 WeakPolarHBondContact CA-O 3.37Å; E531-S538 WeakPolarHBondContact CG-OG 3.35Å; E531-S538 PolarHBondContact OE1-OG 3.02Å; D536-S538 PolarHBondContact O-N 3.15Å
539	K	94.9	Very high	94	Very high	60 Å²	60	35.1 Å²	35.1	26%	0.261	21%	0.207	S	C	.	.	S	Bend	trans	-87.9	144.6	176.4	-56.9	-62	176.5	179.5	0	110.3	E223 D536 N541	E223-K539 VanDerWaalsContact CD-NZ 3.34Å; E223-K539 IonicContact OE1-NZ 2.73Å; E223-K539 PolarHBondContact OE1-NZ 3.45Å; E223-K539 IonicContact OE2-NZ 3.56Å; E223-K539 PolarHBondContact OE2-NZ 3.17Å; D536-K539 HydrophobicContact CB-CB 4.25Å; D536-K539 HydrophobicContact CB-CG 4.08Å; D536-K539 WeakPolarHBondContact O-CB 3.4Å; D536-K539 PolarHBondContact O-N 3.4Å; D536-K539 VanDerWaalsContact O-N 3.08Å; K539-N541 PolarHBondContact O-N 3.27Å
540	P	96.3	Very high	94.1	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.084	21%	0.209	C	C	.	.	S	Bend	trans	-73.5	-12.1	-171.9	31.5	-38.4	0	0	0	113.9	P216 F220 C488 I490 L542 R543 A544	P216-P540 HydrophobicContact CB-CB 4.32Å; F220-P540 HydrophobicContact CE1-CG 4.15Å; F220-P540 HydrophobicContact CZ-CB 3.93Å; F220-P540 HydrophobicContact CZ-CG 3.79Å; C488-P540 HydrophobicContact CB-CB 3.8Å; C488-P540 HydrophobicContact CB-CG 3.66Å; I490-P540 HydrophobicContact CD1-CB 4.04Å; I490-P540 HydrophobicContact CG1-CB 4.46Å; I490-P540 HydrophobicContact CG2-CB 3.85Å; P540-L542 PolarHBondContact O-N 3.38Å; P540-R543 PolarHBondContact O-N 3.2Å; P540-R543 VanDerWaalsContact O-N 3.1Å; P540-A544 WeakPolarHBondContact O-CB 3.07Å; P540-A544 PolarHBondContact O-N 2.75Å
541	N	96.5	Very high	93.9	Very high	121 Å²	121	40.4 Å²	40.4	65%	0.647	23%	0.231	S	C	*	.	H	α-helix	trans	-54.4	-49.8	-164.7	-59.2	41.3	0	0	0	113.5	K539 R543 A544 E545	K539-N541 PolarHBondContact O-N 3.27Å; N541-R543 VanDerWaalsContact C-N 3.34Å; N541-R543 PolarHBondContact O-N 3.49Å; N541-A544 PolarHBondContact O-N 3.06Å; N541-E545 PolarHBondContact O-N 3.37Å
542	L	96.1	Very high	94	Very high	35 Å²	35	41.4 Å²	41.4	18%	0.183	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-37.7	-178.4	-177.9	62.4	0	0	0	111.9	P540 F546 F567 K570 Y571 L574	P540-L542 PolarHBondContact O-N 3.38Å; L542-F546 PolarHBondContact O-N 3.02Å; L542-F546 VanDerWaalsContact O-N 3.12Å; L542-F567 HydrophobicContact CD1-CD1 4.22Å; L542-F567 HydrophobicContact CD1-CE1 3.86Å; L542-K570 HydrophobicContact CD1-CD 3.87Å; L542-Y571 HydrophobicContact CD2-CD1 4.25Å; L542-Y571 HydrophobicContact CD2-CD2 4.35Å; L542-Y571 HydrophobicContact CD2-CE1 3.77Å; L542-Y571 HydrophobicContact CD2-CE2 3.88Å; L542-Y571 HydrophobicContact CG-CE2 4.16Å; L542-L574 HydrophobicContact CD2-CD1 3.52Å
543	R	96.8	Very high	94.1	Very high	4 Å²	4	39 Å²	39	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-40	177	178.5	60	-174.1	-162.7	-0.3	111.4	D180 S212 C213 P216 I490 P540 N541 E545 F546 E547	D180-R543 IonicContact OD1-CZ 3.28Å; D180-R543 IonicContact OD1-NH1 2.82Å; D180-R543 PolarHBondContact OD1-NH1 3.22Å; D180-R543 IonicContact OD2-NH1 2.71Å; S212-R543 PolarHBondContact OG-NH1 2.76Å; C213-R543 HydrophobicContact CB-CG 4Å; P216-R543 HydrophobicContact CG-CB 4.33Å; I490-R543 HydrophobicContact CB-CG 4.05Å; I490-R543 HydrophobicContact CG2-CB 3.85Å; I490-R543 HydrophobicContact CG2-CG 3.71Å; P540-R543 PolarHBondContact O-N 3.2Å; P540-R543 VanDerWaalsContact O-N 3.1Å; N541-R543 VanDerWaalsContact C-N 3.34Å; N541-R543 PolarHBondContact O-N 3.49Å; R543-E545 VanDerWaalsContact C-N 3.32Å; R543-E545 PolarHBondContact O-N 3.48Å; R543-F546 WeakPolarHBondContact O-CB 3.37Å; R543-F546 PolarHBondContact O-N 3.46Å; R543-E547 IonicContact CZ-OE1 2.75Å; R543-E547 IonicContact NE-OE1 4Å; R543-E547 PolarHBondContact NE-OE1 2.79Å; R543-E547 IonicContact NH2-OE1 2.79Å; R543-E547 PolarHBondContact NH2-OE1 3.47Å; R543-E547 PolarHBondContact O-N 2.8Å
544	A	96.8	Very high	94.1	Very high	23 Å²	23	38.9 Å²	38.9	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-41	176.9	0	0	0	0	0	111.5	C488 G489 I490 P540 N541 F546 E547 A548	C488-A544 WeakPolarHBondContact O-CB 3.41Å; G489-A544 WeakPolarHBondContact O-CA 3.47Å; I490-A544 HydrophobicContact CG2-CB 3.91Å; P540-A544 WeakPolarHBondContact O-CB 3.07Å; P540-A544 PolarHBondContact O-N 2.75Å; N541-A544 PolarHBondContact O-N 3.06Å; A544-F546 VanDerWaalsContact C-N 3.33Å; A544-F546 PolarHBondContact O-N 3.34Å; A544-E547 PolarHBondContact O-N 3.25Å; A544-A548 WeakPolarHBondContact O-CB 2.95Å; A544-A548 PolarHBondContact O-N 2.72Å
545	E	97	Very high	94.4	Very high	77 Å²	77	40.3 Å²	40.3	36%	0.36	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-46.4	172.3	-164.5	-165.7	163.1	0	0	110.8	N541 R543 A548 E549 F567 K570	N541-E545 PolarHBondContact O-N 3.37Å; R543-E545 VanDerWaalsContact C-N 3.32Å; R543-E545 PolarHBondContact O-N 3.48Å; E545-A548 PolarHBondContact O-N 2.68Å; E545-E549 WeakPolarHBondContact O-CG 3.3Å; E545-E549 PolarHBondContact O-N 2.81Å; E545-F567 HydrophobicContact CB-CE1 4.37Å; E545-F567 HydrophobicContact CB-CZ 4.09Å; E545-F567 HydrophobicContact CG-CZ 3.89Å; E545-K570 IonicContact OE1-NZ 2.92Å; E545-K570 PolarHBondContact OE1-NZ 3.2Å; E545-K570 IonicContact OE2-NZ 3.59Å; E545-K570 PolarHBondContact OE2-NZ 2.86Å
546	F	97.1	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-48.1	178.1	-179.1	-121.1	0	0	0	112.6	R176 L179 L542 R543 A544 A548 E549 L550 V563 F567	R176-F546 HydrophobicContact CG-CE1 4.44Å; L179-F546 HydrophobicContact CB-CE1 4.24Å; L179-F546 HydrophobicContact CB-CE2 4.27Å; L179-F546 HydrophobicContact CB-CZ 3.73Å; L179-F546 HydrophobicContact CD2-CD1 3.72Å; L179-F546 HydrophobicContact CD2-CD2 3.55Å; L179-F546 HydrophobicContact CD2-CE1 3.55Å; L179-F546 HydrophobicContact CD2-CE2 3.4Å; L179-F546 VanDerWaalsContact CD2-CE2 3.4Å; L179-F546 HydrophobicContact CD2-CG 3.71Å; L179-F546 HydrophobicContact CD2-CZ 3.37Å; L179-F546 HydrophobicContact CG-CE1 4.48Å; L179-F546 HydrophobicContact CG-CE2 4.42Å; L179-F546 HydrophobicContact CG-CZ 4.18Å; L542-F546 PolarHBondContact O-N 3.02Å; L542-F546 VanDerWaalsContact O-N 3.12Å; R543-F546 WeakPolarHBondContact O-CB 3.37Å; R543-F546 PolarHBondContact O-N 3.46Å; A544-F546 VanDerWaalsContact C-N 3.33Å; A544-F546 PolarHBondContact O-N 3.34Å; F546-A548 VanDerWaalsContact C-N 3.28Å; F546-A548 PolarHBondContact O-N 3.07Å; F546-E549 PolarHBondContact O-N 3.4Å; F546-E549 VanDerWaalsContact O-N 3.08Å; F546-L550 HydrophobicContact CD1-CD1 4.26Å; F546-L550 HydrophobicContact CD1-CG 4.48Å; F546-L550 HydrophobicContact CE1-CD1 3.83Å; F546-L550 HydrophobicContact CE1-CD2 4.23Å; F546-L550 HydrophobicContact CE1-CG 4.15Å; F546-L550 HydrophobicContact CE2-CD2 3.88Å; F546-L550 HydrophobicContact CE2-CG 4.29Å; F546-L550 HydrophobicContact CZ-CD1 4.14Å; F546-L550 HydrophobicContact CZ-CD2 3.67Å; F546-L550 HydrophobicContact CZ-CG 4.06Å; F546-L550 WeakPolarHBondContact O-CG 3.2Å; F546-L550 PolarHBondContact O-N 3.28Å; F546-V563 HydrophobicContact CD2-CG1 4.17Å; F546-V563 HydrophobicContact CE2-CG1 3.92Å; F546-F567 VanDerWaalsContact CA-CZ 3.41Å; F546-F567 HydrophobicContact CB-CD1 3.84Å; F546-F567 HydrophobicContact CB-CE1 3.49Å; F546-F567 VanDerWaalsContact CB-CE1 3.49Å; F546-F567 HydrophobicContact CB-CE2 4.47Å; F546-F567 HydrophobicContact CB-CG 4.46Å; F546-F567 HydrophobicContact CB-CZ 3.84Å; F546-F567 HydrophobicContact CD2-CB 4.27Å; F546-F567 AromaticContact CD2-CD1 3.91Å; F546-F567 HydrophobicContact CD2-CD1 3.91Å; F546-F567 AromaticContact CD2-CD2 3.76Å; F546-F567 HydrophobicContact CD2-CD2 3.76Å; F546-F567 HydrophobicContact CD2-CE1 4.2Å; F546-F567 HydrophobicContact CD2-CE2 4.06Å; F546-F567 AromaticContact CD2-CG 3.68Å; F546-F567 HydrophobicContact CD2-CG 3.68Å; F546-F567 HydrophobicContact CD2-CZ 4.26Å; F546-F567 HydrophobicContact CE2-CD2 4.47Å; F546-F567 HydrophobicContact CE2-CG 4.41Å; F546-F567 HydrophobicContact CG-CD1 4.2Å; F546-F567 HydrophobicContact CG-CE1 4.28Å; F546-F567 HydrophobicContact CG-CG 4.42Å
547	E	95.3	Very high	95.6	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-33.5	180	-68.9	-166.8	-161.4	0	0	112.5	G491 T492 R543 A544 L550 K551	G491-E547 PolarHBondContact N-OE1 3.4Å; G491-E547 PolarHBondContact N-OE2 3.26Å; G491-E547 VanDerWaalsContact N-OE2 3.08Å; T492-E547 WeakPolarHBondContact CB-OE2 3.44Å; T492-E547 VanDerWaalsContact CG2-OE2 3.22Å; T492-E547 WeakPolarHBondContact CG2-OE2 3.02Å; T492-E547 PolarHBondContact N-OE2 2.85Å; T492-E547 PolarHBondContact OG1-OE2 3.38Å; R543-E547 IonicContact CZ-OE1 2.75Å; R543-E547 IonicContact NE-OE1 4Å; R543-E547 PolarHBondContact NE-OE1 2.79Å; R543-E547 IonicContact NH2-OE1 2.79Å; R543-E547 PolarHBondContact NH2-OE1 3.47Å; R543-E547 PolarHBondContact O-N 2.8Å; A544-E547 PolarHBondContact O-N 3.25Å; E547-L550 PolarHBondContact O-N 3.26Å; E547-K551 PolarHBondContact O-N 3.46Å
548	A	95.9	Very high	95.9	Very high	51 Å²	51	44.3 Å²	44.3	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-38.8	171.3	0	0	0	0	0	112.5	A544 E545 F546 K551 K552	A544-A548 WeakPolarHBondContact O-CB 2.95Å; A544-A548 PolarHBondContact O-N 2.72Å; E545-A548 PolarHBondContact O-N 2.68Å; F546-A548 VanDerWaalsContact C-N 3.28Å; F546-A548 PolarHBondContact O-N 3.07Å; A548-K551 WeakPolarHBondContact O-CB 3.46Å; A548-K551 PolarHBondContact O-N 3.15Å; A548-K552 PolarHBondContact O-N 3.49Å
549	E	97.6	Very high	96.2	Very high	30 Å²	30	48 Å²	48	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-34.8	174.5	-67	-52.2	126.9	0	0	112.5	E545 F546 K551 K552 I553 V563 F567	E545-E549 WeakPolarHBondContact O-CG 3.3Å; E545-E549 PolarHBondContact O-N 2.81Å; F546-E549 PolarHBondContact O-N 3.4Å; F546-E549 VanDerWaalsContact O-N 3.08Å; E549-K551 VanDerWaalsContact C-N 3.27Å; E549-K551 PolarHBondContact O-N 3.12Å; E549-K552 WeakPolarHBondContact O-CA 3.3Å; E549-K552 WeakPolarHBondContact O-CB 3.5Å; E549-K552 PolarHBondContact O-N 2.9Å; E549-K552 WeakPolarHBondContact OE1-CE 3.35Å; E549-K552 IonicContact OE1-NZ 2.7Å; E549-K552 PolarHBondContact OE1-NZ 2.89Å; E549-K552 WeakPolarHBondContact OE2-CD 3.3Å; E549-K552 IonicContact OE2-NZ 3.47Å; E549-I553 PolarHBondContact O-N 3.22Å; E549-I553 VanDerWaalsContact O-N 3.08Å; E549-V563 HydrophobicContact CB-CG1 3.89Å; E549-V563 HydrophobicContact CB-CG2 4.1Å; E549-F567 HydrophobicContact CB-CE2 4.28Å; E549-F567 HydrophobicContact CG-CE2 3.82Å; E549-F567 HydrophobicContact CG-CZ 4.28Å
550	L	96.2	Very high	96.4	Very high	5 Å²	5	47 Å²	47	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-40.8	173.2	-65.6	-177.6	0	0	0	111.6	A172 C175 R176 F546 E547 K552 I553 C554	A172-L550 WeakPolarHBondContact O-CD2 3.48Å; C175-L550 HydrophobicContact CB-CD2 3.71Å; R176-L550 HydrophobicContact CB-CD1 3.82Å; R176-L550 HydrophobicContact CB-CD2 4.48Å; R176-L550 HydrophobicContact CG-CD1 4.08Å; F546-L550 HydrophobicContact CD1-CD1 4.26Å; F546-L550 HydrophobicContact CD1-CG 4.48Å; F546-L550 HydrophobicContact CE1-CD1 3.83Å; F546-L550 HydrophobicContact CE1-CD2 4.23Å; F546-L550 HydrophobicContact CE1-CG 4.15Å; F546-L550 HydrophobicContact CE2-CD2 3.88Å; F546-L550 HydrophobicContact CE2-CG 4.29Å; F546-L550 HydrophobicContact CZ-CD1 4.14Å; F546-L550 HydrophobicContact CZ-CD2 3.67Å; F546-L550 HydrophobicContact CZ-CG 4.06Å; F546-L550 WeakPolarHBondContact O-CG 3.2Å; F546-L550 PolarHBondContact O-N 3.28Å; E547-L550 PolarHBondContact O-N 3.26Å; L550-K552 VanDerWaalsContact C-N 3.29Å; L550-K552 PolarHBondContact O-N 2.73Å; L550-I553 HydrophobicContact CD2-CD1 4.11Å; L550-I553 WeakPolarHBondContact O-CB 3.5Å; L550-I553 PolarHBondContact O-N 2.98Å; L550-I553 VanDerWaalsContact O-N 3.15Å; L550-C554 PolarHBondContact O-N 2.93Å; L550-C554 VanDerWaalsContact O-N 3.16Å; L550-C554 PolarHBondContact O-SG 3.08Å; L550-C554 VanDerWaalsContact O-SG 3.41Å
551	K	92.8	Very high	96.4	Very high	107 Å²	107	51.8 Å²	51.8	47%	0.465	28%	0.283	S	S	.	.	H	α-helix	trans	-61.1	-38.5	174.2	-171.3	-178	179.4	-63.2	0	111.8	E547 A548 E549 I553 C554 D555	E547-K551 PolarHBondContact O-N 3.46Å; A548-K551 WeakPolarHBondContact O-CB 3.46Å; A548-K551 PolarHBondContact O-N 3.15Å; E549-K551 VanDerWaalsContact C-N 3.27Å; E549-K551 PolarHBondContact O-N 3.12Å; K551-I553 VanDerWaalsContact C-N 3.29Å; K551-I553 PolarHBondContact O-N 2.85Å; K551-C554 WeakPolarHBondContact O-CB 3.38Å; K551-C554 PolarHBondContact O-N 3.33Å; K551-D555 IonicContact NZ-OD1 3.07Å; K551-D555 IonicContact NZ-OD2 3.19Å; K551-D555 PolarHBondContact NZ-OD2 2.75Å; K551-D555 VanDerWaalsContact O-CG 3.27Å; K551-D555 PolarHBondContact O-N 2.64Å
552	K	96.9	Very high	96.5	Very high	80 Å²	80	47.3 Å²	47.3	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-29	176.3	-66.8	175.8	-172.5	171	0	112.9	A548 E549 L550 G556 V557 Q558	A548-K552 PolarHBondContact O-N 3.49Å; E549-K552 WeakPolarHBondContact O-CA 3.3Å; E549-K552 WeakPolarHBondContact O-CB 3.5Å; E549-K552 PolarHBondContact O-N 2.9Å; E549-K552 WeakPolarHBondContact OE1-CE 3.35Å; E549-K552 IonicContact OE1-NZ 2.7Å; E549-K552 PolarHBondContact OE1-NZ 2.89Å; E549-K552 WeakPolarHBondContact OE2-CD 3.3Å; E549-K552 IonicContact OE2-NZ 3.47Å; L550-K552 VanDerWaalsContact C-N 3.29Å; L550-K552 PolarHBondContact O-N 2.73Å; K552-G556 PolarHBondContact O-N 2.83Å; K552-G556 VanDerWaalsContact O-N 3.16Å; K552-V557 HydrophobicContact CB-CB 4.14Å; K552-V557 PolarHBondContact O-N 3.33Å; K552-Q558 HydrophobicContact CB-CB 4.17Å; K552-Q558 HydrophobicContact CB-CG 4.09Å; K552-Q558 HydrophobicContact CD-CG 4.39Å; K552-Q558 PolarHBondContact O-N 3.07Å
553	I	97.6	Very high	96.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-49.4	169.9	-60.6	170.5	0	0	0	109.5	R168 D171 A172 C175 E549 L550 K551 D555 G556 Q558 V563	R168-I553 WeakPolarHBondContact CB-O 3.42Å; D171-I553 HydrophobicContact CB-CG2 4.04Å; A172-I553 HydrophobicContact CB-CB 4.1Å; A172-I553 HydrophobicContact CB-CG2 4.06Å; C175-I553 HydrophobicContact CB-CD1 3.86Å; E549-I553 PolarHBondContact O-N 3.22Å; E549-I553 VanDerWaalsContact O-N 3.08Å; L550-I553 HydrophobicContact CD2-CD1 4.11Å; L550-I553 WeakPolarHBondContact O-CB 3.5Å; L550-I553 PolarHBondContact O-N 2.98Å; L550-I553 VanDerWaalsContact O-N 3.15Å; K551-I553 VanDerWaalsContact C-N 3.29Å; K551-I553 PolarHBondContact O-N 2.85Å; I553-D555 VanDerWaalsContact C-N 3.28Å; I553-D555 PolarHBondContact O-N 2.78Å; I553-G556 PolarHBondContact O-N 3.43Å; I553-Q558 HydrophobicContact CG1-CB 4.4Å; I553-V563 HydrophobicContact CD1-CB 4.1Å; I553-V563 HydrophobicContact CD1-CG1 4.39Å; I553-V563 HydrophobicContact CD1-CG2 3.95Å; I553-V563 HydrophobicContact CG1-CG2 4.01Å
554	C	94.1	Very high	96.7	Very high	13 Å²	13	46 Å²	46	9%	0.088	25%	0.254	C	S	.	.	H	α-helix	trans	-55.2	-43.9	177.1	-62.7	0	0	0	0	112.3	R120 L169 A172 L550 K551 G556	R120-C554 VanDerWaalsContact CD-SG 3.58Å; R120-C554 PolarHBondContact NE-SG 3.01Å; L169-C554 HydrophobicContact CD2-CB 3.66Å; A172-C554 WeakPolarHBondContact CB-SG 3.31Å; L550-C554 PolarHBondContact O-N 2.93Å; L550-C554 VanDerWaalsContact O-N 3.16Å; L550-C554 PolarHBondContact O-SG 3.08Å; L550-C554 VanDerWaalsContact O-SG 3.41Å; K551-C554 WeakPolarHBondContact O-CB 3.38Å; K551-C554 PolarHBondContact O-N 3.33Å; C554-G556 PolarHBondContact O-N 2.94Å
555	D	94.2	Very high	96.7	Very high	87 Å²	87	52.7 Å²	52.7	47%	0.465	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.7	179.9	-62.3	-23.3	0	0	0	112.6	K551 I553 V557	K551-D555 IonicContact NZ-OD1 3.07Å; K551-D555 IonicContact NZ-OD2 3.19Å; K551-D555 PolarHBondContact NZ-OD2 2.75Å; K551-D555 VanDerWaalsContact O-CG 3.27Å; K551-D555 PolarHBondContact O-N 2.64Å; I553-D555 VanDerWaalsContact C-N 3.28Å; I553-D555 PolarHBondContact O-N 2.78Å; D555-V557 HydrophobicContact CB-CG2 4.12Å
556	G	96.1	Very high	96.8	Very high	39 Å²	39	52.4 Å²	52.4	40%	0.402	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	17.8	-178.9	0	0	0	0	0	114.8	K552 I553 C554	K552-G556 PolarHBondContact O-N 2.83Å; K552-G556 VanDerWaalsContact O-N 3.16Å; I553-G556 PolarHBondContact O-N 3.43Å; C554-G556 PolarHBondContact O-N 2.94Å
557	V	97.7	Very high	96.8	Very high	102 Å²	102	52.5 Å²	52.5	62%	0.618	28%	0.275	S	S	*	.	S	Bend	trans	-85.4	-28.8	179.4	178.3	0	0	0	0	111.7	K552 D555	K552-V557 HydrophobicContact CB-CB 4.14Å; K552-V557 PolarHBondContact O-N 3.33Å; D555-V557 HydrophobicContact CB-CG2 4.12Å
558	Q	96.8	Very high	96.9	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	28%	0.284	S	S	.	.	S	Bend	trans	-129.9	156.1	178.4	-76.3	-70.1	-23.6	0	0	111.2	K552 I553 S562 V563	K552-Q558 HydrophobicContact CB-CB 4.17Å; K552-Q558 HydrophobicContact CB-CG 4.09Å; K552-Q558 HydrophobicContact CD-CG 4.39Å; K552-Q558 PolarHBondContact O-N 3.07Å; I553-Q558 HydrophobicContact CG1-CB 4.4Å; Q558-S562 PolarHBondContact OE1-OG 2.75Å; Q558-V563 HydrophobicContact CB-CG2 3.98Å; Q558-V563 HydrophobicContact CG-CG2 4.5Å
559	T	98.1	Very high	97	Very high	80 Å²	80	57.1 Å²	57.1	49%	0.491	29%	0.286	S	S	.	.			trans	-96.6	151.6	172	67.7	0	0	0	0	111.2	E561 S562 V563	T559-E561 VanDerWaalsContact C-N 3.27Å; T559-E561 PolarHBondContact O-N 3.12Å; T559-S562 PolarHBondContact O-N 3.15Å; T559-S562 WeakPolarHBondContact OG1-CB 3.41Å; T559-S562 PolarHBondContact OG1-N 2.97Å; T559-V563 PolarHBondContact O-N 3.19Å
560	K	97.8	Very high	97	Very high	40 Å²	40	58.7 Å²	58.7	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-53.9	-45.5	174.9	176.5	-177.7	77.6	-176.9	0	111.7	D171 D174 C175 S562 V563 L564	D171-K560 HydrophobicContact CB-CB 4.31Å; D174-K560 HydrophobicContact CB-CD 4.04Å; C175-K560 HydrophobicContact CB-CD 4.47Å; C175-K560 HydrophobicContact CB-CG 3.86Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.31Å; K560-V563 PolarHBondContact O-N 2.89Å; K560-L564 HydrophobicContact CD-CD1 4.24Å; K560-L564 HydrophobicContact CG-CD1 3.75Å; K560-L564 HydrophobicContact CG-CG 4.22Å; K560-L564 WeakPolarHBondContact O-CB 3.47Å; K560-L564 WeakPolarHBondContact O-CG 3.18Å; K560-L564 PolarHBondContact O-N 3.19Å
561	E	98	Very high	97	Very high	114 Å²	114	58.6 Å²	58.6	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-38.7	-175.9	-64.1	67.1	-144.6	0	0	111.5	T559 R565	T559-E561 VanDerWaalsContact C-N 3.27Å; T559-E561 PolarHBondContact O-N 3.12Å; E561-R565 WeakPolarHBondContact O-CB 3.41Å; E561-R565 PolarHBondContact O-N 2.86Å; E561-R565 VanDerWaalsContact O-N 3.08Å
562	S	98.2	Very high	97.2	Very high	26 Å²	26	55.9 Å²	55.9	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-51.1	176.5	-178.4	0	0	0	0	111.2	Q558 T559 K560 R565 I566	Q558-S562 PolarHBondContact OE1-OG 2.75Å; T559-S562 PolarHBondContact O-N 3.15Å; T559-S562 WeakPolarHBondContact OG1-CB 3.41Å; T559-S562 PolarHBondContact OG1-N 2.97Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.31Å; S562-R565 PolarHBondContact O-N 3.44Å; S562-I566 WeakPolarHBondContact O-CG1 3.4Å; S562-I566 PolarHBondContact O-N 2.86Å
563	V	98.4	Very high	97.2	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-46.8	-179.1	176.9	0	0	0	0	110.9	F546 E549 I553 Q558 T559 K560 R565 I566 F567	F546-V563 HydrophobicContact CD2-CG1 4.17Å; F546-V563 HydrophobicContact CE2-CG1 3.92Å; E549-V563 HydrophobicContact CB-CG1 3.89Å; E549-V563 HydrophobicContact CB-CG2 4.1Å; I553-V563 HydrophobicContact CD1-CB 4.1Å; I553-V563 HydrophobicContact CD1-CG1 4.39Å; I553-V563 HydrophobicContact CD1-CG2 3.95Å; I553-V563 HydrophobicContact CG1-CG2 4.01Å; Q558-V563 HydrophobicContact CB-CG2 3.98Å; Q558-V563 HydrophobicContact CG-CG2 4.5Å; T559-V563 PolarHBondContact O-N 3.19Å; K560-V563 PolarHBondContact O-N 2.89Å; V563-R565 VanDerWaalsContact C-N 3.34Å; V563-R565 PolarHBondContact O-N 2.82Å; V563-I566 PolarHBondContact O-N 2.84Å; V563-F567 HydrophobicContact CG1-CD2 3.91Å; V563-F567 HydrophobicContact CG1-CE2 4.28Å; V563-F567 WeakPolarHBondContact O-CD2 3.25Å; V563-F567 PolarHBondContact O-N 2.99Å
564	L	97.9	Very high	97.1	Very high	9 Å²	9	58.1 Å²	58.1	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-45	177.6	-79.7	177.1	0	0	0	112.1	C175 E178 L179 K560 I566 R568	C175-L564 WeakPolarHBondContact O-CD2 3.23Å; E178-L564 HydrophobicContact CB-CD1 4.37Å; E178-L564 HydrophobicContact CB-CD2 4.04Å; E178-L564 HydrophobicContact CG-CD1 4.19Å; E178-L564 HydrophobicContact CG-CD2 3.96Å; E178-L564 WeakPolarHBondContact OE2-CD1 3.4Å; L179-L564 HydrophobicContact CB-CD2 4.29Å; K560-L564 HydrophobicContact CD-CD1 4.24Å; K560-L564 HydrophobicContact CG-CD1 3.75Å; K560-L564 HydrophobicContact CG-CG 4.22Å; K560-L564 WeakPolarHBondContact O-CB 3.47Å; K560-L564 WeakPolarHBondContact O-CG 3.18Å; K560-L564 PolarHBondContact O-N 3.19Å; L564-I566 PolarHBondContact O-N 2.82Å; L564-R568 WeakPolarHBondContact O-CB 3.41Å; L564-R568 WeakPolarHBondContact O-CD 3.38Å; L564-R568 WeakPolarHBondContact O-CG 3.45Å; L564-R568 PolarHBondContact O-N 2.95Å
565	R	97.9	Very high	97.3	Very high	165 Å²	165	58 Å²	58	62%	0.623	29%	0.29	S	S	*	.	H	α-helix	trans	-59.1	-46.1	178.8	-179.7	179.2	58.8	98.3	4.9	111.7	E561 S562 V563 Q569	E561-R565 WeakPolarHBondContact O-CB 3.41Å; E561-R565 PolarHBondContact O-N 2.86Å; E561-R565 VanDerWaalsContact O-N 3.08Å; S562-R565 PolarHBondContact O-N 3.44Å; V563-R565 VanDerWaalsContact C-N 3.34Å; V563-R565 PolarHBondContact O-N 2.82Å; R565-Q569 WeakPolarHBondContact O-CB 3.36Å; R565-Q569 PolarHBondContact O-N 2.88Å
566	I	98.2	Very high	97.4	Very high	70 Å²	70	56.4 Å²	56.4	36%	0.359	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-51.5	-179.2	-67.5	166.8	0	0	0	110.8	S562 V563 L564 Q569 K570	S562-I566 WeakPolarHBondContact O-CG1 3.4Å; S562-I566 PolarHBondContact O-N 2.86Å; V563-I566 PolarHBondContact O-N 2.84Å; L564-I566 PolarHBondContact O-N 2.82Å; I566-Q569 PolarHBondContact O-N 2.9Å; I566-K570 HydrophobicContact CG2-CD 4.37Å; I566-K570 WeakPolarHBondContact O-CG 3.1Å; I566-K570 PolarHBondContact O-N 2.86Å
567	F	97.9	Very high	97.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-33.3	-175.3	-81.6	-89.1	0	0	0	113.1	L179 L542 E545 F546 E549 V563 Q569 K570 Y571	L179-F567 HydrophobicContact CD1-CB 3.83Å; L179-F567 HydrophobicContact CD2-CB 3.82Å; L179-F567 HydrophobicContact CD2-CD1 4.43Å; L179-F567 HydrophobicContact CD2-CG 4.32Å; L542-F567 HydrophobicContact CD1-CD1 4.22Å; L542-F567 HydrophobicContact CD1-CE1 3.86Å; E545-F567 HydrophobicContact CB-CE1 4.37Å; E545-F567 HydrophobicContact CB-CZ 4.09Å; E545-F567 HydrophobicContact CG-CZ 3.89Å; F546-F567 VanDerWaalsContact CA-CZ 3.41Å; F546-F567 HydrophobicContact CB-CD1 3.84Å; F546-F567 HydrophobicContact CB-CE1 3.49Å; F546-F567 VanDerWaalsContact CB-CE1 3.49Å; F546-F567 HydrophobicContact CB-CE2 4.47Å; F546-F567 HydrophobicContact CB-CG 4.46Å; F546-F567 HydrophobicContact CB-CZ 3.84Å; F546-F567 HydrophobicContact CD2-CB 4.27Å; F546-F567 AromaticContact CD2-CD1 3.91Å; F546-F567 HydrophobicContact CD2-CD1 3.91Å; F546-F567 AromaticContact CD2-CD2 3.76Å; F546-F567 HydrophobicContact CD2-CD2 3.76Å; F546-F567 HydrophobicContact CD2-CE1 4.2Å; F546-F567 HydrophobicContact CD2-CE2 4.06Å; F546-F567 AromaticContact CD2-CG 3.68Å; F546-F567 HydrophobicContact CD2-CG 3.68Å; F546-F567 HydrophobicContact CD2-CZ 4.26Å; F546-F567 HydrophobicContact CE2-CD2 4.47Å; F546-F567 HydrophobicContact CE2-CG 4.41Å; F546-F567 HydrophobicContact CG-CD1 4.2Å; F546-F567 HydrophobicContact CG-CE1 4.28Å; F546-F567 HydrophobicContact CG-CG 4.42Å; E549-F567 HydrophobicContact CB-CE2 4.28Å; E549-F567 HydrophobicContact CG-CE2 3.82Å; E549-F567 HydrophobicContact CG-CZ 4.28Å; V563-F567 HydrophobicContact CG1-CD2 3.91Å; V563-F567 HydrophobicContact CG1-CE2 4.28Å; V563-F567 WeakPolarHBondContact O-CD2 3.25Å; V563-F567 PolarHBondContact O-N 2.99Å; F567-Q569 VanDerWaalsContact C-N 3.31Å; F567-Q569 PolarHBondContact O-N 2.8Å; F567-K570 PolarHBondContact O-N 2.81Å; F567-Y571 HydrophobicContact CD1-CE2 4.26Å; F567-Y571 WeakPolarHBondContact O-CD2 3.49Å; F567-Y571 PolarHBondContact O-N 3.25Å
568	R	97.2	Very high	97.4	Very high	56 Å²	56	54.8 Å²	54.8	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-46	171	-77.7	169.6	55.9	-166.2	-9.4	111	F83 D84 L179 L564 Y571 K572	F83-R568 PolarHBondContact O-NE 3.37Å; F83-R568 PolarHBondContact O-NH2 3.35Å; D84-R568 IonicContact OD1-CZ 3.05Å; D84-R568 IonicContact OD1-NH2 2.76Å; D84-R568 PolarHBondContact OD1-NH2 3.47Å; L179-R568 HydrophobicContact CD1-CG 4.28Å; L564-R568 WeakPolarHBondContact O-CB 3.41Å; L564-R568 WeakPolarHBondContact O-CD 3.38Å; L564-R568 WeakPolarHBondContact O-CG 3.45Å; L564-R568 PolarHBondContact O-N 2.95Å; R568-Y571 PolarHBondContact O-N 3.28Å; R568-K572 VanDerWaalsContact O-CB 3.26Å; R568-K572 WeakPolarHBondContact O-CB 3.35Å; R568-K572 PolarHBondContact O-N 3.21Å
569	Q	97.5	Very high	97.4	Very high	100 Å²	100	54.4 Å²	54.4	47%	0.467	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-49.5	177.6	-178	60	28.6	0	0	111.7	R565 I566 F567 Y571 K572 E573	R565-Q569 WeakPolarHBondContact O-CB 3.36Å; R565-Q569 PolarHBondContact O-N 2.88Å; I566-Q569 PolarHBondContact O-N 2.9Å; F567-Q569 VanDerWaalsContact C-N 3.31Å; F567-Q569 PolarHBondContact O-N 2.8Å; Q569-Y571 PolarHBondContact O-N 3.06Å; Q569-K572 PolarHBondContact O-N 3.24Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.42Å; Q569-E573 PolarHBondContact NE2-OE1 3.44Å; Q569-E573 WeakPolarHBondContact O-CG 3.38Å; Q569-E573 PolarHBondContact O-N 2.8Å
570	K	97.1	Very high	97.3	Very high	63 Å²	63	57.6 Å²	57.6	27%	0.274	27%	0.267	S	S	.	.	H	α-helix	trans	-56.4	-46.8	177.9	-73.6	-177.7	172.6	-175.3	0	112.7	L542 E545 I566 F567 E573 L574	L542-K570 HydrophobicContact CD1-CD 3.87Å; E545-K570 IonicContact OE1-NZ 2.92Å; E545-K570 PolarHBondContact OE1-NZ 3.2Å; E545-K570 IonicContact OE2-NZ 3.59Å; E545-K570 PolarHBondContact OE2-NZ 2.86Å; I566-K570 HydrophobicContact CG2-CD 4.37Å; I566-K570 WeakPolarHBondContact O-CG 3.1Å; I566-K570 PolarHBondContact O-N 2.86Å; F567-K570 PolarHBondContact O-N 2.81Å; K570-E573 PolarHBondContact O-N 2.86Å; K570-L574 PolarHBondContact O-N 2.78Å
571	Y	97.4	Very high	97.3	Very high	3 Å²	3	57 Å²	57	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-71.8	-30.2	179.3	-84.6	-76.9	0	0	0	113.1	L179 T183 F187 S212 L542 F567 R568 Q569 L574 Y575	L179-Y571 HydrophobicContact CD1-CD2 4.14Å; L179-Y571 HydrophobicContact CD2-CD2 4.29Å; L179-Y571 HydrophobicContact CD2-CE2 3.97Å; T183-Y571 HydrophobicContact CG2-CD1 3.84Å; T183-Y571 HydrophobicContact CG2-CD2 3.71Å; T183-Y571 HydrophobicContact CG2-CE1 4.44Å; T183-Y571 HydrophobicContact CG2-CE2 4.32Å; T183-Y571 HydrophobicContact CG2-CG 3.43Å; T183-Y571 VanDerWaalsContact CG2-CG 3.43Å; F187-Y571 HydrophobicContact CE2-CD1 4.2Å; S212-Y571 WeakPolarHBondContact CB-OH 3.41Å; L542-Y571 HydrophobicContact CD2-CD1 4.25Å; L542-Y571 HydrophobicContact CD2-CD2 4.35Å; L542-Y571 HydrophobicContact CD2-CE1 3.77Å; L542-Y571 HydrophobicContact CD2-CE2 3.88Å; L542-Y571 HydrophobicContact CG-CE2 4.16Å; F567-Y571 HydrophobicContact CD1-CE2 4.26Å; F567-Y571 WeakPolarHBondContact O-CD2 3.49Å; F567-Y571 PolarHBondContact O-N 3.25Å; R568-Y571 PolarHBondContact O-N 3.28Å; Q569-Y571 PolarHBondContact O-N 3.06Å; Y571-L574 HydrophobicContact CD1-CD1 4.4Å; Y571-L574 PolarHBondContact O-N 3.44Å; Y571-Y575 WeakPolarHBondContact O-CB 3.25Å; Y571-Y575 PolarHBondContact O-N 3.41Å
572	K	96.9	Very high	97.2	Very high	50 Å²	50	51.7 Å²	51.7	22%	0.217	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-42.7	173.9	-174.5	173.6	-176.5	-64.9	0	111.4	F83 R568 Q569 L574 Y575 D576	F83-K572 HydrophobicContact CB-CD 4.2Å; F83-K572 HydrophobicContact CD1-CB 4.01Å; F83-K572 HydrophobicContact CD2-CB 4.28Å; F83-K572 HydrophobicContact CD2-CG 4.12Å; F83-K572 HydrophobicContact CE1-CB 4.2Å; F83-K572 HydrophobicContact CE2-CB 4.45Å; F83-K572 HydrophobicContact CE2-CG 4.49Å; F83-K572 HydrophobicContact CG-CB 4.06Å; F83-K572 HydrophobicContact CG-CD 4.36Å; F83-K572 HydrophobicContact CG-CG 4.21Å; F83-K572 HydrophobicContact CZ-CB 4.42Å; R568-K572 VanDerWaalsContact O-CB 3.26Å; R568-K572 WeakPolarHBondContact O-CB 3.35Å; R568-K572 PolarHBondContact O-N 3.21Å; Q569-K572 PolarHBondContact O-N 3.24Å; K572-L574 VanDerWaalsContact C-N 3.32Å; K572-L574 PolarHBondContact O-N 2.99Å; K572-Y575 WeakPolarHBondContact O-CB 3.22Å; K572-Y575 PolarHBondContact O-N 3.33Å; K572-Y575 VanDerWaalsContact O-N 3.13Å; K572-D576 IonicContact NZ-OD2 3.55Å; K572-D576 VanDerWaalsContact O-CG 3.28Å; K572-D576 PolarHBondContact O-N 3.17Å
573	E	96.5	Very high	97.1	Very high	98 Å²	98	55.3 Å²	55.3	46%	0.458	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-40.1	174.2	-71.2	168.9	-167.7	0	0	112.5	Q569 K570 K577	Q569-E573 WeakPolarHBondContact CG-OE1 3.42Å; Q569-E573 PolarHBondContact NE2-OE1 3.44Å; Q569-E573 WeakPolarHBondContact O-CG 3.38Å; Q569-E573 PolarHBondContact O-N 2.8Å; K570-E573 PolarHBondContact O-N 2.86Å; E573-K577 WeakPolarHBondContact O-CG 3.3Å; E573-K577 PolarHBondContact O-N 3.14Å
574	L	96.3	Very high	96.9	Very high	32 Å²	32	61 Å²	61	17%	0.168	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-40.9	172.9	-72	172.1	0	0	0	111.9	F187 C535 M537 L542 K570 Y571 K572 K577 V578	F187-L574 HydrophobicContact CZ-CB 4.29Å; C535-L574 HydrophobicContact CB-CD2 4.31Å; M537-L574 HydrophobicContact CG-CD1 3.99Å; M537-L574 HydrophobicContact CG-CD2 4.47Å; M537-L574 HydrophobicContact SD-CB 4.11Å; M537-L574 HydrophobicContact SD-CD1 4.25Å; L542-L574 HydrophobicContact CD2-CD1 3.52Å; K570-L574 PolarHBondContact O-N 2.78Å; Y571-L574 HydrophobicContact CD1-CD1 4.4Å; Y571-L574 PolarHBondContact O-N 3.44Å; K572-L574 VanDerWaalsContact C-N 3.32Å; K572-L574 PolarHBondContact O-N 2.99Å; L574-K577 PolarHBondContact O-N 2.9Å; L574-V578 VanDerWaalsContact O-CG2 3.29Å; L574-V578 WeakPolarHBondContact O-CG2 3.21Å; L574-V578 PolarHBondContact O-N 3.41Å
575	Y	97.3	Very high	96.8	Very high	11 Å²	11	60.5 Å²	60.5	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-47.5	176.6	177.7	-93	0	0	0	111.2	I79 D80 F83 A186 F187 F190 Y571 K572 K577 V578 V579	I79-Y575 VanDerWaalsContact CB-OH 3.27Å; I79-Y575 WeakPolarHBondContact CB-OH 3.48Å; I79-Y575 HydrophobicContact CG2-CE2 4.06Å; I79-Y575 WeakPolarHBondContact CG2-OH 3.4Å; D80-Y575 HydrophobicContact CB-CE1 3.97Å; F83-Y575 AromaticContact CE2-CD1 3.92Å; F83-Y575 HydrophobicContact CE2-CD1 3.92Å; F83-Y575 HydrophobicContact CE2-CD2 4.09Å; F83-Y575 AromaticContact CE2-CG 3.62Å; F83-Y575 HydrophobicContact CE2-CG 3.62Å; F83-Y575 HydrophobicContact CZ-CD2 4.41Å; F83-Y575 HydrophobicContact CZ-CG 4.06Å; A186-Y575 HydrophobicContact CB-CD2 4.21Å; A186-Y575 HydrophobicContact CB-CE2 4.21Å; F187-Y575 HydrophobicContact CD1-CD2 4.06Å; F187-Y575 HydrophobicContact CD2-CD2 4.4Å; F187-Y575 AromaticContact CE1-CD2 3.99Å; F187-Y575 HydrophobicContact CE1-CD2 3.99Å; F187-Y575 HydrophobicContact CE2-CD2 4.34Å; F187-Y575 HydrophobicContact CG-CD2 4.27Å; F187-Y575 VanDerWaalsContact CZ-CA 3.48Å; F187-Y575 HydrophobicContact CZ-CD2 4.15Å; F187-Y575 HydrophobicContact CZ-CG 4.39Å; F190-Y575 HydrophobicContact CB-CE2 3.82Å; F190-Y575 HydrophobicContact CG-CE2 4.21Å; Y571-Y575 WeakPolarHBondContact O-CB 3.25Å; Y571-Y575 PolarHBondContact O-N 3.41Å; K572-Y575 WeakPolarHBondContact O-CB 3.22Å; K572-Y575 PolarHBondContact O-N 3.33Å; K572-Y575 VanDerWaalsContact O-N 3.13Å; Y575-K577 VanDerWaalsContact C-N 3.31Å; Y575-K577 PolarHBondContact O-N 3.13Å; Y575-V578 PolarHBondContact O-N 2.83Å; Y575-V578 VanDerWaalsContact O-N 3.08Å; Y575-V579 HydrophobicContact CD1-CG2 4Å; Y575-V579 HydrophobicContact CD2-CG2 4.49Å; Y575-V579 HydrophobicContact CE1-CG2 3.48Å; Y575-V579 VanDerWaalsContact CE1-CG2 3.48Å; Y575-V579 HydrophobicContact CE2-CG2 4.03Å; Y575-V579 HydrophobicContact CG-CG2 4.46Å; Y575-V579 VanDerWaalsContact CZ-CG2 3.47Å; Y575-V579 WeakPolarHBondContact O-CG2 3.3Å; Y575-V579 PolarHBondContact O-N 3.07Å
576	D	96.9	Very high	96.7	Very high	53 Å²	53	53.6 Å²	53.6	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-42.1	179.5	-67.4	-21.7	0	0	0	111	K572 V579 Q580	K572-D576 IonicContact NZ-OD2 3.55Å; K572-D576 VanDerWaalsContact O-CG 3.28Å; K572-D576 PolarHBondContact O-N 3.17Å; D576-V579 PolarHBondContact O-N 3.06Å; D576-Q580 WeakPolarHBondContact O-CB 3.23Å; D576-Q580 WeakPolarHBondContact O-CG 3.45Å; D576-Q580 PolarHBondContact O-N 3.16Å
577	K	96.6	Very high	96.6	Very high	108 Å²	108	53.1 Å²	53.1	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-44.3	173	-73.2	177.9	-178.7	179.7	0	112.7	E573 L574 Y575 Q580 S581	E573-K577 WeakPolarHBondContact O-CG 3.3Å; E573-K577 PolarHBondContact O-N 3.14Å; L574-K577 PolarHBondContact O-N 2.9Å; Y575-K577 VanDerWaalsContact C-N 3.31Å; Y575-K577 PolarHBondContact O-N 3.13Å; K577-Q580 PolarHBondContact O-N 3.44Å; K577-S581 PolarHBondContact O-N 3.21Å
578	V	96.8	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-38.8	-179.5	167.5	0	0	0	0	111.7	F187 F190 Y530 I533 M537 L574 Y575 A582	F187-V578 HydrophobicContact CE1-CB 4.27Å; F187-V578 HydrophobicContact CE1-CG1 4.46Å; F187-V578 HydrophobicContact CE1-CG2 4.17Å; F190-V578 HydrophobicContact CD1-CG1 4.16Å; F190-V578 HydrophobicContact CE1-CG1 3.62Å; F190-V578 HydrophobicContact CZ-CG1 4.42Å; Y530-V578 HydrophobicContact CD1-CG2 3.78Å; Y530-V578 HydrophobicContact CE1-CB 4.41Å; Y530-V578 HydrophobicContact CE1-CG1 3.91Å; Y530-V578 HydrophobicContact CE1-CG2 3.63Å; I533-V578 HydrophobicContact CD1-CG1 4.35Å; I533-V578 HydrophobicContact CD1-CG2 4.25Å; I533-V578 HydrophobicContact CG2-CG2 4.34Å; M537-V578 HydrophobicContact SD-CG2 4.39Å; L574-V578 VanDerWaalsContact O-CG2 3.29Å; L574-V578 WeakPolarHBondContact O-CG2 3.21Å; L574-V578 PolarHBondContact O-N 3.41Å; Y575-V578 PolarHBondContact O-N 2.83Å; Y575-V578 VanDerWaalsContact O-N 3.08Å; V578-A582 WeakPolarHBondContact O-CA 3.46Å; V578-A582 PolarHBondContact O-N 2.84Å
579	V	96.7	Very high	96.3	Very high	61 Å²	61	51.2 Å²	51.2	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-41.2	174.5	175.4	0	0	0	0	111.3	F190 Y575 D576 S581 A582	F190-V579 HydrophobicContact CD2-CG2 3.84Å; F190-V579 HydrophobicContact CE2-CB 4.24Å; F190-V579 HydrophobicContact CE2-CG1 4.3Å; F190-V579 HydrophobicContact CE2-CG2 3.7Å; F190-V579 HydrophobicContact CG-CG2 4.35Å; F190-V579 HydrophobicContact CZ-CB 4.5Å; F190-V579 HydrophobicContact CZ-CG2 4.12Å; Y575-V579 HydrophobicContact CD1-CG2 4Å; Y575-V579 HydrophobicContact CD2-CG2 4.49Å; Y575-V579 HydrophobicContact CE1-CG2 3.48Å; Y575-V579 VanDerWaalsContact CE1-CG2 3.48Å; Y575-V579 HydrophobicContact CE2-CG2 4.03Å; Y575-V579 HydrophobicContact CG-CG2 4.46Å; Y575-V579 VanDerWaalsContact CZ-CG2 3.47Å; Y575-V579 WeakPolarHBondContact O-CG2 3.3Å; Y575-V579 PolarHBondContact O-N 3.07Å; D576-V579 PolarHBondContact O-N 3.06Å; V579-S581 VanDerWaalsContact C-N 3.34Å; V579-S581 PolarHBondContact O-N 3.33Å; V579-A582 WeakPolarHBondContact O-CB 3.47Å
580	Q	96.8	Very high	96.2	Very high	147 Å²	147	49.8 Å²	49.8	69%	0.687	25%	0.248	S	C	*	.	H	α-helix	trans	-67.4	-30.5	-179.8	-74.9	169.2	19.7	0	0	113.7	D576 K577	D576-Q580 WeakPolarHBondContact O-CB 3.23Å; D576-Q580 WeakPolarHBondContact O-CG 3.45Å; D576-Q580 PolarHBondContact O-N 3.16Å; K577-Q580 PolarHBondContact O-N 3.44Å
581	S	96.4	Very high	95.9	Very high	28 Å²	28	50.8 Å²	50.8	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	31.9	-179.1	-57.6	0	0	0	0	112.6	K577 V579 E583 R584	K577-S581 PolarHBondContact O-N 3.21Å; V579-S581 VanDerWaalsContact C-N 3.34Å; V579-S581 PolarHBondContact O-N 3.33Å; S581-E583 WeakPolarHBondContact CA-OE1 3.5Å; S581-E583 PolarHBondContact O-N 3.27Å; S581-R584 WeakPolarHBondContact O-CB 3.44Å; S581-R584 PolarHBondContact O-N 3.41Å
582	A	95.8	Very high	95.6	Very high	2 Å²	2	54 Å²	54	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-27.1	-171.5	0	0	0	0	0	113.6	F190 R194 V578 V579 R584 L585 D586	F190-A582 HydrophobicContact CE2-CB 4.46Å; F190-A582 HydrophobicContact CZ-CB 3.68Å; R194-A582 PolarHBondContact NE-O 3.05Å; V578-A582 WeakPolarHBondContact O-CA 3.46Å; V578-A582 PolarHBondContact O-N 2.84Å; V579-A582 WeakPolarHBondContact O-CB 3.47Å; A582-R584 PolarHBondContact O-N 2.9Å; A582-L585 VanDerWaalsContact O-CB 3.31Å; A582-L585 WeakPolarHBondContact O-CB 3.48Å; A582-L585 PolarHBondContact O-N 2.73Å; A582-L585 VanDerWaalsContact O-N 3.15Å; A582-D586 PolarHBondContact O-N 2.92Å
583	E	96.1	Very high	95.2	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-26.3	174.5	68.3	-68	156.9	0	0	113	S581 D586 A587	S581-E583 WeakPolarHBondContact CA-OE1 3.5Å; S581-E583 PolarHBondContact O-N 3.27Å; E583-D586 PolarHBondContact O-N 2.8Å; E583-A587 WeakPolarHBondContact O-CB 3.37Å; E583-A587 PolarHBondContact O-N 3.19Å
584	R	95.7	Very high	94.6	Very high	121 Å²	121	49.2 Å²	49.2	46%	0.457	27%	0.266	S	S	.	.	H	α-helix	trans	-69.5	-35.9	174	-61.8	-169.4	-179.9	-175.4	1.6	112	S532 I533 S581 A582 D586 A587 A588	S532-R584 WeakPolarHBondContact O-CD 3.19Å; S532-R584 PolarHBondContact O-NH1 3.42Å; S532-R584 WeakPolarHBondContact OG-CB 3.43Å; I533-R584 HydrophobicContact CG1-CB 3.91Å; S581-R584 WeakPolarHBondContact O-CB 3.44Å; S581-R584 PolarHBondContact O-N 3.41Å; A582-R584 PolarHBondContact O-N 2.9Å; R584-D586 VanDerWaalsContact C-N 3.33Å; R584-A587 PolarHBondContact O-N 2.76Å; R584-A588 WeakPolarHBondContact O-CB 3.21Å; R584-A588 PolarHBondContact O-N 2.92Å
585	L	94.6	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-45.1	172.1	-173	63	0	0	0	110	Q191 L195 L526 Y530 I533 A582 A588 L589	Q191-L585 HydrophobicContact CB-CD2 4.4Å; L195-L585 HydrophobicContact CD1-CD2 4.32Å; L195-L585 HydrophobicContact CD2-CD2 4.36Å; L195-L585 HydrophobicContact CD2-CG 4.34Å; L526-L585 HydrophobicContact CD2-CD1 4.17Å; Y530-L585 HydrophobicContact CD2-CD1 4.17Å; Y530-L585 HydrophobicContact CE2-CD1 4.27Å; I533-L585 HydrophobicContact CD1-CB 4.48Å; A582-L585 VanDerWaalsContact O-CB 3.31Å; A582-L585 WeakPolarHBondContact O-CB 3.48Å; A582-L585 PolarHBondContact O-N 2.73Å; A582-L585 VanDerWaalsContact O-N 3.15Å; L585-A588 PolarHBondContact O-N 2.79Å; L585-L589 HydrophobicContact CD1-CD1 3.76Å; L585-L589 HydrophobicContact CG-CD1 4.01Å; L585-L589 WeakPolarHBondContact O-CD1 3.28Å; L585-L589 PolarHBondContact O-N 2.77Å; L585-L589 VanDerWaalsContact O-N 3.09Å
586	D	96	Very high	92.1	Very high	19 Å²	19	54 Å²	54	10%	0.102	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-47.5	176.5	-57.1	-14.4	0	0	0	111.4	R194 V198 F199 A582 E583 R584 A588 L589 M590	R194-D586 IonicContact CZ-OD1 2.85Å; R194-D586 IonicContact CZ-OD2 3.23Å; R194-D586 VanDerWaalsContact NE-CG 3.33Å; R194-D586 IonicContact NE-OD1 3.92Å; R194-D586 PolarHBondContact NE-OD1 3.15Å; R194-D586 IonicContact NE-OD2 2.7Å; R194-D586 PolarHBondContact NE-OD2 2.9Å; R194-D586 VanDerWaalsContact NE-OD2 3.07Å; R194-D586 IonicContact NH2-OD1 3.34Å; R194-D586 IonicContact NH2-OD2 3.77Å; R194-D586 PolarHBondContact NH2-OD2 3.1Å; V198-D586 HydrophobicContact CG1-CB 4.21Å; F199-D586 WeakPolarHBondContact CZ-O 3.42Å; A582-D586 PolarHBondContact O-N 2.92Å; E583-D586 PolarHBondContact O-N 2.8Å; R584-D586 VanDerWaalsContact C-N 3.33Å; D586-A588 VanDerWaalsContact C-N 3.32Å; D586-A588 PolarHBondContact O-N 2.97Å; D586-L589 PolarHBondContact O-N 2.74Å; D586-M590 WeakPolarHBondContact O-CB 3.48Å; D586-M590 PolarHBondContact O-N 3.48Å
587	A	95.7	Very high	90	Very high	61 Å²	61	57 Å²	57	50%	0.504	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-42.5	179.3	0	0	0	0	0	112.1	E583 R584 M590 A591	E583-A587 WeakPolarHBondContact O-CB 3.37Å; E583-A587 PolarHBondContact O-N 3.19Å; R584-A587 PolarHBondContact O-N 2.76Å; A587-M590 PolarHBondContact O-N 2.88Å; A587-A591 PolarHBondContact O-N 3.03Å
588	A	95.4	Very high	87.6	Confident	17 Å²	17	55.5 Å²	55.5	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-43.1	176.7	0	0	0	0	0	112.2	D528 G529 R584 L585 D586 A591 Y592	D528-A588 HydrophobicContact CB-CB 4.21Å; G529-A588 VanDerWaalsContact CA-CB 3.46Å; R584-A588 WeakPolarHBondContact O-CB 3.21Å; R584-A588 PolarHBondContact O-N 2.92Å; L585-A588 PolarHBondContact O-N 2.79Å; D586-A588 VanDerWaalsContact C-N 3.32Å; D586-A588 PolarHBondContact O-N 2.97Å; A588-A591 WeakPolarHBondContact O-CB 3.3Å; A588-A591 PolarHBondContact O-N 3.44Å; A588-Y592 WeakPolarHBondContact O-CD2 3.26Å; A588-Y592 WeakPolarHBondContact O-CE2 3.29Å
589	L	94.3	Very high	84.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-32.4	176.4	-84.1	85.6	0	0	0	112.6	L195 F199 L203 L522 G525 L585 D586 A591 Y592 F593	L195-L589 HydrophobicContact CD1-CD2 3.78Å; L195-L589 HydrophobicContact CD2-CD1 4.5Å; L195-L589 HydrophobicContact CD2-CD2 4Å; L195-L589 HydrophobicContact CG-CD2 4.4Å; F199-L589 HydrophobicContact CD2-CB 4.36Å; F199-L589 HydrophobicContact CD2-CD2 4.38Å; F199-L589 HydrophobicContact CE1-CB 4.47Å; F199-L589 HydrophobicContact CE2-CB 3.56Å; F199-L589 HydrophobicContact CE2-CD2 4.24Å; F199-L589 HydrophobicContact CZ-CB 3.64Å; L203-L589 HydrophobicContact CD1-CD2 4.35Å; L522-L589 HydrophobicContact CD1-CD2 3.79Å; G525-L589 VanDerWaalsContact C-CD1 3.48Å; G525-L589 WeakPolarHBondContact O-CD1 3.37Å; L585-L589 HydrophobicContact CD1-CD1 3.76Å; L585-L589 HydrophobicContact CG-CD1 4.01Å; L585-L589 WeakPolarHBondContact O-CD1 3.28Å; L585-L589 PolarHBondContact O-N 2.77Å; L585-L589 VanDerWaalsContact O-N 3.09Å; D586-L589 PolarHBondContact O-N 2.74Å; L589-A591 PolarHBondContact O-N 2.82Å; L589-Y592 PolarHBondContact O-N 3.26Å; L589-F593 HydrophobicContact CB-CD2 4.29Å; L589-F593 HydrophobicContact CD2-CD2 4.4Å; L589-F593 HydrophobicContact CD2-CE2 3.93Å; L589-F593 PolarHBondContact O-N 2.92Å
590	M	95	Very high	81.7	Confident	70 Å²	70	61.3 Å²	61.3	35%	0.345	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-33	177	-168.7	179.2	-69.6	0	0	111.8	F199 D586 A587 Y592 G594 T596	F199-M590 HydrophobicContact CE1-CB 4.21Å; F199-M590 HydrophobicContact CZ-CB 4.18Å; D586-M590 WeakPolarHBondContact O-CB 3.48Å; D586-M590 PolarHBondContact O-N 3.48Å; A587-M590 PolarHBondContact O-N 2.88Å; M590-Y592 PolarHBondContact O-N 3.46Å; M590-Y592 VanDerWaalsContact O-N 3.16Å; M590-G594 WeakPolarHBondContact CG-O 3.25Å; M590-G594 CarbonylContact O-C 3.57Å; M590-G594 VanDerWaalsContact O-CA 3.3Å; M590-G594 WeakPolarHBondContact O-CA 3.14Å; M590-G594 PolarHBondContact O-N 2.85Å; M590-T596 HydrophobicContact CE-CG2 4.39Å
591	A	90.8	Very high	78.7	Confident	84 Å²	84	62.8 Å²	62.8	69%	0.694	38%	0.375	S	S	*	.	H	α-helix	trans	-59.8	-24.5	174	0	0	0	0	0	113.3	A587 A588 L589	A587-A591 PolarHBondContact O-N 3.03Å; A588-A591 WeakPolarHBondContact O-CB 3.3Å; A588-A591 PolarHBondContact O-N 3.44Å; L589-A591 PolarHBondContact O-N 2.82Å
592	Y	90.7	Very high	75.5	Confident	72 Å²	72	72.6 Å²	72.6	28%	0.282	41%	0.408	S	S	.	.	H	α-helix	trans	-105.2	-33.5	-179.7	-59.2	-74.6	0	0	0	114.2	Y521 L524 D528 A588 L589 M590	Y521-Y592 HydrophobicContact CD1-CD1 4.14Å; Y521-Y592 HydrophobicContact CG-CD1 4.48Å; L524-Y592 HydrophobicContact CB-CE1 4.07Å; L524-Y592 HydrophobicContact CB-CE2 3.97Å; L524-Y592 HydrophobicContact CD1-CE1 4.01Å; D528-Y592 PolarHBondContact OD2-OH 2.87Å; A588-Y592 WeakPolarHBondContact O-CD2 3.26Å; A588-Y592 WeakPolarHBondContact O-CE2 3.29Å; L589-Y592 PolarHBondContact O-N 3.26Å; M590-Y592 PolarHBondContact O-N 3.46Å; M590-Y592 VanDerWaalsContact O-N 3.16Å
593	F	89	Confident	72.2	Confident	19 Å²	19	77.7 Å²	77.7	8%	0.083	44%	0.443	C	S	.	.	H	α-helix	trans	-94.3	-8.3	-179.9	-65.3	-37.7	0	0	0	114	F199 H202 L203 L522 L589	F199-F593 HydrophobicContact CB-CD2 4.49Å; F199-F593 HydrophobicContact CD1-CB 4.05Å; F199-F593 HydrophobicContact CD1-CD2 4.01Å; F199-F593 HydrophobicContact CE1-CB 4.27Å; F199-F593 HydrophobicContact CE1-CD2 4.4Å; F199-F593 HydrophobicContact CG-CD2 4.1Å; H202-F593 HydrophobicContact CB-CD1 4.47Å; H202-F593 HydrophobicContact CB-CD2 4.44Å; H202-F593 HydrophobicContact CB-CG 4.38Å; H202-F593 PolarHBondContact CE1-O 3.36Å; L203-F593 HydrophobicContact CD1-CE2 4.08Å; L203-F593 HydrophobicContact CD2-CE2 4.23Å; L203-F593 HydrophobicContact CD2-CZ 4.26Å; L203-F593 HydrophobicContact CG-CE2 4.27Å; L522-F593 HydrophobicContact CB-CZ 4.22Å; L589-F593 HydrophobicContact CB-CD2 4.29Å; L589-F593 HydrophobicContact CD2-CD2 4.4Å; L589-F593 HydrophobicContact CD2-CE2 3.93Å; L589-F593 PolarHBondContact O-N 2.92Å
594	G	84.5	Confident	69	Low	27 Å²	27	77.2 Å²	77.2	28%	0.278	46%	0.456	S	S	.	.			trans	78.6	177.7	-174.6	0	0	0	0	0	112.8	M590	M590-G594 WeakPolarHBondContact CG-O 3.25Å; M590-G594 CarbonylContact O-C 3.57Å; M590-G594 VanDerWaalsContact O-CA 3.3Å; M590-G594 WeakPolarHBondContact O-CA 3.14Å; M590-G594 PolarHBondContact O-N 2.85Å
595	P	75	Confident	65.9	Low	118 Å²	118	77.3 Å²	77.3	77%	0.766	47%	0.473	S	S	*	.			trans	-62.1	142.9	-178.5	23.3	-30.8	0	0	0	111.7
596	T	65.5	Low	62.8	Low	25 Å²	25	85.1 Å²	85.1	15%	0.153	52%	0.515	C	S	.	.			trans	-88	130.6	176.1	52.7	0	0	0	0	109.5	V198 F199 M590 S598 A599	V198-T596 HydrophobicContact CG1-CG2 4.18Å; V198-T596 WeakPolarHBondContact O-CG2 3.43Å; F199-T596 HydrophobicContact CD1-CG2 3.54Å; F199-T596 HydrophobicContact CE1-CG2 3.55Å; F199-T596 HydrophobicContact CG-CG2 4.42Å; F199-T596 HydrophobicContact CZ-CG2 4.43Å; M590-T596 HydrophobicContact CE-CG2 4.39Å; T596-S598 PolarHBondContact O-N 2.79Å; T596-S598 PolarHBondContact OG1-OG 3.41Å; T596-A599 PolarHBondContact O-N 2.87Å
597	D	52.3	Low	59.6	Low	117 Å²	117	91.7 Å²	91.7	63%	0.626	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-57.8	-12	-178.8	-66.6	-38.9	0	0	0	113.9	H201 A599 S600	H201-D597 IonicContact CD2-OD2 3.94Å; H201-D597 IonicContact NE2-OD2 2.87Å; D597-A599 VanDerWaalsContact C-N 3.28Å; D597-A599 PolarHBondContact O-N 2.92Å; D597-S600 PolarHBondContact O-OG 2.82Å
598	S	45.5	Very low	56.6	Low	77 Å²	77	94.4 Å²	94.4	54%	0.538	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-75.1	-3.4	-179.6	45.3	0	0	0	0	115.9	T596	T596-S598 PolarHBondContact O-N 2.79Å; T596-S598 PolarHBondContact OG1-OG 3.41Å
599	A	37.7	Very low	53.5	Low	86 Å²	86	98.9 Å²	98.9	71%	0.711	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-92.6	-11.9	178.1	0	0	0	0	0	114.6	T596 D597	T596-A599 PolarHBondContact O-N 2.87Å; D597-A599 VanDerWaalsContact C-N 3.28Å; D597-A599 PolarHBondContact O-N 2.92Å
600	S	33.9	Very low	50.2	Low	96 Å²	96	103.6 Å²	103.6	67%	0.671	63%	0.628	S	S	*	*	S	Bend	trans	-93.3	-3.1	-176.1	58.3	0	0	0	0	115.3	D597	D597-S600 PolarHBondContact O-OG 2.82Å
601	E	31.8	Very low	47	Very low	178 Å²	178	107.2 Å²	107.2	83%	0.832	66%	0.655	S	S	*	*	S	Bend	trans	-107.5	14.2	-174.6	-70.1	-170.1	161.2	0	0	115.6
602	R	29.9	Very low	43.9	Very low	235 Å²	235	108 Å²	108	89%	0.887	66%	0.655	S	S	*	*			trans	-116.6	25.7	-176.1	-70.6	-166.7	-172.2	-161.3	2.8	117.3
603	S	27.6	Very low	40.9	Very low	108 Å²	108	113.3 Å²	113.3	76%	0.755	68%	0.683	S	S	*	*	S	Bend	trans	-121.9	105.6	171.2	49	0	0	0	0	112.9
604	A	28.2	Very low	37.8	Very low	92 Å²	92	117.6 Å²	117.6	76%	0.76	71%	0.713	S	S	*	*			trans	61	135.5	152.6	0	0	0	0	0	120.6
605	P	29.9	Very low	34.8	Very low	123 Å²	123	125.1 Å²	125.1	80%	0.799	74%	0.74	S	S	*	*			trans	-89.7	117.1	174.9	34.5	-25.9	0	0	0	110.4
606	D	29.2	Very low	32.3	Very low	164 Å²	164	127.9 Å²	127.9	88%	0.877	75%	0.748	S	S	*	*			trans	-141.5	108.6	156.1	-86.7	-38.1	0	0	0	108.8
607	N	29.5	Very low	30.2	Very low	157 Å²	157	136.5 Å²	136.5	84%	0.84	78%	0.777	S	S	*	*			trans	-79.6	146.4	156.3	-94.6	-33.4	0	0	0	107
608	P	32.5	Very low	28.9	Very low	118 Å²	118	137 Å²	137	77%	0.766	79%	0.787	S	S	*	*				-157.2	-161.2	63.2	41.1	-17.1	0	0	0	114
609	P	30.5	Very low	27.9	Very low	110 Å²	110	143.1 Å²	143.1	71%	0.714	80%	0.804	S	S	*	*				-126	160.5	-74.8	37.7	-21.6	0	0	0	114.1
610	A	25	Very low	27.3	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	80%	0.796	S	S	*	*			trans	41.9	98.1	149.6	0	0	0	0	0	119.1
611	T	28.3	Very low	26.8	Very low	146 Å²	146	142.3 Å²	142.3	90%	0.896	80%	0.801	S	S	*	*			trans	-138.8	141.3	139.6	-45.7	0	0	0	0	110
612	S	26.4	Very low	26.5	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	80%	0.802	S	S	*	*			trans	-80.4	138.3	-161.5	41.6	0	0	0	0	115.4
613	Q	26	Very low	26.9	Very low	183 Å²	183	132 Å²	132	86%	0.855	80%	0.797	S	S	*	*			trans	82.8	148.8	153.6	-67.9	-174.4	10.8	0	0	120.4
614	P	24.7	Very low	27.7	Very low	110 Å²	110	128.9 Å²	128.9	71%	0.714	78%	0.778	S	S	*	*			cis	-125	145.8	-9.2	24	-2.1	0	0	0	114.8	L616	P614-L616 PolarHBondContact O-N 2.72Å
615	Q	22.4	Very low	29.1	Very low	184 Å²	184	125.4 Å²	125.4	86%	0.86	75%	0.748	S	S	*	*			trans	-42.2	116.2	163.5	-64.5	-180	-24.8	0	0	112.6	R617	Q615-R617 PolarHBondContact O-N 2.83Å
616	L	21.8	Very low	31	Very low	176 Å²	176	122.9 Å²	122.9	92%	0.921	73%	0.727	S	S	*	*			trans	-79.1	111.2	152.2	-81.2	164.6	0	0	0	107.5	P614	P614-L616 PolarHBondContact O-N 2.72Å
617	R	21.9	Very low	33	Very low	206 Å²	206	115.1 Å²	115.1	78%	0.777	69%	0.686	S	S	*	*			trans	-55.9	147.8	178.5	-61.5	-179.8	-173.5	-171.1	1.2	110.8	Q615 F619	Q615-R617 PolarHBondContact O-N 2.83Å; R617-F619 PolarHBondContact O-N 3.05Å
618	P	23.2	Very low	35.3	Very low	128 Å²	128	108.1 Å²	108.1	83%	0.831	65%	0.649	S	S	*	*			trans	-65.2	108.2	165	27.6	-29.3	0	0	0	107.4	G620	P618-G620 PolarHBondContact O-N 2.87Å
619	F	25.9	Very low	37.4	Very low	205 Å²	205	104.8 Å²	104.8	90%	0.899	63%	0.626	S	S	*	*			trans	-72.4	116	172.1	-117.3	-84.5	0	0	0	107.9	R617	R617-F619 PolarHBondContact O-N 3.05Å
620	G	24	Very low	39.8	Very low	51 Å²	51	99.7 Å²	99.7	53%	0.526	59%	0.593	S	S	.	*			trans	-55.7	149.1	-177.8	0	0	0	0	0	112.1	P618 S622	P618-G620 PolarHBondContact O-N 2.87Å; G620-S622 PolarHBondContact O-N 2.85Å
621	S	24.1	Very low	42.2	Very low	114 Å²	114	99.9 Å²	99.9	80%	0.797	58%	0.584	S	S	*	*	S	Bend	trans	-6.4	124.3	141.4	52.8	0	0	0	0	114.8
622	S	26.5	Very low	44.5	Very low	119 Å²	119	96.3 Å²	96.3	83%	0.832	57%	0.565	S	S	*	*			trans	85.4	107.2	164.2	66.8	0	0	0	0	119.7	G620	G620-S622 PolarHBondContact O-N 2.85Å
623	G	38.3	Very low	47.2	Very low	77 Å²	77	94.3 Å²	94.3	79%	0.794	55%	0.551	S	S	*	*				88.7	115.8	126.8	0	0	0	0	0	119.8
624	A	44.2	Very low	49.6	Very low	43 Å²	43	88 Å²	88	36%	0.355	53%	0.534	S	S	.	.			trans	88.7	124.2	158.1	0	0	0	0	0	118.8	Q638 L639 K640	A624-Q638 HydrophobicContact CB-CB 4.21Å; A624-L639 WeakPolarHBondContact CA-O 3.44Å; A624-K640 HydrophobicContact CB-CG 4.3Å
625	V	57.6	Low	52.1	Low	20 Å²	20	84.8 Å²	84.8	12%	0.121	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.8	-173.1	150.6	0	0	0	0	109.5	Q638 L639 Y672 T674 V690	V625-Q638 CarbonylContact O-C 3.4Å; V625-Q638 WeakPolarHBondContact O-CA 3.32Å; V625-L639 HydrophobicContact CB-CB 4.27Å; V625-L639 HydrophobicContact CG1-CB 4.35Å; V625-L639 PolarHBondContact N-O 2.99Å; V625-L639 PolarHBondContact O-N 3.38Å; V625-Y672 HydrophobicContact CB-CD2 4.06Å; V625-Y672 HydrophobicContact CB-CE2 4.23Å; V625-Y672 HydrophobicContact CG1-CD2 4.45Å; V625-Y672 HydrophobicContact CG2-CD2 3.99Å; V625-Y672 HydrophobicContact CG2-CE2 4.21Å; V625-T674 WeakPolarHBondContact CB-OG1 3.45Å; V625-T674 HydrophobicContact CG1-CG2 3.85Å; V625-T674 WeakPolarHBondContact CG1-OG1 3.36Å; V625-T674 WeakPolarHBondContact CG2-OG1 3.34Å; V625-V690 HydrophobicContact CG1-CG1 4.32Å
626	N	68.9	Low	54.8	Low	69 Å²	69	82.3 Å²	82.3	37%	0.369	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129	-178.1	-67.9	-7.3	0	0	0	111.7	M637 Q638 T674	N626-M637 CarbonylContact C-O 3.6Å; N626-M637 WeakPolarHBondContact CA-O 3.18Å; N626-Q638 VanDerWaalsContact OD1-CG 3.23Å; N626-Q638 WeakPolarHBondContact OD1-CG 3.48Å; N626-Q638 PolarHBondContact OD1-NE2 3.35Å; N626-T674 WeakPolarHBondContact O-CG2 3.35Å
627	C	71.7	Confident	57.8	Low	1 Å²	1	74.1 Å²	74.1	1%	0.007	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	-25.2	-170.2	52.1	0	0	0	0	116.1	M637 L639 V649 V688 V690	C627-M637 PolarHBondContact N-O 2.76Å; C627-M637 PolarHBondContact SG-O 3.1Å; C627-M637 VanDerWaalsContact SG-O 3.34Å; C627-L639 HydrophobicContact CB-CD1 4.37Å; C627-V649 WeakPolarHBondContact SG-CG1 3.39Å; C627-V688 PolarHBondContact O-N 2.95Å; C627-V690 HydrophobicContact CB-CG2 3.21Å
628	T	76.8	Confident	60.7	Low	10 Å²	10	66.3 Å²	66.3	6%	0.061	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	175.6	178.9	-177.9	0	0	0	0	110.4	F636 M637 V649 T710	T628-F636 CarbonylContact O-C 3.56Å; T628-F636 WeakPolarHBondContact O-CA 3.46Å; T628-M637 HydrophobicContact CG2-CB 3.72Å; T628-M637 HydrophobicContact CG2-CG 3.97Å; T628-M637 HydrophobicContact CG2-SD 4.07Å; T628-M637 PolarHBondContact O-N 3.43Å; T628-V649 HydrophobicContact CG2-CG1 4.37Å; T628-T710 WeakPolarHBondContact CB-OG1 3.5Å; T628-T710 WeakPolarHBondContact OG1-CB 2.95Å; T628-T710 VanDerWaalsContact OG1-CG2 3.31Å; T628-T710 WeakPolarHBondContact OG1-CG2 3.35Å; T628-T710 PolarHBondContact OG1-OG1 3.39Å
629	V	76.3	Confident	63.7	Low	48 Å²	48	60.2 Å²	60.2	29%	0.291	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.8	170.1	-154.7	0	0	0	0	109.8	G634 R685	V629-G634 WeakPolarHBondContact CG1-O 2.86Å; V629-R685 WeakPolarHBondContact CG2-O 3.43Å
630	C	81.5	Confident	66.5	Low	4 Å²	4	53 Å²	53	3%	0.027	36%	0.359	C	S	.	.			trans	-75.7	126.1	-179.6	178.4	0	0	0	0	110.6	S632 G634 S635 M637 C651 C657	C630-S632 PolarHBondContact O-N 2.77Å; C630-S632 PolarHBondContact SG-N 2.77Å; C630-S632 VanDerWaalsContact SG-N 3.45Å; C630-G634 WeakPolarHBondContact O-CA 3.35Å; C630-G634 PolarHBondContact O-N 3.46Å; C630-S635 WeakPolarHBondContact CB-O 3.31Å; C630-S635 PolarHBondContact N-O 3.37Å; C630-M637 HydrophobicContact CB-CG 3.7Å; C630-M637 HydrophobicContact CB-SD 4.24Å; C630-C651 HydrophobicContact CB-CB 4.39Å; C630-C657 VanDerWaalsContact SG-SG 3.64Å
631	T	75.7	Confident	69.5	Low	102 Å²	102	54.2 Å²	54.2	63%	0.626	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.1	179.6	51.4	0	0	0	0	113.6
632	S	76.8	Confident	72.2	Confident	71 Å²	71	50 Å²	50	50%	0.497	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-24.4	-177.7	-65	0	0	0	0	113.7	C630 E659	C630-S632 PolarHBondContact O-N 2.77Å; C630-S632 PolarHBondContact SG-N 2.77Å; C630-S632 VanDerWaalsContact SG-N 3.45Å; S632-E659 PolarHBondContact OG-OE1 2.78Å
633	C	82.1	Confident	74.4	Confident	60 Å²	60	56 Å²	56	41%	0.405	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	-1.7	-177.3	69.7	0	0	0	0	115.8	S635 C651 C657	C633-S635 PolarHBondContact O-N 3.08Å; C633-C651 PolarHBondContact SG-SG 2.81Å; C633-C657 HydrophobicContact CB-CB 4.1Å; C633-C657 VanDerWaalsContact SG-CB 3.57Å; C633-C657 PolarHBondContact SG-SG 2.91Å
634	G	76.9	Confident	76.3	Confident	49 Å²	49	56.3 Å²	56.3	51%	0.505	32%	0.323	S	S	.	.	S	Bend	trans	75.5	-3.3	-179.2	0	0	0	0	0	115.7	V629 C630	V629-G634 WeakPolarHBondContact CG1-O 2.86Å; C630-G634 WeakPolarHBondContact O-CA 3.35Å; C630-G634 PolarHBondContact O-N 3.46Å
635	S	78.6	Confident	77.9	Confident	43 Å²	43	56.4 Å²	56.4	30%	0.301	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-74.6	156.1	174	-60.7	0	0	0	0	111.9	C630 C633	C630-S635 WeakPolarHBondContact CB-O 3.31Å; C630-S635 PolarHBondContact N-O 3.37Å; C633-S635 PolarHBondContact O-N 3.08Å
636	F	78	Confident	79.2	Confident	132 Å²	132	59.7 Å²	59.7	58%	0.579	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	143.7	177	-32.4	-76.7	0	0	0	110.9	T628 S652	T628-F636 CarbonylContact O-C 3.56Å; T628-F636 WeakPolarHBondContact O-CA 3.46Å; F636-S652 PolarHBondContact N-OG 3.12Å; F636-S652 WeakPolarHBondContact O-CB 3.46Å; F636-S652 PolarHBondContact O-N 3.09Å; F636-S652 PolarHBondContact O-OG 3.44Å
637	M	84.1	Confident	80.2	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.5	169.7	-57.6	-158	76.4	0	0	110.2	N626 C627 T628 C630 V649 G650 C651 E659 I661	N626-M637 CarbonylContact C-O 3.6Å; N626-M637 WeakPolarHBondContact CA-O 3.18Å; C627-M637 PolarHBondContact N-O 2.76Å; C627-M637 PolarHBondContact SG-O 3.1Å; C627-M637 VanDerWaalsContact SG-O 3.34Å; T628-M637 HydrophobicContact CG2-CB 3.72Å; T628-M637 HydrophobicContact CG2-CG 3.97Å; T628-M637 HydrophobicContact CG2-SD 4.07Å; T628-M637 PolarHBondContact O-N 3.43Å; C630-M637 HydrophobicContact CB-CG 3.7Å; C630-M637 HydrophobicContact CB-SD 4.24Å; M637-V649 HydrophobicContact CB-CG1 3.56Å; M637-V649 HydrophobicContact CE-CG1 4.11Å; M637-V649 VanDerWaalsContact CE-O 3.25Å; M637-V649 WeakPolarHBondContact CE-O 3.07Å; M637-V649 HydrophobicContact CG-CG1 4.47Å; M637-V649 HydrophobicContact SD-CG1 4.16Å; M637-G650 WeakPolarHBondContact CA-O 3.43Å; M637-C651 HydrophobicContact CE-CB 4.32Å; M637-C651 VanDerWaalsContact CE-N 3.35Å; M637-E659 WeakPolarHBondContact CE-O 3.42Å; M637-I661 HydrophobicContact SD-CD1 4.37Å
638	Q	83.9	Confident	81.1	Confident	41 Å²	41	58.3 Å²	58.3	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	-173.1	-45.6	-178	-51.3	0	0	110.4	A624 V625 N626 K640 V649 G650	A624-Q638 HydrophobicContact CB-CB 4.21Å; V625-Q638 CarbonylContact O-C 3.4Å; V625-Q638 WeakPolarHBondContact O-CA 3.32Å; N626-Q638 VanDerWaalsContact OD1-CG 3.23Å; N626-Q638 WeakPolarHBondContact OD1-CG 3.48Å; N626-Q638 PolarHBondContact OD1-NE2 3.35Å; Q638-K640 HydrophobicContact CB-CG 4.42Å; Q638-K640 PolarHBondContact O-N 3.45Å; Q638-V649 CarbonylContact O-C 3.56Å; Q638-V649 WeakPolarHBondContact O-CA 3.41Å; Q638-G650 PolarHBondContact N-O 3.08Å; Q638-G650 PolarHBondContact O-N 3.33Å
639	L	86.8	Confident	81.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.3	165.2	-118.8	92.2	0	0	0	109.2	A624 V625 C627 I647 F648 V649 Y672 V690 L692 F709	A624-L639 WeakPolarHBondContact CA-O 3.44Å; V625-L639 HydrophobicContact CB-CB 4.27Å; V625-L639 HydrophobicContact CG1-CB 4.35Å; V625-L639 PolarHBondContact N-O 2.99Å; V625-L639 PolarHBondContact O-N 3.38Å; C627-L639 HydrophobicContact CB-CD1 4.37Å; L639-I647 HydrophobicContact CD2-CG2 3.61Å; L639-I647 HydrophobicContact CG-CG2 4.08Å; L639-F648 CarbonylContact C-O 3.51Å; L639-F648 WeakPolarHBondContact CA-O 3.44Å; L639-V649 HydrophobicContact CD1-CG2 3.5Å; L639-V649 HydrophobicContact CG-CG2 4.2Å; L639-Y672 HydrophobicContact CB-CD2 3.69Å; L639-Y672 HydrophobicContact CB-CE2 3.61Å; L639-Y672 HydrophobicContact CB-CG 4.39Å; L639-Y672 HydrophobicContact CD2-CD1 3.59Å; L639-Y672 HydrophobicContact CD2-CD2 3.44Å; L639-Y672 VanDerWaalsContact CD2-CD2 3.44Å; L639-Y672 HydrophobicContact CD2-CE1 4.08Å; L639-Y672 HydrophobicContact CD2-CE2 3.96Å; L639-Y672 HydrophobicContact CD2-CG 3.23Å; L639-Y672 HydrophobicContact CG-CD2 4.18Å; L639-Y672 HydrophobicContact CG-CE2 4.37Å; L639-Y672 HydrophobicContact CG-CG 4.4Å; L639-V690 HydrophobicContact CD1-CG1 4.2Å; L639-V690 HydrophobicContact CD1-CG2 4.25Å; L639-V690 HydrophobicContact CD2-CG1 4.33Å; L639-L692 HydrophobicContact CD2-CD2 3.89Å; L639-F709 HydrophobicContact CD1-CD2 3.73Å; L639-F709 HydrophobicContact CD1-CE2 3.34Å; L639-F709 HydrophobicContact CD1-CZ 3.93Å
640	K	84.3	Confident	82.2	Confident	55 Å²	55	55.7 Å²	55.7	24%	0.239	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.1	-177.4	-70	179.8	177.3	176.1	0	109.6	A624 Q638 I647 F648	A624-K640 HydrophobicContact CB-CG 4.3Å; Q638-K640 HydrophobicContact CB-CG 4.42Å; Q638-K640 PolarHBondContact O-N 3.45Å; K640-I647 WeakPolarHBondContact O-CA 3.14Å; K640-F648 HydrophobicContact CB-CD1 4.16Å; K640-F648 HydrophobicContact CB-CE1 3.59Å; K640-F648 HydrophobicContact CB-CE2 4.29Å; K640-F648 HydrophobicContact CB-CZ 3.68Å; K640-F648 HydrophobicContact CD-CE2 4.49Å; K640-F648 HydrophobicContact CD-CZ 4.12Å; K640-F648 HydrophobicContact CG-CZ 4.5Å; K640-F648 PolarHBondContact N-O 2.87Å; K640-F648 VanDerWaalsContact O-CD1 3.29Å; K640-F648 WeakPolarHBondContact O-CD1 3.5Å; K640-F648 PolarHBondContact O-N 3.07Å; K640-F648 VanDerWaalsContact O-O 3.13Å
641	T	85.4	Confident	82.5	Confident	76 Å²	76	55.6 Å²	55.6	47%	0.466	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.6	170.3	-49.9	0	0	0	0	108.3	I647 Y672	T641-I647 HydrophobicContact CG2-CG1 4.33Å; T641-Y672 PolarHBondContact N-OH 2.87Å; T641-Y672 WeakPolarHBondContact OG1-CE1 3.32Å; T641-Y672 PolarHBondContact OG1-OH 2.86Å
642	A	82.6	Confident	82.7	Confident	24 Å²	24	52.8 Å²	52.8	20%	0.198	30%	0.298	C	S	.	.			trans	-68.8	161.7	173.3	0	0	0	0	0	110.6	S644 G645 R646 F648 W662	A642-S644 PolarHBondContact O-N 3.22Å; A642-S644 VanDerWaalsContact O-N 3.07Å; A642-G645 WeakPolarHBondContact O-CA 3.29Å; A642-G645 PolarHBondContact O-N 3.47Å; A642-R646 WeakPolarHBondContact CB-O 3.39Å; A642-R646 PolarHBondContact N-O 3.49Å; A642-F648 HydrophobicContact CB-CD1 4.24Å; A642-F648 HydrophobicContact CB-CE1 4.08Å; A642-W662 HydrophobicContact CB-CH2 4.12Å; A642-W662 HydrophobicContact CB-CZ3 4.3Å
643	R	72.1	Confident	82.6	Confident	245 Å²	245	50.3 Å²	50.3	93%	0.925	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.6	175	-74.9	-176.1	-178.1	177.4	-0.9	113.8	G645	R643-G645 PolarHBondContact O-N 3.4Å
644	S	77	Confident	82.3	Confident	85 Å²	85	55 Å²	55	59%	0.594	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.9	173.6	59.1	0	0	0	0	114.1	A642 R646	A642-S644 PolarHBondContact O-N 3.22Å; A642-S644 VanDerWaalsContact O-N 3.07Å; S644-R646 VanDerWaalsContact C-N 3.26Å; S644-R646 PolarHBondContact O-N 2.63Å
645	G	78.1	Confident	82.5	Confident	45 Å²	45	56.7 Å²	56.7	46%	0.464	30%	0.296	S	S	.	.	S	Bend	trans	82.4	-6.6	-172.5	0	0	0	0	0	114.3	A642 R643	A642-G645 WeakPolarHBondContact O-CA 3.29Å; A642-G645 PolarHBondContact O-N 3.47Å; R643-G645 PolarHBondContact O-N 3.4Å
646	R	85.1	Confident	82.5	Confident	88 Å²	88	61.3 Å²	61.3	33%	0.332	32%	0.323	S	S	.	.			trans	-73.8	140.9	176.7	-65	-171.9	98.3	169.9	10.2	111.4	A642 S644 W662 R664 S666	A642-R646 WeakPolarHBondContact CB-O 3.39Å; A642-R646 PolarHBondContact N-O 3.49Å; S644-R646 VanDerWaalsContact C-N 3.26Å; S644-R646 PolarHBondContact O-N 2.63Å; R646-W662 HydrophobicContact CB-CZ3 4.06Å; R646-R664 PolarHBondContact NH2-O 2.87Å; R646-S666 WeakPolarHBondContact CA-OG 3.26Å; R646-S666 WeakPolarHBondContact CB-OG 3.12Å
647	I	89.5	Confident	82.4	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.036	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.5	-178.6	-61.8	163.8	0	0	0	109.3	L639 K640 T641 I663 S666 I669 Y672	L639-I647 HydrophobicContact CD2-CG2 3.61Å; L639-I647 HydrophobicContact CG-CG2 4.08Å; K640-I647 WeakPolarHBondContact O-CA 3.14Å; T641-I647 HydrophobicContact CG2-CG1 4.33Å; I647-I663 HydrophobicContact CG2-CD1 3.94Å; I647-I663 WeakPolarHBondContact O-CB 3.47Å; I647-I663 PolarHBondContact O-N 2.9Å; I647-S666 PolarHBondContact N-OG 2.89Å; I647-I669 HydrophobicContact CD1-CB 3.6Å; I647-I669 HydrophobicContact CD1-CG2 3.5Å; I647-Y672 HydrophobicContact CD1-CD1 3.85Å; I647-Y672 HydrophobicContact CD1-CE1 3.78Å; I647-Y672 HydrophobicContact CG1-CD1 4.4Å; I647-Y672 HydrophobicContact CG1-CE1 3.9Å; I647-Y672 HydrophobicContact CG2-CD1 4.1Å; I647-Y672 HydrophobicContact CG2-CE1 3.85Å
648	F	90.8	Very high	82.5	Confident	35 Å²	35	63.6 Å²	63.6	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163	179.3	73.4	-77.4	0	0	0	110.3	L639 K640 A642 A660 I661 W662	L639-F648 CarbonylContact C-O 3.51Å; L639-F648 WeakPolarHBondContact CA-O 3.44Å; K640-F648 HydrophobicContact CB-CD1 4.16Å; K640-F648 HydrophobicContact CB-CE1 3.59Å; K640-F648 HydrophobicContact CB-CE2 4.29Å; K640-F648 HydrophobicContact CB-CZ 3.68Å; K640-F648 HydrophobicContact CD-CE2 4.49Å; K640-F648 HydrophobicContact CD-CZ 4.12Å; K640-F648 HydrophobicContact CG-CZ 4.5Å; K640-F648 PolarHBondContact N-O 2.87Å; K640-F648 VanDerWaalsContact O-CD1 3.29Å; K640-F648 WeakPolarHBondContact O-CD1 3.5Å; K640-F648 PolarHBondContact O-N 3.07Å; K640-F648 VanDerWaalsContact O-O 3.13Å; A642-F648 HydrophobicContact CB-CD1 4.24Å; A642-F648 HydrophobicContact CB-CE1 4.08Å; F648-A660 HydrophobicContact CD2-CB 4Å; F648-A660 HydrophobicContact CE2-CB 4.35Å; F648-I661 CarbonylContact C-O 3.47Å; F648-I661 WeakPolarHBondContact CA-O 3.5Å; F648-I661 WeakPolarHBondContact CB-O 3.4Å; F648-W662 HydrophobicContact CB-CD2 3.84Å; F648-W662 HydrophobicContact CB-CE3 3.66Å; F648-W662 HydrophobicContact CB-CG 4.36Å; F648-W662 HydrophobicContact CB-CH2 4.43Å; F648-W662 HydrophobicContact CB-CZ3 3.97Å; F648-W662 HydrophobicContact CD1-CH2 4.07Å; F648-W662 HydrophobicContact CD1-CZ3 4.07Å; F648-W662 HydrophobicContact CG-CD2 4.48Å; F648-W662 HydrophobicContact CG-CE3 4.32Å; F648-W662 HydrophobicContact CG-CH2 4.23Å; F648-W662 HydrophobicContact CG-CZ2 4.39Å; F648-W662 HydrophobicContact CG-CZ3 4.18Å
649	V	89.5	Confident	82.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.3	174	-179.1	0	0	0	0	108	C627 T628 M637 Q638 L639 A660 I661 F709	C627-V649 WeakPolarHBondContact SG-CG1 3.39Å; T628-V649 HydrophobicContact CG2-CG1 4.37Å; M637-V649 HydrophobicContact CB-CG1 3.56Å; M637-V649 HydrophobicContact CE-CG1 4.11Å; M637-V649 VanDerWaalsContact CE-O 3.25Å; M637-V649 WeakPolarHBondContact CE-O 3.07Å; M637-V649 HydrophobicContact CG-CG1 4.47Å; M637-V649 HydrophobicContact SD-CG1 4.16Å; Q638-V649 CarbonylContact O-C 3.56Å; Q638-V649 WeakPolarHBondContact O-CA 3.41Å; L639-V649 HydrophobicContact CD1-CG2 3.5Å; L639-V649 HydrophobicContact CG-CG2 4.2Å; V649-A660 CarbonylContact O-C 3.49Å; V649-A660 WeakPolarHBondContact O-CA 3.35Å; V649-I661 HydrophobicContact CB-CB 4.14Å; V649-I661 PolarHBondContact N-O 3.34Å; V649-I661 PolarHBondContact O-N 2.97Å; V649-F709 HydrophobicContact CG2-CB 4.27Å; V649-F709 HydrophobicContact CG2-CD1 4.09Å; V649-F709 HydrophobicContact CG2-CD2 4.22Å; V649-F709 HydrophobicContact CG2-CE1 4.45Å; V649-F709 HydrophobicContact CG2-CG 3.94Å
650	G	88.2	Confident	82.6	Confident	3 Å²	3	67.2 Å²	67.2	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.3	-176.2	0	0	0	0	0	113	M637 Q638	M637-G650 WeakPolarHBondContact CA-O 3.43Å; Q638-G650 PolarHBondContact N-O 3.08Å; Q638-G650 PolarHBondContact O-N 3.33Å
651	C	86.3	Confident	82.8	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137	175.1	-171.1	0	0	0	0	111.4	C630 C633 M637 G653 Y654 C657 E659	C630-C651 HydrophobicContact CB-CB 4.39Å; C633-C651 PolarHBondContact SG-SG 2.81Å; M637-C651 HydrophobicContact CE-CB 4.32Å; M637-C651 VanDerWaalsContact CE-N 3.35Å; C651-G653 PolarHBondContact O-N 2.97Å; C651-G653 PolarHBondContact SG-N 3.38Å; C651-Y654 PolarHBondContact O-N 2.95Å; C651-C657 HydrophobicContact CB-CB 4.26Å; C651-C657 VanDerWaalsContact SG-SG 3.67Å; C651-E659 HydrophobicContact CB-CB 4.49Å; C651-E659 WeakPolarHBondContact CB-O 3.3Å; C651-E659 PolarHBondContact N-O 3.5Å
652	S	81.3	Confident	82.9	Confident	43 Å²	43	68.2 Å²	68.2	30%	0.301	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.1	172.3	56.7	0	0	0	0	112.4	F636 Y654	F636-S652 PolarHBondContact N-OG 3.12Å; F636-S652 WeakPolarHBondContact O-CB 3.46Å; F636-S652 PolarHBondContact O-N 3.09Å; F636-S652 PolarHBondContact O-OG 3.44Å; S652-Y654 PolarHBondContact O-N 3.09Å; S652-Y654 VanDerWaalsContact O-N 3.15Å
653	G	73.6	Confident	83.2	Confident	19 Å²	19	67 Å²	67	20%	0.196	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	9.5	173.1	0	0	0	0	0	114.8	C651 T656 C657	C651-G653 PolarHBondContact O-N 2.97Å; C651-G653 PolarHBondContact SG-N 3.38Å; G653-T656 WeakPolarHBondContact O-CA 3.43Å; G653-T656 WeakPolarHBondContact O-CB 3.19Å; G653-T656 PolarHBondContact O-N 2.77Å; G653-T656 PolarHBondContact O-OG1 2.77Å; G653-C657 PolarHBondContact O-N 3.11Å
654	Y	76.6	Confident	83.8	Confident	158 Å²	158	63.4 Å²	63.4	62%	0.62	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	138.4	172.1	-178.9	-86.6	0	0	0	110.3	C651 S652 C657	C651-Y654 PolarHBondContact O-N 2.95Å; S652-Y654 PolarHBondContact O-N 3.09Å; S652-Y654 VanDerWaalsContact O-N 3.15Å; Y654-C657 WeakPolarHBondContact CA-O 3.35Å
655	P	79.7	Confident	84.3	Confident	84 Å²	84	63.2 Å²	63.2	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.3	-8.3	10.7	32.9	-34.8	0	0	0	116.1
656	T	78.9	Confident	84.8	Confident	141 Å²	141	61.2 Å²	61.2	87%	0.865	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-43.9	-175.6	-7.4	0	0	0	0	112.2	G653	G653-T656 WeakPolarHBondContact O-CA 3.43Å; G653-T656 WeakPolarHBondContact O-CB 3.19Å; G653-T656 PolarHBondContact O-N 2.77Å; G653-T656 PolarHBondContact O-OG1 2.77Å
657	C	76.8	Confident	84.9	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.108	31%	0.306	C	S	.	.			trans	-105.6	113.1	170.1	-174.4	0	0	0	0	109.3	C630 C633 C651 G653 Y654 E659	C630-C657 VanDerWaalsContact SG-SG 3.64Å; C633-C657 HydrophobicContact CB-CB 4.1Å; C633-C657 VanDerWaalsContact SG-CB 3.57Å; C633-C657 PolarHBondContact SG-SG 2.91Å; C651-C657 HydrophobicContact CB-CB 4.26Å; C651-C657 VanDerWaalsContact SG-SG 3.67Å; G653-C657 PolarHBondContact O-N 3.11Å; Y654-C657 WeakPolarHBondContact CA-O 3.35Å; C657-E659 PolarHBondContact O-N 2.65Å
658	K	85	Confident	84.9	Confident	168 Å²	168	62.8 Å²	62.8	73%	0.73	31%	0.312	S	S	*	.			trans	-87.9	10.5	-177.8	-64.9	-174.7	-179.1	176.9	0	113.7	A660	K658-A660 PolarHBondContact O-N 3.06Å
659	E	85.1	Confident	84.8	Confident	85 Å²	85	61.3 Å²	61.3	40%	0.397	31%	0.305	S	S	.	.			trans	-69.5	132.4	-170.2	-155.7	58.7	97.3	0	0	112.1	S632 M637 C651 C657	S632-E659 PolarHBondContact OG-OE1 2.78Å; M637-E659 WeakPolarHBondContact CE-O 3.42Å; C651-E659 HydrophobicContact CB-CB 4.49Å; C651-E659 WeakPolarHBondContact CB-O 3.3Å; C651-E659 PolarHBondContact N-O 3.5Å; C657-E659 PolarHBondContact O-N 2.65Å
660	A	88.8	Confident	84.7	Confident	32 Å²	32	64.4 Å²	64.4	26%	0.264	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	134.5	-173.9	0	0	0	0	0	113.1	F648 V649 K658	F648-A660 HydrophobicContact CD2-CB 4Å; F648-A660 HydrophobicContact CE2-CB 4.35Å; V649-A660 CarbonylContact O-C 3.49Å; V649-A660 WeakPolarHBondContact O-CA 3.35Å; K658-A660 PolarHBondContact O-N 3.06Å
661	I	87.5	Confident	84.8	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115	174.8	-51.9	168.4	0	0	0	108.5	M637 F648 V649 V721 L723	M637-I661 HydrophobicContact SD-CD1 4.37Å; F648-I661 CarbonylContact C-O 3.47Å; F648-I661 WeakPolarHBondContact CA-O 3.5Å; F648-I661 WeakPolarHBondContact CB-O 3.4Å; V649-I661 HydrophobicContact CB-CB 4.14Å; V649-I661 PolarHBondContact N-O 3.34Å; V649-I661 PolarHBondContact O-N 2.97Å; I661-V721 HydrophobicContact CG2-CG1 3.42Å; I661-V721 VanDerWaalsContact CG2-CG1 3.42Å; I661-L723 HydrophobicContact CD1-CD2 4.31Å
662	W	88.1	Confident	85	Confident	131 Å²	131	69 Å²	69	50%	0.496	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.2	179.1	-72.8	89	0	0	0	111.7	A642 R646 F648	A642-W662 HydrophobicContact CB-CH2 4.12Å; A642-W662 HydrophobicContact CB-CZ3 4.3Å; R646-W662 HydrophobicContact CB-CZ3 4.06Å; F648-W662 HydrophobicContact CB-CD2 3.84Å; F648-W662 HydrophobicContact CB-CE3 3.66Å; F648-W662 HydrophobicContact CB-CG 4.36Å; F648-W662 HydrophobicContact CB-CH2 4.43Å; F648-W662 HydrophobicContact CB-CZ3 3.97Å; F648-W662 HydrophobicContact CD1-CH2 4.07Å; F648-W662 HydrophobicContact CD1-CZ3 4.07Å; F648-W662 HydrophobicContact CG-CD2 4.48Å; F648-W662 HydrophobicContact CG-CE3 4.32Å; F648-W662 HydrophobicContact CG-CH2 4.23Å; F648-W662 HydrophobicContact CG-CZ2 4.39Å; F648-W662 HydrophobicContact CG-CZ3 4.18Å
663	I	89.4	Confident	85.2	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.			trans	-90.3	110.8	173.7	-50.3	-178.9	0	0	0	107.4	I647 Q665 S666 I669 F709 L719 V721	I647-I663 HydrophobicContact CG2-CD1 3.94Å; I647-I663 WeakPolarHBondContact O-CB 3.47Å; I647-I663 PolarHBondContact O-N 2.9Å; I663-Q665 VanDerWaalsContact C-N 3.3Å; I663-Q665 PolarHBondContact O-N 2.9Å; I663-S666 WeakPolarHBondContact O-CB 3.35Å; I663-S666 PolarHBondContact O-N 2.81Å; I663-S666 VanDerWaalsContact O-N 3.16Å; I663-I669 HydrophobicContact CD1-CD1 3.55Å; I663-I669 HydrophobicContact CG2-CD1 3.94Å; I663-F709 HydrophobicContact CD1-CE1 3.6Å; I663-F709 HydrophobicContact CD1-CZ 3.66Å; I663-F709 HydrophobicContact CG1-CE1 4.05Å; I663-L719 HydrophobicContact CG2-CB 3.81Å; I663-V721 HydrophobicContact CB-CG2 4.45Å; I663-V721 HydrophobicContact CG1-CG2 4.16Å; I663-V721 HydrophobicContact CG2-CG2 4.13Å
664	R	84.9	Confident	85.4	Confident	169 Å²	169	70.9 Å²	70.9	64%	0.638	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-46.8	-176.4	-111.5	-172.5	-175.3	-166.3	4.8	111.5	R646 S666 L719	R646-R664 PolarHBondContact NH2-O 2.87Å; R664-S666 VanDerWaalsContact C-N 3.28Å; R664-S666 PolarHBondContact O-N 3.3Å; R664-L719 PolarHBondContact N-O 3.43Å
665	Q	87.3	Confident	85.5	Confident	81 Å²	81	64.1 Å²	64.1	38%	0.379	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	38.7	179.3	-64.7	-174.1	-20.6	0	0	111.5	I663 D667 L668 S718 L719	I663-Q665 VanDerWaalsContact C-N 3.3Å; I663-Q665 PolarHBondContact O-N 2.9Å; Q665-D667 VanDerWaalsContact CA-OD1 3.22Å; Q665-D667 WeakPolarHBondContact CA-OD1 3.4Å; Q665-D667 PolarHBondContact O-N 3.38Å; Q665-D667 VanDerWaalsContact O-N 3.13Å; Q665-L668 HydrophobicContact CB-CD1 3.75Å; Q665-L668 HydrophobicContact CB-CG 3.92Å; Q665-L668 HydrophobicContact CG-CD1 4.27Å; Q665-L668 VanDerWaalsContact O-CB 3.25Å; Q665-L668 WeakPolarHBondContact O-CB 3.45Å; Q665-L668 PolarHBondContact O-N 2.86Å; Q665-S718 PolarHBondContact OE1-O 3.12Å; Q665-L719 PolarHBondContact N-O 3.33Å; Q665-L719 VanDerWaalsContact N-O 3.08Å
666	S	89	Confident	85.5	Confident	3 Å²	3	68 Å²	68	2%	0.021	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24	178.4	67.8	0	0	0	0	113.2	R646 I647 I663 R664 L668 I669	R646-S666 WeakPolarHBondContact CA-OG 3.26Å; R646-S666 WeakPolarHBondContact CB-OG 3.12Å; I647-S666 PolarHBondContact N-OG 2.89Å; I663-S666 WeakPolarHBondContact O-CB 3.35Å; I663-S666 PolarHBondContact O-N 2.81Å; I663-S666 VanDerWaalsContact O-N 3.16Å; R664-S666 VanDerWaalsContact C-N 3.28Å; R664-S666 PolarHBondContact O-N 3.3Å; S666-L668 PolarHBondContact O-N 2.88Å; S666-I669 PolarHBondContact O-N 2.84Å
667	D	86.8	Confident	85.7	Confident	98 Å²	98	65.8 Å²	65.8	52%	0.524	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-61.5	-22.4	172.5	55.4	-56.4	0	0	0	112.7	Q665 I669 K695	Q665-D667 VanDerWaalsContact CA-OD1 3.22Å; Q665-D667 WeakPolarHBondContact CA-OD1 3.4Å; Q665-D667 PolarHBondContact O-N 3.38Å; Q665-D667 VanDerWaalsContact O-N 3.13Å; D667-I669 VanDerWaalsContact C-N 3.32Å; D667-K695 WeakPolarHBondContact O-CD 3.2Å; D667-K695 WeakPolarHBondContact O-CE 3.48Å; D667-K695 PolarHBondContact O-NZ 3.39Å
668	L	89	Confident	86.1	Confident	30 Å²	30	70.5 Å²	70.5	16%	0.157	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-76.5	-13.1	169.8	-61.2	-175.3	0	0	0	113.4	Q665 S666 L694 K695 S698 L719	Q665-L668 HydrophobicContact CB-CD1 3.75Å; Q665-L668 HydrophobicContact CB-CG 3.92Å; Q665-L668 HydrophobicContact CG-CD1 4.27Å; Q665-L668 VanDerWaalsContact O-CB 3.25Å; Q665-L668 WeakPolarHBondContact O-CB 3.45Å; Q665-L668 PolarHBondContact O-N 2.86Å; S666-L668 PolarHBondContact O-N 2.88Å; L668-L694 CarbonylContact O-C 3.58Å; L668-L694 WeakPolarHBondContact O-CA 3.41Å; L668-L694 WeakPolarHBondContact O-CB 3.36Å; L668-L694 WeakPolarHBondContact O-CD2 3.25Å; L668-K695 PolarHBondContact O-N 2.89Å; L668-S698 PolarHBondContact O-OG 3.11Å; L668-L719 HydrophobicContact CB-CD2 4.37Å; L668-L719 HydrophobicContact CD1-CD2 4.45Å
669	I	89.4	Confident	86	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.1	-178.2	-57.7	165.1	0	0	0	108.8	I647 I663 S666 D667 S671 Y672 L692 L694 K695 L719	I647-I669 HydrophobicContact CD1-CB 3.6Å; I647-I669 HydrophobicContact CD1-CG2 3.5Å; I663-I669 HydrophobicContact CD1-CD1 3.55Å; I663-I669 HydrophobicContact CG2-CD1 3.94Å; S666-I669 PolarHBondContact O-N 2.84Å; D667-I669 VanDerWaalsContact C-N 3.32Å; I669-S671 WeakPolarHBondContact CG2-O 3.01Å; I669-Y672 HydrophobicContact CG2-CD1 4.27Å; I669-L692 HydrophobicContact CD1-CD1 4.17Å; I669-L692 HydrophobicContact CD1-CD2 4.21Å; I669-L692 HydrophobicContact CG2-CD2 4.29Å; I669-L694 HydrophobicContact CB-CD2 4.38Å; I669-L694 HydrophobicContact CG1-CD2 3.66Å; I669-K695 VanDerWaalsContact O-CE 3.29Å; I669-K695 WeakPolarHBondContact O-CE 3.48Å; I669-L719 HydrophobicContact CD1-CD1 4.39Å; I669-L719 HydrophobicContact CD1-CD2 4.46Å; I669-L719 HydrophobicContact CG1-CD2 4.26Å
670	S	87.9	Confident	85.9	Confident	64 Å²	64	64 Å²	64	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-44.3	177.8	71.1	0	0	0	0	111.8	R693	S670-R693 WeakPolarHBondContact CA-O 3.38Å; S670-R693 WeakPolarHBondContact CB-O 3.01Å; S670-R693 PolarHBondContact N-O 2.81Å; S670-R693 WeakPolarHBondContact OG-CB 3.33Å; S670-R693 PolarHBondContact OG-O 2.98Å
671	S	89.8	Confident	85.7	Confident	54 Å²	54	71.4 Å²	71.4	38%	0.378	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	165.5	179.6	52.7	0	0	0	0	108.9	I669 R693	I669-S671 WeakPolarHBondContact CG2-O 3.01Å; S671-R693 PolarHBondContact N-O 2.94Å; S671-R693 PolarHBondContact O-N 2.76Å; S671-R693 VanDerWaalsContact OG-CB 3.26Å; S671-R693 WeakPolarHBondContact OG-CB 3.42Å
672	Y	90.6	Very high	85.4	Confident	47 Å²	47	70.8 Å²	70.8	18%	0.184	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	145.4	-179.7	51.2	-94.8	0	0	0	110	V625 L639 T641 I647 I669 E691	V625-Y672 HydrophobicContact CB-CD2 4.06Å; V625-Y672 HydrophobicContact CB-CE2 4.23Å; V625-Y672 HydrophobicContact CG1-CD2 4.45Å; V625-Y672 HydrophobicContact CG2-CD2 3.99Å; V625-Y672 HydrophobicContact CG2-CE2 4.21Å; L639-Y672 HydrophobicContact CB-CD2 3.69Å; L639-Y672 HydrophobicContact CB-CE2 3.61Å; L639-Y672 HydrophobicContact CB-CG 4.39Å; L639-Y672 HydrophobicContact CD2-CD1 3.59Å; L639-Y672 HydrophobicContact CD2-CD2 3.44Å; L639-Y672 VanDerWaalsContact CD2-CD2 3.44Å; L639-Y672 HydrophobicContact CD2-CE1 4.08Å; L639-Y672 HydrophobicContact CD2-CE2 3.96Å; L639-Y672 HydrophobicContact CD2-CG 3.23Å; L639-Y672 HydrophobicContact CG-CD2 4.18Å; L639-Y672 HydrophobicContact CG-CE2 4.37Å; L639-Y672 HydrophobicContact CG-CG 4.4Å; T641-Y672 PolarHBondContact N-OH 2.87Å; T641-Y672 WeakPolarHBondContact OG1-CE1 3.32Å; T641-Y672 PolarHBondContact OG1-OH 2.86Å; I647-Y672 HydrophobicContact CD1-CD1 3.85Å; I647-Y672 HydrophobicContact CD1-CE1 3.78Å; I647-Y672 HydrophobicContact CG1-CD1 4.4Å; I647-Y672 HydrophobicContact CG1-CE1 3.9Å; I647-Y672 HydrophobicContact CG2-CD1 4.1Å; I647-Y672 HydrophobicContact CG2-CE1 3.85Å; I669-Y672 HydrophobicContact CG2-CD1 4.27Å; Y672-E691 CarbonylContact C-O 3.55Å; Y672-E691 VanDerWaalsContact CA-O 3.23Å; Y672-E691 WeakPolarHBondContact CA-O 3.11Å
673	A	85.3	Confident	84.7	Confident	45 Å²	45	68.6 Å²	68.6	37%	0.372	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.4	178.2	0	0	0	0	0	110.4	V690 E691	A673-V690 WeakPolarHBondContact O-CG1 3.23Å; A673-E691 PolarHBondContact N-O 3.15Å; A673-E691 PolarHBondContact O-N 3.12Å
674	T	77.1	Confident	83.7	Confident	57 Å²	57	75.8 Å²	75.8	35%	0.35	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137	171	-22.7	0	0	0	0	108.6	V625 N626	V625-T674 WeakPolarHBondContact CB-OG1 3.45Å; V625-T674 HydrophobicContact CG1-CG2 3.85Å; V625-T674 WeakPolarHBondContact CG1-OG1 3.36Å; V625-T674 WeakPolarHBondContact CG2-OG1 3.34Å; N626-T674 WeakPolarHBondContact O-CG2 3.35Å
675	T	79.7	Confident	82.9	Confident	16 Å²	16	72.5 Å²	72.5	10%	0.098	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	162.2	167.2	76.3	0	0	0	0	109.5	E677 V688 L689 E691 K706	T675-E677 PolarHBondContact OG1-N 2.78Å; T675-V688 VanDerWaalsContact O-CG1 3.25Å; T675-V688 WeakPolarHBondContact O-CG1 3.37Å; T675-L689 WeakPolarHBondContact CB-O 2.85Å; T675-L689 WeakPolarHBondContact CG2-O 3.46Å; T675-L689 PolarHBondContact N-O 3.28Å; T675-L689 WeakPolarHBondContact OG1-CB 2.96Å; T675-L689 PolarHBondContact OG1-O 2.68Å; T675-E691 HydrophobicContact CG2-CB 3.89Å; T675-K706 HydrophobicContact CG2-CD 4.28Å; T675-K706 HydrophobicContact CG2-CG 4.31Å
676	N	79.7	Confident	82	Confident	166 Å²	166	71.6 Å²	71.6	89%	0.888	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	1.8	172	-54.6	-14.2	0	0	0	111.7
677	E	83.3	Confident	81.4	Confident	94 Å²	94	71.5 Å²	71.5	44%	0.439	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.9	-175.6	-69.1	169.9	-167	0	0	110.5	T675 V688 L689 K706	T675-E677 PolarHBondContact OG1-N 2.78Å; E677-V688 WeakPolarHBondContact O-CA 3.25Å; E677-V688 WeakPolarHBondContact O-CG1 3.34Å; E677-L689 HydrophobicContact CB-CD1 4.11Å; E677-L689 PolarHBondContact O-N 2.86Å; E677-K706 IonicContact OE1-NZ 2.78Å; E677-K706 PolarHBondContact OE1-NZ 3.12Å; E677-K706 WeakPolarHBondContact OE2-CD 3.47Å; E677-K706 IonicContact OE2-NZ 2.77Å; E677-K706 PolarHBondContact OE2-NZ 3.13Å
678	Q	83.6	Confident	81.1	Confident	116 Å²	116	68.5 Å²	68.5	54%	0.542	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.7	170.6	-80.3	-175	-4.9	0	0	111.1	P680 S687	Q678-P680 WeakPolarHBondContact O-CD 3.44Å; Q678-S687 WeakPolarHBondContact CA-O 3.46Å
679	C	84.5	Confident	81	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.034	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.1	122.8	172.5	177.9	0	0	0	0	110	R681 C682 S687 L689 C708	C679-R681 PolarHBondContact O-N 2.84Å; C679-C682 HydrophobicContact CB-CB 4.08Å; C679-C682 PolarHBondContact O-N 3.34Å; C679-S687 VanDerWaalsContact CB-OG 3.22Å; C679-S687 WeakPolarHBondContact CB-OG 3.45Å; C679-S687 PolarHBondContact N-O 2.83Å; C679-L689 HydrophobicContact CB-CD2 4.41Å; C679-C708 HydrophobicContact CB-CB 3.85Å; C679-C708 VanDerWaalsContact SG-CB 3.53Å
680	P	82.8	Confident	80.9	Confident	110 Å²	110	68.2 Å²	68.2	71%	0.714	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.5	-177.9	24.7	-32.8	0	0	0	113.7	Q678	Q678-P680 WeakPolarHBondContact O-CD 3.44Å
681	R	83.8	Confident	81	Confident	188 Å²	188	67.7 Å²	67.7	71%	0.709	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.4	176	-67.3	-174.9	178.2	-176.5	-1	114.2	C679 C711	C679-R681 PolarHBondContact O-N 2.84Å; R681-C711 HydrophobicContact CB-CB 4.36Å
682	C	81.9	Confident	81	Confident	9 Å²	9	65.1 Å²	65.1	6%	0.061	34%	0.343	C	S	.	.			trans	-135.1	34.5	-171.4	-67.7	0	0	0	0	112.4	C679 D684 R685 A686 S687 C711	C679-C682 HydrophobicContact CB-CB 4.08Å; C679-C682 PolarHBondContact O-N 3.34Å; C682-D684 VanDerWaalsContact C-N 3.31Å; C682-D684 PolarHBondContact O-N 3.41Å; C682-R685 CarbonylContact O-C 3.54Å; C682-R685 PolarHBondContact O-N 3.15Å; C682-A686 PolarHBondContact O-N 3.39Å; C682-S687 WeakPolarHBondContact CB-OG 3.39Å; C682-C711 VanDerWaalsContact SG-CB 3.52Å
683	V	72.4	Confident	81	Confident	85 Å²	85	68.1 Å²	68.1	52%	0.515	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-55.7	-47.7	-176.2	-172.1	0	0	0	0	110.8	R685 A686	V683-R685 PolarHBondContact O-N 2.83Å; V683-R685 VanDerWaalsContact O-N 3.15Å; V683-A686 PolarHBondContact O-N 2.82Å
684	D	69.9	Low	81.1	Confident	150 Å²	150	66.3 Å²	66.3	80%	0.802	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.4	-9.9	-179.8	26.1	-61.2	0	0	0	114.3	C682	C682-D684 VanDerWaalsContact C-N 3.31Å; C682-D684 PolarHBondContact O-N 3.41Å
685	R	67.4	Low	81.1	Confident	101 Å²	101	68.4 Å²	68.4	38%	0.381	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-111.4	6.2	173	-58.8	-171.7	-171.9	172.8	7.6	113.4	V629 C682 V683 S687 M726	V629-R685 WeakPolarHBondContact CG2-O 3.43Å; C682-R685 CarbonylContact O-C 3.54Å; C682-R685 PolarHBondContact O-N 3.15Å; V683-R685 PolarHBondContact O-N 2.83Å; V683-R685 VanDerWaalsContact O-N 3.15Å; R685-S687 VanDerWaalsContact C-N 3.26Å; R685-S687 PolarHBondContact O-N 3.47Å; R685-M726 VanDerWaalsContact CZ-SD 3.58Å; R685-M726 PolarHBondContact NH1-SD 2.91Å; R685-M726 PolarHBondContact NH2-SD 3.42Å
686	A	68.3	Low	80.4	Confident	61 Å²	61	71.7 Å²	71.7	50%	0.504	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	44.3	-179.4	0	0	0	0	0	113.5	C682 V683	C682-A686 PolarHBondContact O-N 3.39Å; V683-A686 PolarHBondContact O-N 2.82Å
687	S	76.6	Confident	79.4	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.007	33%	0.334	C	S	.	.			trans	-86.6	147.5	177.5	87.3	0	0	0	0	112.3	Q678 C679 C682 R685 C708 T710	Q678-S687 WeakPolarHBondContact CA-O 3.46Å; C679-S687 VanDerWaalsContact CB-OG 3.22Å; C679-S687 WeakPolarHBondContact CB-OG 3.45Å; C679-S687 PolarHBondContact N-O 2.83Å; C682-S687 WeakPolarHBondContact CB-OG 3.39Å; R685-S687 VanDerWaalsContact C-N 3.26Å; R685-S687 PolarHBondContact O-N 3.47Å; S687-C708 PolarHBondContact OG-SG 2.87Å; S687-T710 WeakPolarHBondContact CB-OG1 3.12Å; S687-T710 PolarHBondContact OG-OG1 2.81Å
688	V	80.4	Confident	78.7	Confident	35 Å²	35	62.9 Å²	62.9	21%	0.212	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.1	-177.6	-116.1	0	0	0	0	109.4	C627 T675 E677	C627-V688 PolarHBondContact O-N 2.95Å; T675-V688 VanDerWaalsContact O-CG1 3.25Å; T675-V688 WeakPolarHBondContact O-CG1 3.37Å; E677-V688 WeakPolarHBondContact O-CA 3.25Å; E677-V688 WeakPolarHBondContact O-CG1 3.34Å
689	L	85.9	Confident	77.6	Confident	28 Å²	28	62.9 Å²	62.9	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137	171.6	-70.3	170.8	0	0	0	109.5	T675 E677 C679 K706 C708	T675-L689 WeakPolarHBondContact CB-O 2.85Å; T675-L689 WeakPolarHBondContact CG2-O 3.46Å; T675-L689 PolarHBondContact N-O 3.28Å; T675-L689 WeakPolarHBondContact OG1-CB 2.96Å; T675-L689 PolarHBondContact OG1-O 2.68Å; E677-L689 HydrophobicContact CB-CD1 4.11Å; E677-L689 PolarHBondContact O-N 2.86Å; C679-L689 HydrophobicContact CB-CD2 4.41Å; L689-K706 HydrophobicContact CB-CB 4.42Å; L689-K706 HydrophobicContact CD1-CB 4.4Å; L689-C708 HydrophobicContact CD2-CB 4.05Å
690	V	88.1	Confident	76.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.8	170.3	-175.1	0	0	0	0	107.6	V625 C627 L639 A673 L692 K706 T707 F709	V625-V690 HydrophobicContact CG1-CG1 4.32Å; C627-V690 HydrophobicContact CB-CG2 3.21Å; L639-V690 HydrophobicContact CD1-CG1 4.2Å; L639-V690 HydrophobicContact CD1-CG2 4.25Å; L639-V690 HydrophobicContact CD2-CG1 4.33Å; A673-V690 WeakPolarHBondContact O-CG1 3.23Å; V690-L692 HydrophobicContact CG1-CD2 3.82Å; V690-L692 HydrophobicContact CG1-CG 4.43Å; V690-K706 CarbonylContact O-C 3.59Å; V690-K706 VanDerWaalsContact O-CA 3.31Å; V690-K706 WeakPolarHBondContact O-CA 3.28Å; V690-T707 PolarHBondContact N-O 2.8Å; V690-T707 PolarHBondContact O-N 3.32Å; V690-F709 HydrophobicContact CB-CD2 4.31Å; V690-F709 HydrophobicContact CB-CE2 3.94Å; V690-F709 HydrophobicContact CG1-CE2 4.25Å; V690-F709 HydrophobicContact CG2-CD2 3.92Å; V690-F709 HydrophobicContact CG2-CE2 3.99Å
691	E	90.2	Very high	76.5	Confident	53 Å²	53	63 Å²	63	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.9	168.8	-169.5	173.6	115	0	0	108.8	Y672 A673 T675 V704 L705 K706	Y672-E691 CarbonylContact C-O 3.55Å; Y672-E691 VanDerWaalsContact CA-O 3.23Å; Y672-E691 WeakPolarHBondContact CA-O 3.11Å; A673-E691 PolarHBondContact N-O 3.15Å; A673-E691 PolarHBondContact O-N 3.12Å; T675-E691 HydrophobicContact CG2-CB 3.89Å; E691-V704 HydrophobicContact CG-CG1 3.24Å; E691-V704 WeakPolarHBondContact OE1-CG1 3.42Å; E691-L705 CarbonylContact C-O 3.56Å; E691-L705 WeakPolarHBondContact CA-O 3.46Å; E691-K706 HydrophobicContact CB-CG 4.37Å; E691-K706 HydrophobicContact CG-CG 4.43Å
692	L	89.5	Confident	76.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.1	173.6	-57.8	177	0	0	0	108	L639 I669 V690 L694 V704 L705 T707 F709 L719	L639-L692 HydrophobicContact CD2-CD2 3.89Å; I669-L692 HydrophobicContact CD1-CD1 4.17Å; I669-L692 HydrophobicContact CD1-CD2 4.21Å; I669-L692 HydrophobicContact CG2-CD2 4.29Å; V690-L692 HydrophobicContact CG1-CD2 3.82Å; V690-L692 HydrophobicContact CG1-CG 4.43Å; L692-L694 HydrophobicContact CB-CD2 4.24Å; L692-V704 WeakPolarHBondContact O-CA 3.35Å; L692-L705 PolarHBondContact N-O 3.39Å; L692-L705 PolarHBondContact O-N 3.24Å; L692-T707 HydrophobicContact CD1-CG2 3.52Å; L692-T707 HydrophobicContact CG-CG2 4.08Å; L692-F709 HydrophobicContact CD1-CE2 4.32Å; L692-F709 HydrophobicContact CD1-CZ 3.75Å; L692-F709 HydrophobicContact CD2-CE2 4.21Å; L692-F709 HydrophobicContact CD2-CZ 4.08Å; L692-F709 HydrophobicContact CG-CZ 4.38Å; L692-L719 HydrophobicContact CD1-CD1 3.32Å
693	R	89.9	Confident	76.3	Confident	110 Å²	110	60.4 Å²	60.4	42%	0.415	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.2	163.9	-91.4	-179.9	-173	-135.2	3.7	108	S670 S671 P703 V704	S670-R693 WeakPolarHBondContact CA-O 3.38Å; S670-R693 WeakPolarHBondContact CB-O 3.01Å; S670-R693 PolarHBondContact N-O 2.81Å; S670-R693 WeakPolarHBondContact OG-CB 3.33Å; S670-R693 PolarHBondContact OG-O 2.98Å; S671-R693 PolarHBondContact N-O 2.94Å; S671-R693 PolarHBondContact O-N 2.76Å; S671-R693 VanDerWaalsContact OG-CB 3.26Å; S671-R693 WeakPolarHBondContact OG-CB 3.42Å; R693-P703 CarbonylContact C-O 3.47Å; R693-P703 WeakPolarHBondContact CA-O 3.26Å; R693-V704 HydrophobicContact CG-CG2 3.99Å
694	L	88.1	Confident	77.1	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.4	177.3	-60.9	-168.9	0	0	0	111.1	L668 I669 L692 S698 L701 P703 L705 L719	L668-L694 CarbonylContact O-C 3.58Å; L668-L694 WeakPolarHBondContact O-CA 3.41Å; L668-L694 WeakPolarHBondContact O-CB 3.36Å; L668-L694 WeakPolarHBondContact O-CD2 3.25Å; I669-L694 HydrophobicContact CB-CD2 4.38Å; I669-L694 HydrophobicContact CG1-CD2 3.66Å; L692-L694 HydrophobicContact CB-CD2 4.24Å; L694-S698 WeakPolarHBondContact CB-OG 3.37Å; L694-L701 HydrophobicContact CD1-CB 3.66Å; L694-L701 HydrophobicContact CD1-CD1 3.81Å; L694-L701 HydrophobicContact CD1-CG 4.38Å; L694-P703 PolarHBondContact N-O 2.94Å; L694-L705 HydrophobicContact CD1-CD1 3.27Å; L694-L705 HydrophobicContact CG-CD1 3.87Å; L694-L719 HydrophobicContact CD2-CD2 4.07Å
695	K	77.3	Confident	77.9	Confident	101 Å²	101	52.8 Å²	52.8	44%	0.439	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-61.3	140.5	166.7	-64.4	-170.9	-161.5	150.8	0	107.7	D667 L668 I669 N697 S698	D667-K695 WeakPolarHBondContact O-CD 3.2Å; D667-K695 WeakPolarHBondContact O-CE 3.48Å; D667-K695 PolarHBondContact O-NZ 3.39Å; L668-K695 PolarHBondContact O-N 2.89Å; I669-K695 VanDerWaalsContact O-CE 3.29Å; I669-K695 WeakPolarHBondContact O-CE 3.48Å; K695-N697 PolarHBondContact O-N 3.1Å; K695-S698 PolarHBondContact O-N 3.14Å; K695-S698 PolarHBondContact O-OG 3.28Å
696	N	64.2	Low	78.9	Confident	84 Å²	84	52.1 Å²	52.1	45%	0.449	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	141.8	174	-69.5	-11.6	0	0	0	110.3
697	N	59.3	Low	79.9	Confident	65 Å²	65	49.3 Å²	49.3	35%	0.348	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	24.6	-172.1	-103.4	13.7	0	0	0	117.1	K695 F699	K695-N697 PolarHBondContact O-N 3.1Å; N697-F699 PolarHBondContact O-N 3.02Å; N697-F699 VanDerWaalsContact O-N 3.07Å
698	S	67.7	Low	80.4	Confident	10 Å²	10	49.4 Å²	49.4	7%	0.07	27%	0.272	C	S	.	.			trans	-76.1	94.2	169.1	-61.2	0	0	0	0	110.7	L668 L694 K695 G700 L701	L668-S698 PolarHBondContact O-OG 3.11Å; L694-S698 WeakPolarHBondContact CB-OG 3.37Å; K695-S698 PolarHBondContact O-N 3.14Å; K695-S698 PolarHBondContact O-OG 3.28Å; S698-G700 PolarHBondContact O-N 2.89Å; S698-G700 VanDerWaalsContact O-N 3.14Å; S698-L701 PolarHBondContact O-N 3.38Å
699	F	61.5	Low	80.5	Confident	116 Å²	116	47.8 Å²	47.8	51%	0.509	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.3	111.6	-174.9	-96.4	-93.9	0	0	0	114.5	L511 T512 L518 N697 L701	L511-F699 WeakPolarHBondContact O-CZ 3.19Å; T512-F699 HydrophobicContact CG2-CE1 4.32Å; T512-F699 HydrophobicContact CG2-CZ 4.43Å; L518-F699 HydrophobicContact CD2-CE1 4.26Å; L518-F699 HydrophobicContact CD2-CZ 4.38Å; N697-F699 PolarHBondContact O-N 3.02Å; N697-F699 VanDerWaalsContact O-N 3.07Å; F699-L701 PolarHBondContact O-N 2.93Å; F699-L701 VanDerWaalsContact O-N 3.17Å
700	G	68.9	Low	80.2	Confident	87 Å²	87	47.2 Å²	47.2	90%	0.897	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	8.9	171.8	0	0	0	0	0	115.9	S698	S698-G700 PolarHBondContact O-N 2.89Å; S698-G700 VanDerWaalsContact O-N 3.14Å
701	L	75.6	Confident	79.7	Confident	31 Å²	31	48.2 Å²	48.2	16%	0.162	27%	0.267	C	S	.	.			trans	-112.8	134.7	-175.6	-79	178.9	0	0	0	110.7	L694 S698 F699 L705	L694-L701 HydrophobicContact CD1-CB 3.66Å; L694-L701 HydrophobicContact CD1-CD1 3.81Å; L694-L701 HydrophobicContact CD1-CG 4.38Å; S698-L701 PolarHBondContact O-N 3.38Å; F699-L701 PolarHBondContact O-N 2.93Å; F699-L701 VanDerWaalsContact O-N 3.17Å; L701-L705 HydrophobicContact CB-CD1 3.84Å; L701-L705 HydrophobicContact CD1-CD1 4.31Å; L701-L705 HydrophobicContact CD2-CD1 3.98Å; L701-L705 HydrophobicContact CD2-CD2 4.36Å; L701-L705 HydrophobicContact CG-CD1 4.26Å
702	P	79.2	Confident	78.6	Confident	70 Å²	70	49.1 Å²	49.1	46%	0.455	28%	0.279	S	S	.	.			trans	-61.3	151.6	175.7	15.8	-23.1	0	0	0	111.9	V704 L705	P702-V704 PolarHBondContact O-N 3.41Å; P702-L705 HydrophobicContact CG-CD1 4.41Å; P702-L705 HydrophobicContact CG-CD2 3.66Å; P702-L705 HydrophobicContact CG-CG 3.86Å; P702-L705 VanDerWaalsContact O-CD1 3.25Å; P702-L705 WeakPolarHBondContact O-CD1 3.42Å
703	P	81.9	Confident	77.7	Confident	73 Å²	73	50.1 Å²	50.1	47%	0.474	29%	0.286	S	S	.	.	S	Bend	trans	-64.1	-27.2	-173.3	24.2	-33.1	0	0	0	112.8	R693 L694	R693-P703 CarbonylContact C-O 3.47Å; R693-P703 WeakPolarHBondContact CA-O 3.26Å; L694-P703 PolarHBondContact N-O 2.94Å
704	V	88.7	Confident	76.8	Confident	60 Å²	60	53 Å²	53	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	172.9	-173.7	0	0	0	0	107.6	E691 L692 R693 P702	E691-V704 HydrophobicContact CG-CG1 3.24Å; E691-V704 WeakPolarHBondContact OE1-CG1 3.42Å; L692-V704 WeakPolarHBondContact O-CA 3.35Å; R693-V704 HydrophobicContact CG-CG2 3.99Å; P702-V704 PolarHBondContact O-N 3.41Å
705	L	87.6	Confident	76.3	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.9	179.8	-82.7	147.3	0	0	0	110.2	E691 L692 L694 L701 P702 V715	E691-L705 CarbonylContact C-O 3.56Å; E691-L705 WeakPolarHBondContact CA-O 3.46Å; L692-L705 PolarHBondContact N-O 3.39Å; L692-L705 PolarHBondContact O-N 3.24Å; L694-L705 HydrophobicContact CD1-CD1 3.27Å; L694-L705 HydrophobicContact CG-CD1 3.87Å; L701-L705 HydrophobicContact CB-CD1 3.84Å; L701-L705 HydrophobicContact CD1-CD1 4.31Å; L701-L705 HydrophobicContact CD2-CD1 3.98Å; L701-L705 HydrophobicContact CD2-CD2 4.36Å; L701-L705 HydrophobicContact CG-CD1 4.26Å; P702-L705 HydrophobicContact CG-CD1 4.41Å; P702-L705 HydrophobicContact CG-CD2 3.66Å; P702-L705 HydrophobicContact CG-CG 3.86Å; P702-L705 VanDerWaalsContact O-CD1 3.25Å; P702-L705 WeakPolarHBondContact O-CD1 3.42Å; L705-V715 HydrophobicContact CB-CG1 4.02Å; L705-V715 HydrophobicContact CD1-CG1 4.1Å; L705-V715 HydrophobicContact CD2-CB 4.28Å; L705-V715 HydrophobicContact CD2-CG1 3.78Å; L705-V715 HydrophobicContact CD2-CG2 3.52Å; L705-V715 HydrophobicContact CG-CG1 4.2Å
706	K	88.4	Confident	76.4	Confident	88 Å²	88	48.9 Å²	48.9	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.2	163.6	-71.4	-177.7	178.5	178.7	0	108.9	T675 E677 L689 V690 E691	T675-K706 HydrophobicContact CG2-CD 4.28Å; T675-K706 HydrophobicContact CG2-CG 4.31Å; E677-K706 IonicContact OE1-NZ 2.78Å; E677-K706 PolarHBondContact OE1-NZ 3.12Å; E677-K706 WeakPolarHBondContact OE2-CD 3.47Å; E677-K706 IonicContact OE2-NZ 2.77Å; E677-K706 PolarHBondContact OE2-NZ 3.13Å; L689-K706 HydrophobicContact CB-CB 4.42Å; L689-K706 HydrophobicContact CD1-CB 4.4Å; V690-K706 CarbonylContact O-C 3.59Å; V690-K706 VanDerWaalsContact O-CA 3.31Å; V690-K706 WeakPolarHBondContact O-CA 3.28Å; E691-K706 HydrophobicContact CB-CG 4.37Å; E691-K706 HydrophobicContact CG-CG 4.43Å
707	T	88.7	Confident	77	Confident	2 Å²	2	49 Å²	49	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.9	177.4	-169.4	0	0	0	0	111.9	V690 L692 F709 S713 V715	V690-T707 PolarHBondContact N-O 2.8Å; V690-T707 PolarHBondContact O-N 3.32Å; L692-T707 HydrophobicContact CD1-CG2 3.52Å; L692-T707 HydrophobicContact CG-CG2 4.08Å; T707-F709 HydrophobicContact CG2-CD2 4.48Å; T707-F709 HydrophobicContact CG2-CE2 3.96Å; T707-F709 HydrophobicContact CG2-CZ 4.06Å; T707-S713 PolarHBondContact OG1-OG 2.82Å; T707-V715 HydrophobicContact CG2-CG1 4.06Å
708	C	86.8	Confident	78	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	29%	0.294	C	S	.	.			trans	-99.2	128.9	171.6	176.5	0	0	0	0	108.6	C679 S687 L689 T710 C711 T716	C679-C708 HydrophobicContact CB-CB 3.85Å; C679-C708 VanDerWaalsContact SG-CB 3.53Å; S687-C708 PolarHBondContact OG-SG 2.87Å; L689-C708 HydrophobicContact CD2-CB 4.05Å; C708-T710 VanDerWaalsContact C-N 3.25Å; C708-T710 PolarHBondContact O-N 2.98Å; C708-T710 VanDerWaalsContact SG-CB 3.52Å; C708-T710 PolarHBondContact SG-N 2.89Å; C708-T710 PolarHBondContact SG-OG1 3.34Å; C708-C711 VanDerWaalsContact O-O 3.09Å; C708-T716 WeakPolarHBondContact O-CG2 3.46Å
709	F	83.5	Confident	78.8	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	29%	0.291	C	S	.	.	S	Bend	trans	-86.4	6.9	175.3	-68.9	-84.2	0	0	0	113.3	L639 V649 I663 V690 L692 T707 T716 V721 L723	L639-F709 HydrophobicContact CD1-CD2 3.73Å; L639-F709 HydrophobicContact CD1-CE2 3.34Å; L639-F709 HydrophobicContact CD1-CZ 3.93Å; V649-F709 HydrophobicContact CG2-CB 4.27Å; V649-F709 HydrophobicContact CG2-CD1 4.09Å; V649-F709 HydrophobicContact CG2-CD2 4.22Å; V649-F709 HydrophobicContact CG2-CE1 4.45Å; V649-F709 HydrophobicContact CG2-CG 3.94Å; I663-F709 HydrophobicContact CD1-CE1 3.6Å; I663-F709 HydrophobicContact CD1-CZ 3.66Å; I663-F709 HydrophobicContact CG1-CE1 4.05Å; V690-F709 HydrophobicContact CB-CD2 4.31Å; V690-F709 HydrophobicContact CB-CE2 3.94Å; V690-F709 HydrophobicContact CG1-CE2 4.25Å; V690-F709 HydrophobicContact CG2-CD2 3.92Å; V690-F709 HydrophobicContact CG2-CE2 3.99Å; L692-F709 HydrophobicContact CD1-CE2 4.32Å; L692-F709 HydrophobicContact CD1-CZ 3.75Å; L692-F709 HydrophobicContact CD2-CE2 4.21Å; L692-F709 HydrophobicContact CD2-CZ 4.08Å; L692-F709 HydrophobicContact CG-CZ 4.38Å; T707-F709 HydrophobicContact CG2-CD2 4.48Å; T707-F709 HydrophobicContact CG2-CE2 3.96Å; T707-F709 HydrophobicContact CG2-CZ 4.06Å; F709-T716 HydrophobicContact CD1-CG2 3.77Å; F709-T716 HydrophobicContact CE1-CG2 4.2Å; F709-T716 HydrophobicContact CG-CG2 4.35Å; F709-V721 HydrophobicContact CD1-CG1 4.3Å; F709-V721 HydrophobicContact CD1-CG2 4.14Å; F709-V721 HydrophobicContact CE1-CG2 3.9Å; F709-L723 WeakPolarHBondContact O-CD2 3.15Å
710	T	79.2	Confident	79.7	Confident	16 Å²	16	43.4 Å²	43.4	10%	0.098	28%	0.277	C	S	.	.	S	Bend	trans	-95.6	-48.9	176.9	-31.2	0	0	0	0	111.4	T628 S687 C708	T628-T710 WeakPolarHBondContact CB-OG1 3.5Å; T628-T710 WeakPolarHBondContact OG1-CB 2.95Å; T628-T710 VanDerWaalsContact OG1-CG2 3.31Å; T628-T710 WeakPolarHBondContact OG1-CG2 3.35Å; T628-T710 PolarHBondContact OG1-OG1 3.39Å; S687-T710 WeakPolarHBondContact CB-OG1 3.12Å; S687-T710 PolarHBondContact OG-OG1 2.81Å; C708-T710 VanDerWaalsContact C-N 3.25Å; C708-T710 PolarHBondContact O-N 2.98Å; C708-T710 VanDerWaalsContact SG-CB 3.52Å; C708-T710 PolarHBondContact SG-N 2.89Å; C708-T710 PolarHBondContact SG-OG1 3.34Å
711	C	76.8	Confident	80	Confident	21 Å²	21	39.6 Å²	39.6	14%	0.142	24%	0.237	C	C	.	.	S	Bend	trans	-95	141.5	175.5	60	0	0	0	0	110.4	R681 C682 C708 S713	R681-C711 HydrophobicContact CB-CB 4.36Å; C682-C711 VanDerWaalsContact SG-CB 3.52Å; C708-C711 VanDerWaalsContact O-O 3.09Å; C711-S713 VanDerWaalsContact C-N 3.33Å; C711-S713 PolarHBondContact O-N 2.82Å
712	S	67.8	Low	79.4	Confident	73 Å²	73	45.7 Å²	45.7	51%	0.51	26%	0.264	S	S	.	.			trans	-67.4	92.8	174.1	-153.9	0	0	0	0	109.7	V717 L723	S712-V717 WeakPolarHBondContact OG-CG2 3.4Å; S712-L723 VanDerWaalsContact N-CD1 3.28Å
713	S	71.1	Confident	78.4	Confident	21 Å²	21	44 Å²	44	15%	0.147	25%	0.251	C	S	.	.			trans	-84.3	156.3	166.8	79.1	0	0	0	0	108.8	T707 C711 V715 T716 V717	T707-S713 PolarHBondContact OG1-OG 2.82Å; C711-S713 VanDerWaalsContact C-N 3.33Å; C711-S713 PolarHBondContact O-N 2.82Å; S713-V715 PolarHBondContact O-N 3.25Å; S713-V715 VanDerWaalsContact O-N 3.12Å; S713-V715 WeakPolarHBondContact OG-CB 3.41Å; S713-V715 PolarHBondContact OG-N 2.91Å; S713-T716 PolarHBondContact N-OG1 3.41Å; S713-T716 PolarHBondContact O-N 2.9Å; S713-T716 VanDerWaalsContact O-N 3.14Å; S713-T716 PolarHBondContact O-OG1 2.98Å; S713-T716 PolarHBondContact OG-N 2.88Å; S713-T716 VanDerWaalsContact OG-N 3.1Å; S713-T716 PolarHBondContact OG-OG1 3.19Å; S713-V717 WeakPolarHBondContact O-CG2 3.44Å; S713-V717 PolarHBondContact O-N 3.49Å; S713-V717 VanDerWaalsContact O-N 3.11Å
714	M	71.1	Confident	76.6	Confident	169 Å²	169	44.4 Å²	44.4	83%	0.833	25%	0.254	S	S	*	.	H	α-helix	trans	-53.4	-33	172	-113.6	-156.2	164.7	0	0	111.6	V717 S718	M714-V717 PolarHBondContact O-N 2.91Å; M714-S718 PolarHBondContact O-N 3.46Å; M714-S718 PolarHBondContact O-OG 2.81Å; M714-S718 VanDerWaalsContact O-OG 3.08Å
715	V	76	Confident	73.9	Confident	23 Å²	23	47.3 Å²	47.3	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-48.3	178.3	-174.6	0	0	0	0	112.1	L705 T707 S713 V717 S718 L719	L705-V715 HydrophobicContact CB-CG1 4.02Å; L705-V715 HydrophobicContact CD1-CG1 4.1Å; L705-V715 HydrophobicContact CD2-CB 4.28Å; L705-V715 HydrophobicContact CD2-CG1 3.78Å; L705-V715 HydrophobicContact CD2-CG2 3.52Å; L705-V715 HydrophobicContact CG-CG1 4.2Å; T707-V715 HydrophobicContact CG2-CG1 4.06Å; S713-V715 PolarHBondContact O-N 3.25Å; S713-V715 VanDerWaalsContact O-N 3.12Å; S713-V715 WeakPolarHBondContact OG-CB 3.41Å; S713-V715 PolarHBondContact OG-N 2.91Å; V715-V717 VanDerWaalsContact C-N 3.27Å; V715-V717 PolarHBondContact O-N 3.45Å; V715-S718 PolarHBondContact O-N 3.3Å; V715-L719 HydrophobicContact CG1-CD1 4.19Å; V715-L719 PolarHBondContact O-N 3.09Å
716	T	80	Confident	71.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-39	176	35.3	0	0	0	0	111.8	C708 F709 S713 L719 G720 V721	C708-T716 WeakPolarHBondContact O-CG2 3.46Å; F709-T716 HydrophobicContact CD1-CG2 3.77Å; F709-T716 HydrophobicContact CE1-CG2 4.2Å; F709-T716 HydrophobicContact CG-CG2 4.35Å; S713-T716 PolarHBondContact N-OG1 3.41Å; S713-T716 PolarHBondContact O-N 2.9Å; S713-T716 VanDerWaalsContact O-N 3.14Å; S713-T716 PolarHBondContact O-OG1 2.98Å; S713-T716 PolarHBondContact OG-N 2.88Å; S713-T716 VanDerWaalsContact OG-N 3.1Å; S713-T716 PolarHBondContact OG-OG1 3.19Å; T716-L719 PolarHBondContact O-N 2.87Å; T716-G720 PolarHBondContact O-N 2.76Å; T716-V721 HydrophobicContact CG2-CB 4.35Å; T716-V721 HydrophobicContact CG2-CG1 4.48Å; T716-V721 HydrophobicContact CG2-CG2 4.31Å; T716-V721 WeakPolarHBondContact O-CB 3.48Å; T716-V721 WeakPolarHBondContact O-CG2 3.23Å; T716-V721 PolarHBondContact O-N 3.39Å
717	V	77.6	Confident	68.2	Low	86 Å²	86	51.6 Å²	51.6	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-47.1	176.4	175.9	0	0	0	0	110.7	S712 S713 M714 V715 L719 G720	S712-V717 WeakPolarHBondContact OG-CG2 3.4Å; S713-V717 WeakPolarHBondContact O-CG2 3.44Å; S713-V717 PolarHBondContact O-N 3.49Å; S713-V717 VanDerWaalsContact O-N 3.11Å; M714-V717 PolarHBondContact O-N 2.91Å; V715-V717 VanDerWaalsContact C-N 3.27Å; V715-V717 PolarHBondContact O-N 3.45Å; V717-L719 VanDerWaalsContact C-N 3.31Å; V717-L719 PolarHBondContact O-N 3.14Å; V717-G720 WeakPolarHBondContact O-CA 3.45Å; V717-G720 PolarHBondContact O-N 3.38Å
718	S	80.2	Confident	65.2	Low	53 Å²	53	57.2 Å²	57.2	37%	0.371	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-39.3	178.3	-64.3	0	0	0	0	112.2	Q665 M714 V715 G720	Q665-S718 PolarHBondContact OE1-O 3.12Å; M714-S718 PolarHBondContact O-N 3.46Å; M714-S718 PolarHBondContact O-OG 2.81Å; M714-S718 VanDerWaalsContact O-OG 3.08Å; V715-S718 PolarHBondContact O-N 3.3Å; S718-G720 PolarHBondContact O-N 3.26Å; S718-G720 VanDerWaalsContact O-N 3.1Å
719	L	84.1	Confident	62.2	Low	0 Å²	0	62.8 Å²	62.8	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	1.4	175.3	-69.9	169.4	0	0	0	114.1	I663 R664 Q665 L668 I669 L692 L694 V715 T716 V717 V721	I663-L719 HydrophobicContact CG2-CB 3.81Å; R664-L719 PolarHBondContact N-O 3.43Å; Q665-L719 PolarHBondContact N-O 3.33Å; Q665-L719 VanDerWaalsContact N-O 3.08Å; L668-L719 HydrophobicContact CB-CD2 4.37Å; L668-L719 HydrophobicContact CD1-CD2 4.45Å; I669-L719 HydrophobicContact CD1-CD1 4.39Å; I669-L719 HydrophobicContact CD1-CD2 4.46Å; I669-L719 HydrophobicContact CG1-CD2 4.26Å; L692-L719 HydrophobicContact CD1-CD1 3.32Å; L694-L719 HydrophobicContact CD2-CD2 4.07Å; V715-L719 HydrophobicContact CG1-CD1 4.19Å; V715-L719 PolarHBondContact O-N 3.09Å; T716-L719 PolarHBondContact O-N 2.87Å; V717-L719 VanDerWaalsContact C-N 3.31Å; V717-L719 PolarHBondContact O-N 3.14Å; L719-V721 VanDerWaalsContact C-N 3.29Å; L719-V721 HydrophobicContact CB-CG2 4.11Å; L719-V721 PolarHBondContact O-N 2.85Å
720	G	79.6	Confident	59.3	Low	21 Å²	21	66.4 Å²	66.4	22%	0.216	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	28.1	-179.1	0	0	0	0	0	113.2	T716 V717 S718 Q722	T716-G720 PolarHBondContact O-N 2.76Å; V717-G720 WeakPolarHBondContact O-CA 3.45Å; V717-G720 PolarHBondContact O-N 3.38Å; S718-G720 PolarHBondContact O-N 3.26Å; S718-G720 VanDerWaalsContact O-N 3.1Å; G720-Q722 PolarHBondContact O-N 3.46Å
721	V	76.8	Confident	56.9	Low	8 Å²	8	71.4 Å²	71.4	5%	0.048	47%	0.465	C	S	.	.			trans	-72.9	108.7	173.7	-177	0	0	0	0	107.9	I661 I663 F709 T716 L719 L723	I661-V721 HydrophobicContact CG2-CG1 3.42Å; I661-V721 VanDerWaalsContact CG2-CG1 3.42Å; I663-V721 HydrophobicContact CB-CG2 4.45Å; I663-V721 HydrophobicContact CG1-CG2 4.16Å; I663-V721 HydrophobicContact CG2-CG2 4.13Å; F709-V721 HydrophobicContact CD1-CG1 4.3Å; F709-V721 HydrophobicContact CD1-CG2 4.14Å; F709-V721 HydrophobicContact CE1-CG2 3.9Å; T716-V721 HydrophobicContact CG2-CB 4.35Å; T716-V721 HydrophobicContact CG2-CG1 4.48Å; T716-V721 HydrophobicContact CG2-CG2 4.31Å; T716-V721 WeakPolarHBondContact O-CB 3.48Å; T716-V721 WeakPolarHBondContact O-CG2 3.23Å; T716-V721 PolarHBondContact O-N 3.39Å; L719-V721 VanDerWaalsContact C-N 3.29Å; L719-V721 HydrophobicContact CB-CG2 4.11Å; L719-V721 PolarHBondContact O-N 2.85Å; V721-L723 HydrophobicContact CG1-CD2 3.96Å; V721-L723 HydrophobicContact CG1-CG 4.14Å; V721-L723 PolarHBondContact O-N 3.43Å
722	Q	62.7	Low	54.2	Low	158 Å²	158	78.4 Å²	78.4	74%	0.738	50%	0.5	S	S	*	.			trans	-82.4	98.7	168.5	-77	-176.6	-40.3	0	0	108.1	G720	G720-Q722 PolarHBondContact O-N 3.46Å
723	L	56.8	Low	52.1	Low	34 Å²	34	82.6 Å²	82.6	18%	0.178	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-70.1	143.2	171.9	-67.8	170.2	0	0	0	109.7	I661 F709 S712 V721 S725	I661-L723 HydrophobicContact CD1-CD2 4.31Å; F709-L723 WeakPolarHBondContact O-CD2 3.15Å; S712-L723 VanDerWaalsContact N-CD1 3.28Å; V721-L723 HydrophobicContact CG1-CD2 3.96Å; V721-L723 HydrophobicContact CG1-CG 4.14Å; V721-L723 PolarHBondContact O-N 3.43Å; L723-S725 PolarHBondContact O-N 3.37Å
724	P	44.3	Very low	49.8	Very low	82 Å²	82	89.4 Å²	89.4	53%	0.532	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-56.1	128	169.5	-17.2	28.6	0	0	0	108.9	M726	P724-M726 PolarHBondContact O-N 2.97Å
725	S	33.3	Very low	47.5	Very low	122 Å²	122	89 Å²	89	85%	0.853	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-54.6	116.5	-173.4	67.1	0	0	0	0	110.7	L723 A727	L723-S725 PolarHBondContact O-N 3.37Å; S725-A727 PolarHBondContact O-N 3.2Å
726	M	31.4	Very low	45	Very low	105 Å²	105	97 Å²	97	52%	0.517	58%	0.579	S	S	.	*			trans	-73.6	110.8	171.7	-66.2	-102.1	72.5	0	0	107.5	R685 P724 S728	R685-M726 VanDerWaalsContact CZ-SD 3.58Å; R685-M726 PolarHBondContact NH1-SD 2.91Å; R685-M726 PolarHBondContact NH2-SD 3.42Å; P724-M726 PolarHBondContact O-N 2.97Å; M726-S728 PolarHBondContact O-N 2.86Å
727	A	25.4	Very low	42.4	Very low	86 Å²	86	104.8 Å²	104.8	71%	0.711	62%	0.62	S	S	*	*			trans	-57.3	120.5	161	0	0	0	0	0	107.6	S725 S729	S725-A727 PolarHBondContact O-N 3.2Å; A727-S729 PolarHBondContact O-N 3.38Å; A727-S729 VanDerWaalsContact O-N 3.09Å
728	S	23.8	Very low	40.3	Very low	120 Å²	120	105.7 Å²	105.7	84%	0.839	63%	0.628	S	S	*	*			trans	-63.5	105.4	173.6	49.4	0	0	0	0	109.2	M726	M726-S728 PolarHBondContact O-N 2.86Å
729	S	25.4	Very low	37.6	Very low	120 Å²	120	109.2 Å²	109.2	84%	0.839	65%	0.647	S	S	*	*			trans	-98.2	94	165.1	-49.4	0	0	0	0	108	A727	A727-S729 PolarHBondContact O-N 3.38Å; A727-S729 VanDerWaalsContact O-N 3.09Å
730	G	22.9	Very low	34.8	Very low	76 Å²	76	116.5 Å²	116.5	78%	0.784	69%	0.686	S	S	*	*			trans	-102.3	101.2	156.9	0	0	0	0	0	108
731	S	27	Very low	32.2	Very low	121 Å²	121	119.6 Å²	119.6	85%	0.846	71%	0.71	S	S	*	*			trans	-175.4	122	135.7	-125.4	0	0	0	0	109.7
732	L	22	Very low	30.1	Very low	168 Å²	168	124.6 Å²	124.6	88%	0.88	74%	0.742	S	S	*	*			trans	-60.7	130.7	160	-88.8	106.8	0	0	0	109.1
733	M	23.5	Very low	28.4	Very low	161 Å²	161	125.4 Å²	125.4	79%	0.793	75%	0.746	S	S	*	*				-172.1	121.4	126.4	-88.7	-135.6	129.2	0	0	111.9
734	Q	23.1	Very low	27.1	Very low	165 Å²	165	129.9 Å²	129.9	77%	0.771	78%	0.775	S	S	*	*			trans	46.1	109.8	143.9	-72	176.2	-19.3	0	0	122.4
735	I	21.7	Very low	26.9	Very low	159 Å²	159	131.5 Å²	131.5	82%	0.815	78%	0.783	S	S	*	*				19.9	115.9	127.6	-51	172.5	0	0	0	117.6
736	Q	23.1	Very low	28	Very low	193 Å²	193	133.4 Å²	133.4	90%	0.902	78%	0.783	S	S	*	*				-164	149.7	118.9	-102.6	175.6	10.6	0	0	111.5
737	N	25	Very low	29.6	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	77%	0.773	S	S	*	*			trans	-88.5	177.5	-161.6	-115.8	-4.4	0	0	0	113.5
738	P	34.4	Very low	31.9	Very low	105 Å²	105	128.1 Å²	128.1	68%	0.682	75%	0.75	S	S	*	*			trans	-110	158.9	-131.6	41	-34.6	0	0	0	114.6
739	V	23.8	Very low	34.6	Very low	128 Å²	128	127.7 Å²	127.7	78%	0.776	74%	0.738	S	S	*	*			trans	-156.4	133.7	155.1	173.8	0	0	0	0	111.5
740	N	25.9	Very low	37.3	Very low	153 Å²	153	122.4 Å²	122.4	82%	0.818	70%	0.701	S	S	*	*			trans	73.4	108.5	156.7	-66.9	-12.5	0	0	0	122.6
741	A	25.2	Very low	39.7	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	70%	0.698	S	S	*	*			trans	-80.4	173.2	134.4	0	0	0	0	0	109
742	P	31.2	Very low	42.4	Very low	112 Å²	112	122.9 Å²	122.9	73%	0.727	67%	0.674	S	S	*	*			cis	-137.3	165.9	5.8	38.5	-20.2	0	0	0	114.8
743	Q	27.4	Very low	45	Very low	176 Å²	176	118.3 Å²	118.3	82%	0.822	66%	0.661	S	S	*	*			trans	178.3	123.1	135.3	-97.4	171.7	19.3	0	0	112.8
744	T	29.7	Very low	47.8	Very low	128 Å²	128	116.2 Å²	116.2	79%	0.785	65%	0.649	S	S	*	*			trans	6.5	119.7	153.9	56.4	0	0	0	0	119.7
745	V	39.3	Very low	50.5	Low	115 Å²	115	112.1 Å²	112.1	70%	0.697	64%	0.637	S	S	*	*			trans	-137.4	107	160	-163	0	0	0	0	110.7	S747	V745-S747 PolarHBondContact O-N 2.59Å
746	D	58	Low	53.4	Low	162 Å²	162	104.8 Å²	104.8	87%	0.866	60%	0.6	S	S	*	*			trans	-78	43.5	176.3	-85.8	-32.6	0	0	0	112.8
747	S	64.3	Low	56.3	Low	42 Å²	42	97.4 Å²	97.4	29%	0.294	57%	0.572	S	S	.	*	S	Bend	trans	-128.8	119.7	174.1	-66.8	0	0	0	0	109.7	V745	V745-S747 PolarHBondContact O-N 2.59Å
748	P	74	Confident	59.2	Low	38 Å²	38	94.5 Å²	94.5	25%	0.247	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-63.1	145.3	-177.2	24.5	-31.4	0	0	0	110.6	S756 F772 F781	P748-S756 WeakPolarHBondContact O-CB 3.38Å; P748-S756 PolarHBondContact O-N 3.06Å; P748-S756 VanDerWaalsContact O-N 3.17Å; P748-S756 PolarHBondContact O-OG 3.05Å; P748-F772 HydrophobicContact CG-CB 3.99Å; P748-F772 HydrophobicContact CG-CD1 4.25Å; P748-F772 HydrophobicContact CG-CD2 3.8Å; P748-F772 HydrophobicContact CG-CE2 4.31Å; P748-F772 HydrophobicContact CG-CG 3.75Å; P748-F781 HydrophobicContact CB-CZ 4.08Å; P748-F781 HydrophobicContact CG-CE1 4.38Å; P748-F781 HydrophobicContact CG-CZ 4.09Å
749	L	80.4	Confident	61.6	Low	112 Å²	112	95 Å²	95	59%	0.586	54%	0.542	S	S	*	.	B	Isolated β-bridge	trans	-72.1	141.3	176.2	-67.6	165.9	0	0	0	110.4	F781	L749-F781 WeakPolarHBondContact O-CE2 3.11Å
750	C	81.3	Confident	64.5	Low	9 Å²	9	92.2 Å²	92.2	6%	0.061	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-66.8	169.6	171.6	64.2	0	0	0	0	111.8	C752 A753 Q754 C774 F781	C750-C752 HydrophobicContact CB-CB 4.49Å; C750-C752 WeakPolarHBondContact CB-SG 3.44Å; C750-C752 PolarHBondContact O-N 3.44Å; C750-C752 WeakPolarHBondContact SG-CA 3.32Å; C750-C752 WeakPolarHBondContact SG-CB 3.38Å; C750-C752 PolarHBondContact SG-N 2.66Å; C750-C752 CovalentContact SG-SG 2.07Å; C750-C752 PolarHBondContact SG-SG 3.31Å; C750-A753 PolarHBondContact O-N 2.67Å; C750-A753 PolarHBondContact SG-N 2.82Å; C750-Q754 PolarHBondContact N-O 3.04Å; C750-Q754 PolarHBondContact SG-N 3.38Å; C750-Q754 PolarHBondContact SG-O 3.26Å; C750-C774 HydrophobicContact CB-CB 4Å; C750-F781 HydrophobicContact CB-CB 3.77Å; C750-F781 HydrophobicContact CB-CD1 4.15Å; C750-F781 HydrophobicContact CB-CG 3.93Å
751	H	74.4	Confident	66.7	Low	155 Å²	155	86.4 Å²	86.4	72%	0.718	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-15	166.2	-64.1	105.2	0	0	0	114.1	F781	H751-F781 AromaticContact CE1-CD2 3.83Å; H751-F781 WeakPolarHBondContact ND1-CA 3.47Å; H751-F781 AromaticContact ND1-CD2 3.67Å
752	C	82.1	Confident	68.8	Low	51 Å²	51	92.9 Å²	92.9	35%	0.345	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	8.4	176.8	59.8	0	0	0	0	114.4	C750 Q754 C774 C779	C750-C752 HydrophobicContact CB-CB 4.49Å; C750-C752 WeakPolarHBondContact CB-SG 3.44Å; C750-C752 PolarHBondContact O-N 3.44Å; C750-C752 WeakPolarHBondContact SG-CA 3.32Å; C750-C752 WeakPolarHBondContact SG-CB 3.38Å; C750-C752 PolarHBondContact SG-N 2.66Å; C750-C752 CovalentContact SG-SG 2.07Å; C750-C752 PolarHBondContact SG-SG 3.31Å; C752-Q754 PolarHBondContact O-N 3.34Å; C752-Q754 VanDerWaalsContact O-N 3.13Å; C752-C774 PolarHBondContact SG-SG 2.92Å; C752-C779 HydrophobicContact CB-CB 4.21Å; C752-C779 PolarHBondContact SG-SG 3.09Å
753	A	78.2	Confident	70	Confident	73 Å²	73	94.1 Å²	94.1	60%	0.603	50%	0.503	S	S	*	.	S	Bend	trans	59.9	14.9	-178.1	0	0	0	0	0	116.6	C750	C750-A753 PolarHBondContact O-N 2.67Å; C750-A753 PolarHBondContact SG-N 2.82Å
754	Q	80.5	Confident	71.7	Confident	116 Å²	116	88.8 Å²	88.8	54%	0.542	50%	0.496	S	S	.	.	S	Bend	trans	-91.5	152.5	167.6	-62	-61.9	-40.5	0	0	111.4	C750 C752 S756	C750-Q754 PolarHBondContact N-O 3.04Å; C750-Q754 PolarHBondContact SG-N 3.38Å; C750-Q754 PolarHBondContact SG-O 3.26Å; C752-Q754 PolarHBondContact O-N 3.34Å; C752-Q754 VanDerWaalsContact O-N 3.13Å; Q754-S756 PolarHBondContact O-N 2.74Å
755	P	81.2	Confident	73	Confident	79 Å²	79	87.9 Å²	87.9	51%	0.513	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-56.9	129.2	172.8	-20.6	31.4	0	0	0	110.7
756	S	82.7	Confident	74.3	Confident	6 Å²	6	85.4 Å²	85.4	4%	0.042	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-74.6	145.4	172	63.5	0	0	0	0	110.7	P748 Q754 F772	P748-S756 WeakPolarHBondContact O-CB 3.38Å; P748-S756 PolarHBondContact O-N 3.06Å; P748-S756 VanDerWaalsContact O-N 3.17Å; P748-S756 PolarHBondContact O-OG 3.05Å; Q754-S756 PolarHBondContact O-N 2.74Å; S756-F772 WeakPolarHBondContact OG-CB 3.31Å; S756-F772 WeakPolarHBondContact OG-CD1 3.13Å
757	A	83	Confident	74.9	Confident	37 Å²	37	80.5 Å²	80.5	31%	0.306	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.5	174.6	0	0	0	0	0	109.4	A773	A757-A773 PolarHBondContact N-O 3.32Å; A757-A773 PolarHBondContact O-N 2.86Å
758	M	86.2	Confident	75.6	Confident	102 Å²	102	81.2 Å²	81.2	50%	0.502	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.6	169.8	-168.7	175.5	65.9	0	0	109.5	D770 Y771 F772 K785	M758-D770 HydrophobicContact CG-CB 4.4Å; M758-Y771 CarbonylContact C-O 3.42Å; M758-Y771 WeakPolarHBondContact CA-O 3.08Å; M758-F772 HydrophobicContact CB-CD1 4.04Å; M758-F772 HydrophobicContact CB-CE1 3.79Å; M758-F772 HydrophobicContact CG-CE1 4.17Å; M758-F772 HydrophobicContact CG-CZ 4.49Å; M758-K785 HydrophobicContact SD-CD 3.95Å; M758-K785 PolarHBondContact SD-NZ 3.03Å
759	R	84.1	Confident	76	Confident	114 Å²	114	84 Å²	84	43%	0.43	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.9	179.1	-66.7	-174.1	176.2	178.5	1.1	109.2	D770 Y771	R759-D770 CarbonylContact O-C 3.52Å; R759-D770 WeakPolarHBondContact O-CA 3.12Å; R759-Y771 HydrophobicContact CB-CD1 4.3Å; R759-Y771 HydrophobicContact CB-CD2 4.31Å; R759-Y771 HydrophobicContact CB-CE1 3.73Å; R759-Y771 HydrophobicContact CB-CE2 3.77Å; R759-Y771 VanDerWaalsContact CB-CZ 3.43Å; R759-Y771 HydrophobicContact CG-CE2 4.43Å; R759-Y771 PolarHBondContact N-O 3.39Å; R759-Y771 WeakPolarHBondContact O-CD1 3.41Å; R759-Y771 PolarHBondContact O-N 3.21Å; R759-Y771 VanDerWaalsContact O-O 3.05Å
760	T	84.8	Confident	76.1	Confident	70 Å²	70	80.4 Å²	80.4	43%	0.429	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.4	176.2	-47.4	0	0	0	0	109.5	R762 D770	T760-R762 PolarHBondContact O-N 2.96Å; T760-D770 WeakPolarHBondContact CB-OD1 3.14Å; T760-D770 PolarHBondContact OG1-OD1 3.43Å
761	C	73.4	Confident	76.4	Confident	31 Å²	31	82.2 Å²	82.2	21%	0.209	47%	0.473	C	S	.	.			trans	-67.3	122.8	179.9	-163.8	0	0	0	0	109.4	N763 N766 A767 G768 R769 Y771	C761-N763 PolarHBondContact SG-O 3.49Å; C761-N766 WeakPolarHBondContact CB-O 3.22Å; C761-A767 CarbonylContact O-C 3.46Å; C761-A767 WeakPolarHBondContact O-CA 3.37Å; C761-G768 PolarHBondContact O-N 2.83Å; C761-R769 PolarHBondContact N-O 2.62Å; C761-Y771 HydrophobicContact CB-CD1 4.32Å; C761-Y771 HydrophobicContact CB-CE1 4.17Å
762	R	68.4	Low	76.9	Confident	223 Å²	223	75.8 Å²	75.8	84%	0.842	44%	0.443	S	S	*	.			trans	-87.9	-25.1	-174.1	-67.2	-172.2	-179.5	-174.2	-0.2	114.2	T760	T760-R762 PolarHBondContact O-N 2.96Å
763	N	57	Low	77	Confident	137 Å²	137	73.9 Å²	73.9	73%	0.733	43%	0.431	S	S	*	.	S	Bend	trans	-136.6	160.3	-171.8	-63.4	-30.3	0	0	0	112.2	C761	C761-N763 PolarHBondContact SG-O 3.49Å
764	G	62.1	Low	77.2	Confident	64 Å²	64	70.9 Å²	70.9	66%	0.66	41%	0.405	S	S	*	.	S	Bend	trans	84.5	-172.2	173.3	0	0	0	0	0	114.8	N766 A767	G764-N766 PolarHBondContact O-N 3.41Å; G764-A767 WeakPolarHBondContact O-CB 3.47Å; G764-A767 PolarHBondContact O-N 3.2Å
765	A	56.8	Low	77.1	Confident	110 Å²	110	69 Å²	69	91%	0.909	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-6.5	-176	0	0	0	0	0	115
766	N	67.3	Low	76.6	Confident	63 Å²	63	68.7 Å²	68.7	34%	0.337	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	16	176.1	-64.5	-58.2	0	0	0	112.5	C761 G764 G768 R769 W784	C761-N766 WeakPolarHBondContact CB-O 3.22Å; G764-N766 PolarHBondContact O-N 3.41Å; N766-G768 PolarHBondContact O-N 3.44Å; N766-R769 WeakPolarHBondContact O-CB 3.11Å; N766-R769 PolarHBondContact O-N 3.25Å; N766-R769 PolarHBondContact OD1-NH1 2.99Å; N766-W784 HydrophobicContact CB-CH2 3.61Å; N766-W784 HydrophobicContact CB-CZ2 4.16Å; N766-W784 HydrophobicContact CB-CZ3 4.41Å
767	A	71.6	Confident	75.8	Confident	58 Å²	58	74.8 Å²	74.8	48%	0.479	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132	177.1	0	0	0	0	0	110.8	C761 G764	C761-A767 CarbonylContact O-C 3.46Å; C761-A767 WeakPolarHBondContact O-CA 3.37Å; G764-A767 WeakPolarHBondContact O-CB 3.47Å; G764-A767 PolarHBondContact O-N 3.2Å
768	G	77.9	Confident	75.3	Confident	57 Å²	57	78.1 Å²	78.1	59%	0.588	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-7.6	-174.9	0	0	0	0	0	115.5	C761 N766	C761-G768 PolarHBondContact O-N 2.83Å; N766-G768 PolarHBondContact O-N 3.44Å
769	R	82.2	Confident	74.6	Confident	97 Å²	97	74.3 Å²	74.3	37%	0.366	45%	0.454	S	S	.	.			trans	-83.9	135.6	176.3	-66.9	-175.7	79.3	-173.5	5.6	112.2	C761 N766 W784 D786	C761-R769 PolarHBondContact N-O 2.62Å; N766-R769 WeakPolarHBondContact O-CB 3.11Å; N766-R769 PolarHBondContact O-N 3.25Å; N766-R769 PolarHBondContact OD1-NH1 2.99Å; R769-W784 HydrophobicContact CB-CE3 3.93Å; R769-W784 HydrophobicContact CB-CH2 4.27Å; R769-W784 HydrophobicContact CB-CZ3 3.45Å; R769-W784 VanDerWaalsContact CB-CZ3 3.45Å; R769-D786 IonicContact CZ-OD2 2.72Å; R769-D786 IonicContact NE-OD2 3.44Å; R769-D786 PolarHBondContact NE-OD2 2.95Å; R769-D786 IonicContact NH2-OD2 2.91Å; R769-D786 PolarHBondContact NH2-OD2 3.35Å
770	D	83.3	Confident	74.3	Confident	37 Å²	37	80.4 Å²	80.4	20%	0.198	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.6	176.6	-70.9	-17.6	0	0	0	111.5	M758 R759 T760 K785	M758-D770 HydrophobicContact CG-CB 4.4Å; R759-D770 CarbonylContact O-C 3.52Å; R759-D770 WeakPolarHBondContact O-CA 3.12Å; T760-D770 WeakPolarHBondContact CB-OD1 3.14Å; T760-D770 PolarHBondContact OG1-OD1 3.43Å; D770-K785 HydrophobicContact CB-CB 3.89Å; D770-K785 HydrophobicContact CB-CD 3.53Å; D770-K785 HydrophobicContact CB-CG 4.41Å; D770-K785 WeakPolarHBondContact O-CB 3.44Å; D770-K785 PolarHBondContact O-N 3.06Å; D770-K785 IonicContact OD2-NZ 3.6Å; D770-K785 PolarHBondContact OD2-NZ 3.13Å
771	Y	86.6	Confident	74.1	Confident	46 Å²	46	78.4 Å²	78.4	18%	0.18	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.8	174.8	67	-84.5	0	0	0	110.4	M758 R759 C761 A773 F782 S783 W784	M758-Y771 CarbonylContact C-O 3.42Å; M758-Y771 WeakPolarHBondContact CA-O 3.08Å; R759-Y771 HydrophobicContact CB-CD1 4.3Å; R759-Y771 HydrophobicContact CB-CD2 4.31Å; R759-Y771 HydrophobicContact CB-CE1 3.73Å; R759-Y771 HydrophobicContact CB-CE2 3.77Å; R759-Y771 VanDerWaalsContact CB-CZ 3.43Å; R759-Y771 HydrophobicContact CG-CE2 4.43Å; R759-Y771 PolarHBondContact N-O 3.39Å; R759-Y771 WeakPolarHBondContact O-CD1 3.41Å; R759-Y771 PolarHBondContact O-N 3.21Å; R759-Y771 VanDerWaalsContact O-O 3.05Å; C761-Y771 HydrophobicContact CB-CD1 4.32Å; C761-Y771 HydrophobicContact CB-CE1 4.17Å; Y771-A773 HydrophobicContact CD2-CB 3.86Å; Y771-A773 HydrophobicContact CE2-CB 3.62Å; Y771-F782 HydrophobicContact CD1-CE2 4.23Å; Y771-F782 AromaticContact CD2-CD2 3.53Å; Y771-F782 HydrophobicContact CD2-CD2 3.53Å; Y771-F782 AromaticContact CD2-CE2 3.32Å; Y771-F782 HydrophobicContact CD2-CE2 3.32Å; Y771-F782 HydrophobicContact CD2-CZ 4.41Å; Y771-F782 HydrophobicContact CE2-CD2 4.15Å; Y771-F782 HydrophobicContact CE2-CE2 4.03Å; Y771-F782 HydrophobicContact CG-CD2 4.11Å; Y771-F782 AromaticContact CG-CE2 3.44Å; Y771-F782 HydrophobicContact CG-CE2 3.44Å; Y771-F782 VanDerWaalsContact CG-CE2 3.44Å; Y771-F782 HydrophobicContact CG-CZ 4.17Å; Y771-S783 CarbonylContact C-O 3.52Å; Y771-S783 VanDerWaalsContact CA-O 3.28Å; Y771-S783 WeakPolarHBondContact CA-O 3.08Å; Y771-W784 HydrophobicContact CD1-CZ3 4.29Å
772	F	86.5	Confident	74.7	Confident	20 Å²	20	81.8 Å²	81.8	9%	0.088	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.1	170.8	-69.1	-76.3	0	0	0	109.2	P748 S756 M758 F781 F782 S783 K785	P748-F772 HydrophobicContact CG-CB 3.99Å; P748-F772 HydrophobicContact CG-CD1 4.25Å; P748-F772 HydrophobicContact CG-CD2 3.8Å; P748-F772 HydrophobicContact CG-CE2 4.31Å; P748-F772 HydrophobicContact CG-CG 3.75Å; S756-F772 WeakPolarHBondContact OG-CB 3.31Å; S756-F772 WeakPolarHBondContact OG-CD1 3.13Å; M758-F772 HydrophobicContact CB-CD1 4.04Å; M758-F772 HydrophobicContact CB-CE1 3.79Å; M758-F772 HydrophobicContact CG-CE1 4.17Å; M758-F772 HydrophobicContact CG-CZ 4.49Å; F772-F781 HydrophobicContact CB-CE1 4.05Å; F772-F782 CarbonylContact O-C 3.57Å; F772-F782 VanDerWaalsContact O-CA 3.31Å; F772-F782 WeakPolarHBondContact O-CA 3.46Å; F772-S783 PolarHBondContact N-O 3.36Å; F772-S783 PolarHBondContact O-N 3.05Å; F772-K785 HydrophobicContact CE2-CB 4.06Å; F772-K785 HydrophobicContact CE2-CG 4.09Å
773	A	83.1	Confident	75.3	Confident	12 Å²	12	72.6 Å²	72.6	10%	0.099	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.9	174.3	0	0	0	0	0	111.1	A757 Y771 F781	A757-A773 PolarHBondContact N-O 3.32Å; A757-A773 PolarHBondContact O-N 2.86Å; Y771-A773 HydrophobicContact CD2-CB 3.86Å; Y771-A773 HydrophobicContact CE2-CB 3.62Å; A773-F781 WeakPolarHBondContact CA-O 3.48Å
774	C	83.4	Confident	76.5	Confident	9 Å²	9	68.6 Å²	68.6	6%	0.061	42%	0.418	C	S	.	.			trans	-68.6	144.8	177.2	-166.9	0	0	0	0	111.7	C750 C752 T776 C779 F781	C750-C774 HydrophobicContact CB-CB 4Å; C752-C774 PolarHBondContact SG-SG 2.92Å; C774-T776 VanDerWaalsContact C-N 3.33Å; C774-T776 PolarHBondContact SG-OG1 2.83Å; C774-C779 HydrophobicContact CB-CB 3.63Å; C774-C779 VanDerWaalsContact SG-CB 3.54Å; C774-F781 HydrophobicContact CB-CB 4.38Å
775	A	77	Confident	77.2	Confident	78 Å²	78	69.9 Å²	69.9	65%	0.645	41%	0.405	S	S	*	.	S	Bend	trans	-71.4	-27.1	175.2	0	0	0	0	0	112.8
776	T	71.6	Confident	78	Confident	72 Å²	72	68.9 Å²	68.9	44%	0.442	39%	0.385	S	S	.	.	S	Bend	trans	-86.9	132	177.2	21.3	0	0	0	0	111.8	C774 S778 C779	C774-T776 VanDerWaalsContact C-N 3.33Å; C774-T776 PolarHBondContact SG-OG1 2.83Å; T776-S778 PolarHBondContact O-N 3.43Å; T776-S778 VanDerWaalsContact O-N 3.14Å; T776-C779 PolarHBondContact O-N 3.15Å
777	S	66.5	Low	77.2	Confident	134 Å²	134	71.8 Å²	71.8	94%	0.937	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16	-178.7	46.7	0	0	0	0	114.6
778	S	71	Confident	75.4	Confident	107 Å²	107	75.6 Å²	75.6	75%	0.748	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.6	178.2	52.5	0	0	0	0	114.1	T776	T776-S778 PolarHBondContact O-N 3.43Å; T776-S778 VanDerWaalsContact O-N 3.14Å
779	C	72	Confident	73	Confident	22 Å²	22	77.5 Å²	77.5	15%	0.149	42%	0.417	C	S	.	.			trans	-100.3	113.4	-177.1	-179.9	0	0	0	0	111.5	C752 C774 T776 F781	C752-C779 HydrophobicContact CB-CB 4.21Å; C752-C779 PolarHBondContact SG-SG 3.09Å; C774-C779 HydrophobicContact CB-CB 3.63Å; C774-C779 VanDerWaalsContact SG-CB 3.54Å; T776-C779 PolarHBondContact O-N 3.15Å; C779-F781 PolarHBondContact O-N 3.06Å; C779-F781 VanDerWaalsContact O-N 3.08Å
780	R	78.2	Confident	70.3	Confident	241 Å²	241	79.1 Å²	79.1	91%	0.909	44%	0.44	S	S	*	.			trans	-80.6	25.5	-177.6	-61.9	-170.9	-180	-177.6	1.2	114.5
781	F	79.8	Confident	67.6	Low	28 Å²	28	81.7 Å²	81.7	12%	0.123	47%	0.466	C	S	.	.			trans	-69.9	130.2	177.4	178	-97.5	0	0	0	111.5	P748 L749 C750 H751 F772 A773 C774 C779	P748-F781 HydrophobicContact CB-CZ 4.08Å; P748-F781 HydrophobicContact CG-CE1 4.38Å; P748-F781 HydrophobicContact CG-CZ 4.09Å; L749-F781 WeakPolarHBondContact O-CE2 3.11Å; C750-F781 HydrophobicContact CB-CB 3.77Å; C750-F781 HydrophobicContact CB-CD1 4.15Å; C750-F781 HydrophobicContact CB-CG 3.93Å; H751-F781 AromaticContact CE1-CD2 3.83Å; H751-F781 WeakPolarHBondContact ND1-CA 3.47Å; H751-F781 AromaticContact ND1-CD2 3.67Å; F772-F781 HydrophobicContact CB-CE1 4.05Å; A773-F781 WeakPolarHBondContact CA-O 3.48Å; C774-F781 HydrophobicContact CB-CB 4.38Å; C779-F781 PolarHBondContact O-N 3.06Å; C779-F781 VanDerWaalsContact O-N 3.08Å
782	F	87.3	Confident	64.7	Low	102 Å²	102	85.8 Å²	85.8	45%	0.447	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	130.5	176.7	175.3	-88	0	0	0	109.5	Y771 F772 W784	Y771-F782 HydrophobicContact CD1-CE2 4.23Å; Y771-F782 AromaticContact CD2-CD2 3.53Å; Y771-F782 HydrophobicContact CD2-CD2 3.53Å; Y771-F782 AromaticContact CD2-CE2 3.32Å; Y771-F782 HydrophobicContact CD2-CE2 3.32Å; Y771-F782 HydrophobicContact CD2-CZ 4.41Å; Y771-F782 HydrophobicContact CE2-CD2 4.15Å; Y771-F782 HydrophobicContact CE2-CE2 4.03Å; Y771-F782 HydrophobicContact CG-CD2 4.11Å; Y771-F782 AromaticContact CG-CE2 3.44Å; Y771-F782 HydrophobicContact CG-CE2 3.44Å; Y771-F782 VanDerWaalsContact CG-CE2 3.44Å; Y771-F782 HydrophobicContact CG-CZ 4.17Å; F772-F782 CarbonylContact O-C 3.57Å; F772-F782 VanDerWaalsContact O-CA 3.31Å; F772-F782 WeakPolarHBondContact O-CA 3.46Å; F782-W784 AromaticContact CE1-CD1 3.82Å; F782-W784 HydrophobicContact CE1-CD2 4.12Å; F782-W784 AromaticContact CE1-CE2 3.7Å; F782-W784 HydrophobicContact CE1-CG 4.21Å; F782-W784 HydrophobicContact CE1-CZ2 4.18Å; F782-W784 AromaticContact CE1-NE1 3.49Å; F782-W784 AromaticContact CZ-CD2 3.81Å; F782-W784 HydrophobicContact CZ-CD2 3.81Å; F782-W784 AromaticContact CZ-CE2 3.44Å; F782-W784 VanDerWaalsContact CZ-CE2 3.44Å; F782-W784 HydrophobicContact CZ-CE3 4.23Å; F782-W784 HydrophobicContact CZ-CG 4.36Å; F782-W784 AromaticContact CZ-CH2 3.96Å; F782-W784 HydrophobicContact CZ-CH2 3.96Å; F782-W784 AromaticContact CZ-CZ2 3.55Å; F782-W784 HydrophobicContact CZ-CZ2 3.55Å; F782-W784 HydrophobicContact CZ-CZ3 4.28Å; F782-W784 AromaticContact CZ-NE1 3.77Å
783	S	79.7	Confident	61.7	Low	31 Å²	31	90.4 Å²	90.4	22%	0.217	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	135.8	171.3	-176.8	0	0	0	0	110.7	Y771 F772	Y771-S783 CarbonylContact C-O 3.52Å; Y771-S783 VanDerWaalsContact CA-O 3.28Å; Y771-S783 WeakPolarHBondContact CA-O 3.08Å; F772-S783 PolarHBondContact N-O 3.36Å; F772-S783 PolarHBondContact O-N 3.05Å
784	W	83.1	Confident	58.9	Low	53 Å²	53	99 Å²	99	20%	0.201	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.9	140.8	170.4	-66.1	107.3	0	0	0	110.2	N766 R769 Y771 F782 D786 L787	N766-W784 HydrophobicContact CB-CH2 3.61Å; N766-W784 HydrophobicContact CB-CZ2 4.16Å; N766-W784 HydrophobicContact CB-CZ3 4.41Å; R769-W784 HydrophobicContact CB-CE3 3.93Å; R769-W784 HydrophobicContact CB-CH2 4.27Å; R769-W784 HydrophobicContact CB-CZ3 3.45Å; R769-W784 VanDerWaalsContact CB-CZ3 3.45Å; Y771-W784 HydrophobicContact CD1-CZ3 4.29Å; F782-W784 AromaticContact CE1-CD1 3.82Å; F782-W784 HydrophobicContact CE1-CD2 4.12Å; F782-W784 AromaticContact CE1-CE2 3.7Å; F782-W784 HydrophobicContact CE1-CG 4.21Å; F782-W784 HydrophobicContact CE1-CZ2 4.18Å; F782-W784 AromaticContact CE1-NE1 3.49Å; F782-W784 AromaticContact CZ-CD2 3.81Å; F782-W784 HydrophobicContact CZ-CD2 3.81Å; F782-W784 AromaticContact CZ-CE2 3.44Å; F782-W784 VanDerWaalsContact CZ-CE2 3.44Å; F782-W784 HydrophobicContact CZ-CE3 4.23Å; F782-W784 HydrophobicContact CZ-CG 4.36Å; F782-W784 AromaticContact CZ-CH2 3.96Å; F782-W784 HydrophobicContact CZ-CH2 3.96Å; F782-W784 AromaticContact CZ-CZ2 3.55Å; F782-W784 HydrophobicContact CZ-CZ2 3.55Å; F782-W784 HydrophobicContact CZ-CZ3 4.28Å; F782-W784 AromaticContact CZ-NE1 3.77Å; W784-D786 PolarHBondContact O-N 2.82Å; W784-L787 HydrophobicContact CB-CD1 4.11Å; W784-L787 PolarHBondContact O-N 3.12Å
785	K	76.9	Confident	56	Low	90 Å²	90	110.8 Å²	110.8	39%	0.391	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-58.4	-33.8	177.6	-178	177.1	176.3	174.1	0	112	M758 D770 F772 L787	M758-K785 HydrophobicContact SD-CD 3.95Å; M758-K785 PolarHBondContact SD-NZ 3.03Å; D770-K785 HydrophobicContact CB-CB 3.89Å; D770-K785 HydrophobicContact CB-CD 3.53Å; D770-K785 HydrophobicContact CB-CG 4.41Å; D770-K785 WeakPolarHBondContact O-CB 3.44Å; D770-K785 PolarHBondContact O-N 3.06Å; D770-K785 IonicContact OD2-NZ 3.6Å; D770-K785 PolarHBondContact OD2-NZ 3.13Å; F772-K785 HydrophobicContact CE2-CB 4.06Å; F772-K785 HydrophobicContact CE2-CG 4.09Å; K785-L787 PolarHBondContact O-N 3.49Å; K785-L787 VanDerWaalsContact O-N 3.16Å
786	D	72.3	Confident	53.6	Low	90 Å²	90	111.4 Å²	111.4	48%	0.481	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-74.4	-3.3	-171.9	-34.5	-21.6	0	0	0	114.3	R769 W784 N788	R769-D786 IonicContact CZ-OD2 2.72Å; R769-D786 IonicContact NE-OD2 3.44Å; R769-D786 PolarHBondContact NE-OD2 2.95Å; R769-D786 IonicContact NH2-OD2 2.91Å; R769-D786 PolarHBondContact NH2-OD2 3.35Å; W784-D786 PolarHBondContact O-N 2.82Å; D786-N788 VanDerWaalsContact C-N 3.34Å
787	L	51.3	Low	51.4	Low	123 Å²	123	114.1 Å²	114.1	64%	0.644	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-82.3	-6.6	-179.1	-87.1	154.2	0	0	0	114.1	W784 K785	W784-L787 HydrophobicContact CB-CD1 4.11Å; W784-L787 PolarHBondContact O-N 3.12Å; K785-L787 PolarHBondContact O-N 3.49Å; K785-L787 VanDerWaalsContact O-N 3.16Å
788	N	33	Very low	49.3	Very low	138 Å²	138	119.7 Å²	119.7	74%	0.738	63%	0.634	S	S	*	*	S	Bend	trans	-116.8	37.5	-173.9	-89.5	1.2	0	0	0	115	D786	D786-N788 VanDerWaalsContact C-N 3.34Å
789	S	28.1	Very low	47.2	Very low	98 Å²	98	119.8 Å²	119.8	69%	0.685	63%	0.63	S	S	*	*	S	Bend	trans	-119	129.9	168.3	-72.5	0	0	0	0	111.3	A791	S789-A791 PolarHBondContact O-N 3.07Å
790	P	25.3	Very low	45.1	Very low	131 Å²	131	127.2 Å²	127.2	85%	0.851	67%	0.668	S	S	*	*			trans	-76.3	96.4	178.9	30.5	-30.4	0	0	0	109.6	T792	P790-T792 PolarHBondContact O-N 3.48Å
791	A	27.3	Very low	43.1	Very low	91 Å²	91	120 Å²	120	75%	0.752	66%	0.655	S	S	*	*			trans	-85.1	93.7	177.2	0	0	0	0	0	111.5	S789	S789-A791 PolarHBondContact O-N 3.07Å
792	T	25.4	Very low	41.6	Very low	132 Å²	132	125.2 Å²	125.2	81%	0.81	68%	0.684	S	S	*	*			trans	50	108.3	132.1	-21.2	0	0	0	0	119.7	P790	P790-T792 PolarHBondContact O-N 3.48Å
793	S	23.1	Very low	40.5	Very low	117 Å²	117	123.7 Å²	123.7	82%	0.818	69%	0.685	S	S	*	*			trans	-46.3	125.4	163.2	-52.8	0	0	0	0	114.1
794	Q	25.3	Very low	40.1	Very low	192 Å²	192	123.5 Å²	123.5	90%	0.897	68%	0.682	S	S	*	*			trans	-111.8	113.4	141.1	-81.4	-172.9	-9.4	0	0	108.2	A796	Q794-A796 PolarHBondContact O-N 3.36Å
795	R	22.9	Very low	40.1	Very low	257 Å²	257	125 Å²	125	97%	0.97	69%	0.693	S	S	*	*			trans	-53.4	106.6	167.7	-99.6	174.4	170.3	176	-2.9	108.5
796	A	24.5	Very low	40.2	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	68%	0.677	S	S	*	*			trans	-103.2	130.6	153.3	0	0	0	0	0	107.5	Q794 R798	Q794-A796 PolarHBondContact O-N 3.36Å; A796-R798 PolarHBondContact O-N 3.06Å
797	T	25.9	Very low	40	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	69%	0.686	S	S	*	*			trans	-38.3	119.3	-178.9	43.7	0	0	0	0	113.3	T799	T797-T799 PolarHBondContact O-N 3.15Å
798	R	23.4	Very low	40.8	Very low	251 Å²	251	119.6 Å²	119.6	95%	0.947	67%	0.673	S	S	*	*			trans	-64.9	110	164.3	-85.6	178.3	164.9	170.5	-5.1	108.3	A796	A796-R798 PolarHBondContact O-N 3.06Å
799	T	26.9	Very low	42.6	Very low	109 Å²	109	114.3 Å²	114.3	67%	0.669	65%	0.651	S	S	*	*			trans	-107.3	127.2	154	43.8	0	0	0	0	107.4	T797 S801	T797-T799 PolarHBondContact O-N 3.15Å; T799-S801 VanDerWaalsContact C-N 3.33Å; T799-S801 PolarHBondContact O-N 3.23Å; T799-S801 PolarHBondContact O-OG 3.05Å
800	D	27.7	Very low	44.9	Very low	178 Å²	178	113 Å²	113	95%	0.952	64%	0.636	S	S	*	*	S	Bend	trans	-57.2	84.9	179.4	-85.1	-43	0	0	0	112.2
801	S	36	Very low	47.8	Very low	91 Å²	91	112.7 Å²	112.7	64%	0.636	62%	0.623	S	S	*	*			trans	-148.8	138.5	174.4	46.9	0	0	0	0	110.8	T799	T799-S801 VanDerWaalsContact C-N 3.33Å; T799-S801 PolarHBondContact O-N 3.23Å; T799-S801 PolarHBondContact O-OG 3.05Å
802	N	47.6	Very low	50.6	Low	136 Å²	136	109 Å²	109	73%	0.727	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-52.5	139.6	-172.3	-92.1	-28.2	0	0	0	112.9	V804	N802-V804 PolarHBondContact O-N 3.21Å
803	P	64.5	Low	53.5	Low	70 Å²	70	104.7 Å²	104.7	46%	0.455	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-64.5	130.5	176.6	26.1	-32.5	0	0	0	110.7	M805 E811	P803-M805 PolarHBondContact O-N 2.86Å; P803-E811 HydrophobicContact CB-CG 4.05Å; P803-E811 WeakPolarHBondContact CB-OE1 3.4Å
804	V	71.8	Confident	56.7	Low	27 Å²	27	103.5 Å²	103.5	16%	0.164	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-74.7	121.9	178	179.4	0	0	0	0	108.9	N802 C812 Y829 F841 L843	N802-V804 PolarHBondContact O-N 3.21Å; V804-C812 HydrophobicContact CB-CB 4.43Å; V804-C812 HydrophobicContact CG1-CB 4.33Å; V804-C812 WeakPolarHBondContact O-CB 3.45Å; V804-C812 PolarHBondContact O-N 3.46Å; V804-C812 PolarHBondContact O-SG 3.32Å; V804-C812 VanDerWaalsContact O-SG 3.41Å; V804-Y829 HydrophobicContact CB-CD1 3.75Å; V804-Y829 HydrophobicContact CB-CD2 4.14Å; V804-Y829 HydrophobicContact CB-CE1 3.96Å; V804-Y829 HydrophobicContact CB-CE2 4.33Å; V804-Y829 HydrophobicContact CB-CG 3.83Å; V804-Y829 HydrophobicContact CG1-CD1 4.18Å; V804-Y829 HydrophobicContact CG1-CD2 4.07Å; V804-Y829 HydrophobicContact CG1-CG 3.78Å; V804-Y829 HydrophobicContact CG2-CD1 4.04Å; V804-Y829 HydrophobicContact CG2-CD2 3.83Å; V804-Y829 HydrophobicContact CG2-CE1 3.84Å; V804-Y829 HydrophobicContact CG2-CE2 3.61Å; V804-Y829 HydrophobicContact CG2-CG 4.03Å; V804-F841 HydrophobicContact CG1-CE1 3.71Å; V804-F841 HydrophobicContact CG1-CZ 3.57Å; V804-L843 HydrophobicContact CG1-CD2 3.88Å; V804-L843 HydrophobicContact CG2-CD2 4.44Å
805	M	81.9	Confident	59.7	Low	86 Å²	86	97.1 Å²	97.1	42%	0.424	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-104.7	141	-176.1	-57.4	-62.1	-75.7	0	0	111.3	P803 G809 E811 C812 F841	P803-M805 PolarHBondContact O-N 2.86Å; M805-G809 WeakPolarHBondContact CE-O 3.33Å; M805-E811 HydrophobicContact SD-CB 4.07Å; M805-C812 VanDerWaalsContact C-SG 3.52Å; M805-F841 VanDerWaalsContact O-CE2 3.3Å; M805-F841 WeakPolarHBondContact O-CE2 3.33Å; M805-F841 WeakPolarHBondContact O-CZ 2.98Å
806	C	81.1	Confident	62.8	Low	8 Å²	8	88.1 Å²	88.1	5%	0.054	50%	0.496	C	S	.	.			trans	-87.4	174.3	175.4	70.8	0	0	0	0	112.5	C808 G809 L810 C812 C831 C839 F841	C806-C808 PolarHBondContact O-N 2.92Å; C806-C808 PolarHBondContact SG-N 3.26Å; C806-G809 PolarHBondContact O-N 3.45Å; C806-L810 PolarHBondContact N-O 3.06Å; C806-L810 PolarHBondContact SG-O 3.46Å; C806-C812 WeakPolarHBondContact CB-SG 3.45Å; C806-C812 PolarHBondContact N-SG 3.27Å; C806-C831 HydrophobicContact CB-CB 4.04Å; C806-C839 VanDerWaalsContact CB-SG 3.59Å; C806-F841 HydrophobicContact CB-CB 3.69Å; C806-F841 HydrophobicContact CB-CD1 3.99Å; C806-F841 HydrophobicContact CB-CD2 4.49Å; C806-F841 HydrophobicContact CB-CG 3.8Å
807	N	67.3	Low	65.9	Low	127 Å²	127	85.3 Å²	85.3	68%	0.679	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.6	177.3	-59.3	-0	0	0	0	114.3	G809 C839	N807-G809 VanDerWaalsContact C-N 3.3Å; N807-C839 HydrophobicContact CB-CB 3.99Å; N807-C839 PolarHBondContact N-SG 3.03Å; N807-C839 VanDerWaalsContact N-SG 3.42Å
808	C	68.6	Low	68.6	Low	54 Å²	54	90 Å²	90	37%	0.365	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.3	169.8	-62.1	0	0	0	0	113.1	C806 L810 C839	C806-C808 PolarHBondContact O-N 2.92Å; C806-C808 PolarHBondContact SG-N 3.26Å; C808-L810 VanDerWaalsContact C-N 3.27Å; C808-L810 HydrophobicContact CB-CD1 4.16Å; C808-L810 HydrophobicContact CB-CG 4.26Å; C808-L810 PolarHBondContact O-N 3.05Å; C808-C839 VanDerWaalsContact SG-CB 3.54Å
809	G	71	Confident	71.4	Confident	27 Å²	27	86.4 Å²	86.4	28%	0.278	46%	0.464	S	S	.	.	S	Bend	trans	71.3	20.7	-172.4	0	0	0	0	0	113.9	M805 C806 N807	M805-G809 WeakPolarHBondContact CE-O 3.33Å; C806-G809 PolarHBondContact O-N 3.45Å; N807-G809 VanDerWaalsContact C-N 3.3Å
810	L	76.2	Confident	73.7	Confident	71 Å²	71	88.2 Å²	88.2	37%	0.372	47%	0.465	S	S	.	.	S	Bend	trans	-103.1	147.1	174.8	-62.2	168.7	0	0	0	109.9	C806 C808 C812 K833	C806-L810 PolarHBondContact N-O 3.06Å; C806-L810 PolarHBondContact SG-O 3.46Å; C808-L810 VanDerWaalsContact C-N 3.27Å; C808-L810 HydrophobicContact CB-CD1 4.16Å; C808-L810 HydrophobicContact CB-CG 4.26Å; C808-L810 PolarHBondContact O-N 3.05Å; L810-C812 PolarHBondContact O-N 2.73Å; L810-K833 HydrophobicContact CD1-CD 4.13Å; L810-K833 HydrophobicContact CD1-CG 3.61Å
811	E	85.1	Confident	76.1	Confident	124 Å²	124	81.5 Å²	81.5	58%	0.579	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-59.8	129.2	173.1	-174.4	171.9	-169.2	0	0	110.2	P803 M805 S832	P803-E811 HydrophobicContact CB-CG 4.05Å; P803-E811 WeakPolarHBondContact CB-OE1 3.4Å; M805-E811 HydrophobicContact SD-CB 4.07Å; E811-S832 WeakPolarHBondContact O-CB 3.39Å; E811-S832 PolarHBondContact O-OG 2.67Å
812	C	85.7	Confident	77.9	Confident	12 Å²	12	82.8 Å²	82.8	8%	0.081	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-71.7	142.3	-177.9	-72.3	0	0	0	0	111.4	V804 M805 C806 L810 Y829 S830 F841	V804-C812 HydrophobicContact CB-CB 4.43Å; V804-C812 HydrophobicContact CG1-CB 4.33Å; V804-C812 WeakPolarHBondContact O-CB 3.45Å; V804-C812 PolarHBondContact O-N 3.46Å; V804-C812 PolarHBondContact O-SG 3.32Å; V804-C812 VanDerWaalsContact O-SG 3.41Å; M805-C812 VanDerWaalsContact C-SG 3.52Å; C806-C812 WeakPolarHBondContact CB-SG 3.45Å; C806-C812 PolarHBondContact N-SG 3.27Å; L810-C812 PolarHBondContact O-N 2.73Å; C812-Y829 HydrophobicContact CB-CD1 3.97Å; C812-Y829 HydrophobicContact CB-CG 4.32Å; C812-S830 CarbonylContact C-O 3.59Å; C812-S830 VanDerWaalsContact CA-O 3.3Å; C812-S830 WeakPolarHBondContact CA-O 3.12Å; C812-S830 WeakPolarHBondContact CB-O 3.45Å; C812-F841 HydrophobicContact CB-CE1 4.43Å; C812-F841 WeakPolarHBondContact SG-CD1 3.18Å; C812-F841 WeakPolarHBondContact SG-CE1 3.49Å
813	S	86.4	Confident	79.5	Confident	43 Å²	43	79.1 Å²	79.1	30%	0.301	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.6	166	-51	0	0	0	0	109.3	L815 Y829 S830 S832	S813-L815 PolarHBondContact O-N 3.28Å; S813-Y829 WeakPolarHBondContact O-CA 3.34Å; S813-S830 PolarHBondContact N-O 3.26Å; S813-S830 PolarHBondContact O-N 3.16Å; S813-S832 WeakPolarHBondContact OG-CA 3.48Å; S813-S832 WeakPolarHBondContact OG-CB 3.48Å
814	L	90.2	Very high	80.6	Confident	92 Å²	92	81.2 Å²	81.2	48%	0.482	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.3	165	-174.4	66.1	0	0	0	108.6	N827 Y829 A845	L814-N827 HydrophobicContact CD1-CB 3.91Å; L814-N827 HydrophobicContact CG-CB 4.44Å; L814-Y829 HydrophobicContact CB-CD1 4.28Å; L814-Y829 HydrophobicContact CB-CE1 4.09Å; L814-Y829 HydrophobicContact CD1-CD1 4.07Å; L814-Y829 HydrophobicContact CD1-CD2 4.37Å; L814-Y829 HydrophobicContact CD1-CE1 3.81Å; L814-Y829 HydrophobicContact CD1-CE2 4.12Å; L814-Y829 HydrophobicContact CD1-CG 4.35Å; L814-Y829 HydrophobicContact CG-CE1 4.47Å; L814-A845 HydrophobicContact CD1-CB 3.56Å
815	L	88.3	Confident	81.3	Confident	57 Å²	57	82.3 Å²	82.3	30%	0.298	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.8	-178	-63.9	179.4	0	0	0	110.2	S813 N827 F828 S830	S813-L815 PolarHBondContact O-N 3.28Å; L815-N827 CarbonylContact O-C 3.49Å; L815-N827 VanDerWaalsContact O-CA 3.28Å; L815-N827 WeakPolarHBondContact O-CA 3.09Å; L815-F828 HydrophobicContact CB-CD1 4.26Å; L815-F828 HydrophobicContact CB-CD2 4.39Å; L815-F828 HydrophobicContact CB-CE1 3.72Å; L815-F828 HydrophobicContact CB-CE2 3.88Å; L815-F828 HydrophobicContact CB-CZ 3.51Å; L815-F828 HydrophobicContact CD1-CE2 3.94Å; L815-F828 HydrophobicContact CD1-CZ 3.92Å; L815-F828 HydrophobicContact CG-CE2 4.47Å; L815-F828 HydrophobicContact CG-CZ 4.37Å; L815-F828 PolarHBondContact N-O 3.21Å; L815-F828 WeakPolarHBondContact O-CD1 2.98Å; L815-F828 PolarHBondContact O-N 3.25Å; L815-S830 WeakPolarHBondContact CD1-OG 3.47Å
816	T	89.5	Confident	81.7	Confident	69 Å²	69	82 Å²	82	42%	0.423	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.4	174.7	-49.2	0	0	0	0	109.9	R818 G825 R826 N827	T816-R818 PolarHBondContact O-N 3.3Å; T816-R818 VanDerWaalsContact O-N 3.09Å; T816-G825 VanDerWaalsContact CG2-C 3.5Å; T816-G825 WeakPolarHBondContact CG2-O 3.4Å; T816-R826 WeakPolarHBondContact CA-O 3.38Å; T816-N827 PolarHBondContact OG1-OD1 2.82Å
817	V	88	Confident	82.1	Confident	31 Å²	31	84.9 Å²	84.9	19%	0.188	45%	0.452	C	S	.	.			trans	-64.7	111.8	175.9	179	0	0	0	0	109.5	N823 G825 R826 F828 W844	V817-N823 VanDerWaalsContact CB-O 3.26Å; V817-N823 WeakPolarHBondContact CB-O 3.35Å; V817-N823 HydrophobicContact CG2-CB 4.48Å; V817-G825 PolarHBondContact O-N 3.32Å; V817-R826 WeakPolarHBondContact CG2-O 3.3Å; V817-R826 PolarHBondContact N-O 3.3Å; V817-F828 HydrophobicContact CG2-CD1 3.73Å; V817-F828 HydrophobicContact CG2-CE1 3.82Å; V817-W844 HydrophobicContact CG2-CH2 3.73Å; V817-W844 HydrophobicContact CG2-CZ3 3.68Å
818	R	83.6	Confident	83.3	Confident	228 Å²	228	80.5 Å²	80.5	86%	0.86	43%	0.427	S	S	*	.			trans	-90.7	-20.5	176.6	-64.3	-171.2	179.2	-170.1	-0.7	114	T816	T816-R818 PolarHBondContact O-N 3.3Å; T816-R818 VanDerWaalsContact O-N 3.09Å
819	K	81.1	Confident	84.3	Confident	175 Å²	175	80.7 Å²	80.7	76%	0.761	42%	0.42	S	S	*	.	S	Bend	trans	-71.4	133.8	-177.1	-168.8	177.5	179	-177.3	0	109.8	G821	K819-G821 PolarHBondContact O-N 3.45Å
820	E	75.4	Confident	85.1	Confident	147 Å²	147	79.8 Å²	79.8	69%	0.687	41%	0.41	S	S	*	.	S	Bend	trans	-52.4	133.3	172.4	-80.1	-64.9	157.9	0	0	111.4	K824	E820-K824 IonicContact OE1-NZ 2.74Å; E820-K824 PolarHBondContact OE1-NZ 3.13Å
821	G	79.1	Confident	85.7	Confident	37 Å²	37	76.5 Å²	76.5	38%	0.381	39%	0.392	S	S	.	.	S	Bend	trans	148.2	175	-176	0	0	0	0	0	113.3	K819 N823 K824	K819-G821 PolarHBondContact O-N 3.45Å; G821-N823 PolarHBondContact O-N 2.95Å; G821-K824 WeakPolarHBondContact O-CB 3.33Å; G821-K824 PolarHBondContact O-N 3.41Å
822	P	73.9	Confident	85.7	Confident	117 Å²	117	73 Å²	73	76%	0.76	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.2	-171.8	22.9	-32.8	0	0	0	115.2
823	N	80.8	Confident	85.7	Confident	60 Å²	60	75.9 Å²	75.9	32%	0.321	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	6.5	176.6	-64.2	-51.9	0	0	0	113.1	V817 G821 G825 R826 W844	V817-N823 VanDerWaalsContact CB-O 3.26Å; V817-N823 WeakPolarHBondContact CB-O 3.35Å; V817-N823 HydrophobicContact CG2-CB 4.48Å; G821-N823 PolarHBondContact O-N 2.95Å; N823-G825 PolarHBondContact O-N 3.17Å; N823-R826 HydrophobicContact CB-CB 4.49Å; N823-R826 WeakPolarHBondContact O-CB 3.36Å; N823-R826 PolarHBondContact O-N 3.49Å; N823-R826 WeakPolarHBondContact OD1-CD 3.45Å; N823-R826 PolarHBondContact OD1-NH1 3.48Å; N823-W844 HydrophobicContact CB-CH2 3.88Å
824	K	88	Confident	85.4	Confident	114 Å²	114	76.4 Å²	76.4	50%	0.496	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	128.1	177.9	-172.6	-174.9	179.7	-172.6	0	109.2	E820 G821	E820-K824 IonicContact OE1-NZ 2.74Å; E820-K824 PolarHBondContact OE1-NZ 3.13Å; G821-K824 WeakPolarHBondContact O-CB 3.33Å; G821-K824 PolarHBondContact O-N 3.41Å
825	G	86.4	Confident	84.7	Confident	49 Å²	49	77.4 Å²	77.4	51%	0.505	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-10.3	-175.4	0	0	0	0	0	115.6	T816 V817 N823	T816-G825 VanDerWaalsContact CG2-C 3.5Å; T816-G825 WeakPolarHBondContact CG2-O 3.4Å; V817-G825 PolarHBondContact O-N 3.32Å; N823-G825 PolarHBondContact O-N 3.17Å
826	R	89.3	Confident	84.1	Confident	80 Å²	80	80 Å²	80	30%	0.302	43%	0.434	S	S	.	.			trans	-73.6	143	173.1	-73.7	-178.4	75.6	-161.4	1	111.3	T816 V817 N823 W844 D846	T816-R826 WeakPolarHBondContact CA-O 3.38Å; V817-R826 WeakPolarHBondContact CG2-O 3.3Å; V817-R826 PolarHBondContact N-O 3.3Å; N823-R826 HydrophobicContact CB-CB 4.49Å; N823-R826 WeakPolarHBondContact O-CB 3.36Å; N823-R826 PolarHBondContact O-N 3.49Å; N823-R826 WeakPolarHBondContact OD1-CD 3.45Å; N823-R826 PolarHBondContact OD1-NH1 3.48Å; R826-W844 HydrophobicContact CB-CE3 4.08Å; R826-W844 HydrophobicContact CB-CH2 4.49Å; R826-W844 HydrophobicContact CB-CZ3 3.65Å; R826-D846 IonicContact CZ-OD2 2.83Å; R826-D846 IonicContact NE-OD2 2.65Å; R826-D846 PolarHBondContact NE-OD2 3.08Å; R826-D846 IonicContact NH2-OD1 2.72Å; R826-D846 PolarHBondContact NH2-OD1 2.57Å; R826-D846 IonicContact NH2-OD2 2.83Å; R826-D846 PolarHBondContact NH2-OD2 2.99Å
827	N	90	Very high	83.5	Confident	69 Å²	69	82.3 Å²	82.3	37%	0.369	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.8	178.6	-67.8	-26.1	0	0	0	111.4	L814 L815 T816 A845	L814-N827 HydrophobicContact CD1-CB 3.91Å; L814-N827 HydrophobicContact CG-CB 4.44Å; L815-N827 CarbonylContact O-C 3.49Å; L815-N827 VanDerWaalsContact O-CA 3.28Å; L815-N827 WeakPolarHBondContact O-CA 3.09Å; T816-N827 PolarHBondContact OG1-OD1 2.82Å; N827-A845 HydrophobicContact CB-CB 3.73Å; N827-A845 WeakPolarHBondContact O-CB 3.41Å; N827-A845 PolarHBondContact O-N 2.89Å
828	F	92	Very high	83.2	Confident	35 Å²	35	85.9 Å²	85.9	15%	0.154	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.1	177.6	67.9	-84	0	0	0	111.1	L815 V817 F842 L843 W844	L815-F828 HydrophobicContact CB-CD1 4.26Å; L815-F828 HydrophobicContact CB-CD2 4.39Å; L815-F828 HydrophobicContact CB-CE1 3.72Å; L815-F828 HydrophobicContact CB-CE2 3.88Å; L815-F828 HydrophobicContact CB-CZ 3.51Å; L815-F828 HydrophobicContact CD1-CE2 3.94Å; L815-F828 HydrophobicContact CD1-CZ 3.92Å; L815-F828 HydrophobicContact CG-CE2 4.47Å; L815-F828 HydrophobicContact CG-CZ 4.37Å; L815-F828 PolarHBondContact N-O 3.21Å; L815-F828 WeakPolarHBondContact O-CD1 2.98Å; L815-F828 PolarHBondContact O-N 3.25Å; V817-F828 HydrophobicContact CG2-CD1 3.73Å; V817-F828 HydrophobicContact CG2-CE1 3.82Å; F828-F842 HydrophobicContact CB-CD2 4.43Å; F828-F842 HydrophobicContact CB-CE2 3.67Å; F828-F842 HydrophobicContact CB-CZ 3.78Å; F828-F842 HydrophobicContact CD1-CE2 4.37Å; F828-F842 AromaticContact CD2-CD2 3.65Å; F828-F842 HydrophobicContact CD2-CD2 3.65Å; F828-F842 AromaticContact CD2-CE2 3.32Å; F828-F842 HydrophobicContact CD2-CE2 3.32Å; F828-F842 HydrophobicContact CD2-CZ 4.3Å; F828-F842 HydrophobicContact CE2-CD2 4.25Å; F828-F842 HydrophobicContact CE2-CE2 4.01Å; F828-F842 HydrophobicContact CG-CD2 4.28Å; F828-F842 AromaticContact CG-CE2 3.53Å; F828-F842 HydrophobicContact CG-CE2 3.53Å; F828-F842 HydrophobicContact CG-CZ 4.1Å; F828-L843 CarbonylContact C-O 3.33Å; F828-L843 WeakPolarHBondContact CA-O 3.41Å; F828-L843 WeakPolarHBondContact CB-O 3.31Å; F828-W844 HydrophobicContact CB-CD2 4.5Å; F828-W844 HydrophobicContact CB-CE3 3.8Å; F828-W844 HydrophobicContact CB-CZ3 4.02Å; F828-W844 HydrophobicContact CD1-CZ3 4.35Å
829	Y	90.7	Very high	83	Confident	57 Å²	57	76.3 Å²	76.3	22%	0.224	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.9	172.5	-65.8	-79.7	0	0	0	110.5	V804 C812 S813 L814 F842 L843 A845	V804-Y829 HydrophobicContact CB-CD1 3.75Å; V804-Y829 HydrophobicContact CB-CD2 4.14Å; V804-Y829 HydrophobicContact CB-CE1 3.96Å; V804-Y829 HydrophobicContact CB-CE2 4.33Å; V804-Y829 HydrophobicContact CB-CG 3.83Å; V804-Y829 HydrophobicContact CG1-CD1 4.18Å; V804-Y829 HydrophobicContact CG1-CD2 4.07Å; V804-Y829 HydrophobicContact CG1-CG 3.78Å; V804-Y829 HydrophobicContact CG2-CD1 4.04Å; V804-Y829 HydrophobicContact CG2-CD2 3.83Å; V804-Y829 HydrophobicContact CG2-CE1 3.84Å; V804-Y829 HydrophobicContact CG2-CE2 3.61Å; V804-Y829 HydrophobicContact CG2-CG 4.03Å; C812-Y829 HydrophobicContact CB-CD1 3.97Å; C812-Y829 HydrophobicContact CB-CG 4.32Å; S813-Y829 WeakPolarHBondContact O-CA 3.34Å; L814-Y829 HydrophobicContact CB-CD1 4.28Å; L814-Y829 HydrophobicContact CB-CE1 4.09Å; L814-Y829 HydrophobicContact CD1-CD1 4.07Å; L814-Y829 HydrophobicContact CD1-CD2 4.37Å; L814-Y829 HydrophobicContact CD1-CE1 3.81Å; L814-Y829 HydrophobicContact CD1-CE2 4.12Å; L814-Y829 HydrophobicContact CD1-CG 4.35Å; L814-Y829 HydrophobicContact CG-CE1 4.47Å; Y829-F842 WeakPolarHBondContact O-CA 3.39Å; Y829-L843 HydrophobicContact CD2-CD2 4.3Å; Y829-L843 PolarHBondContact N-O 3.42Å; Y829-L843 PolarHBondContact O-N 2.98Å; Y829-A845 HydrophobicContact CD2-CB 4.21Å; Y829-A845 HydrophobicContact CE2-CB 3.74Å
830	S	87.9	Confident	82.9	Confident	9 Å²	9	79.8 Å²	79.8	6%	0.063	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.5	172.3	76.8	0	0	0	0	112.4	C812 S813 L815 S832	C812-S830 CarbonylContact C-O 3.59Å; C812-S830 VanDerWaalsContact CA-O 3.3Å; C812-S830 WeakPolarHBondContact CA-O 3.12Å; C812-S830 WeakPolarHBondContact CB-O 3.45Å; S813-S830 PolarHBondContact N-O 3.26Å; S813-S830 PolarHBondContact O-N 3.16Å; L815-S830 WeakPolarHBondContact CD1-OG 3.47Å; S830-S832 PolarHBondContact O-N 3.29Å
831	C	87.7	Confident	83.2	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	40%	0.403	C	S	.	.			trans	-56.3	129.8	177.6	-174.2	0	0	0	0	111.8	C806 K833 R838 C839	C806-C831 HydrophobicContact CB-CB 4.04Å; C831-K833 VanDerWaalsContact C-N 3.29Å; C831-K833 PolarHBondContact O-N 3.36Å; C831-R838 HydrophobicContact CB-CB 3.98Å; C831-R838 HydrophobicContact CB-CG 4.02Å; C831-R838 VanDerWaalsContact O-CD 3.28Å; C831-R838 WeakPolarHBondContact O-CD 3.37Å; C831-R838 WeakPolarHBondContact O-CG 3.26Å; C831-R838 PolarHBondContact O-NE 2.72Å; C831-R838 VanDerWaalsContact O-NE 3.12Å; C831-C839 VanDerWaalsContact SG-SG 3.68Å
832	S	86.9	Confident	83.7	Confident	50 Å²	50	77.8 Å²	77.8	35%	0.35	41%	0.406	S	S	.	.			trans	-76.1	-8.3	-176.4	35	0	0	0	0	114.7	E811 S813 S830	E811-S832 WeakPolarHBondContact O-CB 3.39Å; E811-S832 PolarHBondContact O-OG 2.67Å; S813-S832 WeakPolarHBondContact OG-CA 3.48Å; S813-S832 WeakPolarHBondContact OG-CB 3.48Å; S830-S832 PolarHBondContact O-N 3.29Å
833	K	84.9	Confident	84	Confident	74 Å²	74	74.3 Å²	74.3	32%	0.322	38%	0.38	S	S	.	.	S	Bend	trans	-64.7	163.8	174.6	-69.5	-170.6	170.8	-164	0	112.7	L810 C831 E837 R838	L810-K833 HydrophobicContact CD1-CD 4.13Å; L810-K833 HydrophobicContact CD1-CG 3.61Å; C831-K833 VanDerWaalsContact C-N 3.29Å; C831-K833 PolarHBondContact O-N 3.36Å; K833-E837 HydrophobicContact CB-CB 4.06Å; K833-E837 HydrophobicContact CD-CB 3.91Å; K833-E837 VanDerWaalsContact CD-O 3.26Å; K833-E837 WeakPolarHBondContact CD-O 3.14Å; K833-R838 HydrophobicContact CB-CG 4.29Å; K833-R838 WeakPolarHBondContact O-CG 3.44Å; K833-R838 PolarHBondContact O-NE 3.35Å
834	A	79.5	Confident	84.3	Confident	53 Å²	53	74.2 Å²	74.2	44%	0.438	38%	0.375	S	S	.	.			trans	-57.7	150.1	171.1	0	0	0	0	0	111.1	S836 E837 R838	A834-S836 PolarHBondContact O-N 3.37Å; A834-E837 PolarHBondContact O-N 3.06Å; A834-R838 WeakPolarHBondContact O-CG 3.4Å; A834-R838 PolarHBondContact O-N 3.09Å; A834-R838 VanDerWaalsContact O-N 3.13Å
835	P	75.5	Confident	83.9	Confident	113 Å²	113	70.5 Å²	70.5	73%	0.734	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-29.4	-173.1	-28.9	35.3	0	0	0	115.8	E837	P835-E837 VanDerWaalsContact C-N 3.34Å
836	S	75.3	Confident	83.5	Confident	111 Å²	111	72.9 Å²	72.9	78%	0.776	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.3	176.4	49.1	0	0	0	0	114.4	A834	A834-S836 PolarHBondContact O-N 3.37Å
837	E	77.5	Confident	81.7	Confident	118 Å²	118	73.3 Å²	73.3	55%	0.551	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	0.1	-173.7	-61	-176.8	-172.4	0	0	113.7	K833 A834 P835 C839	K833-E837 HydrophobicContact CB-CB 4.06Å; K833-E837 HydrophobicContact CD-CB 3.91Å; K833-E837 VanDerWaalsContact CD-O 3.26Å; K833-E837 WeakPolarHBondContact CD-O 3.14Å; A834-E837 PolarHBondContact O-N 3.06Å; P835-E837 VanDerWaalsContact C-N 3.34Å; E837-C839 PolarHBondContact O-N 2.93Å
838	R	82.3	Confident	79.1	Confident	106 Å²	106	74.2 Å²	74.2	40%	0.4	39%	0.387	S	S	.	.			trans	-61.9	131.3	178.5	-74.6	-174.3	-173.6	-173.3	-1.7	110.6	C831 K833 A834	C831-R838 HydrophobicContact CB-CB 3.98Å; C831-R838 HydrophobicContact CB-CG 4.02Å; C831-R838 VanDerWaalsContact O-CD 3.28Å; C831-R838 WeakPolarHBondContact O-CD 3.37Å; C831-R838 WeakPolarHBondContact O-CG 3.26Å; C831-R838 PolarHBondContact O-NE 2.72Å; C831-R838 VanDerWaalsContact O-NE 3.12Å; K833-R838 HydrophobicContact CB-CG 4.29Å; K833-R838 WeakPolarHBondContact O-CG 3.44Å; K833-R838 PolarHBondContact O-NE 3.35Å; A834-R838 WeakPolarHBondContact O-CG 3.4Å; A834-R838 PolarHBondContact O-N 3.09Å; A834-R838 VanDerWaalsContact O-N 3.13Å
839	C	79.3	Confident	76.2	Confident	28 Å²	28	75 Å²	75	19%	0.189	41%	0.405	C	S	.	.			trans	-68.2	164.5	159.6	68.5	0	0	0	0	110.3	C806 N807 C808 C831 E837 F841	C806-C839 VanDerWaalsContact CB-SG 3.59Å; N807-C839 HydrophobicContact CB-CB 3.99Å; N807-C839 PolarHBondContact N-SG 3.03Å; N807-C839 VanDerWaalsContact N-SG 3.42Å; C808-C839 VanDerWaalsContact SG-CB 3.54Å; C831-C839 VanDerWaalsContact SG-SG 3.68Å; E837-C839 PolarHBondContact O-N 2.93Å; C839-F841 PolarHBondContact O-N 3.19Å; C839-F841 VanDerWaalsContact O-N 3.1Å
840	R	78.5	Confident	73.4	Confident	247 Å²	247	80.1 Å²	80.1	93%	0.932	44%	0.436	S	S	*	.	S	Bend	trans	-80.1	19.7	-176.1	-62.9	-174.9	178.2	169.4	0.4	114.5
841	F	82.2	Confident	70.7	Confident	44 Å²	44	86.2 Å²	86.2	19%	0.193	46%	0.462	C	S	.	.			trans	-68.1	131.9	-179.9	-178.3	-88.1	0	0	0	111.5	V804 M805 C806 C812 C839 L843	V804-F841 HydrophobicContact CG1-CE1 3.71Å; V804-F841 HydrophobicContact CG1-CZ 3.57Å; M805-F841 VanDerWaalsContact O-CE2 3.3Å; M805-F841 WeakPolarHBondContact O-CE2 3.33Å; M805-F841 WeakPolarHBondContact O-CZ 2.98Å; C806-F841 HydrophobicContact CB-CB 3.69Å; C806-F841 HydrophobicContact CB-CD1 3.99Å; C806-F841 HydrophobicContact CB-CD2 4.49Å; C806-F841 HydrophobicContact CB-CG 3.8Å; C812-F841 HydrophobicContact CB-CE1 4.43Å; C812-F841 WeakPolarHBondContact SG-CD1 3.18Å; C812-F841 WeakPolarHBondContact SG-CE1 3.49Å; C839-F841 PolarHBondContact O-N 3.19Å; C839-F841 VanDerWaalsContact O-N 3.1Å; F841-L843 HydrophobicContact CE1-CB 4.07Å; F841-L843 HydrophobicContact CZ-CB 4.03Å
842	F	88.4	Confident	68	Low	99 Å²	99	92 Å²	92	43%	0.434	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.9	176.7	178.4	-85.9	0	0	0	109.9	F828 Y829 W844	F828-F842 HydrophobicContact CB-CD2 4.43Å; F828-F842 HydrophobicContact CB-CE2 3.67Å; F828-F842 HydrophobicContact CB-CZ 3.78Å; F828-F842 HydrophobicContact CD1-CE2 4.37Å; F828-F842 AromaticContact CD2-CD2 3.65Å; F828-F842 HydrophobicContact CD2-CD2 3.65Å; F828-F842 AromaticContact CD2-CE2 3.32Å; F828-F842 HydrophobicContact CD2-CE2 3.32Å; F828-F842 HydrophobicContact CD2-CZ 4.3Å; F828-F842 HydrophobicContact CE2-CD2 4.25Å; F828-F842 HydrophobicContact CE2-CE2 4.01Å; F828-F842 HydrophobicContact CG-CD2 4.28Å; F828-F842 AromaticContact CG-CE2 3.53Å; F828-F842 HydrophobicContact CG-CE2 3.53Å; F828-F842 HydrophobicContact CG-CZ 4.1Å; Y829-F842 WeakPolarHBondContact O-CA 3.39Å; F842-W844 AromaticContact CE1-CD1 3.94Å; F842-W844 AromaticContact CE1-CD2 4Å; F842-W844 HydrophobicContact CE1-CD2 4Å; F842-W844 AromaticContact CE1-CE2 3.66Å; F842-W844 HydrophobicContact CE1-CG 4.17Å; F842-W844 HydrophobicContact CE1-CZ2 4.1Å; F842-W844 AromaticContact CE1-NE1 3.62Å; F842-W844 AromaticContact CZ-CD2 3.85Å; F842-W844 HydrophobicContact CZ-CD2 3.85Å; F842-W844 AromaticContact CZ-CE2 3.56Å; F842-W844 HydrophobicContact CZ-CE3 4.16Å; F842-W844 HydrophobicContact CZ-CG 4.47Å; F842-W844 AromaticContact CZ-CH2 3.91Å; F842-W844 HydrophobicContact CZ-CH2 3.91Å; F842-W844 AromaticContact CZ-CZ2 3.61Å; F842-W844 HydrophobicContact CZ-CZ2 3.61Å; F842-W844 HydrophobicContact CZ-CZ3 4.18Å
843	L	80.4	Confident	65.3	Low	44 Å²	44	101.5 Å²	101.5	23%	0.23	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	135.3	175.5	-178.3	70.1	0	0	0	109.7	V804 F828 Y829 F841 I847	V804-L843 HydrophobicContact CG1-CD2 3.88Å; V804-L843 HydrophobicContact CG2-CD2 4.44Å; F828-L843 CarbonylContact C-O 3.33Å; F828-L843 WeakPolarHBondContact CA-O 3.41Å; F828-L843 WeakPolarHBondContact CB-O 3.31Å; Y829-L843 HydrophobicContact CD2-CD2 4.3Å; Y829-L843 PolarHBondContact N-O 3.42Å; Y829-L843 PolarHBondContact O-N 2.98Å; F841-L843 HydrophobicContact CE1-CB 4.07Å; F841-L843 HydrophobicContact CZ-CB 4.03Å; L843-I847 HydrophobicContact CD1-CD1 4.07Å
844	W	88.5	Confident	62.6	Low	57 Å²	57	106.2 Å²	106.2	22%	0.216	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.7	172.1	-67.8	111	0	0	0	110.8	V817 N823 R826 F828 F842 D846 I847	V817-W844 HydrophobicContact CG2-CH2 3.73Å; V817-W844 HydrophobicContact CG2-CZ3 3.68Å; N823-W844 HydrophobicContact CB-CH2 3.88Å; R826-W844 HydrophobicContact CB-CE3 4.08Å; R826-W844 HydrophobicContact CB-CH2 4.49Å; R826-W844 HydrophobicContact CB-CZ3 3.65Å; F828-W844 HydrophobicContact CB-CD2 4.5Å; F828-W844 HydrophobicContact CB-CE3 3.8Å; F828-W844 HydrophobicContact CB-CZ3 4.02Å; F828-W844 HydrophobicContact CD1-CZ3 4.35Å; F842-W844 AromaticContact CE1-CD1 3.94Å; F842-W844 AromaticContact CE1-CD2 4Å; F842-W844 HydrophobicContact CE1-CD2 4Å; F842-W844 AromaticContact CE1-CE2 3.66Å; F842-W844 HydrophobicContact CE1-CG 4.17Å; F842-W844 HydrophobicContact CE1-CZ2 4.1Å; F842-W844 AromaticContact CE1-NE1 3.62Å; F842-W844 AromaticContact CZ-CD2 3.85Å; F842-W844 HydrophobicContact CZ-CD2 3.85Å; F842-W844 AromaticContact CZ-CE2 3.56Å; F842-W844 HydrophobicContact CZ-CE3 4.16Å; F842-W844 HydrophobicContact CZ-CG 4.47Å; F842-W844 AromaticContact CZ-CH2 3.91Å; F842-W844 HydrophobicContact CZ-CH2 3.91Å; F842-W844 AromaticContact CZ-CZ2 3.61Å; F842-W844 HydrophobicContact CZ-CZ2 3.61Å; F842-W844 HydrophobicContact CZ-CZ3 4.18Å; W844-D846 WeakPolarHBondContact CB-OD1 3.28Å; W844-D846 PolarHBondContact O-N 3.17Å; W844-I847 HydrophobicContact CB-CD1 4.34Å; W844-I847 HydrophobicContact CB-CG1 4.45Å
845	A	79.7	Confident	60.2	Low	37 Å²	37	106.8 Å²	106.8	31%	0.306	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.5	-174.6	0	0	0	0	0	114.4	L814 N827 Y829	L814-A845 HydrophobicContact CD1-CB 3.56Å; N827-A845 HydrophobicContact CB-CB 3.73Å; N827-A845 WeakPolarHBondContact O-CB 3.41Å; N827-A845 PolarHBondContact O-N 2.89Å; Y829-A845 HydrophobicContact CD2-CB 4.21Å; Y829-A845 HydrophobicContact CE2-CB 3.74Å
846	D	78.1	Confident	58	Low	98 Å²	98	106.4 Å²	106.4	52%	0.524	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.9	8.1	-179.6	53	7	0	0	0	113.7	R826 W844	R826-D846 IonicContact CZ-OD2 2.83Å; R826-D846 IonicContact NE-OD2 2.65Å; R826-D846 PolarHBondContact NE-OD2 3.08Å; R826-D846 IonicContact NH2-OD1 2.72Å; R826-D846 PolarHBondContact NH2-OD1 2.57Å; R826-D846 IonicContact NH2-OD2 2.83Å; R826-D846 PolarHBondContact NH2-OD2 2.99Å; W844-D846 WeakPolarHBondContact CB-OD1 3.28Å; W844-D846 PolarHBondContact O-N 3.17Å
847	I	49.5	Very low	55.7	Low	89 Å²	89	105.4 Å²	105.4	46%	0.456	55%	0.552	S	S	.	*	S	Bend	trans	-94.3	106.1	174	-55.8	175	0	0	0	108.6	L843 W844	L843-I847 HydrophobicContact CD1-CD1 4.07Å; W844-I847 HydrophobicContact CB-CD1 4.34Å; W844-I847 HydrophobicContact CB-CG1 4.45Å
848	S	36.2	Very low	53.2	Low	89 Å²	89	105.6 Å²	105.6	62%	0.622	56%	0.557	S	S	*	*			trans	-72.6	152.4	-176.7	32.2	0	0	0	0	114.2	D850	S848-D850 VanDerWaalsContact C-N 3.28Å; S848-D850 PolarHBondContact O-N 2.74Å
849	G	32.3	Very low	50.6	Low	52 Å²	52	105.2 Å²	105.2	54%	0.536	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-64.4	0.1	-156.5	0	0	0	0	0	120
850	D	30.6	Very low	48	Very low	164 Å²	164	106.2 Å²	106.2	88%	0.877	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-91.3	-8.5	-179.6	-68.9	-31.5	0	0	0	113.8	S848	S848-D850 VanDerWaalsContact C-N 3.28Å; S848-D850 PolarHBondContact O-N 2.74Å
851	F	31.7	Very low	45.6	Very low	137 Å²	137	97.6 Å²	97.6	60%	0.601	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-91.1	8.2	176.1	-73.4	-81.6	0	0	0	114.3	R853	F851-R853 PolarHBondContact O-N 2.97Å
852	I	31.2	Very low	43.1	Very low	123 Å²	123	100.1 Å²	100.1	63%	0.631	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	8.9	-168.6	-63.6	-172.4	0	0	0	114.2
853	R	30.5	Very low	40.1	Very low	248 Å²	248	99 Å²	99	94%	0.936	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-12.3	175.9	-88.8	-177.4	150.9	-169.3	-5.7	116.7	F851	F851-R853 PolarHBondContact O-N 2.97Å
854	E	27.9	Very low	37.7	Very low	173 Å²	173	101 Å²	101	81%	0.808	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	-16.3	-178	-79.4	-179.7	148	0	0	114.9	A856	E854-A856 PolarHBondContact O-N 3.02Å
855	A	27.8	Very low	34.8	Very low	66 Å²	66	109.8 Å²	109.8	55%	0.545	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-2.8	-176.3	0	0	0	0	0	115.4
856	A	29.5	Very low	32.3	Very low	104 Å²	104	114.8 Å²	114.8	86%	0.86	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-3.4	-178.2	0	0	0	0	0	114.3	E854	E854-A856 PolarHBondContact O-N 3.02Å
857	A	27.9	Very low	29.7	Very low	90 Å²	90	115 Å²	115	74%	0.744	69%	0.694	S	S	*	*	S	Bend	trans	-109.9	-14.2	177.1	0	0	0	0	0	114.2
858	D	25.4	Very low	28.6	Very low	123 Å²	123	118.2 Å²	118.2	66%	0.658	71%	0.71	S	S	*	*			trans	-134.4	78.2	-173.9	-89.4	-38.6	0	0	0	112.3
859	A	27.6	Very low	28.1	Very low	97 Å²	97	117.8 Å²	117.8	80%	0.802	71%	0.713	S	S	*	*			trans	-130.5	56.1	167.7	0	0	0	0	0	110.9
860	G	24	Very low	27.8	Very low	50 Å²	50	121.8 Å²	121.8	52%	0.515	73%	0.729	S	S	.	*			trans	-121.3	44	170.7	0	0	0	0	0	112.4
861	S	27.3	Very low	27.7	Very low	65 Å²	65	119 Å²	119	46%	0.455	73%	0.728	S	S	.	*			trans	-157.2	87.8	171.2	-159.6	0	0	0	0	113.3	I386 G863	I386-S861 VanDerWaalsContact CD1-CA 3.44Å; S861-G863 PolarHBondContact O-N 3.03Å; S861-G863 VanDerWaalsContact O-N 3.13Å
862	S	30.6	Very low	27.6	Very low	98 Å²	98	117.2 Å²	117.2	69%	0.685	74%	0.739	S	S	*	*			trans	-63	86	160.5	51.6	0	0	0	0	114.9	I386 A864	I386-S862 WeakPolarHBondContact CD1-O 3.29Å; I386-S862 WeakPolarHBondContact CD1-OG 3.4Å; S862-A864 PolarHBondContact O-N 3.34Å
863	G	26	Very low	27.3	Very low	74 Å²	74	118 Å²	118	76%	0.763	75%	0.75	S	S	*	*			trans	-61.4	115.5	164.7	0	0	0	0	0	111.9	S861	S861-G863 PolarHBondContact O-N 3.03Å; S861-G863 VanDerWaalsContact O-N 3.13Å
864	A	29.9	Very low	27.4	Very low	88 Å²	88	111.4 Å²	111.4	73%	0.727	75%	0.748	S	S	*	*			trans	-84.4	111.9	163.9	0	0	0	0	0	108.9	S862	S862-A864 PolarHBondContact O-N 3.34Å
865	R	26.5	Very low	27.5	Very low	241 Å²	241	106.2 Å²	106.2	91%	0.909	74%	0.741	S	S	*	*			trans	-81.3	111.8	163.3	-75.7	-176.1	177.4	175.9	0	108.1
866	I	27.5	Very low	27.4	Very low	141 Å²	141	112.3 Å²	112.3	72%	0.723	76%	0.756	S	S	*	*			trans	-85.9	121.1	163.1	-65.2	175.5	0	0	0	107.1	I868	I866-I868 HydrophobicContact CG2-CG1 4.28Å
867	S	24.8	Very low	27.3	Very low	103 Å²	103	114.1 Å²	114.1	72%	0.72	75%	0.751	S	S	*	*			trans	-76.6	122.6	167	-51.8	0	0	0	0	108.7
868	I	25.6	Very low	27.1	Very low	156 Å²	156	118 Å²	118	80%	0.8	75%	0.751	S	S	*	*			trans	-104.4	120.5	168.3	-65.8	175.9	0	0	0	107.2	I866	I866-I868 HydrophobicContact CG2-CG1 4.28Å
869	A	25.6	Very low	27.2	Very low	81 Å²	81	120.6 Å²	120.6	67%	0.669	76%	0.757	S	S	*	*			trans	-76.1	153.4	165	0	0	0	0	0	109.8
870	P	24.9	Very low	27.5	Very low	136 Å²	136	121 Å²	121	88%	0.883	75%	0.752	S	S	*	*			trans	-78.9	131.4	-173.6	32.6	-31	0	0	0	110.4
871	A	29.5	Very low	27.7	Very low	104 Å²	104	124 Å²	124	86%	0.86	76%	0.764	S	S	*	*			trans	-121.7	136.6	166.8	0	0	0	0	0	109.4
872	A	29.7	Very low	27.8	Very low	100 Å²	100	127.2 Å²	127.2	83%	0.826	78%	0.781	S	S	*	*			trans	-71.5	158.3	-164.3	0	0	0	0	0	114.9
873	T	25.2	Very low	27.7	Very low	141 Å²	141	128.9 Å²	128.9	87%	0.865	79%	0.787	S	S	*	*			trans	-48.3	131.9	167	43.5	0	0	0	0	115.5
874	A	32.2	Very low	27.6	Very low	108 Å²	108	136.1 Å²	136.1	89%	0.893	79%	0.791	S	S	*	*			trans	-162.9	132.6	140.6	0	0	0	0	0	108.6
875	G	29.4	Very low	27.8	Very low	64 Å²	64	137.6 Å²	137.6	66%	0.66	79%	0.794	S	S	*	*			trans	-107.5	175.8	-161.5	0	0	0	0	0	117.5
876	F	25.7	Very low	27.9	Very low	194 Å²	194	131.2 Å²	131.2	85%	0.851	79%	0.786	S	S	*	*			trans	75.4	117.5	142.8	-69.3	-76.3	0	0	0	122.6
877	N	28.3	Very low	28.3	Very low	143 Å²	143	130 Å²	130	77%	0.765	79%	0.787	S	S	*	*			trans	91.7	118.1	130.8	-69.6	-14.5	0	0	0	122.6
878	F	24.2	Very low	28.5	Very low	171 Å²	171	130.1 Å²	130.1	75%	0.75	79%	0.788	S	S	*	*			trans	-47.2	156.1	156.7	-83.5	-93.2	0	0	0	114
879	F	27.2	Very low	28.8	Very low	178 Å²	178	128 Å²	128	78%	0.781	79%	0.787	S	S	*	*			cis	-171.2	-172.7	39.2	-118.2	-47	0	0	0	109.4
880	P	33.9	Very low	29.2	Very low	105 Å²	105	129 Å²	129	68%	0.682	80%	0.795	S	S	*	*				-125.6	179	-127	45.1	-28.7	0	0	0	119.3
881	S	26.5	Very low	29.5	Very low	112 Å²	112	132 Å²	132	78%	0.783	79%	0.794	S	S	*	*			trans	84.5	124.6	151.4	-71.3	0	0	0	0	122
882	V	29.8	Very low	29.5	Very low	133 Å²	133	138.1 Å²	138.1	81%	0.806	80%	0.795	S	S	*	*				158.7	115.5	119.3	165.6	0	0	0	0	112.9
883	V	29.2	Very low	29.7	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	79%	0.785	S	S	*	*			trans	54.6	117.7	137.6	-170.6	0	0	0	0	124.1
884	R	24.2	Very low	29.8	Very low	226 Å²	226	140.1 Å²	140.1	85%	0.853	78%	0.783	S	S	*	*			trans	-8.9	172.2	145.4	-85	-178.3	176.8	-162.6	-0.1	121.8
885	P	34.1	Very low	29.8	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	78%	0.784	S	S	*	*			cis	-141.2	179.5	13	27	-0	0	0	0	118.9
886	S	28.3	Very low	29.8	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	79%	0.792	S	S	*	*			trans	-59.6	177.5	-176.6	-31	0	0	0	0	118.9
887	P	35.7	Very low	30.2	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	79%	0.792	S	S	*	*				-154.2	158.1	74.7	38.9	-16.9	0	0	0	120.5
888	S	29.6	Very low	30.6	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	80%	0.796	S	S	*	*			trans	30.6	136.6	145.8	69.1	0	0	0	0	121.7
889	S	31.7	Very low	31.1	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	80%	0.796	S	S	*	*			cis	-176.9	147.9	50	-47.9	0	0	0	0	107
890	A	34.2	Very low	31.8	Very low	101 Å²	101	134.5 Å²	134.5	84%	0.835	79%	0.792	S	S	*	*				175	156	76.4	0	0	0	0	0	111.2
891	K	30.3	Very low	32.3	Very low	201 Å²	201	139.6 Å²	139.6	87%	0.874	80%	0.804	S	S	*	*			trans	-65	163	178.8	-57.6	165.2	173.6	169.2	0	111.2
892	R	29.4	Very low	33.7	Very low	231 Å²	231	143.4 Å²	143.4	87%	0.872	80%	0.801	S	S	*	*			cis	177.2	-173.6	32.5	-143.5	-169.1	168.5	-155.7	-0.4	107.1
893	P	34.6	Very low	35.2	Very low	94 Å²	94	148.4 Å²	148.4	61%	0.61	81%	0.805	S	S	*	*				-129.2	171.9	-83	40.6	-22.4	0	0	0	117.9
894	K	27.4	Very low	37.8	Very low	190 Å²	190	148.5 Å²	148.5	83%	0.826	80%	0.795	S	S	*	*			trans	56.7	114.3	144.2	-76	179.8	-179.3	-175.6	0	121
895	T	33.1	Very low	40.7	Very low	149 Å²	149	138 Å²	138	91%	0.914	76%	0.756	S	S	*	*				-140.4	138.1	127.7	45.8	0	0	0	0	110.6
896	T	29.3	Very low	43	Very low	137 Å²	137	135.6 Å²	135.6	84%	0.84	75%	0.753	S	S	*	*			trans	-96	134.2	-173.2	42.8	0	0	0	0	111.3
897	A	34	Very low	45.8	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	74%	0.737	S	S	*	*			trans	-154.4	132.9	159.5	0	0	0	0	0	113.1
898	A	35.2	Very low	48.4	Very low	105 Å²	105	130 Å²	130	87%	0.868	71%	0.709	S	S	*	*			trans	68.8	91.3	154.7	0	0	0	0	0	120.1
899	N	35.5	Very low	51.1	Low	140 Å²	140	134.5 Å²	134.5	75%	0.749	71%	0.71	S	S	*	*			trans	-82.1	130.2	168.7	-163.7	6.7	0	0	0	110.9	K901	N899-K901 PolarHBondContact O-N 2.95Å
900	P	42.1	Very low	53.8	Low	107 Å²	107	134.9 Å²	134.9	70%	0.695	70%	0.699	S	S	*	*			trans	-76.9	123.3	171.9	28.8	-29.4	0	0	0	110.3	R902	P900-R902 PolarHBondContact O-N 2.98Å
901	K	43.9	Very low	56.3	Low	212 Å²	212	135 Å²	135	92%	0.922	68%	0.683	S	S	*	*			trans	-46	111.6	-178.7	-71.8	179.1	178.3	176.7	0	112	N899	N899-K901 PolarHBondContact O-N 2.95Å
902	R	56	Low	58.8	Low	193 Å²	193	129.4 Å²	129.4	73%	0.728	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-73.1	139.6	170.2	-67.9	-176.2	176.6	-132.4	-0.8	109.5	P900	P900-R902 PolarHBondContact O-N 2.98Å
903	R	60.4	Low	61.6	Low	237 Å²	237	120.3 Å²	120.3	89%	0.894	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-69.9	131.6	-178	-77.8	-177.7	177.8	172.6	-0.2	110.7
904	K	84.7	Confident	64.1	Low	137 Å²	137	119.8 Å²	119.8	60%	0.596	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-84	148.4	173	-69.9	176.5	176.6	-167.2	0	111	R909 E911	K904-R909 WeakPolarHBondContact CB-O 3.4Å; K904-R909 WeakPolarHBondContact CD-O 3.46Å; K904-R909 WeakPolarHBondContact CG-O 3.3Å; K904-E911 WeakPolarHBondContact CE-OE1 3.49Å; K904-E911 HydrophobicContact CG-CG 3.69Å
905	C	85.7	Confident	66.9	Low	4 Å²	4	112.7 Å²	112.7	3%	0.027	62%	0.621	C	S	.	*	P	Polyproline II helix	trans	-57.5	135.7	175.1	176.4	0	0	0	0	111.4	I907 R909 Q910 H913 C918	C905-I907 PolarHBondContact O-N 2.07Å; C905-R909 WeakPolarHBondContact O-CA 3.25Å; C905-R909 PolarHBondContact O-N 3.14Å; C905-Q910 VanDerWaalsContact CB-O 3.26Å; C905-Q910 WeakPolarHBondContact CB-O 3.32Å; C905-Q910 PolarHBondContact N-O 3.04Å; C905-H913 WeakPolarHBondContact CB-NE2 3.38Å; C905-H913 PolarHBondContact SG-CD2 3.13Å; C905-H913 PolarHBondContact SG-NE2 3.05Å; C905-C918 VanDerWaalsContact SG-SG 3.69Å
906	G	81	Confident	69.2	Low	69 Å²	69	114.2 Å²	114.2	71%	0.711	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-12	-178.4	0	0	0	0	0	115.5
907	I	87.3	Confident	71.8	Confident	80 Å²	80	112 Å²	112	41%	0.41	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.8	-66.1	178.8	-61.2	174.7	0	0	0	109.5	C905 A915 C918 K921	C905-I907 PolarHBondContact O-N 2.07Å; I907-A915 HydrophobicContact CD1-CB 4.18Å; I907-A915 WeakPolarHBondContact CD1-O 3.36Å; I907-A915 HydrophobicContact CG1-CB 4.03Å; I907-C918 HydrophobicContact CB-CB 4.25Å; I907-C918 HydrophobicContact CD1-CB 4.05Å; I907-K921 HydrophobicContact CD1-CB 4.19Å; I907-K921 HydrophobicContact CD1-CD 4.48Å; I907-K921 HydrophobicContact CD1-CG 4.1Å
908	C	91	Very high	74.2	Confident	24 Å²	24	107.6 Å²	107.6	16%	0.162	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92.4	-2.8	-174.2	73.3	0	0	0	0	115	Q910 H913 C918 Q920	C908-Q910 PolarHBondContact O-N 3.13Å; C908-Q910 PolarHBondContact SG-N 3.32Å; C908-H913 PolarHBondContact SG-CE1 3.44Å; C908-H913 PolarHBondContact SG-NE2 3.24Å; C908-C918 VanDerWaalsContact SG-SG 3.66Å; C908-Q920 HydrophobicContact CB-CG 4.42Å
909	R	87.5	Confident	76.4	Confident	201 Å²	201	107.4 Å²	107.4	76%	0.758	56%	0.555	S	S	*	*			trans	58.7	13.9	-177.4	-55.7	-173	178.1	-176	0.8	116	K904 C905	K904-R909 WeakPolarHBondContact CB-O 3.4Å; K904-R909 WeakPolarHBondContact CD-O 3.46Å; K904-R909 WeakPolarHBondContact CG-O 3.3Å; C905-R909 WeakPolarHBondContact O-CA 3.25Å; C905-R909 PolarHBondContact O-N 3.14Å
910	Q	87.2	Confident	78.5	Confident	119 Å²	119	105.9 Å²	105.9	56%	0.556	54%	0.543	S	S	*	.			trans	-86.8	152.3	172.8	-63.4	-176.5	-10.7	0	0	112	C905 C908	C905-Q910 VanDerWaalsContact CB-O 3.26Å; C905-Q910 WeakPolarHBondContact CB-O 3.32Å; C905-Q910 PolarHBondContact N-O 3.04Å; C908-Q910 PolarHBondContact O-N 3.13Å; C908-Q910 PolarHBondContact SG-N 3.32Å
911	E	87.6	Confident	80.1	Confident	104 Å²	104	106.3 Å²	106.3	49%	0.486	53%	0.534	S	S	.	.	S	Bend	trans	-80.5	161.9	174.1	-62.6	-177.3	-171.4	0	0	110.7	K904	K904-E911 WeakPolarHBondContact CE-OE1 3.49Å; K904-E911 HydrophobicContact CG-CG 3.69Å
912	G	82.6	Confident	80.7	Confident	83 Å²	83	100.9 Å²	100.9	86%	0.856	53%	0.528	S	S	*	.	S	Bend	trans	96.6	-4.9	174.9	0	0	0	0	0	116.3
913	H	87.1	Confident	80.4	Confident	41 Å²	41	98 Å²	98	19%	0.19	53%	0.532	C	S	.	.	S	Bend	trans	-155.2	168.8	174.5	65.3	-88	0	0	0	112.2	C905 C908 C918	C905-H913 WeakPolarHBondContact CB-NE2 3.38Å; C905-H913 PolarHBondContact SG-CD2 3.13Å; C905-H913 PolarHBondContact SG-NE2 3.05Å; C908-H913 PolarHBondContact SG-CE1 3.44Å; C908-H913 PolarHBondContact SG-NE2 3.24Å; H913-C918 VanDerWaalsContact CD2-CA 3.45Å; H913-C918 WeakPolarHBondContact CD2-CA 3.47Å; H913-C918 PolarHBondContact NE2-SG 2.77Å; H913-C918 VanDerWaalsContact NE2-SG 3.41Å
914	T	87	Confident	79.7	Confident	82 Å²	82	94 Å²	94	50%	0.503	55%	0.549	S	S	.	.			trans	-103.2	166.8	179	70.5	0	0	0	0	111.4	K916 T917 C918	T914-K916 PolarHBondContact O-N 2.99Å; T914-K916 PolarHBondContact OG1-N 3.49Å; T914-T917 PolarHBondContact N-OG1 3.21Å; T914-T917 VanDerWaalsContact N-OG1 3.12Å; T914-T917 CarbonylContact O-C 3.58Å; T914-T917 PolarHBondContact O-N 2.91Å; T914-T917 PolarHBondContact O-OG1 3.14Å; T914-T917 PolarHBondContact OG1-OG1 2.86Å; T914-C918 PolarHBondContact O-N 2.75Å; T914-C918 VanDerWaalsContact O-N 3.13Å
915	A	86.3	Confident	79.4	Confident	42 Å²	42	91.8 Å²	91.8	35%	0.347	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-55.3	-25.4	173.4	0	0	0	0	0	113.2	I907	I907-A915 HydrophobicContact CD1-CB 4.18Å; I907-A915 WeakPolarHBondContact CD1-O 3.36Å; I907-A915 HydrophobicContact CG1-CB 4.03Å
916	K	81.6	Confident	79.1	Confident	180 Å²	180	96.4 Å²	96.4	78%	0.783	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-72.8	-30.1	175.6	-89.3	-173.6	174.6	-175.8	0	113.5	T914	T914-K916 PolarHBondContact O-N 2.99Å; T914-K916 PolarHBondContact OG1-N 3.49Å
917	T	83.8	Confident	79	Confident	92 Å²	92	97.9 Å²	97.9	56%	0.564	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-112.6	22.3	-175.3	58.2	0	0	0	0	111.5	T914 P919	T914-T917 PolarHBondContact N-OG1 3.21Å; T914-T917 VanDerWaalsContact N-OG1 3.12Å; T914-T917 CarbonylContact O-C 3.58Å; T914-T917 PolarHBondContact O-N 2.91Å; T914-T917 PolarHBondContact O-OG1 3.14Å; T914-T917 PolarHBondContact OG1-OG1 2.86Å; T917-P919 WeakPolarHBondContact O-CD 3.21Å
918	C	84.2	Confident	78.5	Confident	8 Å²	8	99 Å²	99	5%	0.054	58%	0.576	C	S	.	*			trans	-75	123.3	-179.1	-170.6	0	0	0	0	110.1	C905 I907 C908 H913 T914 Q920 K921	C905-C918 VanDerWaalsContact SG-SG 3.69Å; I907-C918 HydrophobicContact CB-CB 4.25Å; I907-C918 HydrophobicContact CD1-CB 4.05Å; C908-C918 VanDerWaalsContact SG-SG 3.66Å; H913-C918 VanDerWaalsContact CD2-CA 3.45Å; H913-C918 WeakPolarHBondContact CD2-CA 3.47Å; H913-C918 PolarHBondContact NE2-SG 2.77Å; H913-C918 VanDerWaalsContact NE2-SG 3.41Å; T914-C918 PolarHBondContact O-N 2.75Å; T914-C918 VanDerWaalsContact O-N 3.13Å; C918-Q920 PolarHBondContact O-N 2.68Å; C918-Q920 VanDerWaalsContact O-N 3.17Å; C918-K921 HydrophobicContact CB-CB 4.34Å; C918-K921 WeakPolarHBondContact O-CB 3.32Å; C918-K921 PolarHBondContact O-N 2.86Å
919	P	81.1	Confident	77.7	Confident	101 Å²	101	103.7 Å²	103.7	66%	0.656	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-62.6	-21.8	177.6	22.1	-30.1	0	0	0	112.7	T917 K921	T917-P919 WeakPolarHBondContact O-CD 3.21Å; P919-K921 VanDerWaalsContact C-N 3.28Å; P919-K921 PolarHBondContact O-N 2.8Å
920	Q	79.9	Confident	77	Confident	107 Å²	107	97.2 Å²	97.2	50%	0.5	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-80.3	-3.4	174.1	-65.4	-177	-15.5	0	0	114	C908 C918 A922 V923	C908-Q920 HydrophobicContact CB-CG 4.42Å; C918-Q920 PolarHBondContact O-N 2.68Å; C918-Q920 VanDerWaalsContact O-N 3.17Å; Q920-A922 PolarHBondContact O-N 3.47Å; Q920-V923 PolarHBondContact O-N 3.33Å
921	K	76.8	Confident	76.3	Confident	117 Å²	117	95.6 Å²	95.6	51%	0.509	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-69.3	-18.3	180	-167.4	-178.1	175.3	-167.1	0	113.1	I907 C918 P919 V923	I907-K921 HydrophobicContact CD1-CB 4.19Å; I907-K921 HydrophobicContact CD1-CD 4.48Å; I907-K921 HydrophobicContact CD1-CG 4.1Å; C918-K921 HydrophobicContact CB-CB 4.34Å; C918-K921 WeakPolarHBondContact O-CB 3.32Å; C918-K921 PolarHBondContact O-N 2.86Å; P919-K921 VanDerWaalsContact C-N 3.28Å; P919-K921 PolarHBondContact O-N 2.8Å; K921-V923 VanDerWaalsContact C-N 3.34Å
922	A	55.5	Low	75.5	Confident	97 Å²	97	95 Å²	95	80%	0.802	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-86	-0.5	179.3	0	0	0	0	0	114	Q920	Q920-A922 PolarHBondContact O-N 3.47Å
923	V	51.3	Low	74.9	Confident	133 Å²	133	96 Å²	96	81%	0.806	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-122.8	24	-174.3	-161.2	0	0	0	0	111.7	Q920 K921	Q920-V923 PolarHBondContact O-N 3.33Å; K921-V923 VanDerWaalsContact C-N 3.34Å
924	A	43.8	Very low	73.7	Confident	152 Å²	152	101 Å²	101	100%	1.256	62%	0.616	S	S	*	*			trans	-132.6	0	179.9	0	0	0	0	0	112.3

Retrieved 924 of 924 residues in 448.7 ms (Link to these results)

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