A0A077Z7X1_TRITR Loading...

DUF7164 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z7X1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 850 aa.

						>A0A077Z7X1_TRITR|A0A077Z7X1
MENANTDDAYVQMKTHFQKKEEEIKEAIKNGTFKGKTASFAAHLQRYRDERKGCGKYCKPWSQKFVDEILSNGTTYGYVILRQCRLMCYKTSVLPIARAITNHPSNLGGKVLATLGINISAWTDETNDVDPTVTVSPERESDGGKPFGGLKIGVIGVLPAGRHFEFIAELAAFLYSSWTNIHEETGLPPNTSKDFLYNKIDLLIFTEKKHFKKLLPGCEIVSDLRQIKSTKPQCLYLETTEIRHTYTYINTYSFLNCPLFRSLTHIYDYFLRTDLDVFLSPTLLTYRPTKSFITGKGAYCVDFTRKHLEEVANRLGYRHRGIHNIGSTWFGKAELLANLSTYAVSLTMKLFDTEFDPKAHPEIAAFMRFSVHGQWAEWWRPTSSMYAQEIVLNHFLDDLSAETIRGDLLDVESCRSSVISNHLHVHTWHTRCQFDKFEFLNQVSQGQLQNGMLVVKLKYAKRMPVNNMSVREYCTHIAQHALFHLAEWFAEYTESDGGKLFGGLKIGVIGVLPAGRHVEFIAELAAFLYSSWTNIHEETGLAPNRSKDLSYNKIDLLIFTEKKHFKKLLPGCEIVSDLRQIKSTKPQCLYLETTEIRHTYMYINTYSFLNCPLFRSLTHIYDYFLRTDLDVFLSPTLLTYRPTKSFITGKGAYCVDFTRKHLKEVANRLGYRHRGIHDIGSTWFGKAELLANLSTYAATLTMKLFDTEFDPKAHPEIAAFMRSSVHGQWAEWWRPTSSMYAQEIVLNHFLDDLSAETIRGDLLDVDSCRSSVISNHLHIHTWHARCPFDKFGFLNQVTQGQLQNGMLLMKLKYAKRMPVNNMSVREYCTHIAQHALFHLAEWFAEYTVAQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	58.9	Low	116 Å²	116	78.5 Å²	78.5	57%	0.571	41%	0.412	S	S	*	.				0	-44.2	0	-75.1	-176.3	-174.7	0	0	111.6	N3 A4 Y57 W61	M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.76Å; M1-A4 PolarHBondContact O-N 3.2Å; M1-Y57 HydrophobicContact CE-CE1 3.81Å; M1-Y57 HydrophobicContact CE-CE2 4.23Å; M1-Y57 WeakPolarHBondContact CE-OH 3.42Å; M1-W61 HydrophobicContact CB-CZ2 4.3Å; M1-W61 HydrophobicContact CG-CZ2 4.1Å; M1-W61 HydrophobicContact SD-CZ2 4.46Å
2	E	43.5	Very low	59.8	Low	171 Å²	171	78.8 Å²	78.8	80%	0.799	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-177.3	-70.9	177	167.8	0	0	114.5	K64	E2-K64 PolarHBondContact O-NZ 2.76Å
3	N	54.4	Low	60.2	Low	167 Å²	167	73.3 Å²	73.3	89%	0.893	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1.5	-178.3	-67.4	-5.6	0	0	0	116.1	M1	M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.76Å
4	A	53.7	Low	60.4	Low	17 Å²	17	73.6 Å²	73.6	14%	0.14	38%	0.378	C	S	.	.			trans	-76.4	137.6	-178	0	0	0	0	0	111.6	M1 D8 W61 K64	M1-A4 PolarHBondContact O-N 3.2Å; A4-D8 HydrophobicContact CB-CB 3.89Å; A4-W61 HydrophobicContact CB-CH2 3.75Å; A4-W61 HydrophobicContact CB-CZ3 4.01Å; A4-K64 PolarHBondContact O-NZ 3.06Å
5	N	66.1	Low	61	Low	91 Å²	91	74.1 Å²	74.1	49%	0.487	39%	0.386	S	S	.	.			trans	-58.3	150.5	164.3	168.3	4	0	0	0	108.9	D7 D8 A9	N5-D7 PolarHBondContact ND2-OD2 3.01Å; N5-D7 PolarHBondContact O-N 2.99Å; N5-D7 PolarHBondContact OD1-N 3.21Å; N5-D8 WeakPolarHBondContact O-CB 3.26Å; N5-D8 PolarHBondContact O-N 3.47Å; N5-A9 PolarHBondContact O-N 3.47Å
6	T	59.9	Low	61.7	Low	23 Å²	23	72.3 Å²	72.3	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-49	-34.8	171.3	-41.6	0	0	0	0	113.8	A9 Y10 F65 E68	T6-A9 WeakPolarHBondContact O-CB 2.88Å; T6-A9 PolarHBondContact O-N 3.43Å; T6-Y10 PolarHBondContact O-N 2.85Å; T6-F65 HydrophobicContact CG2-CD1 4Å; T6-F65 HydrophobicContact CG2-CE1 3.46Å; T6-F65 VanDerWaalsContact CG2-CE1 3.46Å; T6-F65 HydrophobicContact CG2-CZ 4.32Å; T6-E68 WeakPolarHBondContact CB-OE2 3.46Å; T6-E68 WeakPolarHBondContact CG2-OE2 3.49Å; T6-E68 PolarHBondContact OG1-OE2 3.29Å
7	D	63.5	Low	61.9	Low	74 Å²	74	69.5 Å²	69.5	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-44	174.5	-75	-42.8	0	0	0	112	N5 A9 Y10 V11 Y76	N5-D7 PolarHBondContact ND2-OD2 3.01Å; N5-D7 PolarHBondContact O-N 2.99Å; N5-D7 PolarHBondContact OD1-N 3.21Å; D7-A9 VanDerWaalsContact C-N 3.31Å; D7-A9 PolarHBondContact O-N 3.47Å; D7-Y10 WeakPolarHBondContact O-CB 3.06Å; D7-Y10 PolarHBondContact O-N 2.55Å; D7-V11 WeakPolarHBondContact O-CG2 3.22Å; D7-V11 PolarHBondContact O-N 3.19Å; D7-Y76 PolarHBondContact OD1-OH 3.25Å
8	D	67	Low	62.1	Low	89 Å²	89	71.3 Å²	71.3	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-36.9	175.4	-73.1	-25.4	0	0	0	111.2	A4 N5 Y10 V11 Q12	A4-D8 HydrophobicContact CB-CB 3.89Å; N5-D8 WeakPolarHBondContact O-CB 3.26Å; N5-D8 PolarHBondContact O-N 3.47Å; D8-Y10 VanDerWaalsContact C-N 3.31Å; D8-Y10 PolarHBondContact O-N 2.99Å; D8-V11 PolarHBondContact O-N 3.46Å; D8-Q12 WeakPolarHBondContact O-CB 3.4Å; D8-Q12 VanDerWaalsContact O-CG 3.26Å; D8-Q12 WeakPolarHBondContact O-CG 3.26Å; D8-Q12 PolarHBondContact O-N 3.24Å
9	A	64	Low	62.7	Low	1 Å²	1	74.7 Å²	74.7	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-56.9	-46.3	172.7	0	0	0	0	0	111.6	N5 T6 D7 Q12 M13 W61 F65	N5-A9 PolarHBondContact O-N 3.47Å; T6-A9 WeakPolarHBondContact O-CB 2.88Å; T6-A9 PolarHBondContact O-N 3.43Å; D7-A9 VanDerWaalsContact C-N 3.31Å; D7-A9 PolarHBondContact O-N 3.47Å; A9-Q12 PolarHBondContact O-N 3.32Å; A9-M13 WeakPolarHBondContact O-CB 3.44Å; A9-M13 PolarHBondContact O-N 3.22Å; A9-W61 VanDerWaalsContact CA-CZ3 3.5Å; A9-W61 HydrophobicContact CB-CD2 3.88Å; A9-W61 HydrophobicContact CB-CE3 3.1Å; A9-W61 HydrophobicContact CB-CH2 3.9Å; A9-W61 HydrophobicContact CB-CZ3 3.11Å; A9-F65 HydrophobicContact CB-CZ 4.27Å
10	Y	61.5	Low	62.8	Low	32 Å²	32	73.4 Å²	73.4	13%	0.125	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-50.7	179.8	170.4	-115.1	0	0	0	111.5	T6 D7 D8 Q12 M13 K14 Y76 I80	T6-Y10 PolarHBondContact O-N 2.85Å; D7-Y10 WeakPolarHBondContact O-CB 3.06Å; D7-Y10 PolarHBondContact O-N 2.55Å; D8-Y10 VanDerWaalsContact C-N 3.31Å; D8-Y10 PolarHBondContact O-N 2.99Å; Y10-Q12 VanDerWaalsContact C-N 3.28Å; Y10-Q12 PolarHBondContact O-N 3.36Å; Y10-M13 PolarHBondContact O-N 2.91Å; Y10-K14 HydrophobicContact CE1-CD 4.21Å; Y10-K14 HydrophobicContact CE2-CB 4.45Å; Y10-K14 HydrophobicContact CE2-CD 4.5Å; Y10-K14 VanDerWaalsContact O-CB 3.31Å; Y10-K14 WeakPolarHBondContact O-CB 3.41Å; Y10-K14 PolarHBondContact O-N 3.25Å; Y10-Y76 HydrophobicContact CD1-CE1 4.07Å; Y10-Y76 WeakPolarHBondContact CD1-OH 3.45Å; Y10-Y76 AromaticContact CG-CE1 3.91Å; Y10-Y76 HydrophobicContact CG-CE1 3.91Å; Y10-I80 HydrophobicContact CD2-CD1 3.38Å; Y10-I80 HydrophobicContact CD2-CG1 3.41Å; Y10-I80 VanDerWaalsContact CD2-CG1 3.41Å; Y10-I80 HydrophobicContact CE2-CD1 4.23Å; Y10-I80 HydrophobicContact CE2-CG1 3.77Å; Y10-I80 HydrophobicContact CG-CD1 3.96Å; Y10-I80 HydrophobicContact CG-CG1 4.41Å
11	V	67.1	Low	62.9	Low	82 Å²	82	74.6 Å²	74.6	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-57.8	-45.7	179.1	174.7	0	0	0	0	109.8	D7 D8 K14 T15	D7-V11 WeakPolarHBondContact O-CG2 3.22Å; D7-V11 PolarHBondContact O-N 3.19Å; D8-V11 PolarHBondContact O-N 3.46Å; V11-K14 PolarHBondContact O-N 3.03Å; V11-T15 WeakPolarHBondContact O-CB 3.45Å; V11-T15 PolarHBondContact O-N 3.09Å; V11-T15 PolarHBondContact O-OG1 2.9Å
12	Q	69.4	Low	64	Low	82 Å²	82	73.9 Å²	73.9	38%	0.383	37%	0.369	S	S	.	.	H	α-helix	trans	-64	-43.8	179	-72.6	178.4	38.1	0	0	113.1	D8 A9 Y10 H16	D8-Q12 WeakPolarHBondContact O-CB 3.4Å; D8-Q12 VanDerWaalsContact O-CG 3.26Å; D8-Q12 WeakPolarHBondContact O-CG 3.26Å; D8-Q12 PolarHBondContact O-N 3.24Å; A9-Q12 PolarHBondContact O-N 3.32Å; Y10-Q12 VanDerWaalsContact C-N 3.28Å; Y10-Q12 PolarHBondContact O-N 3.36Å; Q12-H16 WeakPolarHBondContact O-CB 3.42Å; Q12-H16 PolarHBondContact O-N 3.34Å
13	M	65.3	Low	65.1	Low	8 Å²	8	69.4 Å²	69.4	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-45.4	176.7	-85.3	-177.8	62.2	0	0	111.6	A9 Y10 T15 H16 F17 W61 F65 I80 C84	A9-M13 WeakPolarHBondContact O-CB 3.44Å; A9-M13 PolarHBondContact O-N 3.22Å; Y10-M13 PolarHBondContact O-N 2.91Å; M13-T15 PolarHBondContact O-N 2.82Å; M13-H16 WeakPolarHBondContact O-CB 3.41Å; M13-H16 PolarHBondContact O-N 3.09Å; M13-F17 HydrophobicContact CB-CD2 4.38Å; M13-F17 HydrophobicContact CB-CE2 4.02Å; M13-F17 HydrophobicContact CE-CE2 3.63Å; M13-F17 HydrophobicContact CE-CZ 3.98Å; M13-F17 HydrophobicContact CG-CE2 4.48Å; M13-F17 WeakPolarHBondContact O-CD2 3.37Å; M13-F17 WeakPolarHBondContact O-CG 3.41Å; M13-F17 PolarHBondContact O-N 3.46Å; M13-W61 HydrophobicContact CG-CG 4.32Å; M13-W61 HydrophobicContact SD-CB 3.53Å; M13-W61 VanDerWaalsContact SD-CB 3.53Å; M13-W61 HydrophobicContact SD-CG 3.86Å; M13-F65 HydrophobicContact CE-CE2 4.42Å; M13-F65 HydrophobicContact SD-CE2 3.64Å; M13-F65 HydrophobicContact SD-CZ 4.39Å; M13-I80 HydrophobicContact CE-CG2 4.12Å; M13-C84 WeakPolarHBondContact CE-SG 3.37Å
14	K	63	Low	65.3	Low	77 Å²	77	63.3 Å²	63.3	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-47.5	177.8	-174.4	-178.3	-177.8	177.4	0	111.4	Y10 V11 H16 F17 Q18	Y10-K14 HydrophobicContact CE1-CD 4.21Å; Y10-K14 HydrophobicContact CE2-CB 4.45Å; Y10-K14 HydrophobicContact CE2-CD 4.5Å; Y10-K14 VanDerWaalsContact O-CB 3.31Å; Y10-K14 WeakPolarHBondContact O-CB 3.41Å; Y10-K14 PolarHBondContact O-N 3.25Å; V11-K14 PolarHBondContact O-N 3.03Å; K14-H16 PolarHBondContact O-N 3.11Å; K14-F17 PolarHBondContact O-N 3.37Å; K14-Q18 WeakPolarHBondContact O-CG 3.43Å; K14-Q18 PolarHBondContact O-N 3.45Å
15	T	69.2	Low	65.9	Low	81 Å²	81	67 Å²	67	50%	0.497	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.8	-60.5	0	0	0	0	111.7	V11 M13 F17 K19	V11-T15 WeakPolarHBondContact O-CB 3.45Å; V11-T15 PolarHBondContact O-N 3.09Å; V11-T15 PolarHBondContact O-OG1 2.9Å; M13-T15 PolarHBondContact O-N 2.82Å; T15-F17 VanDerWaalsContact C-N 3.35Å; T15-F17 PolarHBondContact O-N 3.36Å; T15-K19 WeakPolarHBondContact O-CB 3.18Å; T15-K19 PolarHBondContact O-N 3.5Å
16	H	72	Confident	66	Low	45 Å²	45	67.4 Å²	67.4	21%	0.208	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-44.9	175.1	178.8	79.4	0	0	0	111.8	Q12 M13 K14 K20	Q12-H16 WeakPolarHBondContact O-CB 3.42Å; Q12-H16 PolarHBondContact O-N 3.34Å; M13-H16 WeakPolarHBondContact O-CB 3.41Å; M13-H16 PolarHBondContact O-N 3.09Å; K14-H16 PolarHBondContact O-N 3.11Å; H16-K20 WeakPolarHBondContact O-CB 3.4Å; H16-K20 WeakPolarHBondContact O-CG 2.97Å; H16-K20 PolarHBondContact O-N 3.24Å
17	F	64.9	Low	65.9	Low	25 Å²	25	67.5 Å²	67.5	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-69.5	-42.9	-179.8	-69.3	-52.4	0	0	0	113.1	M13 K14 T15 K19 K20 E21 C84 M87	M13-F17 HydrophobicContact CB-CD2 4.38Å; M13-F17 HydrophobicContact CB-CE2 4.02Å; M13-F17 HydrophobicContact CE-CE2 3.63Å; M13-F17 HydrophobicContact CE-CZ 3.98Å; M13-F17 HydrophobicContact CG-CE2 4.48Å; M13-F17 WeakPolarHBondContact O-CD2 3.37Å; M13-F17 WeakPolarHBondContact O-CG 3.41Å; M13-F17 PolarHBondContact O-N 3.46Å; K14-F17 PolarHBondContact O-N 3.37Å; T15-F17 VanDerWaalsContact C-N 3.35Å; T15-F17 PolarHBondContact O-N 3.36Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 3.16Å; F17-K20 PolarHBondContact O-N 2.92Å; F17-K20 VanDerWaalsContact O-N 3.16Å; F17-E21 WeakPolarHBondContact O-CB 3.45Å; F17-E21 PolarHBondContact O-N 2.91Å; F17-C84 VanDerWaalsContact CE2-SG 3.57Å; F17-M87 HydrophobicContact CD1-CB 4.24Å; F17-M87 HydrophobicContact CD1-CG 4.33Å; F17-M87 HydrophobicContact CE1-CB 4.09Å
18	Q	67.1	Low	65.4	Low	102 Å²	102	68.1 Å²	68.1	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-45	175.9	-74.5	178	-32.9	0	0	110.9	K14 K20 E21 E22	K14-Q18 WeakPolarHBondContact O-CG 3.43Å; K14-Q18 PolarHBondContact O-N 3.45Å; Q18-K20 VanDerWaalsContact C-N 3.28Å; Q18-K20 PolarHBondContact O-N 3.29Å; Q18-E21 PolarHBondContact O-N 3.16Å; Q18-E22 WeakPolarHBondContact O-CG 3.33Å; Q18-E22 PolarHBondContact O-N 2.96Å
19	K	72.2	Confident	65.2	Low	137 Å²	137	69.6 Å²	69.6	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-58.5	-42.1	175.2	-173.9	178.4	178	-179.8	0	111.7	T15 F17 E22 E23	T15-K19 WeakPolarHBondContact O-CB 3.18Å; T15-K19 PolarHBondContact O-N 3.5Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 3.16Å; K19-E22 PolarHBondContact O-N 3.47Å; K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.37Å; K19-E23 WeakPolarHBondContact O-CG 3.36Å; K19-E23 PolarHBondContact O-N 3.08Å
20	K	65.9	Low	64.9	Low	47 Å²	47	73.9 Å²	73.9	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-37.2	179.3	-78.6	-73.4	170.7	-163	0	113.5	H16 F17 Q18 E22 E23 I24 E50 M87	H16-K20 WeakPolarHBondContact O-CB 3.4Å; H16-K20 WeakPolarHBondContact O-CG 2.97Å; H16-K20 PolarHBondContact O-N 3.24Å; F17-K20 PolarHBondContact O-N 2.92Å; F17-K20 VanDerWaalsContact O-N 3.16Å; Q18-K20 VanDerWaalsContact C-N 3.28Å; Q18-K20 PolarHBondContact O-N 3.29Å; K20-E22 VanDerWaalsContact C-N 3.33Å; K20-E23 WeakPolarHBondContact CD-OE2 3.31Å; K20-E23 WeakPolarHBondContact CE-OE2 2.95Å; K20-E23 IonicContact NZ-OE2 2.73Å; K20-E23 PolarHBondContact NZ-OE2 3.26Å; K20-E23 PolarHBondContact O-N 3.04Å; K20-I24 WeakPolarHBondContact O-CD1 3.18Å; K20-I24 VanDerWaalsContact O-CG1 3.25Å; K20-I24 WeakPolarHBondContact O-CG1 3.46Å; K20-I24 PolarHBondContact O-N 3.42Å; K20-E50 IonicContact NZ-OE2 3.84Å; K20-E50 PolarHBondContact NZ-OE2 3.31Å; K20-M87 HydrophobicContact CB-CE 3.47Å; K20-M87 VanDerWaalsContact CB-CE 3.47Å; K20-M87 HydrophobicContact CG-CE 4.38Å
21	E	63.9	Low	64.5	Low	99 Å²	99	72.9 Å²	72.9	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.4	-167.7	-173.1	151.8	0	0	111.2	F17 Q18 I24 K25	F17-E21 WeakPolarHBondContact O-CB 3.45Å; F17-E21 PolarHBondContact O-N 2.91Å; Q18-E21 PolarHBondContact O-N 3.16Å; E21-I24 PolarHBondContact O-N 3.27Å; E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 2.85Å; E21-K25 WeakPolarHBondContact OE1-CE 3.36Å; E21-K25 IonicContact OE1-NZ 2.99Å; E21-K25 PolarHBondContact OE1-NZ 2.91Å
22	E	71	Confident	63.6	Low	102 Å²	102	74.1 Å²	74.1	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-67.9	-41.5	176.6	-66.9	-53.5	127.8	0	0	112.4	Q18 K19 K20 I24 K25 E26	Q18-E22 WeakPolarHBondContact O-CG 3.33Å; Q18-E22 PolarHBondContact O-N 2.96Å; K19-E22 PolarHBondContact O-N 3.47Å; K20-E22 VanDerWaalsContact C-N 3.33Å; E22-I24 PolarHBondContact O-N 2.92Å; E22-K25 PolarHBondContact O-N 3.02Å; E22-K25 IonicContact OE1-NZ 3.93Å; E22-K25 PolarHBondContact OE1-NZ 2.88Å; E22-E26 WeakPolarHBondContact O-CB 3.43Å; E22-E26 PolarHBondContact O-N 2.94Å
23	E	66.8	Low	62.6	Low	76 Å²	76	78.5 Å²	78.5	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-55.6	-40.2	172.1	-76.8	172.7	-167.5	0	0	111.4	K19 K20 A27	K19-E23 VanDerWaalsContact CE-OE1 3.32Å; K19-E23 WeakPolarHBondContact CE-OE1 3.37Å; K19-E23 WeakPolarHBondContact O-CG 3.36Å; K19-E23 PolarHBondContact O-N 3.08Å; K20-E23 WeakPolarHBondContact CD-OE2 3.31Å; K20-E23 WeakPolarHBondContact CE-OE2 2.95Å; K20-E23 IonicContact NZ-OE2 2.73Å; K20-E23 PolarHBondContact NZ-OE2 3.26Å; K20-E23 PolarHBondContact O-N 3.04Å; E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.48Å
24	I	58.9	Low	61.7	Low	40 Å²	40	86.4 Å²	86.4	21%	0.205	42%	0.417	C	S	.	.	H	α-helix	trans	-70.3	-46.1	177.8	-67.8	160.1	0	0	0	111.6	K20 E21 E22 E26 A27 I28 Y47 M87	K20-I24 WeakPolarHBondContact O-CD1 3.18Å; K20-I24 VanDerWaalsContact O-CG1 3.25Å; K20-I24 WeakPolarHBondContact O-CG1 3.46Å; K20-I24 PolarHBondContact O-N 3.42Å; E21-I24 PolarHBondContact O-N 3.27Å; E22-I24 PolarHBondContact O-N 2.92Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.26Å; I24-A27 PolarHBondContact O-N 3.48Å; I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.26Å; I24-Y47 HydrophobicContact CD1-CD2 3.57Å; I24-Y47 HydrophobicContact CD1-CE2 3.49Å; I24-Y47 VanDerWaalsContact CD1-CE2 3.49Å; I24-Y47 HydrophobicContact CG1-CD2 4.15Å; I24-M87 HydrophobicContact CD1-CE 4.01Å; I24-M87 HydrophobicContact CD1-SD 4.14Å
25	K	64.5	Low	60.8	Low	95 Å²	95	86.2 Å²	86.2	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-58.7	-44.7	178	-75.1	173.5	-172.9	159	0	111.1	E21 E22 A27 I28 K29	E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 2.85Å; E21-K25 WeakPolarHBondContact OE1-CE 3.36Å; E21-K25 IonicContact OE1-NZ 2.99Å; E21-K25 PolarHBondContact OE1-NZ 2.91Å; E22-K25 PolarHBondContact O-N 3.02Å; E22-K25 IonicContact OE1-NZ 3.93Å; E22-K25 PolarHBondContact OE1-NZ 2.88Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 2.92Å; K25-I28 PolarHBondContact O-N 2.91Å; K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.47Å; K25-K29 PolarHBondContact O-N 3.4Å
26	E	68.2	Low	59.5	Low	98 Å²	98	89.6 Å²	89.6	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-42.1	176.8	-164.7	68.3	-156.1	0	0	111.1	E22 I24 K29 N30	E22-E26 WeakPolarHBondContact O-CB 3.43Å; E22-E26 PolarHBondContact O-N 2.94Å; I24-E26 VanDerWaalsContact C-N 3.3Å; I24-E26 PolarHBondContact O-N 3.26Å; E26-K29 PolarHBondContact O-N 2.9Å; E26-N30 WeakPolarHBondContact O-CB 3.19Å; E26-N30 VanDerWaalsContact O-CG 3.29Å; E26-N30 PolarHBondContact O-N 2.92Å; E26-N30 PolarHBondContact O-ND2 3.47Å; E26-N30 VanDerWaalsContact O-ND2 3.13Å
27	A	57.9	Low	58.3	Low	25 Å²	25	93.8 Å²	93.8	21%	0.207	47%	0.474	C	S	.	.	H	α-helix	trans	-68.3	-41.8	-180	0	0	0	0	0	112.4	E23 I24 K25 N30 G31 H43	E23-A27 WeakPolarHBondContact O-CB 3.48Å; E23-A27 PolarHBondContact O-N 3.48Å; I24-A27 PolarHBondContact O-N 3.48Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-A27 PolarHBondContact O-N 2.92Å; A27-N30 PolarHBondContact O-N 3Å; A27-G31 PolarHBondContact O-N 3.25Å; A27-H43 VanDerWaalsContact CB-NE2 3.27Å; A27-H43 WeakPolarHBondContact CB-NE2 3.31Å; A27-H43 PolarHBondContact O-NE2 2.7Å
28	I	54.8	Low	57.4	Low	88 Å²	88	96.3 Å²	96.3	45%	0.451	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-50.6	172.2	-69.9	170.7	0	0	0	109.8	I24 K25 N30 G31 T32	I24-I28 HydrophobicContact CG2-CD1 3.73Å; I24-I28 HydrophobicContact CG2-CG1 4.27Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.26Å; K25-I28 PolarHBondContact O-N 2.91Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.01Å; I28-G31 WeakPolarHBondContact O-CA 3.26Å; I28-G31 PolarHBondContact O-N 3.16Å; I28-T32 PolarHBondContact O-N 3.32Å; I28-T32 PolarHBondContact O-OG1 3.23Å
29	K	61.6	Low	56.7	Low	120 Å²	120	93 Å²	93	52%	0.522	49%	0.487	S	S	.	.	H	α-helix	trans	-56.8	-42.5	179.5	-173.7	-177.2	177.3	-171.5	0	112.1	K25 E26 T32 F33	K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.47Å; K25-K29 PolarHBondContact O-N 3.4Å; E26-K29 PolarHBondContact O-N 2.9Å; K29-T32 PolarHBondContact O-OG1 2.78Å; K29-F33 PolarHBondContact O-N 2.86Å
30	N	57.3	Low	55.6	Low	91 Å²	91	92.5 Å²	92.5	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-71.8	-31.1	177.1	-73.4	-33.5	0	0	0	113	E26 A27 I28	E26-N30 WeakPolarHBondContact O-CB 3.19Å; E26-N30 VanDerWaalsContact O-CG 3.29Å; E26-N30 PolarHBondContact O-N 2.92Å; E26-N30 PolarHBondContact O-ND2 3.47Å; E26-N30 VanDerWaalsContact O-ND2 3.13Å; A27-N30 PolarHBondContact O-N 3Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.01Å
31	G	53.8	Low	55.1	Low	11 Å²	11	93.5 Å²	93.5	11%	0.113	50%	0.502	C	S	.	.	H	α-helix	trans	-67.9	-42.9	173.7	0	0	0	0	0	112.9	A27 I28 F33 K34	A27-G31 PolarHBondContact O-N 3.25Å; I28-G31 WeakPolarHBondContact O-CA 3.26Å; I28-G31 PolarHBondContact O-N 3.16Å; G31-F33 VanDerWaalsContact C-N 3.33Å; G31-F33 PolarHBondContact O-N 3.12Å; G31-K34 PolarHBondContact O-N 3.22Å
32	T	47.8	Very low	54.7	Low	107 Å²	107	91.7 Å²	91.7	66%	0.656	50%	0.504	S	S	*	.	H	α-helix	trans	-63.9	-37.5	175.8	8.7	0	0	0	0	112	I28 K29 K34	I28-T32 PolarHBondContact O-N 3.32Å; I28-T32 PolarHBondContact O-OG1 3.23Å; K29-T32 PolarHBondContact O-OG1 2.78Å; T32-K34 VanDerWaalsContact C-N 3.29Å; T32-K34 PolarHBondContact O-N 3.49Å
33	F	49.6	Very low	54.1	Low	175 Å²	175	89.4 Å²	89.4	77%	0.768	49%	0.493	S	S	*	.	H	α-helix	trans	-70	-18.2	-179	-104	-83.4	0	0	0	115	K29 G31	K29-F33 PolarHBondContact O-N 2.86Å; G31-F33 VanDerWaalsContact C-N 3.33Å; G31-F33 PolarHBondContact O-N 3.12Å
34	K	46.2	Very low	53.5	Low	174 Å²	174	89 Å²	89	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	7.9	-179.2	-75.6	-170.5	176.7	-180	0	115.1	G31 T32 K36	G31-K34 PolarHBondContact O-N 3.22Å; T32-K34 VanDerWaalsContact C-N 3.29Å; T32-K34 PolarHBondContact O-N 3.49Å; K34-K36 PolarHBondContact O-N 3.43Å
35	G	44.5	Very low	53.8	Low	73 Å²	73	91 Å²	91	75%	0.753	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	15.3	168	0	0	0	0	0	116
36	K	40.8	Very low	53.7	Low	152 Å²	152	94.3 Å²	94.3	66%	0.661	51%	0.511	S	S	*	.			trans	-111	105.2	-178.8	-71.4	-175.3	-178.3	-173.7	0	109.6	K34 A38 S39	K34-K36 PolarHBondContact O-N 3.43Å; K36-A38 PolarHBondContact O-N 3.04Å; K36-S39 VanDerWaalsContact O-CB 3.24Å; K36-S39 WeakPolarHBondContact O-CB 3.45Å; K36-S39 PolarHBondContact O-N 3.13Å; K36-S39 PolarHBondContact O-OG 3.09Å
37	T	46.4	Very low	53.2	Low	133 Å²	133	92.7 Å²	92.7	82%	0.816	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.2	169.6	31.4	0	0	0	0	112.7	S39 F40	T37-S39 PolarHBondContact O-N 3.18Å; T37-S39 VanDerWaalsContact O-N 3.11Å; T37-F40 PolarHBondContact O-N 3.08Å
38	A	46.6	Very low	53.4	Low	78 Å²	78	98.2 Å²	98.2	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-55.7	-25.2	170.2	0	0	0	0	0	113.1	K36 A42	K36-A38 PolarHBondContact O-N 3.04Å; A38-A42 WeakPolarHBondContact O-CB 3.39Å; A38-A42 PolarHBondContact O-N 3.19Å
39	S	52.7	Low	53.8	Low	32 Å²	32	97.8 Å²	97.8	22%	0.224	52%	0.516	C	S	.	.	H	α-helix	trans	-76	-27.3	177.1	84.7	0	0	0	0	113.5	K36 T37 H43	K36-S39 VanDerWaalsContact O-CB 3.24Å; K36-S39 WeakPolarHBondContact O-CB 3.45Å; K36-S39 PolarHBondContact O-N 3.13Å; K36-S39 PolarHBondContact O-OG 3.09Å; T37-S39 PolarHBondContact O-N 3.18Å; T37-S39 VanDerWaalsContact O-N 3.11Å; S39-H43 VanDerWaalsContact O-CB 3.25Å; S39-H43 WeakPolarHBondContact O-CB 3.17Å; S39-H43 PolarHBondContact O-N 2.98Å; S39-H43 PolarHBondContact O-ND1 3.37Å
40	F	49.6	Very low	53.9	Low	127 Å²	127	95.5 Å²	95.5	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-73.4	-45.1	-177.6	-173.9	-101.8	0	0	0	111.2	T37 A42 H43 L44	T37-F40 PolarHBondContact O-N 3.08Å; F40-A42 PolarHBondContact O-N 2.91Å; F40-H43 WeakPolarHBondContact O-CB 3.4Å; F40-H43 PolarHBondContact O-N 3.48Å; F40-L44 HydrophobicContact CE1-CD1 3.9Å; F40-L44 HydrophobicContact CZ-CD1 3.83Å; F40-L44 WeakPolarHBondContact O-CB 3.25Å; F40-L44 PolarHBondContact O-N 2.84Å
41	A	53.4	Low	54	Low	67 Å²	67	95.3 Å²	95.3	55%	0.554	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-42.9	175.4	0	0	0	0	0	111.8	H43 L44 Q45	A41-H43 VanDerWaalsContact C-N 3.34Å; A41-H43 PolarHBondContact O-N 2.96Å; A41-L44 PolarHBondContact O-N 3.34Å; A41-Q45 WeakPolarHBondContact O-CB 3.24Å; A41-Q45 PolarHBondContact O-N 3.31Å
42	A	57.2	Low	54.3	Low	61 Å²	61	102.4 Å²	102.4	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-38.5	173.8	0	0	0	0	0	112.2	A38 F40 Q45 R46	A38-A42 WeakPolarHBondContact O-CB 3.39Å; A38-A42 PolarHBondContact O-N 3.19Å; F40-A42 PolarHBondContact O-N 2.91Å; A42-Q45 PolarHBondContact O-N 2.91Å; A42-R46 WeakPolarHBondContact O-CB 3.5Å; A42-R46 PolarHBondContact O-N 3.19Å
43	H	58	Low	55.1	Low	54 Å²	54	99.4 Å²	99.4	25%	0.25	52%	0.517	C	S	.	.	H	α-helix	trans	-65.3	-43.3	172.8	-92.6	93.1	0	0	0	112.4	A27 S39 F40 A41 Q45 R46 Y47	A27-H43 VanDerWaalsContact CB-NE2 3.27Å; A27-H43 WeakPolarHBondContact CB-NE2 3.31Å; A27-H43 PolarHBondContact O-NE2 2.7Å; S39-H43 VanDerWaalsContact O-CB 3.25Å; S39-H43 WeakPolarHBondContact O-CB 3.17Å; S39-H43 PolarHBondContact O-N 2.98Å; S39-H43 PolarHBondContact O-ND1 3.37Å; F40-H43 WeakPolarHBondContact O-CB 3.4Å; F40-H43 PolarHBondContact O-N 3.48Å; A41-H43 VanDerWaalsContact C-N 3.34Å; A41-H43 PolarHBondContact O-N 2.96Å; H43-Q45 VanDerWaalsContact C-N 3.26Å; H43-Q45 PolarHBondContact O-N 3.44Å; H43-R46 PolarHBondContact O-N 3.48Å; H43-Y47 VanDerWaalsContact O-CB 3.27Å; H43-Y47 WeakPolarHBondContact O-CB 3.46Å; H43-Y47 PolarHBondContact O-N 2.94Å
44	L	54.6	Low	55.7	Low	69 Å²	69	91.6 Å²	91.6	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-38.4	178.2	-147.4	89.1	0	0	0	110.5	F40 A41 Y47 R48	F40-L44 HydrophobicContact CE1-CD1 3.9Å; F40-L44 HydrophobicContact CZ-CD1 3.83Å; F40-L44 WeakPolarHBondContact O-CB 3.25Å; F40-L44 PolarHBondContact O-N 2.84Å; A41-L44 PolarHBondContact O-N 3.34Å; L44-Y47 WeakPolarHBondContact O-CB 3.37Å; L44-Y47 PolarHBondContact O-N 3.14Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å
45	Q	63.8	Low	56.4	Low	81 Å²	81	83.8 Å²	83.8	38%	0.379	45%	0.453	S	S	.	.	H	α-helix	trans	-69.5	-45.2	175.3	-169.8	56.4	40.3	0	0	111.7	A41 A42 H43 Y47 R48 D49	A41-Q45 WeakPolarHBondContact O-CB 3.24Å; A41-Q45 PolarHBondContact O-N 3.31Å; A42-Q45 PolarHBondContact O-N 2.91Å; H43-Q45 VanDerWaalsContact C-N 3.26Å; H43-Q45 PolarHBondContact O-N 3.44Å; Q45-Y47 PolarHBondContact O-N 3.27Å; Q45-R48 CarbonylContact O-C 3.48Å; Q45-R48 WeakPolarHBondContact O-CA 3.38Å; Q45-R48 WeakPolarHBondContact O-CB 3.36Å; Q45-R48 PolarHBondContact O-N 3.2Å; Q45-D49 PolarHBondContact NE2-OD1 3.13Å; Q45-D49 VanDerWaalsContact O-CG 3.27Å; Q45-D49 PolarHBondContact O-N 3.06Å
46	R	63.4	Low	57.4	Low	164 Å²	164	89.3 Å²	89.3	62%	0.619	46%	0.457	S	S	*	.	H	α-helix	trans	-57.7	-40.1	173.1	-163.7	-179.9	-166.5	174.6	6.9	111.5	A42 H43 D49 E50	A42-R46 WeakPolarHBondContact O-CB 3.5Å; A42-R46 PolarHBondContact O-N 3.19Å; H43-R46 PolarHBondContact O-N 3.48Å; R46-D49 PolarHBondContact O-N 3.21Å; R46-E50 IonicContact NE-OE1 3.75Å; R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 WeakPolarHBondContact O-CG 3.18Å; R46-E50 PolarHBondContact O-N 3.3Å
47	Y	57.7	Low	58.6	Low	65 Å²	65	87.4 Å²	87.4	26%	0.255	45%	0.446	S	S	.	.	H	α-helix	trans	-62.5	-42.9	173.2	175.2	-106	0	0	0	112.1	I24 H43 L44 Q45 R51 L86 M87	I24-Y47 HydrophobicContact CD1-CD2 3.57Å; I24-Y47 HydrophobicContact CD1-CE2 3.49Å; I24-Y47 VanDerWaalsContact CD1-CE2 3.49Å; I24-Y47 HydrophobicContact CG1-CD2 4.15Å; H43-Y47 VanDerWaalsContact O-CB 3.27Å; H43-Y47 WeakPolarHBondContact O-CB 3.46Å; H43-Y47 PolarHBondContact O-N 2.94Å; L44-Y47 WeakPolarHBondContact O-CB 3.37Å; L44-Y47 PolarHBondContact O-N 3.14Å; Q45-Y47 PolarHBondContact O-N 3.27Å; Y47-R51 HydrophobicContact CE1-CG 4.33Å; Y47-R51 HydrophobicContact CE2-CG 4.33Å; Y47-R51 WeakPolarHBondContact O-CB 3.32Å; Y47-R51 WeakPolarHBondContact O-CG 3.15Å; Y47-R51 PolarHBondContact O-N 2.98Å; Y47-R51 PolarHBondContact OH-NH1 2.94Å; Y47-L86 PolarHBondContact OH-O 3.2Å; Y47-M87 HydrophobicContact CE2-SD 3.85Å
48	R	61.6	Low	59.4	Low	140 Å²	140	81.1 Å²	81.1	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-41.8	173.7	-73.7	169.7	176.4	-179.3	-3.5	112	L44 Q45 R51 K52	L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.28Å; Q45-R48 CarbonylContact O-C 3.48Å; Q45-R48 WeakPolarHBondContact O-CA 3.38Å; Q45-R48 WeakPolarHBondContact O-CB 3.36Å; Q45-R48 PolarHBondContact O-N 3.2Å; R48-R51 PolarHBondContact O-N 3.42Å; R48-K52 PolarHBondContact O-N 3.27Å; R48-K52 VanDerWaalsContact O-N 3.15Å
49	D	64.2	Low	60.3	Low	79 Å²	79	84.9 Å²	84.9	42%	0.422	41%	0.409	S	S	.	.	H	α-helix	trans	-70.3	-39.2	179.9	-63.1	-25.1	0	0	0	111.4	Q45 R46 K52 G53	Q45-D49 PolarHBondContact NE2-OD1 3.13Å; Q45-D49 VanDerWaalsContact O-CG 3.27Å; Q45-D49 PolarHBondContact O-N 3.06Å; R46-D49 PolarHBondContact O-N 3.21Å; D49-K52 WeakPolarHBondContact O-CB 3.5Å; D49-K52 PolarHBondContact O-N 3.11Å; D49-G53 PolarHBondContact O-N 3.41Å
50	E	62.1	Low	60.9	Low	72 Å²	72	86.6 Å²	86.6	34%	0.336	42%	0.42	S	S	.	.	H	α-helix	trans	-67.8	-36.9	173.2	-74.6	-169.1	-155.4	0	0	112.5	K20 R46 K52 G53 C54	K20-E50 IonicContact NZ-OE2 3.84Å; K20-E50 PolarHBondContact NZ-OE2 3.31Å; R46-E50 IonicContact NE-OE1 3.75Å; R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 WeakPolarHBondContact O-CG 3.18Å; R46-E50 PolarHBondContact O-N 3.3Å; E50-K52 VanDerWaalsContact C-N 3.25Å; E50-K52 PolarHBondContact O-N 3.35Å; E50-G53 PolarHBondContact O-N 3.05Å; E50-C54 PolarHBondContact O-N 3.35Å
51	R	59.8	Low	61.7	Low	88 Å²	88	80.7 Å²	80.7	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-58.4	-37.2	170.1	-80.5	-177.6	101.4	150.5	8.2	111.8	Y47 R48 G53 C54 L86 M87	Y47-R51 HydrophobicContact CE1-CG 4.33Å; Y47-R51 HydrophobicContact CE2-CG 4.33Å; Y47-R51 WeakPolarHBondContact O-CB 3.32Å; Y47-R51 WeakPolarHBondContact O-CG 3.15Å; Y47-R51 PolarHBondContact O-N 2.98Å; Y47-R51 PolarHBondContact OH-NH1 2.94Å; R48-R51 PolarHBondContact O-N 3.42Å; R51-G53 VanDerWaalsContact C-N 3.34Å; R51-C54 WeakPolarHBondContact O-CB 3.37Å; R51-C54 PolarHBondContact O-N 3.16Å; R51-L86 PolarHBondContact NH2-O 3.07Å; R51-M87 WeakPolarHBondContact CG-O 3.44Å; R51-M87 PolarHBondContact NE-O 3.07Å; R51-M87 PolarHBondContact NH2-O 2.92Å
52	K	60.9	Low	62.3	Low	159 Å²	159	78 Å²	78	69%	0.691	37%	0.371	S	S	*	.	H	α-helix	trans	-64.8	-38.4	173.9	-72.4	178.9	177.2	177.2	0	111.6	R48 D49 E50	R48-K52 PolarHBondContact O-N 3.27Å; R48-K52 VanDerWaalsContact O-N 3.15Å; D49-K52 WeakPolarHBondContact O-CB 3.5Å; D49-K52 PolarHBondContact O-N 3.11Å; E50-K52 VanDerWaalsContact C-N 3.25Å; E50-K52 PolarHBondContact O-N 3.35Å
53	G	63.5	Low	62.9	Low	44 Å²	44	80.2 Å²	80.2	45%	0.454	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-35	177.5	0	0	0	0	0	114.2	D49 E50 R51 G55 K56	D49-G53 PolarHBondContact O-N 3.41Å; E50-G53 PolarHBondContact O-N 3.05Å; R51-G53 VanDerWaalsContact C-N 3.34Å; G53-G55 PolarHBondContact O-N 3.47Å; G53-G55 VanDerWaalsContact O-N 3.14Å; G53-K56 PolarHBondContact O-N 3.08Å; G53-K56 VanDerWaalsContact O-N 3.09Å
54	C	62.1	Low	63.5	Low	12 Å²	12	80.6 Å²	80.6	8%	0.081	37%	0.372	C	S	.	.	H	α-helix	trans	-54.2	-33.9	179	-179	0	0	0	0	113.5	E50 R51 K56 Y57 C58 C88	E50-C54 PolarHBondContact O-N 3.35Å; R51-C54 WeakPolarHBondContact O-CB 3.37Å; R51-C54 PolarHBondContact O-N 3.16Å; C54-K56 VanDerWaalsContact C-N 3.27Å; C54-K56 PolarHBondContact O-N 2.99Å; C54-Y57 PolarHBondContact O-N 3.31Å; C54-C58 PolarHBondContact O-N 3.18Å; C54-C58 PolarHBondContact SG-SG 3.47Å; C54-C88 HydrophobicContact CB-CB 4.12Å; C54-C88 WeakPolarHBondContact CB-SG 3.26Å; C54-C88 WeakPolarHBondContact SG-CB 3.34Å; C54-C88 CovalentContact SG-SG 2.03Å; C54-C88 PolarHBondContact SG-SG 2.88Å
55	G	62	Low	64.2	Low	9 Å²	9	77.5 Å²	77.5	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-55.8	-38.9	178.1	0	0	0	0	0	113.1	G53 Y57 K59	G53-G55 PolarHBondContact O-N 3.47Å; G53-G55 VanDerWaalsContact O-N 3.14Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 2.96Å; G55-K59 WeakPolarHBondContact O-CB 3.5Å; G55-K59 PolarHBondContact O-N 3.29Å
56	K	65.7	Low	64.4	Low	190 Å²	190	74.1 Å²	74.1	83%	0.826	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-37.3	177.4	-75.2	-174.3	177.1	-179.2	0	112.5	G53 C54	G53-K56 PolarHBondContact O-N 3.08Å; G53-K56 VanDerWaalsContact O-N 3.09Å; C54-K56 VanDerWaalsContact C-N 3.27Å; C54-K56 PolarHBondContact O-N 2.99Å
57	Y	65	Low	64.8	Low	111 Å²	111	70.1 Å²	70.1	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-78.8	-37.6	-178.2	-139.2	-88	0	0	0	112	M1 C54 G55	M1-Y57 HydrophobicContact CE-CE1 3.81Å; M1-Y57 HydrophobicContact CE-CE2 4.23Å; M1-Y57 WeakPolarHBondContact CE-OH 3.42Å; C54-Y57 PolarHBondContact O-N 3.31Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 2.96Å
58	C	63.3	Low	65.3	Low	2 Å²	2	68.6 Å²	68.6	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-82.3	-28.4	-176.7	-68	0	0	0	0	113.7	C54 W61 S62 S92	C54-C58 PolarHBondContact O-N 3.18Å; C54-C58 PolarHBondContact SG-SG 3.47Å; C58-W61 WeakPolarHBondContact O-CB 3.37Å; C58-W61 PolarHBondContact O-N 3.07Å; C58-S62 PolarHBondContact O-N 3.19Å; C58-S62 PolarHBondContact O-OG 3.24Å; C58-S62 VanDerWaalsContact O-OG 3.11Å; C58-S92 WeakPolarHBondContact CB-OG 3.41Å
59	K	66	Low	65.5	Low	156 Å²	156	62 Å²	62	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-53.9	-45.5	-171.4	-174.2	177.6	-175	-176.8	0	114.3	G55 W61 S62 Q63	G55-K59 WeakPolarHBondContact O-CB 3.5Å; G55-K59 PolarHBondContact O-N 3.29Å; K59-W61 VanDerWaalsContact C-N 3.27Å; K59-W61 PolarHBondContact O-N 3.07Å; K59-S62 PolarHBondContact O-N 2.84Å; K59-Q63 PolarHBondContact O-N 3.42Å
60	P	64.9	Low	65.6	Low	69 Å²	69	61.8 Å²	61.8	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-36.9	177.7	-21.9	33.7	0	0	0	112.7	K64	P60-K64 PolarHBondContact O-N 3.45Å
61	W	65.7	Low	65.9	Low	3 Å²	3	62.3 Å²	62.3	1%	0.011	31%	0.311	C	S	.	.	H	α-helix	trans	-74.8	-38.5	178.7	-53.3	114.6	0	0	0	112	M1 A4 A9 M13 C58 K59 Q63 K64 F65	M1-W61 HydrophobicContact CB-CZ2 4.3Å; M1-W61 HydrophobicContact CG-CZ2 4.1Å; M1-W61 HydrophobicContact SD-CZ2 4.46Å; A4-W61 HydrophobicContact CB-CH2 3.75Å; A4-W61 HydrophobicContact CB-CZ3 4.01Å; A9-W61 VanDerWaalsContact CA-CZ3 3.5Å; A9-W61 HydrophobicContact CB-CD2 3.88Å; A9-W61 HydrophobicContact CB-CE3 3.1Å; A9-W61 HydrophobicContact CB-CH2 3.9Å; A9-W61 HydrophobicContact CB-CZ3 3.11Å; M13-W61 HydrophobicContact CG-CG 4.32Å; M13-W61 HydrophobicContact SD-CB 3.53Å; M13-W61 VanDerWaalsContact SD-CB 3.53Å; M13-W61 HydrophobicContact SD-CG 3.86Å; C58-W61 WeakPolarHBondContact O-CB 3.37Å; C58-W61 PolarHBondContact O-N 3.07Å; K59-W61 VanDerWaalsContact C-N 3.27Å; K59-W61 PolarHBondContact O-N 3.07Å; W61-Q63 PolarHBondContact O-N 2.85Å; W61-K64 HydrophobicContact CE3-CD 4.37Å; W61-K64 PolarHBondContact O-N 3.19Å; W61-K64 VanDerWaalsContact O-N 3.16Å; W61-F65 HydrophobicContact CB-CD2 4.26Å; W61-F65 HydrophobicContact CB-CE2 3.86Å; W61-F65 WeakPolarHBondContact O-CD2 3.45Å; W61-F65 PolarHBondContact O-N 3.38Å
62	S	66.1	Low	66	Low	9 Å²	9	63.4 Å²	63.4	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-55.7	-40.8	176.7	-61.7	0	0	0	0	111.7	C58 K59 F65 V66	C58-S62 PolarHBondContact O-N 3.19Å; C58-S62 PolarHBondContact O-OG 3.24Å; C58-S62 VanDerWaalsContact O-OG 3.11Å; K59-S62 PolarHBondContact O-N 2.84Å; S62-F65 PolarHBondContact O-N 3.15Å; S62-V66 WeakPolarHBondContact O-CG2 3.42Å; S62-V66 PolarHBondContact O-N 3.32Å
63	Q	70	Confident	65.7	Low	109 Å²	109	57.2 Å²	57.2	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-47.4	176.1	-168	59.6	48.1	0	0	112	K59 W61 F65 V66 D67	K59-Q63 PolarHBondContact O-N 3.42Å; W61-Q63 PolarHBondContact O-N 2.85Å; Q63-F65 VanDerWaalsContact C-N 3.25Å; Q63-F65 PolarHBondContact O-N 3.36Å; Q63-V66 WeakPolarHBondContact O-CB 3.35Å; Q63-V66 PolarHBondContact O-N 3.13Å; Q63-V66 VanDerWaalsContact O-N 3.08Å; Q63-D67 PolarHBondContact NE2-OD1 3.31Å; Q63-D67 PolarHBondContact O-N 3.3Å
64	K	70.5	Confident	65.3	Low	62 Å²	62	57.2 Å²	57.2	27%	0.27	30%	0.297	S	S	.	.	H	α-helix	trans	-55.4	-39.4	174.5	-84.2	-172.4	171.8	-179.4	0	112.9	E2 A4 P60 W61 D67 E68	E2-K64 PolarHBondContact O-NZ 2.76Å; A4-K64 PolarHBondContact O-NZ 3.06Å; P60-K64 PolarHBondContact O-N 3.45Å; W61-K64 HydrophobicContact CE3-CD 4.37Å; W61-K64 PolarHBondContact O-N 3.19Å; W61-K64 VanDerWaalsContact O-N 3.16Å; K64-D67 PolarHBondContact O-N 3.17Å; K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 PolarHBondContact O-N 3.3Å
65	F	69.2	Low	64.9	Low	4 Å²	4	62.1 Å²	62.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-37.8	177.2	-71.8	-57.7	0	0	0	113.1	T6 A9 M13 W61 S62 Q63 D67 I69 I80 I96	T6-F65 HydrophobicContact CG2-CD1 4Å; T6-F65 HydrophobicContact CG2-CE1 3.46Å; T6-F65 VanDerWaalsContact CG2-CE1 3.46Å; T6-F65 HydrophobicContact CG2-CZ 4.32Å; A9-F65 HydrophobicContact CB-CZ 4.27Å; M13-F65 HydrophobicContact CE-CE2 4.42Å; M13-F65 HydrophobicContact SD-CE2 3.64Å; M13-F65 HydrophobicContact SD-CZ 4.39Å; W61-F65 HydrophobicContact CB-CD2 4.26Å; W61-F65 HydrophobicContact CB-CE2 3.86Å; W61-F65 WeakPolarHBondContact O-CD2 3.45Å; W61-F65 PolarHBondContact O-N 3.38Å; S62-F65 PolarHBondContact O-N 3.15Å; Q63-F65 VanDerWaalsContact C-N 3.25Å; Q63-F65 PolarHBondContact O-N 3.36Å; F65-D67 VanDerWaalsContact C-N 3.32Å; F65-I69 WeakPolarHBondContact O-CB 3.13Å; F65-I69 WeakPolarHBondContact O-CD1 3.3Å; F65-I69 WeakPolarHBondContact O-CG1 3.21Å; F65-I69 PolarHBondContact O-N 3.43Å; F65-I80 HydrophobicContact CD1-CD1 4.17Å; F65-I80 HydrophobicContact CE1-CD1 3.24Å; F65-I80 HydrophobicContact CE2-CD1 4.37Å; F65-I80 HydrophobicContact CE2-CG2 4.1Å; F65-I80 HydrophobicContact CZ-CD1 3.38Å; F65-I80 HydrophobicContact CZ-CG2 4.11Å; F65-I96 HydrophobicContact CB-CD1 4.46Å
66	V	68.5	Low	64.6	Low	9 Å²	9	66 Å²	66	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-58	-52.4	170.8	168.6	0	0	0	0	108.8	S62 Q63 E68 I69 L70 I96 A99	S62-V66 WeakPolarHBondContact O-CG2 3.42Å; S62-V66 PolarHBondContact O-N 3.32Å; Q63-V66 WeakPolarHBondContact O-CB 3.35Å; Q63-V66 PolarHBondContact O-N 3.13Å; Q63-V66 VanDerWaalsContact O-N 3.08Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 3.05Å; V66-I69 PolarHBondContact O-N 3.44Å; V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 4.11Å; V66-L70 WeakPolarHBondContact O-CB 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.44Å; V66-I96 HydrophobicContact CG2-CB 4.07Å; V66-I96 HydrophobicContact CG2-CG1 3.9Å; V66-I96 HydrophobicContact CG2-CG2 4Å; V66-A99 HydrophobicContact CB-CB 4.26Å; V66-A99 HydrophobicContact CG1-CB 3.48Å; V66-A99 VanDerWaalsContact CG1-CB 3.48Å; V66-A99 HydrophobicContact CG2-CB 3.66Å
67	D	71.6	Confident	64.1	Low	81 Å²	81	57 Å²	57	43%	0.433	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-41.8	-176.7	-57.6	-19	0	0	0	111.2	Q63 K64 F65 L70 S71	Q63-D67 PolarHBondContact NE2-OD1 3.31Å; Q63-D67 PolarHBondContact O-N 3.3Å; K64-D67 PolarHBondContact O-N 3.17Å; F65-D67 VanDerWaalsContact C-N 3.32Å; D67-L70 PolarHBondContact O-N 3.04Å; D67-S71 VanDerWaalsContact O-CB 3.26Å; D67-S71 WeakPolarHBondContact O-CB 3.5Å; D67-S71 PolarHBondContact O-N 2.92Å; D67-S71 PolarHBondContact O-OG 3.45Å
68	E	69.2	Low	63.7	Low	33 Å²	33	52.8 Å²	52.8	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-71.6	-39.3	177.7	-174.8	170.7	156.5	0	0	114.1	T6 K64 V66 L70 S71 N72 T74	T6-E68 WeakPolarHBondContact CB-OE2 3.46Å; T6-E68 WeakPolarHBondContact CG2-OE2 3.49Å; T6-E68 PolarHBondContact OG1-OE2 3.29Å; K64-E68 WeakPolarHBondContact O-CB 3.43Å; K64-E68 PolarHBondContact O-N 3.3Å; V66-E68 VanDerWaalsContact C-N 3.3Å; V66-E68 PolarHBondContact O-N 3.05Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.25Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 PolarHBondContact O-OG 3.37Å; E68-N72 HydrophobicContact CG-CB 4.44Å; E68-N72 PolarHBondContact O-N 2.8Å; E68-T74 PolarHBondContact OE1-OG1 3.46Å
69	I	64.7	Low	63.4	Low	1 Å²	1	56.3 Å²	56.3	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-41.2	174.9	-68.9	166	0	0	0	109.5	F65 V66 G73 Y78 L81 I96 I100	F65-I69 WeakPolarHBondContact O-CB 3.13Å; F65-I69 WeakPolarHBondContact O-CD1 3.3Å; F65-I69 WeakPolarHBondContact O-CG1 3.21Å; F65-I69 PolarHBondContact O-N 3.43Å; V66-I69 PolarHBondContact O-N 3.44Å; I69-G73 VanDerWaalsContact O-CA 3.31Å; I69-G73 WeakPolarHBondContact O-CA 3.17Å; I69-G73 PolarHBondContact O-N 3.36Å; I69-G73 VanDerWaalsContact O-N 3.09Å; I69-Y78 HydrophobicContact CG2-CE1 4.38Å; I69-Y78 HydrophobicContact CG2-CE2 4.32Å; I69-Y78 WeakPolarHBondContact CG2-OH 3.41Å; I69-L81 HydrophobicContact CD1-CD1 4.28Å; I69-I96 HydrophobicContact CD1-CG2 4.16Å; I69-I100 HydrophobicContact CB-CG2 4.09Å; I69-I100 HydrophobicContact CD1-CG2 4.14Å; I69-I100 HydrophobicContact CG2-CB 4.34Å; I69-I100 HydrophobicContact CG2-CG2 3.59Å
70	L	67.5	Low	62.8	Low	75 Å²	75	49.2 Å²	49.2	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-69.6	-33.5	177.7	-65.5	179.5	0	0	0	112.2	V66 D67 E68 H103	V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 4.11Å; V66-L70 WeakPolarHBondContact O-CB 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.44Å; D67-L70 PolarHBondContact O-N 3.04Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.25Å; L70-H103 HydrophobicContact CD2-CB 4.26Å
71	S	67.7	Low	62.4	Low	82 Å²	82	46.1 Å²	46.1	57%	0.573	25%	0.254	S	S	*	.	H	α-helix	trans	-86	-44.4	-177.7	76	0	0	0	0	113.5	D67 E68	D67-S71 VanDerWaalsContact O-CB 3.26Å; D67-S71 WeakPolarHBondContact O-CB 3.5Å; D67-S71 PolarHBondContact O-N 2.92Å; D67-S71 PolarHBondContact O-OG 3.45Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 PolarHBondContact O-OG 3.37Å
72	N	62.1	Low	62	Low	111 Å²	111	55.3 Å²	55.3	59%	0.594	29%	0.289	S	S	*	.	H	α-helix	trans	-115.2	-12.1	-167.6	-60.3	-10.1	0	0	0	113	E68 T74	E68-N72 HydrophobicContact CG-CB 4.44Å; E68-N72 PolarHBondContact O-N 2.8Å; N72-T74 HydrophobicContact CB-CG2 3.65Å; N72-T74 PolarHBondContact O-N 3.46Å; N72-T74 VanDerWaalsContact O-N 3.09Å
73	G	55	Low	61.5	Low	30 Å²	30	59.1 Å²	59.1	31%	0.309	31%	0.306	S	S	.	.			trans	59.4	21	-179.7	0	0	0	0	0	114.3	I69	I69-G73 VanDerWaalsContact O-CA 3.31Å; I69-G73 WeakPolarHBondContact O-CA 3.17Å; I69-G73 PolarHBondContact O-N 3.36Å; I69-G73 VanDerWaalsContact O-N 3.09Å
74	T	55.1	Low	60.7	Low	44 Å²	44	54.2 Å²	54.2	27%	0.27	28%	0.283	S	S	.	.			trans	-72.4	142.8	-169.1	58.6	0	0	0	0	111.8	E68 N72 Y76 Y78	E68-T74 PolarHBondContact OE1-OG1 3.46Å; N72-T74 HydrophobicContact CB-CG2 3.65Å; N72-T74 PolarHBondContact O-N 3.46Å; N72-T74 VanDerWaalsContact O-N 3.09Å; T74-Y76 PolarHBondContact O-N 2.96Å; T74-Y76 VanDerWaalsContact O-N 3.13Å; T74-Y78 WeakPolarHBondContact O-CD2 3.38Å; T74-Y78 WeakPolarHBondContact O-CE2 3.26Å
75	T	52	Low	59.8	Low	115 Å²	115	57.5 Å²	57.5	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-57.7	-21.1	171.3	31.8	0	0	0	0	113	Y78 V79	T75-Y78 WeakPolarHBondContact O-CB 3.34Å; T75-Y78 PolarHBondContact O-N 3.26Å; T75-Y78 VanDerWaalsContact O-N 3.12Å; T75-V79 PolarHBondContact O-N 3.32Å
76	Y	55.9	Low	58.9	Low	89 Å²	89	63.6 Å²	63.6	35%	0.349	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-47.5	-173.1	-148.3	-92.3	0	0	0	112.6	D7 Y10 T74 Y78 V79 I80	D7-Y76 PolarHBondContact OD1-OH 3.25Å; Y10-Y76 HydrophobicContact CD1-CE1 4.07Å; Y10-Y76 WeakPolarHBondContact CD1-OH 3.45Å; Y10-Y76 AromaticContact CG-CE1 3.91Å; Y10-Y76 HydrophobicContact CG-CE1 3.91Å; T74-Y76 PolarHBondContact O-N 2.96Å; T74-Y76 VanDerWaalsContact O-N 3.13Å; Y76-Y78 PolarHBondContact O-N 3.07Å; Y76-Y78 VanDerWaalsContact O-N 3.16Å; Y76-V79 PolarHBondContact O-N 3.23Å; Y76-I80 HydrophobicContact CD1-CD1 4.15Å; Y76-I80 HydrophobicContact CE1-CD1 4.34Å; Y76-I80 WeakPolarHBondContact O-CG1 3.2Å
77	G	56.4	Low	58.1	Low	2 Å²	2	64.7 Å²	64.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-28.2	174.5	0	0	0	0	0	113.3	L81	G77-L81 PolarHBondContact O-N 3.42Å
78	Y	55.3	Low	57.6	Low	23 Å²	23	61 Å²	61	9%	0.09	31%	0.312	C	S	.	.	H	α-helix	trans	-79	-37.4	-179.1	-61.9	-73.7	0	0	0	114	I69 T74 T75 Y76 I80 L81 R82 I100 L107 V111	I69-Y78 HydrophobicContact CG2-CE1 4.38Å; I69-Y78 HydrophobicContact CG2-CE2 4.32Å; I69-Y78 WeakPolarHBondContact CG2-OH 3.41Å; T74-Y78 WeakPolarHBondContact O-CD2 3.38Å; T74-Y78 WeakPolarHBondContact O-CE2 3.26Å; T75-Y78 WeakPolarHBondContact O-CB 3.34Å; T75-Y78 PolarHBondContact O-N 3.26Å; T75-Y78 VanDerWaalsContact O-N 3.12Å; Y76-Y78 PolarHBondContact O-N 3.07Å; Y76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-I80 PolarHBondContact O-N 3.24Å; Y78-L81 HydrophobicContact CD1-CD1 4.21Å; Y78-L81 PolarHBondContact O-N 3.32Å; Y78-R82 PolarHBondContact O-N 3.42Å; Y78-R82 VanDerWaalsContact O-N 3.15Å; Y78-I100 HydrophobicContact CE1-CD1 4.02Å; Y78-L107 HydrophobicContact CE2-CD2 3.96Å; Y78-L107 HydrophobicContact CE2-CG 4.5Å; Y78-L107 VanDerWaalsContact OH-CD2 3.26Å; Y78-L107 WeakPolarHBondContact OH-CD2 3.46Å; Y78-L107 WeakPolarHBondContact OH-CG 3.38Å; Y78-V111 HydrophobicContact CD1-CB 4.05Å; Y78-V111 HydrophobicContact CD1-CG1 3.49Å; Y78-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y78-V111 HydrophobicContact CD1-CG2 3.93Å; Y78-V111 HydrophobicContact CE1-CB 3.97Å; Y78-V111 HydrophobicContact CE1-CG1 3.91Å; Y78-V111 HydrophobicContact CE1-CG2 3.75Å; Y78-V111 HydrophobicContact CG-CG1 4.3Å; Y78-V111 HydrophobicContact CG-CG2 4.46Å
79	V	57.6	Low	57.1	Low	76 Å²	76	63.1 Å²	63.1	46%	0.461	32%	0.319	S	S	.	.	H	α-helix	trans	-56.8	-35.1	172.8	174.9	0	0	0	0	109.9	T75 Y76 Q83	T75-V79 PolarHBondContact O-N 3.32Å; Y76-V79 PolarHBondContact O-N 3.23Å; V79-Q83 PolarHBondContact O-N 2.99Å
80	I	54.2	Low	56.9	Low	7 Å²	7	71 Å²	71	4%	0.036	35%	0.353	C	S	.	.	H	α-helix	trans	-73.3	-43.5	-179.6	-60.8	176.8	0	0	0	111.6	Y10 M13 F65 Y76 Y78 R82 Q83 C84	Y10-I80 HydrophobicContact CD2-CD1 3.38Å; Y10-I80 HydrophobicContact CD2-CG1 3.41Å; Y10-I80 VanDerWaalsContact CD2-CG1 3.41Å; Y10-I80 HydrophobicContact CE2-CD1 4.23Å; Y10-I80 HydrophobicContact CE2-CG1 3.77Å; Y10-I80 HydrophobicContact CG-CD1 3.96Å; Y10-I80 HydrophobicContact CG-CG1 4.41Å; M13-I80 HydrophobicContact CE-CG2 4.12Å; F65-I80 HydrophobicContact CD1-CD1 4.17Å; F65-I80 HydrophobicContact CE1-CD1 3.24Å; F65-I80 HydrophobicContact CE2-CD1 4.37Å; F65-I80 HydrophobicContact CE2-CG2 4.1Å; F65-I80 HydrophobicContact CZ-CD1 3.38Å; F65-I80 HydrophobicContact CZ-CG2 4.11Å; Y76-I80 HydrophobicContact CD1-CD1 4.15Å; Y76-I80 HydrophobicContact CE1-CD1 4.34Å; Y76-I80 WeakPolarHBondContact O-CG1 3.2Å; Y78-I80 PolarHBondContact O-N 3.24Å; I80-R82 VanDerWaalsContact C-N 3.25Å; I80-R82 PolarHBondContact O-N 3.02Å; I80-Q83 PolarHBondContact O-N 3.44Å; I80-Q83 VanDerWaalsContact O-N 3.13Å; I80-C84 WeakPolarHBondContact O-CB 3.43Å; I80-C84 PolarHBondContact O-N 3.45Å; I80-C84 PolarHBondContact O-SG 3.04Å
81	L	57	Low	56.5	Low	4 Å²	4	70.3 Å²	70.3	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-56.2	-41.6	173.9	-80.2	166.6	0	0	0	112.1	I69 G77 Y78 Q83 C84 R85 V93 I96 I100 L115	I69-L81 HydrophobicContact CD1-CD1 4.28Å; G77-L81 PolarHBondContact O-N 3.42Å; Y78-L81 HydrophobicContact CD1-CD1 4.21Å; Y78-L81 PolarHBondContact O-N 3.32Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 2.89Å; L81-C84 PolarHBondContact O-N 2.83Å; L81-R85 PolarHBondContact O-N 3.46Å; L81-R85 VanDerWaalsContact O-N 3.15Å; L81-V93 HydrophobicContact CD2-CB 4.29Å; L81-V93 HydrophobicContact CD2-CG1 3.96Å; L81-V93 HydrophobicContact CD2-CG2 4.38Å; L81-I96 HydrophobicContact CD1-CG2 3.83Å; L81-I96 HydrophobicContact CD2-CB 3.86Å; L81-I96 HydrophobicContact CD2-CD1 3.81Å; L81-I96 HydrophobicContact CD2-CG1 4.46Å; L81-I96 HydrophobicContact CD2-CG2 3.8Å; L81-I96 HydrophobicContact CG-CG2 4.2Å; L81-I100 HydrophobicContact CD1-CD1 4.17Å; L81-L115 HydrophobicContact CB-CD1 4.32Å
82	R	57.4	Low	56.1	Low	195 Å²	195	66.5 Å²	66.5	74%	0.736	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-41.3	177.4	-168.5	179.6	179.4	-163.5	0.3	111.9	Y78 I80 L115	Y78-R82 PolarHBondContact O-N 3.42Å; Y78-R82 VanDerWaalsContact O-N 3.15Å; I80-R82 VanDerWaalsContact C-N 3.25Å; I80-R82 PolarHBondContact O-N 3.02Å; R82-L115 HydrophobicContact CB-CD2 3.89Å; R82-L115 HydrophobicContact CG-CD2 3.91Å
83	Q	55.1	Low	56.1	Low	89 Å²	89	61.2 Å²	61.2	42%	0.416	30%	0.297	S	S	.	.	H	α-helix	trans	-75.1	-36	178	-69	-170.8	-15.8	0	0	112.5	V79 I80 L81 R85	V79-Q83 PolarHBondContact O-N 2.99Å; I80-Q83 PolarHBondContact O-N 3.44Å; I80-Q83 VanDerWaalsContact O-N 3.13Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 2.89Å; Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 3.26Å
84	C	52.7	Low	56.5	Low	6 Å²	6	60.9 Å²	60.9	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-23	179.7	-68.2	0	0	0	0	114	M13 F17 I80 L81 L86 M87 C88 V93	M13-C84 WeakPolarHBondContact CE-SG 3.37Å; F17-C84 VanDerWaalsContact CE2-SG 3.57Å; I80-C84 WeakPolarHBondContact O-CB 3.43Å; I80-C84 PolarHBondContact O-N 3.45Å; I80-C84 PolarHBondContact O-SG 3.04Å; L81-C84 PolarHBondContact O-N 2.83Å; C84-L86 PolarHBondContact O-N 3.3Å; C84-M87 PolarHBondContact O-N 3.16Å; C84-C88 PolarHBondContact O-N 3.35Å; C84-C88 VanDerWaalsContact O-N 3.15Å; C84-V93 HydrophobicContact CB-CG2 3.76Å
85	R	52.4	Low	57	Low	131 Å²	131	61.8 Å²	61.8	49%	0.494	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-36.8	-179.3	177.4	177.7	165.2	-174.2	-9.1	112.5	L81 Q83 M87 L115	L81-R85 PolarHBondContact O-N 3.46Å; L81-R85 VanDerWaalsContact O-N 3.15Å; Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 3.26Å; R85-M87 VanDerWaalsContact C-N 3.29Å; R85-M87 PolarHBondContact O-N 2.93Å; R85-L115 PolarHBondContact NH1-O 2.77Å
86	L	49.4	Very low	57.6	Low	133 Å²	133	56.7 Å²	56.7	70%	0.696	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.8	-174.5	-75.5	168.5	0	0	0	113.7	Y47 R51 C84	Y47-L86 PolarHBondContact OH-O 3.2Å; R51-L86 PolarHBondContact NH2-O 3.07Å; C84-L86 PolarHBondContact O-N 3.3Å
87	M	52.3	Low	58.1	Low	32 Å²	32	52.5 Å²	52.5	16%	0.158	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-42.7	-170.3	-66.5	-85.5	-94.4	0	0	113.5	F17 K20 I24 Y47 R51 C84 R85	F17-M87 HydrophobicContact CD1-CB 4.24Å; F17-M87 HydrophobicContact CD1-CG 4.33Å; F17-M87 HydrophobicContact CE1-CB 4.09Å; K20-M87 HydrophobicContact CB-CE 3.47Å; K20-M87 VanDerWaalsContact CB-CE 3.47Å; K20-M87 HydrophobicContact CG-CE 4.38Å; I24-M87 HydrophobicContact CD1-CE 4.01Å; I24-M87 HydrophobicContact CD1-SD 4.14Å; Y47-M87 HydrophobicContact CE2-SD 3.85Å; R51-M87 WeakPolarHBondContact CG-O 3.44Å; R51-M87 PolarHBondContact NE-O 3.07Å; R51-M87 PolarHBondContact NH2-O 2.92Å; C84-M87 PolarHBondContact O-N 3.16Å; R85-M87 VanDerWaalsContact C-N 3.29Å; R85-M87 PolarHBondContact O-N 2.93Å
88	C	60.1	Low	58.7	Low	4 Å²	4	56.6 Å²	56.6	3%	0.027	26%	0.261	C	S	.	.			trans	-130	48.9	-165	-42.7	0	0	0	0	111.8	C54 C84 S92 V93	C54-C88 HydrophobicContact CB-CB 4.12Å; C54-C88 WeakPolarHBondContact CB-SG 3.26Å; C54-C88 WeakPolarHBondContact SG-CB 3.34Å; C54-C88 CovalentContact SG-SG 2.03Å; C54-C88 PolarHBondContact SG-SG 2.88Å; C84-C88 PolarHBondContact O-N 3.35Å; C84-C88 VanDerWaalsContact O-N 3.15Å; C88-S92 WeakPolarHBondContact CB-OG 3.27Å; C88-S92 WeakPolarHBondContact O-CB 3.16Å; C88-S92 PolarHBondContact O-N 3.42Å; C88-S92 PolarHBondContact O-OG 3.38Å; C88-V93 PolarHBondContact O-N 3.47Å
89	Y	59	Low	59.3	Low	76 Å²	76	57.1 Å²	57.1	30%	0.298	27%	0.27	S	S	.	.	I	π-helix	trans	-57.4	-58	-173.1	-175	-97.4	0	0	0	112.7	T91 V93 L94 I117	Y89-T91 PolarHBondContact O-N 3.45Å; Y89-V93 HydrophobicContact CD2-CB 4.16Å; Y89-V93 HydrophobicContact CD2-CG1 4.08Å; Y89-V93 HydrophobicContact CE2-CG1 4.22Å; Y89-V93 PolarHBondContact O-N 2.96Å; Y89-L94 HydrophobicContact CE1-CD1 4.21Å; Y89-L94 WeakPolarHBondContact O-CB 3.41Å; Y89-L94 PolarHBondContact O-N 3.22Å; Y89-I117 HydrophobicContact CE2-CD1 3.88Å; Y89-I117 HydrophobicContact CE2-CG1 4.25Å
90	K	60.8	Low	59.7	Low	168 Å²	168	53.5 Å²	53.5	73%	0.73	25%	0.249	S	C	*	.	I	π-helix	trans	-67.4	-35.2	-176.4	-77.3	-167.1	176	-171.8	0	113.8	P95	K90-P95 WeakPolarHBondContact O-CD 3.5Å
91	T	59	Low	60.2	Low	60 Å²	60	54.9 Å²	54.9	37%	0.368	26%	0.257	S	S	.	.	I	π-helix	trans	-92.9	-22.9	-172.3	48.2	0	0	0	0	114.7	Y89	Y89-T91 PolarHBondContact O-N 3.45Å
92	S	59.2	Low	60.4	Low	1 Å²	1	61.6 Å²	61.6	1%	0.007	29%	0.294	C	S	.	.	I	π-helix	trans	-124.4	-56	-172.8	-40.7	0	0	0	0	111	C58 C88 P95 I96	C58-S92 WeakPolarHBondContact CB-OG 3.41Å; C88-S92 WeakPolarHBondContact CB-OG 3.27Å; C88-S92 WeakPolarHBondContact O-CB 3.16Å; C88-S92 PolarHBondContact O-N 3.42Å; C88-S92 PolarHBondContact O-OG 3.38Å; S92-P95 WeakPolarHBondContact O-CD 3.3Å; S92-I96 WeakPolarHBondContact O-CD1 3.46Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 3.47Å
93	V	62.3	Low	60.6	Low	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.267	C	S	.	.	I	π-helix	trans	-69.2	-44.2	-175.6	-179.5	0	0	0	0	111.5	L81 C84 C88 Y89 I96 A97 I117	L81-V93 HydrophobicContact CD2-CB 4.29Å; L81-V93 HydrophobicContact CD2-CG1 3.96Å; L81-V93 HydrophobicContact CD2-CG2 4.38Å; C84-V93 HydrophobicContact CB-CG2 3.76Å; C88-V93 PolarHBondContact O-N 3.47Å; Y89-V93 HydrophobicContact CD2-CB 4.16Å; Y89-V93 HydrophobicContact CD2-CG1 4.08Å; Y89-V93 HydrophobicContact CE2-CG1 4.22Å; Y89-V93 PolarHBondContact O-N 2.96Å; V93-I96 PolarHBondContact O-N 3.38Å; V93-A97 WeakPolarHBondContact O-CB 3.42Å; V93-A97 PolarHBondContact O-N 3.14Å; V93-I117 HydrophobicContact CG1-CD1 4.27Å
94	L	62.9	Low	60.7	Low	23 Å²	23	55.9 Å²	55.9	12%	0.12	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-45.3	-175.6	-168.5	71.7	0	0	0	112.6	Y89 I96 A97 R98 W122	Y89-L94 HydrophobicContact CE1-CD1 4.21Å; Y89-L94 WeakPolarHBondContact O-CB 3.41Å; Y89-L94 PolarHBondContact O-N 3.22Å; L94-I96 PolarHBondContact O-N 3.18Å; L94-A97 PolarHBondContact O-N 3.26Å; L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 WeakPolarHBondContact O-CG 2.97Å; L94-R98 PolarHBondContact O-N 3.09Å; L94-W122 HydrophobicContact CD1-CZ2 4.02Å
95	P	65.3	Low	61.2	Low	62 Å²	62	58.8 Å²	58.8	40%	0.403	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.3	-25	36.4	0	0	0	112.8	K90 S92 R98 A99	K90-P95 WeakPolarHBondContact O-CD 3.5Å; S92-P95 WeakPolarHBondContact O-CD 3.3Å; P95-R98 PolarHBondContact O-N 3.14Å; P95-A99 WeakPolarHBondContact O-CB 3.27Å; P95-A99 PolarHBondContact O-N 3.05Å
96	I	65.9	Low	61.5	Low	8 Å²	8	57.4 Å²	57.4	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-47.8	176	-60.4	164.5	0	0	0	110	F65 V66 I69 L81 S92 V93 L94 R98 A99 I100	F65-I96 HydrophobicContact CB-CD1 4.46Å; V66-I96 HydrophobicContact CG2-CB 4.07Å; V66-I96 HydrophobicContact CG2-CG1 3.9Å; V66-I96 HydrophobicContact CG2-CG2 4Å; I69-I96 HydrophobicContact CD1-CG2 4.16Å; L81-I96 HydrophobicContact CD1-CG2 3.83Å; L81-I96 HydrophobicContact CD2-CB 3.86Å; L81-I96 HydrophobicContact CD2-CD1 3.81Å; L81-I96 HydrophobicContact CD2-CG1 4.46Å; L81-I96 HydrophobicContact CD2-CG2 3.8Å; L81-I96 HydrophobicContact CG-CG2 4.2Å; S92-I96 WeakPolarHBondContact O-CD1 3.46Å; S92-I96 WeakPolarHBondContact O-CG1 3.4Å; S92-I96 PolarHBondContact O-N 3.47Å; V93-I96 PolarHBondContact O-N 3.38Å; L94-I96 PolarHBondContact O-N 3.18Å; I96-R98 VanDerWaalsContact C-N 3.27Å; I96-R98 PolarHBondContact O-N 3.44Å; I96-A99 PolarHBondContact O-N 2.98Å; I96-A99 VanDerWaalsContact O-N 3.08Å; I96-I100 HydrophobicContact CG2-CG2 4.24Å; I96-I100 WeakPolarHBondContact O-CG1 3.34Å; I96-I100 WeakPolarHBondContact O-CG2 3.42Å; I96-I100 PolarHBondContact O-N 3.17Å
97	A	66.4	Low	61.9	Low	1 Å²	1	54 Å²	54	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-39.7	178.5	0	0	0	0	0	112.3	V93 L94 I100 T101 L112 W122	V93-A97 WeakPolarHBondContact O-CB 3.42Å; V93-A97 PolarHBondContact O-N 3.14Å; L94-A97 PolarHBondContact O-N 3.26Å; A97-I100 WeakPolarHBondContact O-CG1 3.44Å; A97-T101 PolarHBondContact O-N 3.05Å; A97-T101 PolarHBondContact O-OG1 3.36Å; A97-L112 HydrophobicContact CB-CD1 4.41Å; A97-L112 HydrophobicContact CB-CD2 3.58Å; A97-W122 HydrophobicContact CB-CH2 3.84Å; A97-W122 HydrophobicContact CB-CZ2 4.3Å
98	R	68.3	Low	62.3	Low	88 Å²	88	52.4 Å²	52.4	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-41	173.6	-76.7	-178.4	-179.5	169.8	5.1	112.9	L94 P95 I96 T101 W122 E125	L94-R98 WeakPolarHBondContact O-CB 3.33Å; L94-R98 WeakPolarHBondContact O-CG 2.97Å; L94-R98 PolarHBondContact O-N 3.09Å; P95-R98 PolarHBondContact O-N 3.14Å; I96-R98 VanDerWaalsContact C-N 3.27Å; I96-R98 PolarHBondContact O-N 3.44Å; R98-T101 VanDerWaalsContact C-OG1 3.31Å; R98-T101 VanDerWaalsContact CA-OG1 3.25Å; R98-T101 WeakPolarHBondContact CA-OG1 3.39Å; R98-T101 PolarHBondContact O-OG1 3.47Å; R98-W122 HydrophobicContact CG-CE3 4.32Å; R98-W122 HydrophobicContact CG-CH2 4.17Å; R98-W122 HydrophobicContact CG-CZ3 3.78Å; R98-E125 IonicContact CZ-OE1 3.17Å; R98-E125 VanDerWaalsContact CZ-OE1 3.24Å; R98-E125 IonicContact CZ-OE2 3.7Å; R98-E125 IonicContact NH1-OE1 3.01Å; R98-E125 PolarHBondContact NH1-OE1 3.15Å; R98-E125 IonicContact NH1-OE2 2.65Å; R98-E125 PolarHBondContact NH1-OE2 2.86Å; R98-E125 IonicContact NH2-OE1 3.17Å; R98-E125 PolarHBondContact NH2-OE1 3.37Å; R98-E125 IonicContact NH2-OE2 2.72Å
99	A	68	Low	62.4	Low	34 Å²	34	53 Å²	53	28%	0.281	29%	0.29	S	S	.	.	H	α-helix	trans	-68.3	-36.1	179.7	0	0	0	0	0	112.2	V66 P95 I96	V66-A99 HydrophobicContact CB-CB 4.26Å; V66-A99 HydrophobicContact CG1-CB 3.48Å; V66-A99 VanDerWaalsContact CG1-CB 3.48Å; V66-A99 HydrophobicContact CG2-CB 3.66Å; P95-A99 WeakPolarHBondContact O-CB 3.27Å; P95-A99 PolarHBondContact O-N 3.05Å; I96-A99 PolarHBondContact O-N 2.98Å; I96-A99 VanDerWaalsContact O-N 3.08Å
100	I	65.6	Low	62.4	Low	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-85.5	-14.3	-178.6	69.7	179	0	0	0	113.8	I69 Y78 L81 I96 A97 N102 H103	I69-I100 HydrophobicContact CB-CG2 4.09Å; I69-I100 HydrophobicContact CD1-CG2 4.14Å; I69-I100 HydrophobicContact CG2-CB 4.34Å; I69-I100 HydrophobicContact CG2-CG2 3.59Å; Y78-I100 HydrophobicContact CE1-CD1 4.02Å; L81-I100 HydrophobicContact CD1-CD1 4.17Å; I96-I100 HydrophobicContact CG2-CG2 4.24Å; I96-I100 WeakPolarHBondContact O-CG1 3.34Å; I96-I100 WeakPolarHBondContact O-CG2 3.42Å; I96-I100 PolarHBondContact O-N 3.17Å; A97-I100 WeakPolarHBondContact O-CG1 3.44Å; I100-N102 PolarHBondContact O-N 2.8Å; I100-H103 WeakPolarHBondContact O-CB 3.36Å; I100-H103 PolarHBondContact O-N 2.71Å; I100-H103 VanDerWaalsContact O-N 3.07Å
101	T	65.3	Low	62.2	Low	36 Å²	36	49.5 Å²	49.5	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-31.3	179.5	4.6	0	0	0	0	111.7	A97 R98 H103 L112 I119 W122	A97-T101 PolarHBondContact O-N 3.05Å; A97-T101 PolarHBondContact O-OG1 3.36Å; R98-T101 VanDerWaalsContact C-OG1 3.31Å; R98-T101 VanDerWaalsContact CA-OG1 3.25Å; R98-T101 WeakPolarHBondContact CA-OG1 3.39Å; R98-T101 PolarHBondContact O-OG1 3.47Å; T101-H103 PolarHBondContact O-N 3.47Å; T101-L112 HydrophobicContact CG2-CD1 3.55Å; T101-I119 HydrophobicContact CG2-CD1 4.39Å; T101-I119 HydrophobicContact CG2-CG2 3.82Å; T101-W122 HydrophobicContact CG2-CH2 4.46Å; T101-W122 HydrophobicContact CG2-CZ3 4.04Å
102	N	61.8	Low	62.3	Low	146 Å²	146	46.8 Å²	46.8	78%	0.781	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	5.2	175.5	-65.8	-20.1	0	0	0	113.1	I100	I100-N102 PolarHBondContact O-N 2.8Å
103	H	60.4	Low	62.4	Low	37 Å²	37	50.1 Å²	50.1	17%	0.171	29%	0.289	C	S	.	.			trans	-67.8	130.7	179.6	-169.2	-92.3	0	0	0	110.7	L70 I100 T101 S105 N106	L70-H103 HydrophobicContact CD2-CB 4.26Å; I100-H103 WeakPolarHBondContact O-CB 3.36Å; I100-H103 PolarHBondContact O-N 2.71Å; I100-H103 VanDerWaalsContact O-N 3.07Å; T101-H103 PolarHBondContact O-N 3.47Å; H103-S105 PolarHBondContact CE1-OG 2.97Å; H103-S105 VanDerWaalsContact CE1-OG 3.25Å; H103-S105 PolarHBondContact ND1-N 2.03Å; H103-S105 PolarHBondContact ND1-OG 3.06Å; H103-S105 PolarHBondContact O-N 3.26Å; H103-N106 PolarHBondContact O-N 3.28Å
104	P	57.9	Low	61.9	Low	126 Å²	126	55.9 Å²	55.9	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.9	-171	-25.6	32.6	0	0	0	115	N106	P104-N106 PolarHBondContact O-N 3.47Å
105	S	62.3	Low	61.2	Low	67 Å²	67	55.5 Å²	55.5	47%	0.469	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-0	-175.7	67.4	0	0	0	0	114.7	H103 L107	H103-S105 PolarHBondContact CE1-OG 2.97Å; H103-S105 VanDerWaalsContact CE1-OG 3.25Å; H103-S105 PolarHBondContact ND1-N 2.03Å; H103-S105 PolarHBondContact ND1-OG 3.06Å; H103-S105 PolarHBondContact O-N 3.26Å; S105-L107 PolarHBondContact O-N 2.94Å; S105-L107 WeakPolarHBondContact OG-CB 3.25Å; S105-L107 PolarHBondContact OG-N 3.44Å
106	N	58.8	Low	60.5	Low	102 Å²	102	55.6 Å²	55.6	55%	0.545	33%	0.334	S	S	.	.	S	Bend	trans	54.7	12.8	-172.1	-164.8	12.3	0	0	0	113.5	H103 P104 G108 G109 K110	H103-N106 PolarHBondContact O-N 3.28Å; P104-N106 PolarHBondContact O-N 3.47Å; N106-G108 VanDerWaalsContact C-N 3.27Å; N106-G108 PolarHBondContact O-N 3.33Å; N106-G109 PolarHBondContact O-N 3.29Å; N106-K110 PolarHBondContact O-N 3.02Å
107	L	58.9	Low	59.9	Low	61 Å²	61	55.8 Å²	55.8	32%	0.319	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-36.3	179.5	-168.3	67.6	0	0	0	110.1	Y78 S105 G109 K110 V111	Y78-L107 HydrophobicContact CE2-CD2 3.96Å; Y78-L107 HydrophobicContact CE2-CG 4.5Å; Y78-L107 VanDerWaalsContact OH-CD2 3.26Å; Y78-L107 WeakPolarHBondContact OH-CD2 3.46Å; Y78-L107 WeakPolarHBondContact OH-CG 3.38Å; S105-L107 PolarHBondContact O-N 2.94Å; S105-L107 WeakPolarHBondContact OG-CB 3.25Å; S105-L107 PolarHBondContact OG-N 3.44Å; L107-G109 PolarHBondContact O-N 2.88Å; L107-K110 PolarHBondContact O-N 3.4Å; L107-V111 HydrophobicContact CG-CG2 4.49Å; L107-V111 WeakPolarHBondContact O-CB 3.17Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 2.91Å
108	G	60.6	Low	59.6	Low	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-54.5	-49.6	172.9	0	0	0	0	0	112.7	N106 V111 L112	N106-G108 VanDerWaalsContact C-N 3.27Å; N106-G108 PolarHBondContact O-N 3.33Å; G108-V111 PolarHBondContact O-N 2.81Å; G108-L112 VanDerWaalsContact O-CG 3.27Å; G108-L112 WeakPolarHBondContact O-CG 3.27Å; G108-L112 PolarHBondContact O-N 3.48Å
109	G	61.2	Low	58.8	Low	16 Å²	16	59.6 Å²	59.6	17%	0.165	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-46.4	-179.4	0	0	0	0	0	113.4	N106 L107 V111 L112 A113	N106-G109 PolarHBondContact O-N 3.29Å; L107-G109 PolarHBondContact O-N 2.88Å; G109-V111 VanDerWaalsContact C-N 3.31Å; G109-V111 PolarHBondContact O-N 3.44Å; G109-L112 PolarHBondContact O-N 3.35Å; G109-A113 PolarHBondContact O-N 2.8Å; G109-A113 VanDerWaalsContact O-N 3.15Å
110	K	58.8	Low	58.1	Low	144 Å²	144	62.3 Å²	62.3	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-60.9	-40.2	177.2	-72.7	-177.8	178.8	176.5	0	112.2	N106 L107 A113 T114	N106-K110 PolarHBondContact O-N 3.02Å; L107-K110 PolarHBondContact O-N 3.4Å; K110-A113 PolarHBondContact O-N 2.92Å; K110-T114 PolarHBondContact O-N 2.95Å; K110-T114 PolarHBondContact O-OG1 2.68Å
111	V	57.1	Low	57.3	Low	27 Å²	27	65.8 Å²	65.8	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-72.5	-40.6	-179.3	175.7	0	0	0	0	111.8	Y78 L107 G108 G109 A113 T114 L115	Y78-V111 HydrophobicContact CD1-CB 4.05Å; Y78-V111 HydrophobicContact CD1-CG1 3.49Å; Y78-V111 VanDerWaalsContact CD1-CG1 3.49Å; Y78-V111 HydrophobicContact CD1-CG2 3.93Å; Y78-V111 HydrophobicContact CE1-CB 3.97Å; Y78-V111 HydrophobicContact CE1-CG1 3.91Å; Y78-V111 HydrophobicContact CE1-CG2 3.75Å; Y78-V111 HydrophobicContact CG-CG1 4.3Å; Y78-V111 HydrophobicContact CG-CG2 4.46Å; L107-V111 HydrophobicContact CG-CG2 4.49Å; L107-V111 WeakPolarHBondContact O-CB 3.17Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 2.91Å; G108-V111 PolarHBondContact O-N 2.81Å; G109-V111 VanDerWaalsContact C-N 3.31Å; G109-V111 PolarHBondContact O-N 3.44Å; V111-A113 VanDerWaalsContact C-N 3.25Å; V111-A113 PolarHBondContact O-N 3.24Å; V111-T114 WeakPolarHBondContact O-CA 3.25Å; V111-T114 WeakPolarHBondContact O-CB 3.12Å; V111-T114 PolarHBondContact O-N 3.25Å; V111-T114 PolarHBondContact O-OG1 3.15Å; V111-L115 HydrophobicContact CG1-CD1 4.2Å; V111-L115 HydrophobicContact CG1-CG 4.4Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.06Å
112	L	60.9	Low	56.5	Low	3 Å²	3	67.9 Å²	67.9	2%	0.016	41%	0.411	C	S	.	.	H	α-helix	trans	-59.7	-39	175.6	-69.5	176.6	0	0	0	111.6	A97 T101 G108 G109 T114 L115 G116 I117 I119 W122	A97-L112 HydrophobicContact CB-CD1 4.41Å; A97-L112 HydrophobicContact CB-CD2 3.58Å; T101-L112 HydrophobicContact CG2-CD1 3.55Å; G108-L112 VanDerWaalsContact O-CG 3.27Å; G108-L112 WeakPolarHBondContact O-CG 3.27Å; G108-L112 PolarHBondContact O-N 3.48Å; G109-L112 PolarHBondContact O-N 3.35Å; L112-T114 VanDerWaalsContact C-N 3.33Å; L112-T114 PolarHBondContact O-N 3.34Å; L112-L115 CarbonylContact O-C 3.25Å; L112-L115 PolarHBondContact O-N 3.15Å; L112-L115 VanDerWaalsContact O-N 3.15Å; L112-G116 PolarHBondContact O-N 3.07Å; L112-G116 VanDerWaalsContact O-N 3.13Å; L112-I117 CarbonylContact C-O 3.11Å; L112-I117 HydrophobicContact CB-CB 4.2Å; L112-I117 HydrophobicContact CD2-CB 4.12Å; L112-I117 HydrophobicContact CD2-CD1 3.84Å; L112-I117 HydrophobicContact CD2-CG2 4.17Å; L112-I117 PolarHBondContact O-N 3.15Å; L112-I119 HydrophobicContact CD1-CG2 3.44Å; L112-I119 VanDerWaalsContact CD1-CG2 3.44Å; L112-W122 HydrophobicContact CD1-CH2 3.86Å; L112-W122 HydrophobicContact CD1-CZ2 4.36Å
113	A	61	Low	55.5	Low	71 Å²	71	66.7 Å²	66.7	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-60.3	-40.8	171.7	0	0	0	0	0	112.3	G109 K110 V111 L115 G116	G109-A113 PolarHBondContact O-N 2.8Å; G109-A113 VanDerWaalsContact O-N 3.15Å; K110-A113 PolarHBondContact O-N 2.92Å; V111-A113 VanDerWaalsContact C-N 3.25Å; V111-A113 PolarHBondContact O-N 3.24Å; A113-L115 VanDerWaalsContact C-N 3.26Å; A113-L115 PolarHBondContact O-N 3.37Å; A113-G116 PolarHBondContact O-N 2.85Å
114	T	52	Low	54.5	Low	121 Å²	121	72.1 Å²	72.1	74%	0.742	44%	0.439	S	S	*	.	H	α-helix	trans	-67.1	-29.3	177.1	-23.2	0	0	0	0	112.4	K110 V111 L112 G116	K110-T114 PolarHBondContact O-N 2.95Å; K110-T114 PolarHBondContact O-OG1 2.68Å; V111-T114 WeakPolarHBondContact O-CA 3.25Å; V111-T114 WeakPolarHBondContact O-CB 3.12Å; V111-T114 PolarHBondContact O-N 3.25Å; V111-T114 PolarHBondContact O-OG1 3.15Å; L112-T114 VanDerWaalsContact C-N 3.33Å; L112-T114 PolarHBondContact O-N 3.34Å; T114-G116 VanDerWaalsContact C-N 3.26Å
115	L	48.2	Very low	53.6	Low	16 Å²	16	73.2 Å²	73.2	8%	0.084	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.9	174.2	-64.7	176.9	0	0	0	113	L81 R82 R85 V111 L112 A113 I117	L81-L115 HydrophobicContact CB-CD1 4.32Å; R82-L115 HydrophobicContact CB-CD2 3.89Å; R82-L115 HydrophobicContact CG-CD2 3.91Å; R85-L115 PolarHBondContact NH1-O 2.77Å; V111-L115 HydrophobicContact CG1-CD1 4.2Å; V111-L115 HydrophobicContact CG1-CG 4.4Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 3.06Å; L112-L115 CarbonylContact O-C 3.25Å; L112-L115 PolarHBondContact O-N 3.15Å; L112-L115 VanDerWaalsContact O-N 3.15Å; A113-L115 VanDerWaalsContact C-N 3.26Å; A113-L115 PolarHBondContact O-N 3.37Å; L115-I117 HydrophobicContact CB-CD1 4.05Å; L115-I117 HydrophobicContact CB-CG1 4.13Å; L115-I117 HydrophobicContact CD1-CD1 4.36Å; L115-I117 PolarHBondContact O-N 3.4Å
116	G	52.1	Low	52.3	Low	63 Å²	63	75.6 Å²	75.6	65%	0.649	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.3	-175.7	0	0	0	0	0	113.7	L112 A113 T114	L112-G116 PolarHBondContact O-N 3.07Å; L112-G116 VanDerWaalsContact O-N 3.13Å; A113-G116 PolarHBondContact O-N 2.85Å; T114-G116 VanDerWaalsContact C-N 3.26Å
117	I	53.2	Low	51.2	Low	13 Å²	13	77.5 Å²	77.5	7%	0.067	46%	0.456	C	S	.	.			trans	-94.4	107.5	177.1	-59.7	172.3	0	0	0	107.5	Y89 V93 L112 L115 W122	Y89-I117 HydrophobicContact CE2-CD1 3.88Å; Y89-I117 HydrophobicContact CE2-CG1 4.25Å; V93-I117 HydrophobicContact CG1-CD1 4.27Å; L112-I117 CarbonylContact C-O 3.11Å; L112-I117 HydrophobicContact CB-CB 4.2Å; L112-I117 HydrophobicContact CD2-CB 4.12Å; L112-I117 HydrophobicContact CD2-CD1 3.84Å; L112-I117 HydrophobicContact CD2-CG2 4.17Å; L112-I117 PolarHBondContact O-N 3.15Å; L115-I117 HydrophobicContact CB-CD1 4.05Å; L115-I117 HydrophobicContact CB-CG1 4.13Å; L115-I117 HydrophobicContact CD1-CD1 4.36Å; L115-I117 PolarHBondContact O-N 3.4Å; I117-W122 HydrophobicContact CG2-CZ2 3.69Å
118	N	59.2	Low	49.7	Very low	98 Å²	98	82.6 Å²	82.6	52%	0.524	48%	0.483	S	S	.	.			trans	-86.2	112.4	175.6	-173.5	4.2	0	0	0	110.7	S120 A121	N118-S120 VanDerWaalsContact C-N 3.32Å; N118-S120 VanDerWaalsContact CG-OG 3.3Å; N118-S120 PolarHBondContact ND2-OG 2.97Å; N118-S120 PolarHBondContact OD1-N 3.4Å; N118-S120 PolarHBondContact OD1-OG 3.34Å; N118-A121 PolarHBondContact O-N 3.34Å
119	I	52.3	Low	48.2	Very low	71 Å²	71	88.3 Å²	88.3	36%	0.364	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-71.1	-21.6	177	49.4	172.9	0	0	0	113.5	T101 L112 A121 W122	T101-I119 HydrophobicContact CG2-CD1 4.39Å; T101-I119 HydrophobicContact CG2-CG2 3.82Å; L112-I119 HydrophobicContact CD1-CG2 3.44Å; L112-I119 VanDerWaalsContact CD1-CG2 3.44Å; I119-A121 PolarHBondContact O-N 3.5Å; I119-W122 HydrophobicContact CB-CD2 4.26Å; I119-W122 HydrophobicContact CB-CE3 4.33Å; I119-W122 HydrophobicContact CG2-CD2 3.95Å; I119-W122 HydrophobicContact CG2-CE3 3.87Å; I119-W122 HydrophobicContact CG2-CH2 3.75Å; I119-W122 HydrophobicContact CG2-CZ2 3.83Å; I119-W122 HydrophobicContact CG2-CZ3 3.76Å; I119-W122 WeakPolarHBondContact O-CB 3.16Å; I119-W122 PolarHBondContact O-N 3.4Å
120	S	53.1	Low	46.6	Very low	91 Å²	91	94.6 Å²	94.6	64%	0.636	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.3	175.9	66.9	0	0	0	0	113	N118 W122	N118-S120 VanDerWaalsContact C-N 3.32Å; N118-S120 VanDerWaalsContact CG-OG 3.3Å; N118-S120 PolarHBondContact ND2-OG 2.97Å; N118-S120 PolarHBondContact OD1-N 3.4Å; N118-S120 PolarHBondContact OD1-OG 3.34Å; S120-W122 PolarHBondContact O-N 2.98Å
121	A	47.9	Very low	45	Very low	72 Å²	72	92.6 Å²	92.6	60%	0.595	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-79.2	-4	169.8	0	0	0	0	0	112.9	N118 I119 T123	N118-A121 PolarHBondContact O-N 3.34Å; I119-A121 PolarHBondContact O-N 3.5Å; A121-T123 PolarHBondContact O-N 2.95Å; A121-T123 VanDerWaalsContact O-N 3.1Å
122	W	48.9	Very low	43.4	Very low	81 Å²	81	97.7 Å²	97.7	31%	0.307	58%	0.581	S	S	.	*			trans	-87.1	64.6	178.1	-58.5	1.6	0	0	0	109.5	L94 A97 R98 T101 L112 I117 I119 S120	L94-W122 HydrophobicContact CD1-CZ2 4.02Å; A97-W122 HydrophobicContact CB-CH2 3.84Å; A97-W122 HydrophobicContact CB-CZ2 4.3Å; R98-W122 HydrophobicContact CG-CE3 4.32Å; R98-W122 HydrophobicContact CG-CH2 4.17Å; R98-W122 HydrophobicContact CG-CZ3 3.78Å; T101-W122 HydrophobicContact CG2-CH2 4.46Å; T101-W122 HydrophobicContact CG2-CZ3 4.04Å; L112-W122 HydrophobicContact CD1-CH2 3.86Å; L112-W122 HydrophobicContact CD1-CZ2 4.36Å; I117-W122 HydrophobicContact CG2-CZ2 3.69Å; I119-W122 HydrophobicContact CB-CD2 4.26Å; I119-W122 HydrophobicContact CB-CE3 4.33Å; I119-W122 HydrophobicContact CG2-CD2 3.95Å; I119-W122 HydrophobicContact CG2-CE3 3.87Å; I119-W122 HydrophobicContact CG2-CH2 3.75Å; I119-W122 HydrophobicContact CG2-CZ2 3.83Å; I119-W122 HydrophobicContact CG2-CZ3 3.76Å; I119-W122 WeakPolarHBondContact O-CB 3.16Å; I119-W122 PolarHBondContact O-N 3.4Å; S120-W122 PolarHBondContact O-N 2.98Å
123	T	40.5	Very low	41.5	Very low	121 Å²	121	103.2 Å²	103.2	74%	0.742	61%	0.614	S	S	*	*			trans	-79.8	138.6	165.2	51.3	0	0	0	0	109	A121	A121-T123 PolarHBondContact O-N 2.95Å; A121-T123 VanDerWaalsContact O-N 3.1Å
124	D	39.2	Very low	39.7	Very low	151 Å²	151	106.1 Å²	106.1	81%	0.807	63%	0.625	S	S	*	*			trans	-25.8	129.6	-173.1	-72.7	-47.3	0	0	0	117.3	T126	D124-T126 PolarHBondContact O-N 3.21Å
125	E	40	Very low	38.3	Very low	149 Å²	149	106.6 Å²	106.6	70%	0.696	63%	0.627	S	S	*	*	S	Bend	trans	-71.2	58.6	177.9	-72.4	-169	137.7	0	0	114.1	R98	R98-E125 IonicContact CZ-OE1 3.17Å; R98-E125 VanDerWaalsContact CZ-OE1 3.24Å; R98-E125 IonicContact CZ-OE2 3.7Å; R98-E125 IonicContact NH1-OE1 3.01Å; R98-E125 PolarHBondContact NH1-OE1 3.15Å; R98-E125 IonicContact NH1-OE2 2.65Å; R98-E125 PolarHBondContact NH1-OE2 2.86Å; R98-E125 IonicContact NH2-OE1 3.17Å; R98-E125 PolarHBondContact NH2-OE1 3.37Å; R98-E125 IonicContact NH2-OE2 2.72Å
126	T	35.3	Very low	37.2	Very low	117 Å²	117	110.7 Å²	110.7	72%	0.718	66%	0.657	S	S	*	*			trans	-105.2	-3.8	169	58.1	0	0	0	0	115.4	D124	D124-T126 PolarHBondContact O-N 3.21Å
127	N	34	Very low	35.9	Very low	142 Å²	142	113.3 Å²	113.3	76%	0.759	66%	0.663	S	S	*	*			trans	-124.2	89.8	-176.3	-72.6	-24.6	0	0	0	113.2	V129	N127-V129 PolarHBondContact O-N 3.28Å
128	D	28.8	Very low	34.6	Very low	167 Å²	167	121.4 Å²	121.4	89%	0.893	70%	0.701	S	S	*	*			trans	-78.4	58.2	174.9	-150.4	14.3	0	0	0	111.2
129	V	29.8	Very low	33	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	72%	0.719	S	S	*	*			trans	-107.3	106	179.1	-171.9	0	0	0	0	109.8	N127 P131	N127-V129 PolarHBondContact O-N 3.28Å; V129-P131 WeakPolarHBondContact O-CD 3.43Å
130	D	26.1	Very low	31.8	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	74%	0.741	S	S	*	*			trans	-63.1	114.5	175.4	-146.1	-0.7	0	0	0	109.3	T132	D130-T132 PolarHBondContact O-N 2.94Å
131	P	25.6	Very low	30.7	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	75%	0.751	S	S	*	*			trans	-76.7	98	-176.2	28.2	-30.3	0	0	0	110.2	V129 V133	V129-P131 WeakPolarHBondContact O-CD 3.43Å; P131-V133 PolarHBondContact O-N 2.82Å; P131-V133 VanDerWaalsContact O-N 3.16Å
132	T	22.8	Very low	30.1	Very low	133 Å²	133	138.3 Å²	138.3	82%	0.816	76%	0.76	S	S	*	*			trans	-67.8	102.3	162.1	40.1	0	0	0	0	109.4	D130 T134	D130-T132 PolarHBondContact O-N 2.94Å; T132-T134 PolarHBondContact O-N 3.44Å
133	V	22.4	Very low	29.7	Very low	120 Å²	120	139 Å²	139	73%	0.727	79%	0.792	S	S	*	*			trans	-86.8	103.7	173.5	179.5	0	0	0	0	109.2	P131 V135	P131-V133 PolarHBondContact O-N 2.82Å; P131-V133 VanDerWaalsContact O-N 3.16Å; V133-V135 HydrophobicContact CG1-CG2 4.26Å
134	T	22.9	Very low	30.4	Very low	132 Å²	132	135.8 Å²	135.8	81%	0.81	78%	0.784	S	S	*	*			trans	-79.5	117.9	163.4	26.5	0	0	0	0	109.6	T132	T132-T134 PolarHBondContact O-N 3.44Å
135	V	22.1	Very low	31.6	Very low	131 Å²	131	130.5 Å²	130.5	79%	0.794	75%	0.753	S	S	*	*			trans	-90.4	105.8	175.5	-176.6	0	0	0	0	108.5	V133	V133-V135 HydrophobicContact CG1-CG2 4.26Å
136	S	24.3	Very low	33	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	74%	0.743	S	S	*	*			trans	-95.3	128.1	167.5	-58.5	0	0	0	0	108.7	E138	S136-E138 PolarHBondContact O-N 3.36Å
137	P	26.8	Very low	35.1	Very low	119 Å²	119	124.1 Å²	124.1	77%	0.773	72%	0.721	S	S	*	*			trans	-76.5	106.5	178	29	-31	0	0	0	110.1	R139	P137-R139 PolarHBondContact O-N 2.95Å
138	E	25	Very low	37.3	Very low	183 Å²	183	119.5 Å²	119.5	86%	0.855	71%	0.707	S	S	*	*			trans	-61	114.8	167.8	-77.6	175.8	161.4	0	0	109.6	S136	S136-E138 PolarHBondContact O-N 3.36Å
139	R	24.8	Very low	40.1	Very low	243 Å²	243	112.7 Å²	112.7	92%	0.917	68%	0.677	S	S	*	*			trans	-101	89.3	163.8	-81	-176.5	177.2	178.2	-0.5	107.5	P137	P137-R139 PolarHBondContact O-N 2.95Å
140	E	27.9	Very low	43.1	Very low	175 Å²	175	108.6 Å²	108.6	82%	0.818	65%	0.65	S	S	*	*			trans	-79.8	118.1	163.4	-83.5	-173.9	153.6	0	0	109.1	D142	E140-D142 VanDerWaalsContact C-N 3.34Å; E140-D142 PolarHBondContact O-N 3.38Å
141	S	29	Very low	46.4	Very low	120 Å²	120	105.1 Å²	105.1	84%	0.839	63%	0.628	S	S	*	*			trans	-87.2	67.1	177.7	59.1	0	0	0	0	110.6
142	D	36.7	Very low	49.9	Very low	148 Å²	148	100.3 Å²	100.3	79%	0.791	60%	0.597	S	S	*	*			trans	-93.6	138.9	158.6	-95.7	-19	0	0	0	107.7	E140 G144	E140-D142 VanDerWaalsContact C-N 3.34Å; E140-D142 PolarHBondContact O-N 3.38Å; D142-G144 PolarHBondContact O-N 2.9Å
143	G	40.8	Very low	53.5	Low	95 Å²	95	94 Å²	94	98%	0.979	56%	0.558	S	S	*	*	S	Bend	trans	-65.4	31.1	-179.9	0	0	0	0	0	115.1
144	G	54.7	Low	57.1	Low	55 Å²	55	88.2 Å²	88.2	57%	0.567	52%	0.523	S	S	*	.			trans	-76.7	162.6	177.8	0	0	0	0	0	113.4	D142	D142-G144 PolarHBondContact O-N 2.9Å
145	K	63.5	Low	60.7	Low	39 Å²	39	82 Å²	82	17%	0.17	49%	0.485	C	S	.	.			trans	-57.3	124.5	174.2	-69	167.8	-176.7	159.4	0	109.3	F147 I181 H182 E184 Y197 L284	K145-F147 HydrophobicContact CB-CE1 4.49Å; K145-F147 HydrophobicContact CB-CE2 4.32Å; K145-F147 HydrophobicContact CB-CZ 4.09Å; K145-F147 VanDerWaalsContact O-CD2 3.24Å; K145-F147 WeakPolarHBondContact O-CD2 3.39Å; K145-F147 WeakPolarHBondContact O-CE2 3.15Å; K145-F147 PolarHBondContact O-N 2.87Å; K145-I181 PolarHBondContact NZ-O 2.98Å; K145-H182 PolarHBondContact NZ-O 3.3Å; K145-E184 VanDerWaalsContact CE-O 3.28Å; K145-E184 WeakPolarHBondContact CE-O 3.47Å; K145-E184 PolarHBondContact NZ-O 3.23Å; K145-Y197 HydrophobicContact CB-CD2 3.7Å; K145-Y197 HydrophobicContact CB-CE2 4.1Å; K145-Y197 HydrophobicContact CB-CG 4.37Å; K145-Y197 HydrophobicContact CG-CD2 4.14Å; K145-Y197 HydrophobicContact CG-CE2 4.09Å; K145-L284 HydrophobicContact CD-CD1 4.44Å
146	P	70.4	Confident	64.3	Low	74 Å²	74	75.8 Å²	75.8	48%	0.481	45%	0.447	S	S	.	.			trans	-70.6	104.9	177.2	27.4	-33.2	0	0	0	110	L196 Y197	P146-L196 HydrophobicContact CB-CD2 4.31Å; P146-Y197 PolarHBondContact O-N 2.9Å
147	F	78.9	Confident	67.7	Low	58 Å²	58	71.7 Å²	71.7	25%	0.254	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118	175.6	-63.7	-72.1	0	0	0	110.3	K145 N198 K199 P232 L284	K145-F147 HydrophobicContact CB-CE1 4.49Å; K145-F147 HydrophobicContact CB-CE2 4.32Å; K145-F147 HydrophobicContact CB-CZ 4.09Å; K145-F147 VanDerWaalsContact O-CD2 3.24Å; K145-F147 WeakPolarHBondContact O-CD2 3.39Å; K145-F147 WeakPolarHBondContact O-CE2 3.15Å; K145-F147 PolarHBondContact O-N 2.87Å; F147-N198 WeakPolarHBondContact CD1-O 3.5Å; F147-K199 HydrophobicContact CB-CB 4.4Å; F147-K199 HydrophobicContact CD1-CB 4.31Å; F147-P232 HydrophobicContact CD1-CG 4.25Å; F147-P232 HydrophobicContact CD2-CG 4.3Å; F147-P232 HydrophobicContact CE1-CG 3.6Å; F147-P232 HydrophobicContact CE2-CG 3.67Å; F147-P232 VanDerWaalsContact CZ-CD 3.48Å; F147-P232 HydrophobicContact CZ-CG 3.28Å; F147-L284 HydrophobicContact CE1-CD2 4.25Å
148	G	79.7	Confident	70.9	Confident	45 Å²	45	66.3 Å²	66.3	46%	0.464	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	8.5	176.1	0	0	0	0	0	114.2	L196 Y197	G148-L196 VanDerWaalsContact C-CB 3.42Å; G148-L196 WeakPolarHBondContact O-CD1 3.38Å; G148-Y197 PolarHBondContact N-O 3.24Å; G148-Y197 VanDerWaalsContact N-O 3.1Å
149	G	87.9	Confident	73.9	Confident	25 Å²	25	58.8 Å²	58.8	26%	0.258	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-144.2	168.7	0	0	0	0	0	111.3	Y197	G149-Y197 PolarHBondContact N-O 2.83Å
150	L	93.6	Very high	76.4	Confident	33 Å²	33	47.5 Å²	47.5	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	146.2	179.1	-59.7	172.5	0	0	0	111.3	I152 N198 K199 D268 Y269 P288	L150-I152 HydrophobicContact CB-CD1 4.42Å; L150-I152 HydrophobicContact CB-CG1 4.07Å; L150-N198 WeakPolarHBondContact CB-OD1 3.37Å; L150-N198 PolarHBondContact N-OD1 2.66Å; L150-N198 CarbonylContact O-C 3.6Å; L150-N198 WeakPolarHBondContact O-CA 3.49Å; L150-K199 PolarHBondContact O-N 2.73Å; L150-D268 HydrophobicContact CD2-CB 4.2Å; L150-Y269 HydrophobicContact CD1-CD2 4.06Å; L150-Y269 HydrophobicContact CD1-CE2 4.22Å; L150-Y269 HydrophobicContact CD2-CD2 4.23Å; L150-Y269 HydrophobicContact CD2-CE2 4.18Å; L150-P288 VanDerWaalsContact CD1-CD 3.44Å; L150-P288 HydrophobicContact CD1-CG 3.99Å
151	K	95.8	Very high	78.3	Confident	76 Å²	76	40.6 Å²	40.6	33%	0.33	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.9	164.8	-63.6	174.1	-174.3	169.8	0	108.7	I266 Y267 D268 Y269	K151-I266 VanDerWaalsContact CD-O 3.3Å; K151-I266 WeakPolarHBondContact CD-O 3.1Å; K151-Y267 HydrophobicContact CB-CD1 4.1Å; K151-D268 PolarHBondContact N-OD2 2.81Å; K151-D268 PolarHBondContact O-N 3.26Å; K151-Y269 PolarHBondContact O-N 2.95Å
152	I	97.8	Very high	79.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125	-178	-57.8	172.3	0	0	0	108.8	L150 N198 K199 I200 D201 Y269 F330	L150-I152 HydrophobicContact CB-CD1 4.42Å; L150-I152 HydrophobicContact CB-CG1 4.07Å; I152-N198 HydrophobicContact CD1-CB 3.96Å; I152-K199 PolarHBondContact N-O 3.3Å; I152-I200 HydrophobicContact CB-CG1 4.45Å; I152-I200 HydrophobicContact CD1-CG1 4.5Å; I152-I200 WeakPolarHBondContact O-CA 3.42Å; I152-D201 PolarHBondContact O-N 2.94Å; I152-Y269 WeakPolarHBondContact CA-O 3.42Å; I152-F330 HydrophobicContact CD1-CE2 4.04Å; I152-F330 HydrophobicContact CD1-CZ 4.11Å; I152-F330 HydrophobicContact CG1-CE2 4.41Å; I152-F330 HydrophobicContact CG1-CZ 4.5Å; I152-F330 HydrophobicContact CG2-CE2 4.02Å
153	G	98.3	Very high	81.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.3	168.3	0	0	0	0	0	110.5	Y269 F270 L271	G153-Y269 PolarHBondContact N-O 3.27Å; G153-F270 CarbonylContact O-C 3.59Å; G153-F270 VanDerWaalsContact O-CA 3.3Å; G153-F270 WeakPolarHBondContact O-CA 3.1Å; G153-F270 WeakPolarHBondContact O-CD1 2.84Å; G153-L271 PolarHBondContact O-N 3.43Å
154	V	98.7	Very high	83	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.3	172.8	-176.6	0	0	0	0	108.3	L174 I200 D201 L202 L203 L271 T273 L279	V154-L174 HydrophobicContact CG1-CD1 4.17Å; V154-I200 HydrophobicContact CG2-CG2 3.55Å; V154-D201 PolarHBondContact N-O 3.47Å; V154-L202 HydrophobicContact CB-CD1 4.16Å; V154-L202 HydrophobicContact CG1-CD1 4.1Å; V154-L203 WeakPolarHBondContact O-CA 3.39Å; V154-L203 WeakPolarHBondContact O-CB 3.33Å; V154-L203 PolarHBondContact O-N 2.94Å; V154-L271 CarbonylContact C-O 3.45Å; V154-L271 WeakPolarHBondContact CA-O 3.11Å; V154-L271 HydrophobicContact CG1-CD2 4.22Å; V154-L271 HydrophobicContact CG1-CG 4.47Å; V154-L271 HydrophobicContact CG2-CB 4.25Å; V154-L271 HydrophobicContact CG2-CD2 4.17Å; V154-T273 HydrophobicContact CG1-CG2 3.9Å; V154-L279 HydrophobicContact CG1-CD1 4.27Å; V154-L279 HydrophobicContact CG1-CD2 4.21Å; V154-L279 HydrophobicContact CG2-CD1 4.09Å
155	I	98.7	Very high	84.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.2	-178.5	-59.5	170	0	0	0	108.1	F205 F254 F260 F270 L271 T273 L336	I155-F205 HydrophobicContact CB-CE2 4.36Å; I155-F205 HydrophobicContact CG1-CE2 4.17Å; I155-F205 HydrophobicContact CG2-CD2 3.83Å; I155-F205 HydrophobicContact CG2-CE2 3.82Å; I155-F254 HydrophobicContact CD1-CE2 4.47Å; I155-F254 HydrophobicContact CG2-CB 4.09Å; I155-F254 HydrophobicContact CG2-CD1 3.68Å; I155-F254 HydrophobicContact CG2-CD2 4.48Å; I155-F254 HydrophobicContact CG2-CE1 4.21Å; I155-F254 HydrophobicContact CG2-CG 3.84Å; I155-F260 HydrophobicContact CD1-CE2 3.74Å; I155-F260 HydrophobicContact CD1-CZ 4.2Å; I155-F270 HydrophobicContact CD1-CB 3.91Å; I155-F270 HydrophobicContact CD1-CD1 4.05Å; I155-F270 HydrophobicContact CD1-CD2 4.05Å; I155-F270 HydrophobicContact CD1-CG 3.77Å; I155-F270 HydrophobicContact CG1-CD1 4.24Å; I155-F270 HydrophobicContact CG1-CG 4.41Å; I155-L271 PolarHBondContact N-O 2.83Å; I155-T273 PolarHBondContact O-N 2.95Å; I155-L336 HydrophobicContact CD1-CD2 4.27Å
156	G	97.4	Very high	85.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.3	166.4	0	0	0	0	0	109.9	L203 I204 F205	G156-L203 PolarHBondContact N-O 3.41Å; G156-I204 WeakPolarHBondContact O-CA 3.27Å; G156-F205 PolarHBondContact O-N 3.34Å
157	V	96.6	Very high	86	Confident	16 Å²	16	39.9 Å²	39.9	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.2	177.3	-177.3	0	0	0	0	110	P159 F205 N250 T251 S253 F254 L275	V157-P159 WeakPolarHBondContact O-CD 3.47Å; V157-F205 WeakPolarHBondContact CA-O 3.33Å; V157-F205 HydrophobicContact CG2-CB 4.31Å; V157-N250 WeakPolarHBondContact CG1-O 3.47Å; V157-T251 WeakPolarHBondContact CG2-O 3.34Å; V157-S253 VanDerWaalsContact CG1-OG 3.24Å; V157-S253 WeakPolarHBondContact CG1-OG 3.49Å; V157-F254 HydrophobicContact CG2-CB 4.29Å; V157-F254 HydrophobicContact CG2-CD1 3.9Å; V157-L275 WeakPolarHBondContact O-CD1 3.35Å
158	L	93.6	Very high	86.3	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.031	19%	0.194	C	C	.	.			trans	-91	110.7	171.6	-178.3	71.9	0	0	0	109.5	F166 I167 L170 I204 F205 T206 H210 L275	L158-F166 HydrophobicContact CD1-CB 4Å; L158-I167 HydrophobicContact CD1-CG1 4.08Å; L158-L170 HydrophobicContact CB-CD2 4.32Å; L158-L170 HydrophobicContact CD1-CD2 4.18Å; L158-L170 HydrophobicContact CD2-CD2 4.1Å; L158-L170 HydrophobicContact CG-CD2 4.44Å; L158-I204 HydrophobicContact CB-CG2 4.35Å; L158-F205 PolarHBondContact N-O 3.41Å; L158-T206 PolarHBondContact O-OG1 2.94Å; L158-H210 HydrophobicContact CD2-CB 4.14Å; L158-L275 HydrophobicContact CD1-CD1 3.94Å
159	P	86.6	Confident	86.9	Confident	25 Å²	25	35.6 Å²	35.6	16%	0.162	18%	0.175	C	C	.	.			trans	-62.3	153.7	-179.5	26.4	-34.6	0	0	0	111.1	V157 G161 F166 H210	V157-P159 WeakPolarHBondContact O-CD 3.47Å; P159-G161 VanDerWaalsContact C-N 3.27Å; P159-G161 PolarHBondContact O-N 3.45Å; P159-F166 HydrophobicContact CG-CB 4.2Å; P159-F166 HydrophobicContact CG-CD2 3.3Å; P159-F166 HydrophobicContact CG-CE2 3.79Å; P159-F166 HydrophobicContact CG-CG 3.78Å; P159-H210 PolarHBondContact O-NE2 3.03Å
160	A	77.4	Confident	87.2	Confident	6 Å²	6	34.5 Å²	34.5	5%	0.05	16%	0.163	C	C	.	.	S	Bend	trans	-71.9	-22.3	-176	0	0	0	0	0	112.5	R162 E207 K209 E241	A160-R162 PolarHBondContact O-N 3.46Å; A160-E207 HydrophobicContact CB-CB 4.46Å; A160-E207 HydrophobicContact CB-CG 3.81Å; A160-E207 WeakPolarHBondContact CB-OE2 3.38Å; A160-K209 VanDerWaalsContact CB-NZ 3.28Å; A160-K209 WeakPolarHBondContact O-CE 3.33Å; A160-K209 PolarHBondContact O-NZ 2.84Å; A160-E241 HydrophobicContact CB-CG 3.76Å; A160-E241 WeakPolarHBondContact CB-OE1 3.39Å; A160-E241 PolarHBondContact N-OE1 2.94Å
161	G	69.4	Low	87.2	Confident	29 Å²	29	32.9 Å²	32.9	30%	0.299	15%	0.154	S	C	.	.	S	Bend	trans	-62	132.9	171.6	0	0	0	0	0	110.3	P159 H163	P159-G161 VanDerWaalsContact C-N 3.27Å; P159-G161 PolarHBondContact O-N 3.45Å; G161-H163 PolarHBondContact O-N 2.97Å
162	R	58.3	Low	87	Confident	202 Å²	202	29.3 Å²	29.3	76%	0.762	14%	0.139	S	C	*	.			trans	-77.6	63.5	173.9	-70.2	-172.7	-178.7	179.5	1.5	110.8	A160	A160-R162 PolarHBondContact O-N 3.46Å
163	H	69.8	Low	86.9	Confident	100 Å²	100	29.2 Å²	29.2	46%	0.463	14%	0.138	S	C	.	.			trans	-87.3	112	167.2	-62.3	-75.5	0	0	0	107	G161 E165 F166	G161-H163 PolarHBondContact O-N 2.97Å; H163-E165 VanDerWaalsContact C-OE2 3.3Å; H163-E165 WeakPolarHBondContact CA-OE2 3.48Å; H163-E165 WeakPolarHBondContact CB-OE2 3.24Å; H163-E165 PolarHBondContact O-N 3.22Å; H163-F166 HydrophobicContact CB-CD2 3.53Å; H163-F166 HydrophobicContact CB-CE2 3.84Å; H163-F166 HydrophobicContact CB-CG 4.45Å; H163-F166 AromaticContact CD2-CE2 3.91Å; H163-F166 PolarHBondContact O-N 3.36Å
164	F	75.2	Confident	86.9	Confident	54 Å²	54	29.2 Å²	29.2	24%	0.237	14%	0.138	C	C	.	.	H	α-helix	trans	-58.4	-28.2	-179.7	174.9	-98.9	0	0	0	111.3	I167 A168 V443 L448 F489	F164-I167 PolarHBondContact O-N 2.64Å; F164-A168 HydrophobicContact CE1-CB 4.15Å; F164-A168 HydrophobicContact CZ-CB 4.42Å; F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 2.92Å; F164-V443 HydrophobicContact CE1-CB 4.39Å; F164-V443 HydrophobicContact CE1-CG1 3.64Å; F164-V443 HydrophobicContact CZ-CG1 3.67Å; F164-L448 HydrophobicContact CE1-CD1 3.91Å; F164-L448 HydrophobicContact CE2-CD1 3.96Å; F164-L448 HydrophobicContact CZ-CD1 3.39Å; F164-F489 HydrophobicContact CE2-CD1 4.38Å; F164-F489 HydrophobicContact CZ-CD1 4.29Å; F164-F489 HydrophobicContact CZ-CE1 4.5Å
165	E	80.2	Confident	86.8	Confident	82 Å²	82	30.3 Å²	30.3	38%	0.383	14%	0.143	S	C	.	.	H	α-helix	trans	-56.7	-51.4	176.7	-58.1	82.8	176.4	0	0	111.6	H163 I167 A168 E169 L440	H163-E165 VanDerWaalsContact C-OE2 3.3Å; H163-E165 WeakPolarHBondContact CA-OE2 3.48Å; H163-E165 WeakPolarHBondContact CB-OE2 3.24Å; H163-E165 PolarHBondContact O-N 3.22Å; E165-I167 VanDerWaalsContact C-N 3.29Å; E165-I167 PolarHBondContact O-N 2.82Å; E165-A168 PolarHBondContact O-N 3.42Å; E165-A168 VanDerWaalsContact O-N 3.15Å; E165-E169 WeakPolarHBondContact O-CB 3.45Å; E165-E169 VanDerWaalsContact O-CG 3.27Å; E165-E169 WeakPolarHBondContact O-CG 3.34Å; E165-E169 PolarHBondContact O-N 3.49Å; E165-L440 HydrophobicContact CB-CD1 4.48Å
166	F	86.3	Confident	86.7	Confident	71 Å²	71	30.7 Å²	30.7	31%	0.311	15%	0.146	S	C	.	.	H	α-helix	trans	-65.7	-32.8	178.7	-63.2	-51.8	0	0	0	112.7	L158 P159 H163 E169 L170 L275	L158-F166 HydrophobicContact CD1-CB 4Å; P159-F166 HydrophobicContact CG-CB 4.2Å; P159-F166 HydrophobicContact CG-CD2 3.3Å; P159-F166 HydrophobicContact CG-CE2 3.79Å; P159-F166 HydrophobicContact CG-CG 3.78Å; H163-F166 HydrophobicContact CB-CD2 3.53Å; H163-F166 HydrophobicContact CB-CE2 3.84Å; H163-F166 HydrophobicContact CB-CG 4.45Å; H163-F166 AromaticContact CD2-CE2 3.91Å; H163-F166 PolarHBondContact O-N 3.36Å; F166-E169 VanDerWaalsContact CD1-OE2 3.3Å; F166-E169 WeakPolarHBondContact CD1-OE2 3.37Å; F166-L170 VanDerWaalsContact O-CB 3.24Å; F166-L170 WeakPolarHBondContact O-CB 3.45Å; F166-L170 PolarHBondContact O-N 3.37Å; F166-L275 HydrophobicContact CB-CD1 3.91Å; F166-L275 HydrophobicContact CD1-CD1 4.46Å
167	I	85.6	Confident	86.6	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-42.6	175.4	-65.2	163.8	0	0	0	109.7	L158 F164 E165 A171 W488 Y492	L158-I167 HydrophobicContact CD1-CG1 4.08Å; F164-I167 PolarHBondContact O-N 2.64Å; E165-I167 VanDerWaalsContact C-N 3.29Å; E165-I167 PolarHBondContact O-N 2.82Å; I167-A171 WeakPolarHBondContact O-CB 3.29Å; I167-A171 PolarHBondContact O-N 3.42Å; I167-W488 HydrophobicContact CG2-CH2 3.49Å; I167-W488 VanDerWaalsContact CG2-CH2 3.49Å; I167-W488 HydrophobicContact CG2-CZ3 3.97Å; I167-Y492 HydrophobicContact CD1-CD1 4.35Å; I167-Y492 HydrophobicContact CD1-CE1 3.49Å; I167-Y492 VanDerWaalsContact CD1-CE1 3.49Å; I167-Y492 WeakPolarHBondContact CD1-OH 3.44Å; I167-Y492 HydrophobicContact CG2-CD2 4.33Å; I167-Y492 HydrophobicContact CG2-CE1 4.47Å; I167-Y492 HydrophobicContact CG2-CE2 4.08Å
168	A	85.7	Confident	86.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-39.9	177.2	0	0	0	0	0	112.2	F164 E165 A171 A172 L440 F489	F164-A168 HydrophobicContact CE1-CB 4.15Å; F164-A168 HydrophobicContact CZ-CB 4.42Å; F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 2.92Å; E165-A168 PolarHBondContact O-N 3.42Å; E165-A168 VanDerWaalsContact O-N 3.15Å; A168-A171 PolarHBondContact O-N 3.41Å; A168-A172 VanDerWaalsContact O-CB 3.23Å; A168-A172 WeakPolarHBondContact O-CB 3.35Å; A168-A172 PolarHBondContact O-N 2.97Å; A168-L440 HydrophobicContact CB-CD2 3.71Å; A168-F489 HydrophobicContact CB-CE1 4.39Å
169	E	91.9	Very high	86.6	Confident	14 Å²	14	31.7 Å²	31.7	7%	0.065	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-49.8	173.8	-71.9	169.4	169.1	0	0	111	E165 F166 A171 F173 L174 L275 D276 L440	E165-E169 WeakPolarHBondContact O-CB 3.45Å; E165-E169 VanDerWaalsContact O-CG 3.27Å; E165-E169 WeakPolarHBondContact O-CG 3.34Å; E165-E169 PolarHBondContact O-N 3.49Å; F166-E169 VanDerWaalsContact CD1-OE2 3.3Å; F166-E169 WeakPolarHBondContact CD1-OE2 3.37Å; E169-A171 VanDerWaalsContact C-N 3.31Å; E169-A171 PolarHBondContact O-N 3.15Å; E169-F173 HydrophobicContact CB-CD2 4.12Å; E169-F173 HydrophobicContact CB-CE2 4.36Å; E169-F173 HydrophobicContact CG-CD2 4.05Å; E169-F173 HydrophobicContact CG-CE2 3.82Å; E169-F173 WeakPolarHBondContact O-CA 3.4Å; E169-F173 VanDerWaalsContact O-CB 3.27Å; E169-F173 WeakPolarHBondContact O-CB 3.47Å; E169-F173 PolarHBondContact O-N 3.45Å; E169-L174 PolarHBondContact O-N 3.41Å; E169-L275 CarbonylContact C-O 3.56Å; E169-L275 HydrophobicContact CB-CB 4.19Å; E169-D276 HydrophobicContact CB-CB 4.42Å; E169-D276 HydrophobicContact CG-CB 4.06Å; E169-L440 HydrophobicContact CG-CD1 4.07Å; E169-L440 HydrophobicContact CG-CD2 4.11Å; E169-L440 WeakPolarHBondContact OE1-CD1 3.39Å
170	L	94.5	Very high	86.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.145	C	C	.	.	I	π-helix	trans	-55.8	-47.9	175.1	171.8	61.9	0	0	0	111	L158 F166 L174 Y175 I204 L215 L275	L158-L170 HydrophobicContact CB-CD2 4.32Å; L158-L170 HydrophobicContact CD1-CD2 4.18Å; L158-L170 HydrophobicContact CD2-CD2 4.1Å; L158-L170 HydrophobicContact CG-CD2 4.44Å; F166-L170 VanDerWaalsContact O-CB 3.24Å; F166-L170 WeakPolarHBondContact O-CB 3.45Å; F166-L170 PolarHBondContact O-N 3.37Å; L170-L174 HydrophobicContact CD1-CD2 4.09Å; L170-L174 HydrophobicContact CD1-CG 4.48Å; L170-Y175 WeakPolarHBondContact O-CB 3.42Å; L170-Y175 PolarHBondContact O-N 3.15Å; L170-I204 HydrophobicContact CD1-CD1 3.91Å; L170-I204 HydrophobicContact CD1-CG1 4.04Å; L170-I204 HydrophobicContact CD2-CD1 4.26Å; L170-I204 HydrophobicContact CD2-CG2 4.04Å; L170-L215 HydrophobicContact CD2-CD1 4.21Å; L170-L215 HydrophobicContact CG-CD1 3.94Å; L170-L275 HydrophobicContact CB-CD1 4.36Å; L170-L275 HydrophobicContact CB-CD2 4.22Å; L170-L275 HydrophobicContact CD1-CD2 3.99Å
171	A	92.6	Very high	87.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-70.6	-56.5	-175.5	0	0	0	0	0	112.5	I167 A168 E169 S176 L215 L485 W488 F489	I167-A171 WeakPolarHBondContact O-CB 3.29Å; I167-A171 PolarHBondContact O-N 3.42Å; A168-A171 PolarHBondContact O-N 3.41Å; E169-A171 VanDerWaalsContact C-N 3.31Å; E169-A171 PolarHBondContact O-N 3.15Å; A171-S176 PolarHBondContact O-N 3.42Å; A171-S176 VanDerWaalsContact O-N 3.12Å; A171-S176 PolarHBondContact O-OG 3.17Å; A171-L215 HydrophobicContact CB-CD2 3.81Å; A171-L485 HydrophobicContact CB-CD1 3.94Å; A171-W488 HydrophobicContact CB-CE3 4.2Å; A171-W488 HydrophobicContact CB-CH2 3.89Å; A171-W488 HydrophobicContact CB-CZ3 3.43Å; A171-W488 VanDerWaalsContact CB-CZ3 3.43Å; A171-F489 HydrophobicContact CB-CE1 4.06Å; A171-F489 HydrophobicContact CB-CZ 3.84Å
172	A	92.5	Very high	88.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-85	-22.7	-169.4	0	0	0	0	0	114	A168 S176 F439 A481 F489	A168-A172 VanDerWaalsContact O-CB 3.23Å; A168-A172 WeakPolarHBondContact O-CB 3.35Å; A168-A172 PolarHBondContact O-N 2.97Å; A172-S176 WeakPolarHBondContact O-CB 3.31Å; A172-F439 HydrophobicContact CB-CE1 3.79Å; A172-F439 HydrophobicContact CB-CZ 3.74Å; A172-A481 HydrophobicContact CB-CB 3.85Å; A172-F489 HydrophobicContact CB-CZ 4.5Å
173	F	95.8	Very high	89.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-106	-69.4	-178.5	-48.8	-19.2	0	0	0	110.3	E169 S177 D276 V277 F278 T427 F434 K436 F439 A478	E169-F173 HydrophobicContact CB-CD2 4.12Å; E169-F173 HydrophobicContact CB-CE2 4.36Å; E169-F173 HydrophobicContact CG-CD2 4.05Å; E169-F173 HydrophobicContact CG-CE2 3.82Å; E169-F173 WeakPolarHBondContact O-CA 3.4Å; E169-F173 VanDerWaalsContact O-CB 3.27Å; E169-F173 WeakPolarHBondContact O-CB 3.47Å; E169-F173 PolarHBondContact O-N 3.45Å; F173-S177 WeakPolarHBondContact O-CB 3.42Å; F173-S177 PolarHBondContact O-N 2.94Å; F173-S177 PolarHBondContact O-OG 3.5Å; F173-D276 HydrophobicContact CD2-CB 4.48Å; F173-V277 CarbonylContact C-O 3.52Å; F173-V277 VanDerWaalsContact CB-O 3.24Å; F173-V277 WeakPolarHBondContact CB-O 3.3Å; F173-F278 HydrophobicContact CB-CD1 4.15Å; F173-F278 HydrophobicContact CB-CD2 4.39Å; F173-F278 HydrophobicContact CB-CE1 3.81Å; F173-F278 HydrophobicContact CB-CE2 4.07Å; F173-F278 HydrophobicContact CB-CG 4.43Å; F173-F278 HydrophobicContact CB-CZ 3.77Å; F173-F278 AromaticContact CD1-CE1 3.78Å; F173-F278 HydrophobicContact CD1-CE1 3.78Å; F173-F278 HydrophobicContact CD1-CE2 4.13Å; F173-F278 AromaticContact CD1-CZ 3.33Å; F173-F278 HydrophobicContact CD1-CZ 3.33Å; F173-F278 HydrophobicContact CD2-CE2 4.4Å; F173-F278 HydrophobicContact CD2-CZ 4.36Å; F173-F278 HydrophobicContact CE1-CZ 4.04Å; F173-F278 HydrophobicContact CG-CE1 4.04Å; F173-F278 AromaticContact CG-CE2 3.96Å; F173-F278 HydrophobicContact CG-CE2 3.96Å; F173-F278 AromaticContact CG-CZ 3.57Å; F173-F278 HydrophobicContact CG-CZ 3.57Å; F173-T427 HydrophobicContact CD2-CG2 4.39Å; F173-F434 HydrophobicContact CD1-CZ 4.24Å; F173-F434 HydrophobicContact CE1-CE1 4.46Å; F173-F434 HydrophobicContact CE1-CE2 4.36Å; F173-F434 AromaticContact CE1-CZ 3.56Å; F173-F434 HydrophobicContact CE1-CZ 3.56Å; F173-F434 HydrophobicContact CE2-CZ 4.38Å; F173-F434 HydrophobicContact CZ-CE1 4.28Å; F173-F434 AromaticContact CZ-CZ 3.65Å; F173-F434 HydrophobicContact CZ-CZ 3.65Å; F173-K436 HydrophobicContact CE2-CB 4.22Å; F173-K436 HydrophobicContact CZ-CB 4.38Å; F173-F439 AromaticContact CE1-CD1 3.47Å; F173-F439 HydrophobicContact CE1-CD1 3.47Å; F173-F439 VanDerWaalsContact CE1-CD1 3.47Å; F173-F439 AromaticContact CE1-CE1 3.49Å; F173-F439 HydrophobicContact CE1-CE1 3.49Å; F173-F439 VanDerWaalsContact CE1-CE1 3.49Å; F173-F439 HydrophobicContact CE1-CG 4.18Å; F173-F439 HydrophobicContact CE1-CZ 4.21Å; F173-F439 AromaticContact CZ-CD1 3.54Å; F173-F439 HydrophobicContact CZ-CD1 3.54Å; F173-F439 AromaticContact CZ-CE1 3.96Å; F173-F439 HydrophobicContact CZ-CE1 3.96Å; F173-F439 HydrophobicContact CZ-CG 4.32Å; F173-A478 HydrophobicContact CD1-CB 4.01Å; F173-A478 HydrophobicContact CE1-CB 3.83Å
174	L	97.7	Very high	89.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-68.7	-52.2	-172.1	176.5	55.4	0	0	0	112.3	V154 E169 L170 S177 W178 L202 L275 V277 L279	V154-L174 HydrophobicContact CG1-CD1 4.17Å; E169-L174 PolarHBondContact O-N 3.41Å; L170-L174 HydrophobicContact CD1-CD2 4.09Å; L170-L174 HydrophobicContact CD1-CG 4.48Å; L174-S177 PolarHBondContact O-OG 3.13Å; L174-W178 WeakPolarHBondContact O-CB 3.32Å; L174-W178 PolarHBondContact O-N 3.33Å; L174-L202 HydrophobicContact CD1-CD1 4Å; L174-L202 HydrophobicContact CD2-CD1 4Å; L174-L202 HydrophobicContact CG-CD1 3.86Å; L174-L275 HydrophobicContact CD2-CD2 4Å; L174-V277 WeakPolarHBondContact CA-O 3.33Å; L174-V277 HydrophobicContact CB-CG2 4.33Å; L174-V277 HydrophobicContact CD1-CG2 3.94Å; L174-V277 PolarHBondContact N-O 2.87Å; L174-L279 HydrophobicContact CD1-CD1 3.99Å; L174-L279 HydrophobicContact CD1-CD2 4.07Å; L174-L279 HydrophobicContact CD1-CG 3.85Å
175	Y	97.3	Very high	87.9	Confident	22 Å²	22	25.7 Å²	25.7	9%	0.086	13%	0.13	C	C	.	.	I	π-helix	trans	-67.3	-48.6	179.5	168.6	-93	0	0	0	111.7	L170 S177 W178 T179 L202 L215 P216 L485	L170-Y175 WeakPolarHBondContact O-CB 3.42Å; L170-Y175 PolarHBondContact O-N 3.15Å; Y175-S177 VanDerWaalsContact C-N 3.33Å; Y175-S177 PolarHBondContact O-N 3.14Å; Y175-W178 HydrophobicContact CD2-CE3 4.36Å; Y175-W178 HydrophobicContact CE2-CE3 4.39Å; Y175-W178 HydrophobicContact CE2-CZ3 4.38Å; Y175-W178 CarbonylContact O-C 3.58Å; Y175-W178 WeakPolarHBondContact O-CA 3.46Å; Y175-W178 WeakPolarHBondContact O-CB 3.5Å; Y175-W178 PolarHBondContact O-N 3.39Å; Y175-W178 VanDerWaalsContact O-N 3.11Å; Y175-T179 HydrophobicContact CD1-CG2 4.16Å; Y175-T179 HydrophobicContact CD2-CG2 4.2Å; Y175-T179 HydrophobicContact CE1-CG2 3.62Å; Y175-T179 HydrophobicContact CE2-CG2 3.7Å; Y175-T179 HydrophobicContact CG-CG2 4.41Å; Y175-T179 WeakPolarHBondContact O-CG2 3.36Å; Y175-T179 PolarHBondContact O-N 3.48Å; Y175-T179 PolarHBondContact O-OG1 2.68Å; Y175-L202 HydrophobicContact CD2-CD2 4.21Å; Y175-L215 HydrophobicContact CD1-CD1 4.29Å; Y175-L215 HydrophobicContact CD1-CD2 3.97Å; Y175-L215 HydrophobicContact CD2-CB 3.98Å; Y175-L215 HydrophobicContact CD2-CD1 3.83Å; Y175-L215 HydrophobicContact CD2-CG 4.38Å; Y175-L215 HydrophobicContact CE1-CD2 4.27Å; Y175-L215 HydrophobicContact CE2-CB 3.9Å; Y175-L215 HydrophobicContact CG-CB 4.34Å; Y175-L215 HydrophobicContact CG-CD1 3.66Å; Y175-L215 HydrophobicContact CG-CD2 4.2Å; Y175-L215 HydrophobicContact CG-CG 4.29Å; Y175-P216 PolarHBondContact OH-O 2.96Å; Y175-L485 HydrophobicContact CD1-CD1 4.03Å; Y175-L485 HydrophobicContact CE1-CD1 4.2Å; Y175-L485 HydrophobicContact CE1-CD2 3.95Å
176	S	95.6	Very high	86.5	Confident	10 Å²	10	23.3 Å²	23.3	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-32.2	-179.4	-66.1	0	0	0	0	113.8	A171 A172 T179 N180 A481	A171-S176 PolarHBondContact O-N 3.42Å; A171-S176 VanDerWaalsContact O-N 3.12Å; A171-S176 PolarHBondContact O-OG 3.17Å; A172-S176 WeakPolarHBondContact O-CB 3.31Å; S176-T179 WeakPolarHBondContact CA-OG1 3.32Å; S176-T179 PolarHBondContact O-OG1 3.12Å; S176-N180 VanDerWaalsContact O-CB 3.3Å; S176-N180 WeakPolarHBondContact O-CB 3.24Å; S176-N180 PolarHBondContact O-N 3.07Å; S176-A481 WeakPolarHBondContact OG-CB 3.35Å
177	S	96	Very high	85.1	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.5	-40.5	170.6	59.1	0	0	0	0	111.5	F173 L174 Y175 N180 I181 L279 Y473	F173-S177 WeakPolarHBondContact O-CB 3.42Å; F173-S177 PolarHBondContact O-N 2.94Å; F173-S177 PolarHBondContact O-OG 3.5Å; L174-S177 PolarHBondContact O-OG 3.13Å; Y175-S177 VanDerWaalsContact C-N 3.33Å; Y175-S177 PolarHBondContact O-N 3.14Å; S177-N180 PolarHBondContact O-N 2.94Å; S177-I181 VanDerWaalsContact O-CG1 3.24Å; S177-I181 WeakPolarHBondContact O-CG1 3.17Å; S177-I181 PolarHBondContact O-N 3.1Å; S177-L279 PolarHBondContact OG-N 3.23Å; S177-Y473 WeakPolarHBondContact CB-OH 3.48Å
178	W	96.4	Very high	83.4	Confident	22 Å²	22	24.8 Å²	24.8	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-46.3	174.1	177.3	86.5	0	0	0	112.7	L174 Y175 N180 I181 H182 I200 L202 P232 Q233 C234 L279	L174-W178 WeakPolarHBondContact O-CB 3.32Å; L174-W178 PolarHBondContact O-N 3.33Å; Y175-W178 HydrophobicContact CD2-CE3 4.36Å; Y175-W178 HydrophobicContact CE2-CE3 4.39Å; Y175-W178 HydrophobicContact CE2-CZ3 4.38Å; Y175-W178 CarbonylContact O-C 3.58Å; Y175-W178 WeakPolarHBondContact O-CA 3.46Å; Y175-W178 WeakPolarHBondContact O-CB 3.5Å; Y175-W178 PolarHBondContact O-N 3.39Å; Y175-W178 VanDerWaalsContact O-N 3.11Å; W178-N180 VanDerWaalsContact C-N 3.33Å; W178-N180 PolarHBondContact O-N 3.05Å; W178-I181 PolarHBondContact O-N 2.87Å; W178-H182 AromaticContact CD1-NE2 3.69Å; W178-H182 AromaticContact CD2-CD2 3.84Å; W178-H182 AromaticContact CE2-CD2 3.41Å; W178-H182 VanDerWaalsContact CE2-CD2 3.41Å; W178-H182 AromaticContact CE2-NE2 3.45Å; W178-H182 AromaticContact CZ2-CD2 3.67Å; W178-H182 AromaticContact CZ2-NE2 3.84Å; W178-H182 AromaticContact NE1-CD2 3.57Å; W178-H182 AromaticContact NE1-NE2 3.13Å; W178-H182 PolarHBondContact NE1-NE2 3.11Å; W178-H182 VanDerWaalsContact NE1-NE2 3.13Å; W178-H182 PolarHBondContact O-CD2 3.1Å; W178-H182 PolarHBondContact O-N 3.26Å; W178-I200 PolarHBondContact NE1-O 3.48Å; W178-L202 HydrophobicContact CB-CD2 4.27Å; W178-L202 HydrophobicContact CD2-CB 3.98Å; W178-L202 HydrophobicContact CD2-CD2 4.37Å; W178-L202 HydrophobicContact CG-CB 3.97Å; W178-L202 HydrophobicContact CG-CD2 4.24Å; W178-P232 HydrophobicContact CZ2-CB 4.06Å; W178-Q233 VanDerWaalsContact CZ2-C 3.48Å; W178-Q233 WeakPolarHBondContact CZ2-O 3.03Å; W178-C234 HydrophobicContact CH2-CB 3.84Å; W178-C234 HydrophobicContact CZ2-CB 4.41Å; W178-C234 HydrophobicContact CZ3-CB 3.89Å; W178-L279 HydrophobicContact CB-CD1 3.98Å
179	T	93.4	Very high	81.3	Confident	20 Å²	20	30.6 Å²	30.6	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-43.9	176.1	55.3	0	0	0	0	110.8	Y175 S176 I181 H182 E183	Y175-T179 HydrophobicContact CD1-CG2 4.16Å; Y175-T179 HydrophobicContact CD2-CG2 4.2Å; Y175-T179 HydrophobicContact CE1-CG2 3.62Å; Y175-T179 HydrophobicContact CE2-CG2 3.7Å; Y175-T179 HydrophobicContact CG-CG2 4.41Å; Y175-T179 WeakPolarHBondContact O-CG2 3.36Å; Y175-T179 PolarHBondContact O-N 3.48Å; Y175-T179 PolarHBondContact O-OG1 2.68Å; S176-T179 WeakPolarHBondContact CA-OG1 3.32Å; S176-T179 PolarHBondContact O-OG1 3.12Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.36Å; T179-H182 PolarHBondContact O-N 3Å; T179-E183 WeakPolarHBondContact O-CB 3.21Å; T179-E183 WeakPolarHBondContact O-CG 3.38Å; T179-E183 PolarHBondContact O-N 2.75Å
180	N	90.6	Very high	79.4	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-43.9	178.8	-176	87.6	0	0	0	112	S176 S177 W178 H182 E183 E184 I477	S176-N180 VanDerWaalsContact O-CB 3.3Å; S176-N180 WeakPolarHBondContact O-CB 3.24Å; S176-N180 PolarHBondContact O-N 3.07Å; S177-N180 PolarHBondContact O-N 2.94Å; W178-N180 VanDerWaalsContact C-N 3.33Å; W178-N180 PolarHBondContact O-N 3.05Å; N180-H182 VanDerWaalsContact C-N 3.29Å; N180-H182 PolarHBondContact O-N 3.34Å; N180-E183 PolarHBondContact O-N 3.16Å; N180-E184 WeakPolarHBondContact O-CB 3.22Å; N180-E184 PolarHBondContact O-N 3.03Å; N180-I477 HydrophobicContact CB-CD1 3.61Å; N180-I477 VanDerWaalsContact CG-CD1 3.45Å
181	I	89	Confident	77.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-43.3	178.9	-70.9	169.3	0	0	0	111.5	K145 S177 W178 T179 I200 L279 S280 P281 L284	K145-I181 PolarHBondContact NZ-O 2.98Å; S177-I181 VanDerWaalsContact O-CG1 3.24Å; S177-I181 WeakPolarHBondContact O-CG1 3.17Å; S177-I181 PolarHBondContact O-N 3.1Å; W178-I181 PolarHBondContact O-N 2.87Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 3.36Å; I181-I200 HydrophobicContact CG2-CD1 4.29Å; I181-L279 HydrophobicContact CD1-CB 3.35Å; I181-L279 HydrophobicContact CD1-CD1 4.48Å; I181-S280 VanDerWaalsContact CD1-C 3.5Å; I181-S280 VanDerWaalsContact CD1-O 3.29Å; I181-S280 WeakPolarHBondContact CD1-O 3.46Å; I181-P281 HydrophobicContact CG1-CG 4.41Å; I181-L284 HydrophobicContact CG2-CD1 3.39Å; I181-L284 HydrophobicContact CG2-CD2 3.88Å; I181-L284 HydrophobicContact CG2-CG 3.36Å; I181-L284 VanDerWaalsContact O-CD1 3.28Å; I181-L284 WeakPolarHBondContact O-CD1 3.45Å
182	H	86.5	Confident	75.1	Confident	31 Å²	31	43.3 Å²	43.3	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-77.8	-35.9	-177.2	-67.8	-53.1	0	0	0	112.8	K145 W178 T179 N180 I200 P232	K145-H182 PolarHBondContact NZ-O 3.3Å; W178-H182 AromaticContact CD1-NE2 3.69Å; W178-H182 AromaticContact CD2-CD2 3.84Å; W178-H182 AromaticContact CE2-CD2 3.41Å; W178-H182 VanDerWaalsContact CE2-CD2 3.41Å; W178-H182 AromaticContact CE2-NE2 3.45Å; W178-H182 AromaticContact CZ2-CD2 3.67Å; W178-H182 AromaticContact CZ2-NE2 3.84Å; W178-H182 AromaticContact NE1-CD2 3.57Å; W178-H182 AromaticContact NE1-NE2 3.13Å; W178-H182 PolarHBondContact NE1-NE2 3.11Å; W178-H182 VanDerWaalsContact NE1-NE2 3.13Å; W178-H182 PolarHBondContact O-CD2 3.1Å; W178-H182 PolarHBondContact O-N 3.26Å; T179-H182 PolarHBondContact O-N 3Å; N180-H182 VanDerWaalsContact C-N 3.29Å; N180-H182 PolarHBondContact O-N 3.34Å; H182-I200 PolarHBondContact NE2-O 2.84Å; H182-P232 WeakPolarHBondContact CE1-CG 3.38Å; H182-P232 WeakPolarHBondContact ND1-CG 3.42Å
183	E	80.1	Confident	73.1	Confident	95 Å²	95	53.4 Å²	53.4	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-88.2	-17.1	-175.6	-64.5	177.2	-170.6	0	0	114	T179 N180 T185 R462	T179-E183 WeakPolarHBondContact O-CB 3.21Å; T179-E183 WeakPolarHBondContact O-CG 3.38Å; T179-E183 PolarHBondContact O-N 2.75Å; N180-E183 PolarHBondContact O-N 3.16Å; E183-T185 PolarHBondContact O-N 2.99Å; E183-R462 IonicContact OE2-CZ 3.37Å; E183-R462 IonicContact OE2-NH1 3.78Å; E183-R462 PolarHBondContact OE2-NH1 2.65Å; E183-R462 IonicContact OE2-NH2 3.82Å; E183-R462 PolarHBondContact OE2-NH2 3.24Å
184	E	67.5	Low	71.3	Confident	12 Å²	12	60.1 Å²	60.1	6%	0.056	34%	0.339	C	S	.	.			trans	-62.8	125.8	-179.7	-178.4	174.8	-164.4	0	0	112.1	K145 N180 P281 V465	K145-E184 VanDerWaalsContact CE-O 3.28Å; K145-E184 WeakPolarHBondContact CE-O 3.47Å; K145-E184 PolarHBondContact NZ-O 3.23Å; N180-E184 WeakPolarHBondContact O-CB 3.22Å; N180-E184 PolarHBondContact O-N 3.03Å; E184-P281 WeakPolarHBondContact OE2-CG 3.49Å; E184-V465 VanDerWaalsContact CD-CG2 3.47Å; E184-V465 VanDerWaalsContact OE1-CG2 3.31Å; E184-V465 WeakPolarHBondContact OE1-CG2 3.33Å; E184-V465 PolarHBondContact OE1-N 3.07Å; E184-V465 WeakPolarHBondContact OE2-CG2 3.31Å
185	T	51.8	Low	69.8	Low	139 Å²	139	63.4 Å²	63.4	85%	0.853	35%	0.353	S	S	*	.			trans	-89.3	-9.1	177.8	52.2	0	0	0	0	113.5	E183	E183-T185 PolarHBondContact O-N 2.99Å
186	G	50.8	Low	68.9	Low	32 Å²	32	65.9 Å²	65.9	33%	0.33	37%	0.368	S	S	.	.			trans	-85.7	-0.4	-173.5	0	0	0	0	0	115.8	N466	G186-N466 PolarHBondContact O-ND2 2.96Å; G186-N466 VanDerWaalsContact O-ND2 3.08Å
187	L	56.1	Low	68.6	Low	23 Å²	23	66.4 Å²	66.4	12%	0.12	37%	0.368	C	S	.	.	S	Bend	trans	-63.5	129.7	163.9	-76.4	167.3	0	0	0	107.3	P189 Y197 L284	L187-P189 VanDerWaalsContact O-N 3.11Å; L187-Y197 HydrophobicContact CD1-CE1 3.96Å; L187-L284 HydrophobicContact CD1-CD1 3.44Å; L187-L284 VanDerWaalsContact CD1-CD1 3.44Å
188	P	49.3	Very low	68.4	Low	86 Å²	86	66.4 Å²	66.4	56%	0.558	37%	0.368	S	S	*	.			trans	-52.3	125.8	-177.8	18	-29	0	0	0	108.8	N190	P188-N190 PolarHBondContact O-N 3.21Å
189	P	42.7	Very low	68.3	Low	123 Å²	123	65.7 Å²	65.7	80%	0.799	37%	0.366	S	S	*	.			trans	-58.8	104	173.4	22.2	-30.4	0	0	0	106.7	L187	L187-P189 VanDerWaalsContact O-N 3.11Å
190	N	51.5	Low	68.4	Low	81 Å²	81	64.8 Å²	64.8	43%	0.433	36%	0.36	S	S	.	.			trans	-77.1	135.9	-160.5	-154.6	0.3	0	0	0	110.7	P188 S192	P188-N190 PolarHBondContact O-N 3.21Å; N190-S192 PolarHBondContact O-N 3.18Å
191	T	46.4	Very low	68.7	Low	145 Å²	145	64.1 Å²	64.1	89%	0.89	36%	0.357	S	S	*	.	S	Bend	trans	-77	-4.8	-173.8	42	0	0	0	0	113.9
192	S	50.2	Low	69.2	Low	55 Å²	55	64.1 Å²	64.1	39%	0.385	36%	0.357	S	S	.	.			trans	-104.2	115.9	175.6	165.7	0	0	0	0	110.3	N190 D194 F195	N190-S192 PolarHBondContact O-N 3.18Å; S192-D194 PolarHBondContact O-N 3.39Å; S192-D194 PolarHBondContact OG-N 3.2Å; S192-F195 PolarHBondContact O-N 3.43Å
193	K	51.2	Low	69.8	Low	212 Å²	212	62.7 Å²	62.7	92%	0.922	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.2	174	-78.1	-174.2	175.2	178.3	0	113.8
194	D	58	Low	70.6	Confident	142 Å²	142	58.1 Å²	58.1	76%	0.759	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-2.9	-174.3	-62	-30.6	0	0	0	113.5	S192 L196	S192-D194 PolarHBondContact O-N 3.39Å; S192-D194 PolarHBondContact OG-N 3.2Å; D194-L196 PolarHBondContact O-N 3.15Å
195	F	65.8	Low	72.1	Confident	68 Å²	68	57.6 Å²	57.6	30%	0.298	33%	0.326	S	S	.	.			trans	-83.6	108.4	179.9	-166.2	-87.5	0	0	0	111.5	S192 Y197 T285	S192-F195 PolarHBondContact O-N 3.43Å; F195-Y197 HydrophobicContact CD1-CE1 4.47Å; F195-Y197 HydrophobicContact CE1-CD1 4.15Å; F195-Y197 HydrophobicContact CE1-CE1 4.13Å; F195-T285 HydrophobicContact CE1-CG2 3.67Å; F195-T285 HydrophobicContact CZ-CG2 3.78Å
196	L	78.8	Confident	74.1	Confident	74 Å²	74	51 Å²	51	39%	0.387	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-98.2	130.7	180	-62.4	168	0	0	0	111.4	P146 G148 D194 R287	P146-L196 HydrophobicContact CB-CD2 4.31Å; G148-L196 VanDerWaalsContact C-CB 3.42Å; G148-L196 WeakPolarHBondContact O-CD1 3.38Å; D194-L196 PolarHBondContact O-N 3.15Å; L196-R287 PolarHBondContact O-NH2 2.58Å
197	Y	87.8	Confident	76.1	Confident	21 Å²	21	51.8 Å²	51.8	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	148.8	175.5	-67.6	-75.9	0	0	0	111.2	K145 P146 G148 G149 L187 F195 L284 T285	K145-Y197 HydrophobicContact CB-CD2 3.7Å; K145-Y197 HydrophobicContact CB-CE2 4.1Å; K145-Y197 HydrophobicContact CB-CG 4.37Å; K145-Y197 HydrophobicContact CG-CD2 4.14Å; K145-Y197 HydrophobicContact CG-CE2 4.09Å; P146-Y197 PolarHBondContact O-N 2.9Å; G148-Y197 PolarHBondContact N-O 3.24Å; G148-Y197 VanDerWaalsContact N-O 3.1Å; G149-Y197 PolarHBondContact N-O 2.83Å; L187-Y197 HydrophobicContact CD1-CE1 3.96Å; F195-Y197 HydrophobicContact CD1-CE1 4.47Å; F195-Y197 HydrophobicContact CE1-CD1 4.15Å; F195-Y197 HydrophobicContact CE1-CE1 4.13Å; Y197-L284 HydrophobicContact CD1-CB 3.93Å; Y197-T285 HydrophobicContact CD1-CG2 4Å; Y197-T285 HydrophobicContact CE1-CG2 3.86Å
198	N	93	Very high	77.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.9	169.8	-65.4	-28.8	0	0	0	109.7	F147 L150 I152 I200 L283 L284 Y286 R287	F147-N198 WeakPolarHBondContact CD1-O 3.5Å; L150-N198 WeakPolarHBondContact CB-OD1 3.37Å; L150-N198 PolarHBondContact N-OD1 2.66Å; L150-N198 CarbonylContact O-C 3.6Å; L150-N198 WeakPolarHBondContact O-CA 3.49Å; I152-N198 HydrophobicContact CD1-CB 3.96Å; N198-I200 HydrophobicContact CB-CG1 4.37Å; N198-L283 PolarHBondContact ND2-O 3.06Å; N198-L284 PolarHBondContact N-O 3.31Å; N198-L284 WeakPolarHBondContact O-CD2 3.37Å; N198-Y286 PolarHBondContact ND2-O 2.8Å; N198-R287 VanDerWaalsContact CG-NH1 3.33Å; N198-R287 PolarHBondContact ND2-NH1 2.93Å; N198-R287 PolarHBondContact OD1-NH1 2.97Å
199	K	93.5	Very high	79.1	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.3	168.4	177.2	178.8	-178.4	-97.4	0	108.1	F147 L150 I152 D201 K228 S229 K231	F147-K199 HydrophobicContact CB-CB 4.4Å; F147-K199 HydrophobicContact CD1-CB 4.31Å; L150-K199 PolarHBondContact O-N 2.73Å; I152-K199 PolarHBondContact N-O 3.3Å; K199-D201 WeakPolarHBondContact CE-OD1 3.47Å; K199-D201 IonicContact NZ-OD1 3.27Å; K199-D201 PolarHBondContact NZ-OD1 3.2Å; K199-D201 IonicContact NZ-OD2 2.94Å; K199-D201 PolarHBondContact NZ-OD2 3.13Å; K199-K228 WeakPolarHBondContact CE-O 3.44Å; K199-K228 PolarHBondContact NZ-O 3.08Å; K199-S229 WeakPolarHBondContact CD-O 3.34Å; K199-K231 WeakPolarHBondContact CE-O 3.34Å
200	I	95.9	Very high	81.1	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	105.1	-177	-52.4	166.3	0	0	0	108.5	I152 V154 W178 I181 H182 N198 L283 L284	I152-I200 HydrophobicContact CB-CG1 4.45Å; I152-I200 HydrophobicContact CD1-CG1 4.5Å; I152-I200 WeakPolarHBondContact O-CA 3.42Å; V154-I200 HydrophobicContact CG2-CG2 3.55Å; W178-I200 PolarHBondContact NE1-O 3.48Å; I181-I200 HydrophobicContact CG2-CD1 4.29Å; H182-I200 PolarHBondContact NE2-O 2.84Å; N198-I200 HydrophobicContact CB-CG1 4.37Å; I200-L283 HydrophobicContact CD1-CB 3.58Å; I200-L284 HydrophobicContact CD1-CD2 3.77Å; I200-L284 HydrophobicContact CD1-CG 4.1Å; I200-L284 HydrophobicContact CG1-CD2 4.44Å
201	D	97.9	Very high	82.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.5	173	-64.3	-21.1	0	0	0	110.2	I152 V154 K199 L203 P232 Q233 Y267	I152-D201 PolarHBondContact O-N 2.94Å; V154-D201 PolarHBondContact N-O 3.47Å; K199-D201 WeakPolarHBondContact CE-OD1 3.47Å; K199-D201 IonicContact NZ-OD1 3.27Å; K199-D201 PolarHBondContact NZ-OD1 3.2Å; K199-D201 IonicContact NZ-OD2 2.94Å; K199-D201 PolarHBondContact NZ-OD2 3.13Å; D201-L203 HydrophobicContact CB-CD2 4.05Å; D201-P232 WeakPolarHBondContact OD1-CA 3.38Å; D201-Q233 CarbonylContact C-O 3.57Å; D201-Q233 VanDerWaalsContact CA-O 3.22Å; D201-Q233 WeakPolarHBondContact CA-O 3.45Å; D201-Q233 WeakPolarHBondContact CB-O 3.28Å; D201-Q233 PolarHBondContact OD1-N 3.5Å; D201-Y267 HydrophobicContact CB-CE1 3.95Å; D201-Y267 WeakPolarHBondContact CB-OH 3.48Å; D201-Y267 WeakPolarHBondContact OD2-CE1 3.1Å; D201-Y267 VanDerWaalsContact OD2-CZ 3.3Å; D201-Y267 PolarHBondContact OD2-OH 3.1Å
202	L	98.6	Very high	84	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.2	171.4	-179	60.3	0	0	0	108.9	V154 L174 Y175 W178 I204 Q233 C234 L235	V154-L202 HydrophobicContact CB-CD1 4.16Å; V154-L202 HydrophobicContact CG1-CD1 4.1Å; L174-L202 HydrophobicContact CD1-CD1 4Å; L174-L202 HydrophobicContact CD2-CD1 4Å; L174-L202 HydrophobicContact CG-CD1 3.86Å; Y175-L202 HydrophobicContact CD2-CD2 4.21Å; W178-L202 HydrophobicContact CB-CD2 4.27Å; W178-L202 HydrophobicContact CD2-CB 3.98Å; W178-L202 HydrophobicContact CD2-CD2 4.37Å; W178-L202 HydrophobicContact CG-CB 3.97Å; W178-L202 HydrophobicContact CG-CD2 4.24Å; L202-I204 HydrophobicContact CD2-CD1 4.12Å; L202-I204 HydrophobicContact CD2-CG1 4.39Å; L202-I204 HydrophobicContact CG-CD1 4.27Å; L202-I204 HydrophobicContact CG-CG1 4.05Å; L202-Q233 PolarHBondContact N-O 3.33Å; L202-C234 HydrophobicContact CB-CB 4.49Å; L202-C234 CarbonylContact O-C 3.5Å; L202-C234 WeakPolarHBondContact O-CA 3.27Å; L202-L235 PolarHBondContact O-N 2.93Å
203	L	98.5	Very high	85.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	101.4	-176.3	-50.7	-178.1	0	0	0	109.4	V154 G156 D201 F205 L235 L237 L263 Y267 F270	V154-L203 WeakPolarHBondContact O-CA 3.39Å; V154-L203 WeakPolarHBondContact O-CB 3.33Å; V154-L203 PolarHBondContact O-N 2.94Å; G156-L203 PolarHBondContact N-O 3.41Å; D201-L203 HydrophobicContact CB-CD2 4.05Å; L203-F205 HydrophobicContact CB-CD2 4.4Å; L203-F205 HydrophobicContact CB-CE2 3.66Å; L203-F205 HydrophobicContact CB-CZ 4.32Å; L203-F205 WeakPolarHBondContact O-CD2 3.3Å; L203-L235 HydrophobicContact CD2-CB 4.09Å; L203-L235 HydrophobicContact CD2-CD1 3.87Å; L203-L235 HydrophobicContact CD2-CG 4.43Å; L203-L237 HydrophobicContact CB-CD1 3.92Å; L203-L237 HydrophobicContact CD2-CD1 4.18Å; L203-L263 HydrophobicContact CD1-CD1 4.27Å; L203-Y267 HydrophobicContact CD1-CD2 4.38Å; L203-Y267 HydrophobicContact CD1-CE2 3.84Å; L203-Y267 HydrophobicContact CD2-CE2 4.36Å; L203-F270 HydrophobicContact CD1-CD1 4.49Å; L203-F270 HydrophobicContact CD1-CE1 3.97Å
204	I	97.9	Very high	87	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	106.6	-178	-59.3	165.9	0	0	0	108.4	G156 L158 L170 L202 L215 L235 Y236 L237	G156-I204 WeakPolarHBondContact O-CA 3.27Å; L158-I204 HydrophobicContact CB-CG2 4.35Å; L170-I204 HydrophobicContact CD1-CD1 3.91Å; L170-I204 HydrophobicContact CD1-CG1 4.04Å; L170-I204 HydrophobicContact CD2-CD1 4.26Å; L170-I204 HydrophobicContact CD2-CG2 4.04Å; L202-I204 HydrophobicContact CD2-CD1 4.12Å; L202-I204 HydrophobicContact CD2-CG1 4.39Å; L202-I204 HydrophobicContact CG-CD1 4.27Å; L202-I204 HydrophobicContact CG-CG1 4.05Å; I204-L215 HydrophobicContact CD1-CD1 4.34Å; I204-L235 PolarHBondContact N-O 2.7Å; I204-Y236 HydrophobicContact CB-CD1 4.37Å; I204-Y236 HydrophobicContact CB-CD2 4.29Å; I204-Y236 HydrophobicContact CB-CE1 4.4Å; I204-Y236 HydrophobicContact CB-CE2 4.32Å; I204-Y236 HydrophobicContact CB-CG 4.31Å; I204-Y236 HydrophobicContact CD1-CD2 4.04Å; I204-Y236 HydrophobicContact CD1-CE2 3.41Å; I204-Y236 VanDerWaalsContact CD1-CE2 3.41Å; I204-Y236 HydrophobicContact CG1-CE2 4.44Å; I204-Y236 HydrophobicContact CG2-CD1 4.03Å; I204-Y236 HydrophobicContact CG2-CE1 3.8Å; I204-Y236 HydrophobicContact CG2-CE2 4.49Å; I204-Y236 HydrophobicContact CG2-CG 4.48Å; I204-Y236 CarbonylContact O-C 3.56Å; I204-Y236 WeakPolarHBondContact O-CA 3.31Å; I204-L237 PolarHBondContact O-N 2.81Å
205	F	97.7	Very high	88.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.8	175.9	-65.2	-94.9	0	0	0	109.3	I155 G156 V157 L158 L203 L237 T239 F254 C257 F260 L263	I155-F205 HydrophobicContact CB-CE2 4.36Å; I155-F205 HydrophobicContact CG1-CE2 4.17Å; I155-F205 HydrophobicContact CG2-CD2 3.83Å; I155-F205 HydrophobicContact CG2-CE2 3.82Å; G156-F205 PolarHBondContact O-N 3.34Å; V157-F205 WeakPolarHBondContact CA-O 3.33Å; V157-F205 HydrophobicContact CG2-CB 4.31Å; L158-F205 PolarHBondContact N-O 3.41Å; L203-F205 HydrophobicContact CB-CD2 4.4Å; L203-F205 HydrophobicContact CB-CE2 3.66Å; L203-F205 HydrophobicContact CB-CZ 4.32Å; L203-F205 WeakPolarHBondContact O-CD2 3.3Å; F205-L237 WeakPolarHBondContact CA-O 3.42Å; F205-L237 HydrophobicContact CD1-CB 3.77Å; F205-L237 HydrophobicContact CE1-CB 3.8Å; F205-L237 HydrophobicContact CE1-CD1 4.21Å; F205-L237 HydrophobicContact CE1-CD2 4.11Å; F205-L237 HydrophobicContact CE1-CG 4.27Å; F205-L237 HydrophobicContact CE2-CD1 4.31Å; F205-L237 HydrophobicContact CG-CB 4.44Å; F205-L237 HydrophobicContact CZ-CB 4.47Å; F205-L237 HydrophobicContact CZ-CD1 4.04Å; F205-L237 HydrophobicContact CZ-CD2 4.37Å; F205-T239 HydrophobicContact CB-CG2 4.02Å; F205-F254 HydrophobicContact CB-CB 3.99Å; F205-F254 HydrophobicContact CD1-CB 3.63Å; F205-F254 HydrophobicContact CD2-CB 3.65Å; F205-F254 HydrophobicContact CE1-CB 3.96Å; F205-F254 HydrophobicContact CE2-CB 3.99Å; F205-F254 HydrophobicContact CG-CB 3.45Å; F205-F254 VanDerWaalsContact CG-CB 3.45Å; F205-F254 HydrophobicContact CZ-CB 4.13Å; F205-C257 HydrophobicContact CD1-CB 3.71Å; F205-C257 HydrophobicContact CE1-CB 3.68Å; F205-F260 HydrophobicContact CE1-CD2 4.16Å; F205-F260 AromaticContact CZ-CD2 3.84Å; F205-F260 HydrophobicContact CZ-CD2 3.84Å; F205-F260 HydrophobicContact CZ-CE2 4.46Å; F205-L263 HydrophobicContact CZ-CD1 4.03Å
206	T	94.9	Very high	89.7	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.7	-179.5	-165	0	0	0	0	111.8	L158 H210 F211 Y236 L237 E238 T239	L158-T206 PolarHBondContact O-OG1 2.94Å; T206-H210 HydrophobicContact CG2-CB 3.86Å; T206-H210 PolarHBondContact OG1-CD2 3.43Å; T206-F211 HydrophobicContact CG2-CD1 4.05Å; T206-F211 HydrophobicContact CG2-CE1 3.73Å; T206-Y236 HydrophobicContact CG2-CD1 3.82Å; T206-Y236 HydrophobicContact CG2-CE1 4.23Å; T206-L237 PolarHBondContact N-O 3.13Å; T206-L237 VanDerWaalsContact N-O 3.09Å; T206-E238 WeakPolarHBondContact O-CA 3.37Å; T206-T239 PolarHBondContact O-N 3.09Å
207	E	92	Very high	90.2	Very high	49 Å²	49	35.3 Å²	35.3	23%	0.229	18%	0.184	C	C	.	.			trans	-71.2	147	171.9	-68.7	-165.1	163.8	0	0	111.4	A160 K209 H210	A160-E207 HydrophobicContact CB-CB 4.46Å; A160-E207 HydrophobicContact CB-CG 3.81Å; A160-E207 WeakPolarHBondContact CB-OE2 3.38Å; E207-K209 HydrophobicContact CB-CG 4.24Å; E207-K209 PolarHBondContact O-N 2.95Å; E207-K209 VanDerWaalsContact OE2-CE 3.31Å; E207-K209 WeakPolarHBondContact OE2-CE 3.5Å; E207-K209 IonicContact OE2-NZ 3.42Å; E207-K209 PolarHBondContact OE2-NZ 3.45Å; E207-H210 PolarHBondContact O-N 3.29Å
208	K	87.1	Confident	90.5	Very high	133 Å²	133	34.9 Å²	34.9	58%	0.578	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-49	-26.1	-179	-169.6	171.7	-174.1	165.9	0	115.3	H210 F211 E238	K208-H210 PolarHBondContact O-N 3.37Å; K208-F211 HydrophobicContact CB-CD2 4.46Å; K208-F211 HydrophobicContact CG-CD2 4Å; K208-F211 HydrophobicContact CG-CE2 4.47Å; K208-F211 VanDerWaalsContact O-CB 3.26Å; K208-F211 WeakPolarHBondContact O-CB 3.31Å; K208-F211 PolarHBondContact O-N 3.43Å; K208-F211 VanDerWaalsContact O-N 3.1Å; K208-E238 HydrophobicContact CB-CG 4.3Å
209	K	82.5	Confident	90.6	Very high	88 Å²	88	38.8 Å²	38.8	38%	0.383	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-63.4	-24.8	178.3	69.7	-166.7	179.2	-159.8	0	113.8	A160 E207	A160-K209 VanDerWaalsContact CB-NZ 3.28Å; A160-K209 WeakPolarHBondContact O-CE 3.33Å; A160-K209 PolarHBondContact O-NZ 2.84Å; E207-K209 HydrophobicContact CB-CG 4.24Å; E207-K209 PolarHBondContact O-N 2.95Å; E207-K209 VanDerWaalsContact OE2-CE 3.31Å; E207-K209 WeakPolarHBondContact OE2-CE 3.5Å; E207-K209 IonicContact OE2-NZ 3.42Å; E207-K209 PolarHBondContact OE2-NZ 3.45Å
210	H	83.3	Confident	90.6	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.019	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-82.3	-12.7	175.7	-66.6	-79.1	0	0	0	113	L158 P159 T206 E207 K208 K212 K213 Y492	L158-H210 HydrophobicContact CD2-CB 4.14Å; P159-H210 PolarHBondContact O-NE2 3.03Å; T206-H210 HydrophobicContact CG2-CB 3.86Å; T206-H210 PolarHBondContact OG1-CD2 3.43Å; E207-H210 PolarHBondContact O-N 3.29Å; K208-H210 PolarHBondContact O-N 3.37Å; H210-K212 PolarHBondContact O-N 2.84Å; H210-K213 PolarHBondContact O-N 3.36Å; H210-Y492 PolarHBondContact ND1-OH 3.13Å; H210-Y492 VanDerWaalsContact ND1-OH 3.08Å
211	F	83.9	Confident	90.5	Very high	26 Å²	26	41.9 Å²	41.9	11%	0.114	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-66.4	-11.5	179.6	-70.2	1.1	0	0	0	114.2	T206 K208 K213 L214 I220 Y236 E238	T206-F211 HydrophobicContact CG2-CD1 4.05Å; T206-F211 HydrophobicContact CG2-CE1 3.73Å; K208-F211 HydrophobicContact CB-CD2 4.46Å; K208-F211 HydrophobicContact CG-CD2 4Å; K208-F211 HydrophobicContact CG-CE2 4.47Å; K208-F211 VanDerWaalsContact O-CB 3.26Å; K208-F211 WeakPolarHBondContact O-CB 3.31Å; K208-F211 PolarHBondContact O-N 3.43Å; K208-F211 VanDerWaalsContact O-N 3.1Å; F211-K213 PolarHBondContact O-N 2.74Å; F211-L214 HydrophobicContact CB-CD2 4.49Å; F211-I220 HydrophobicContact CB-CD1 3.71Å; F211-I220 HydrophobicContact CB-CG1 4.28Å; F211-I220 HydrophobicContact CD1-CG1 4.43Å; F211-I220 HydrophobicContact CD2-CD1 3.81Å; F211-I220 HydrophobicContact CD2-CG1 3.96Å; F211-I220 HydrophobicContact CD2-CG2 3.83Å; F211-I220 HydrophobicContact CE2-CG1 4.34Å; F211-I220 HydrophobicContact CE2-CG2 3.52Å; F211-I220 HydrophobicContact CG-CD1 3.88Å; F211-I220 HydrophobicContact CG-CG1 4Å; F211-I220 HydrophobicContact CZ-CG2 4.1Å; F211-Y236 HydrophobicContact CD1-CD1 4.05Å; F211-Y236 HydrophobicContact CE1-CD1 4.11Å; F211-Y236 HydrophobicContact CE1-CG 4.48Å; F211-E238 HydrophobicContact CE2-CB 3.92Å; F211-E238 HydrophobicContact CE2-CG 4.48Å; F211-E238 HydrophobicContact CZ-CB 3.73Å; F211-E238 HydrophobicContact CZ-CG 4.47Å
212	K	75.3	Confident	90.1	Very high	177 Å²	177	46.1 Å²	46.1	77%	0.77	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-68.2	-22.9	177.1	-63.6	-173.6	178.5	-173.3	0	113	H210	H210-K212 PolarHBondContact O-N 2.84Å
213	K	77.6	Confident	89.7	Confident	52 Å²	52	48.5 Å²	48.5	23%	0.226	26%	0.261	C	S	.	.	S	Bend	trans	-140.1	79.3	-174.7	-77.2	139.9	-169.1	-113.8	0	109.5	H210 F211 E491 Y492 T493	H210-K213 PolarHBondContact O-N 3.36Å; F211-K213 PolarHBondContact O-N 2.74Å; K213-E491 PolarHBondContact NZ-O 3.32Å; K213-Y492 HydrophobicContact CB-CD2 3.47Å; K213-Y492 VanDerWaalsContact CB-CD2 3.47Å; K213-Y492 HydrophobicContact CB-CE2 3.45Å; K213-Y492 VanDerWaalsContact CB-CE2 3.45Å; K213-Y492 HydrophobicContact CB-CG 4.3Å; K213-Y492 HydrophobicContact CD-CD1 4.26Å; K213-Y492 HydrophobicContact CD-CD2 4.05Å; K213-Y492 HydrophobicContact CD-CE1 4.49Å; K213-Y492 HydrophobicContact CD-CE2 4.3Å; K213-Y492 HydrophobicContact CD-CG 4.03Å; K213-Y492 HydrophobicContact CG-CD2 4.09Å; K213-Y492 HydrophobicContact CG-CE2 4.4Å; K213-Y492 HydrophobicContact CG-CG 4.48Å; K213-Y492 PolarHBondContact NZ-O 2.88Å; K213-T493 VanDerWaalsContact NZ-CA 3.3Å; K213-T493 VanDerWaalsContact NZ-N 3.17Å; K213-T493 PolarHBondContact NZ-O 2.88Å
214	L	88.1	Confident	89.3	Confident	44 Å²	44	51.1 Å²	51.1	23%	0.23	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-74.8	148.9	175.6	-51.4	179.9	0	0	0	109.4	F211 C218 I220 Y236 W488	F211-L214 HydrophobicContact CB-CD2 4.49Å; L214-C218 HydrophobicContact CB-CB 4.4Å; L214-C218 WeakPolarHBondContact CD1-O 3.22Å; L214-I220 HydrophobicContact CD1-CD1 4.07Å; L214-I220 HydrophobicContact CD1-CG1 3.78Å; L214-I220 HydrophobicContact CD2-CD1 4.34Å; L214-I220 HydrophobicContact CD2-CG1 3.94Å; L214-I220 HydrophobicContact CG-CG1 4.46Å; L214-Y236 HydrophobicContact CB-CE2 4.37Å; L214-Y236 HydrophobicContact CD2-CD1 3.7Å; L214-Y236 HydrophobicContact CD2-CD2 3.85Å; L214-Y236 HydrophobicContact CD2-CE1 4.02Å; L214-Y236 HydrophobicContact CD2-CE2 4.16Å; L214-Y236 HydrophobicContact CD2-CG 3.6Å; L214-W488 PolarHBondContact O-NE1 2.84Å
215	L	91.6	Very high	89	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-61	149.6	166.6	-78.4	158.8	0	0	0	110.1	L170 A171 Y175 I204 G217 C218 L485 W488	L170-L215 HydrophobicContact CD2-CD1 4.21Å; L170-L215 HydrophobicContact CG-CD1 3.94Å; A171-L215 HydrophobicContact CB-CD2 3.81Å; Y175-L215 HydrophobicContact CD1-CD1 4.29Å; Y175-L215 HydrophobicContact CD1-CD2 3.97Å; Y175-L215 HydrophobicContact CD2-CB 3.98Å; Y175-L215 HydrophobicContact CD2-CD1 3.83Å; Y175-L215 HydrophobicContact CD2-CG 4.38Å; Y175-L215 HydrophobicContact CE1-CD2 4.27Å; Y175-L215 HydrophobicContact CE2-CB 3.9Å; Y175-L215 HydrophobicContact CG-CB 4.34Å; Y175-L215 HydrophobicContact CG-CD1 3.66Å; Y175-L215 HydrophobicContact CG-CD2 4.2Å; Y175-L215 HydrophobicContact CG-CG 4.29Å; I204-L215 HydrophobicContact CD1-CD1 4.34Å; L215-G217 PolarHBondContact O-N 2.81Å; L215-C218 VanDerWaalsContact CB-SG 3.53Å; L215-C218 VanDerWaalsContact O-CB 3.26Å; L215-C218 WeakPolarHBondContact O-CB 3.46Å; L215-C218 PolarHBondContact O-N 3.07Å; L215-C218 PolarHBondContact O-SG 3.28Å; L215-L485 HydrophobicContact CD2-CD1 4.21Å; L215-L485 HydrophobicContact CD2-CD2 4.34Å; L215-W488 HydrophobicContact CD2-CD2 3.78Å; L215-W488 HydrophobicContact CD2-CE3 3.93Å; L215-W488 HydrophobicContact CD2-CG 4.48Å; L215-W488 HydrophobicContact CD2-CH2 3.66Å; L215-W488 HydrophobicContact CD2-CZ2 3.55Å; L215-W488 HydrophobicContact CD2-CZ3 3.88Å; L215-W488 HydrophobicContact CG-CH2 4.07Å; L215-W488 HydrophobicContact CG-CZ2 3.65Å
216	P	88	Confident	88.7	Confident	60 Å²	60	64.6 Å²	64.6	39%	0.39	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	133.8	-176.6	-27.7	35.9	0	0	0	112.6	Y175 C218 L485 W488	Y175-P216 PolarHBondContact OH-O 2.96Å; P216-C218 PolarHBondContact O-N 3.33Å; P216-C218 VanDerWaalsContact O-N 3.16Å; P216-L485 HydrophobicContact CG-CD2 3.87Å; P216-W488 HydrophobicContact CG-CB 4.39Å; P216-W488 HydrophobicContact CG-CG 4.48Å
217	G	88.7	Confident	88.5	Confident	77 Å²	77	65.4 Å²	65.4	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	-0.8	-179.9	0	0	0	0	0	116	L215	L215-G217 PolarHBondContact O-N 2.81Å
218	C	94.4	Very high	88.3	Confident	12 Å²	12	66.9 Å²	66.9	8%	0.081	34%	0.338	C	S	.	.			trans	-82	144	173.6	-57	0	0	0	0	111.9	L214 L215 P216 C234 Y236	L214-C218 HydrophobicContact CB-CB 4.4Å; L214-C218 WeakPolarHBondContact CD1-O 3.22Å; L215-C218 VanDerWaalsContact CB-SG 3.53Å; L215-C218 VanDerWaalsContact O-CB 3.26Å; L215-C218 WeakPolarHBondContact O-CB 3.46Å; L215-C218 PolarHBondContact O-N 3.07Å; L215-C218 PolarHBondContact O-SG 3.28Å; P216-C218 PolarHBondContact O-N 3.33Å; P216-C218 VanDerWaalsContact O-N 3.16Å; C218-C234 CarbonylContact C-O 3.58Å; C218-C234 VanDerWaalsContact CA-O 3.22Å; C218-C234 WeakPolarHBondContact CA-O 3.2Å; C218-C234 HydrophobicContact CB-CB 3.76Å; C218-C234 WeakPolarHBondContact CB-SG 3.37Å; C218-C234 WeakPolarHBondContact SG-CB 3.36Å; C218-C234 CovalentContact SG-SG 2.03Å; C218-C234 PolarHBondContact SG-SG 3.47Å; C218-Y236 HydrophobicContact CB-CD2 3.75Å; C218-Y236 HydrophobicContact CB-CE2 3.62Å
219	E	94.6	Very high	87.8	Confident	81 Å²	81	64.3 Å²	64.3	38%	0.379	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.9	-177	-63.9	174.3	160.5	0	0	110.9	K228 Q233 C234 L235 Y236	E219-K228 IonicContact OE1-NZ 2.87Å; E219-Q233 PolarHBondContact OE2-NE2 2.99Å; E219-Q233 VanDerWaalsContact OE2-NE2 3.07Å; E219-C234 PolarHBondContact N-O 3.47Å; E219-L235 HydrophobicContact CB-CD2 4.35Å; E219-L235 CarbonylContact O-C 3.53Å; E219-L235 WeakPolarHBondContact O-CA 3.4Å; E219-Y236 PolarHBondContact O-N 3.11Å
220	I	94.3	Very high	87.6	Confident	67 Å²	67	65 Å²	65	34%	0.344	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.5	171.3	-64	158	0	0	0	109.1	F211 L214 Y236	F211-I220 HydrophobicContact CB-CD1 3.71Å; F211-I220 HydrophobicContact CB-CG1 4.28Å; F211-I220 HydrophobicContact CD1-CG1 4.43Å; F211-I220 HydrophobicContact CD2-CD1 3.81Å; F211-I220 HydrophobicContact CD2-CG1 3.96Å; F211-I220 HydrophobicContact CD2-CG2 3.83Å; F211-I220 HydrophobicContact CE2-CG1 4.34Å; F211-I220 HydrophobicContact CE2-CG2 3.52Å; F211-I220 HydrophobicContact CG-CD1 3.88Å; F211-I220 HydrophobicContact CG-CG1 4Å; F211-I220 HydrophobicContact CZ-CG2 4.1Å; L214-I220 HydrophobicContact CD1-CD1 4.07Å; L214-I220 HydrophobicContact CD1-CG1 3.78Å; L214-I220 HydrophobicContact CD2-CD1 4.34Å; L214-I220 HydrophobicContact CD2-CG1 3.94Å; L214-I220 HydrophobicContact CG-CG1 4.46Å; I220-Y236 WeakPolarHBondContact CA-O 3.39Å
221	V	93.3	Very high	87.8	Confident	7 Å²	7	70 Å²	70	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.9	177.2	-176.4	0	0	0	0	110.7	I227 L235 Y236 L237 L259	V221-I227 HydrophobicContact CG1-CD1 4.37Å; V221-I227 HydrophobicContact CG1-CG1 4.15Å; V221-L235 HydrophobicContact CG2-CB 3.72Å; V221-L235 HydrophobicContact CG2-CD1 4.04Å; V221-L235 HydrophobicContact CG2-CD2 3.55Å; V221-L235 HydrophobicContact CG2-CG 3.95Å; V221-Y236 PolarHBondContact N-O 3.25Å; V221-L237 HydrophobicContact CB-CD2 4.45Å; V221-L237 HydrophobicContact CB-CG 4.29Å; V221-L259 HydrophobicContact CG1-CD1 3.9Å
222	S	90	Very high	88.2	Confident	88 Å²	88	69.9 Å²	69.9	62%	0.615	37%	0.373	S	S	*	.	S	Bend	trans	-113.3	-17.6	172.5	59.2	0	0	0	0	112.6	Q226	S222-Q226 PolarHBondContact OG-OE1 3.24Å
223	D	91	Very high	89.2	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.273	34%	0.338	S	S	.	.	S	Bend	trans	-145.1	142.4	-178.8	-172.7	-71.3	0	0	0	110.7	R225 Q226	D223-R225 VanDerWaalsContact CG-NE 3.35Å; D223-R225 PolarHBondContact O-N 2.96Å; D223-R225 VanDerWaalsContact O-N 3.13Å; D223-R225 WeakPolarHBondContact OD1-CB 3.3Å; D223-R225 VanDerWaalsContact OD1-CG 3.24Å; D223-R225 WeakPolarHBondContact OD1-CG 3.43Å; D223-R225 IonicContact OD1-CZ 3.26Å; D223-R225 PolarHBondContact OD1-N 3.25Å; D223-R225 IonicContact OD1-NE 2.77Å; D223-R225 PolarHBondContact OD1-NE 3.48Å; D223-R225 IonicContact OD1-NH2 2.8Å; D223-R225 IonicContact OD2-CZ 3.89Å; D223-R225 IonicContact OD2-NE 2.71Å; D223-R225 PolarHBondContact OD2-NE 3.29Å; D223-R225 IonicContact OD2-NH2 3.35Å; D223-R225 PolarHBondContact OD2-NH2 3.44Å; D223-Q226 WeakPolarHBondContact O-CB 3.42Å; D223-Q226 PolarHBondContact O-N 2.8Å
224	L	89.8	Confident	90.2	Very high	54 Å²	54	59.6 Å²	59.6	28%	0.283	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-59.6	-25.5	-178.1	-57.6	177	0	0	0	113.5	Q226 I227 L259 S262 L263 I266	L224-Q226 PolarHBondContact O-N 2.84Å; L224-I227 HydrophobicContact CD2-CD1 4.38Å; L224-I227 WeakPolarHBondContact O-CB 3.25Å; L224-I227 PolarHBondContact O-N 2.84Å; L224-L259 HydrophobicContact CD2-CB 4.21Å; L224-L259 HydrophobicContact CD2-CD2 4.17Å; L224-L259 HydrophobicContact CG-CD2 4.36Å; L224-S262 VanDerWaalsContact CD1-CB 3.42Å; L224-L263 HydrophobicContact CD2-CD2 3.78Å; L224-I266 HydrophobicContact CB-CD1 4.01Å; L224-I266 HydrophobicContact CD1-CD1 4.3Å; L224-I266 HydrophobicContact CD2-CD1 3.79Å; L224-I266 HydrophobicContact CG-CD1 4.23Å
225	R	90.1	Very high	90.6	Very high	210 Å²	210	57.5 Å²	57.5	79%	0.792	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.4	176	-67	171.8	-72.5	173.4	-1	112.9	D223 I227	D223-R225 VanDerWaalsContact CG-NE 3.35Å; D223-R225 PolarHBondContact O-N 2.96Å; D223-R225 VanDerWaalsContact O-N 3.13Å; D223-R225 WeakPolarHBondContact OD1-CB 3.3Å; D223-R225 VanDerWaalsContact OD1-CG 3.24Å; D223-R225 WeakPolarHBondContact OD1-CG 3.43Å; D223-R225 IonicContact OD1-CZ 3.26Å; D223-R225 PolarHBondContact OD1-N 3.25Å; D223-R225 IonicContact OD1-NE 2.77Å; D223-R225 PolarHBondContact OD1-NE 3.48Å; D223-R225 IonicContact OD1-NH2 2.8Å; D223-R225 IonicContact OD2-CZ 3.89Å; D223-R225 IonicContact OD2-NE 2.71Å; D223-R225 PolarHBondContact OD2-NE 3.29Å; D223-R225 IonicContact OD2-NH2 3.35Å; D223-R225 PolarHBondContact OD2-NH2 3.44Å; R225-I227 VanDerWaalsContact C-N 3.26Å
226	Q	91.3	Very high	90.9	Very high	74 Å²	74	57.6 Å²	57.6	35%	0.346	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-76.2	-16.8	175.6	-62	174.8	-46	0	0	112.2	S222 D223 L224 K228 Q233	S222-Q226 PolarHBondContact OG-OE1 3.24Å; D223-Q226 WeakPolarHBondContact O-CB 3.42Å; D223-Q226 PolarHBondContact O-N 2.8Å; L224-Q226 PolarHBondContact O-N 2.84Å; Q226-K228 PolarHBondContact O-N 2.98Å; Q226-Q233 PolarHBondContact O-NE2 3.4Å; Q226-Q233 VanDerWaalsContact O-NE2 3.1Å
227	I	91.5	Very high	91.4	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.092	30%	0.299	C	S	.	.	S	Bend	trans	-83.7	105.2	176.8	-51.4	-178.8	0	0	0	108.7	V221 L224 R225 L235 L263 I266	V221-I227 HydrophobicContact CG1-CD1 4.37Å; V221-I227 HydrophobicContact CG1-CG1 4.15Å; L224-I227 HydrophobicContact CD2-CD1 4.38Å; L224-I227 WeakPolarHBondContact O-CB 3.25Å; L224-I227 PolarHBondContact O-N 2.84Å; R225-I227 VanDerWaalsContact C-N 3.26Å; I227-L235 HydrophobicContact CD1-CD1 4.41Å; I227-L235 HydrophobicContact CG1-CD1 3.99Å; I227-L235 HydrophobicContact CG2-CD1 4.25Å; I227-L263 HydrophobicContact CD1-CD2 3.35Å; I227-I266 HydrophobicContact CD1-CD1 4.11Å; I227-I266 HydrophobicContact CG2-CG2 4.2Å
228	K	87.1	Confident	91.7	Very high	79 Å²	79	55.1 Å²	55.1	34%	0.343	28%	0.28	S	S	.	.			trans	-76.1	136.7	-179.2	-62.3	170.7	-174.7	160	0	109.1	K199 E219 Q226 K231	K199-K228 WeakPolarHBondContact CE-O 3.44Å; K199-K228 PolarHBondContact NZ-O 3.08Å; E219-K228 IonicContact OE1-NZ 2.87Å; Q226-K228 PolarHBondContact O-N 2.98Å; K228-K231 HydrophobicContact CB-CG 4.5Å; K228-K231 HydrophobicContact CD-CG 4.41Å
229	S	77.6	Confident	91.7	Very high	80 Å²	80	54.8 Å²	54.8	56%	0.559	28%	0.278	S	S	*	.	S	Bend	trans	-79.9	-18	179	55.3	0	0	0	0	113.8	K199	K199-S229 WeakPolarHBondContact CD-O 3.34Å
230	T	77.8	Confident	91.7	Very high	103 Å²	103	54.8 Å²	54.8	63%	0.632	28%	0.283	S	S	*	.	S	Bend	trans	-102.3	-19.8	-163.3	51.5	0	0	0	0	115.1
231	K	87.1	Confident	91.6	Very high	108 Å²	108	54 Å²	54	47%	0.47	28%	0.279	S	S	.	.	S	Bend	trans	-139.9	143.5	-177.9	68.6	179	-171.6	172.6	0	112.6	K199 K228	K199-K231 WeakPolarHBondContact CE-O 3.34Å; K228-K231 HydrophobicContact CB-CG 4.5Å; K228-K231 HydrophobicContact CD-CG 4.41Å
232	P	93.3	Very high	91.6	Very high	24 Å²	24	54.9 Å²	54.9	16%	0.156	28%	0.282	C	S	.	.			trans	-53.7	139.8	173.2	-24.9	33	0	0	0	111.9	F147 W178 H182 D201	F147-P232 HydrophobicContact CD1-CG 4.25Å; F147-P232 HydrophobicContact CD2-CG 4.3Å; F147-P232 HydrophobicContact CE1-CG 3.6Å; F147-P232 HydrophobicContact CE2-CG 3.67Å; F147-P232 VanDerWaalsContact CZ-CD 3.48Å; F147-P232 HydrophobicContact CZ-CG 3.28Å; W178-P232 HydrophobicContact CZ2-CB 4.06Å; H182-P232 WeakPolarHBondContact CE1-CG 3.38Å; H182-P232 WeakPolarHBondContact ND1-CG 3.42Å; D201-P232 WeakPolarHBondContact OD1-CA 3.38Å
233	Q	96	Very high	91.7	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.042	30%	0.297	C	S	.	.			trans	-131.3	147.5	176.6	-69.5	173.8	-79.2	0	0	111.6	W178 D201 L202 E219 Q226 L235	W178-Q233 VanDerWaalsContact CZ2-C 3.48Å; W178-Q233 WeakPolarHBondContact CZ2-O 3.03Å; D201-Q233 CarbonylContact C-O 3.57Å; D201-Q233 VanDerWaalsContact CA-O 3.22Å; D201-Q233 WeakPolarHBondContact CA-O 3.45Å; D201-Q233 WeakPolarHBondContact CB-O 3.28Å; D201-Q233 PolarHBondContact OD1-N 3.5Å; L202-Q233 PolarHBondContact N-O 3.33Å; E219-Q233 PolarHBondContact OE2-NE2 2.99Å; E219-Q233 VanDerWaalsContact OE2-NE2 3.07Å; Q226-Q233 PolarHBondContact O-NE2 3.4Å; Q226-Q233 VanDerWaalsContact O-NE2 3.1Å; Q233-L235 HydrophobicContact CB-CD1 4.14Å; Q233-L235 HydrophobicContact CB-CD2 3.59Å; Q233-L235 HydrophobicContact CB-CG 3.73Å; Q233-L235 HydrophobicContact CG-CD2 4.31Å
234	C	97.7	Very high	91.8	Very high	3 Å²	3	62 Å²	62	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.9	161.9	173.9	0	0	0	0	108.4	W178 L202 C218 E219	W178-C234 HydrophobicContact CH2-CB 3.84Å; W178-C234 HydrophobicContact CZ2-CB 4.41Å; W178-C234 HydrophobicContact CZ3-CB 3.89Å; L202-C234 HydrophobicContact CB-CB 4.49Å; L202-C234 CarbonylContact O-C 3.5Å; L202-C234 WeakPolarHBondContact O-CA 3.27Å; C218-C234 CarbonylContact C-O 3.58Å; C218-C234 VanDerWaalsContact CA-O 3.22Å; C218-C234 WeakPolarHBondContact CA-O 3.2Å; C218-C234 HydrophobicContact CB-CB 3.76Å; C218-C234 WeakPolarHBondContact CB-SG 3.37Å; C218-C234 WeakPolarHBondContact SG-CB 3.36Å; C218-C234 CovalentContact SG-SG 2.03Å; C218-C234 PolarHBondContact SG-SG 3.47Å; E219-C234 PolarHBondContact N-O 3.47Å
235	L	97.8	Very high	91.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.4	-166.6	-60	177.6	0	0	0	110.2	L202 L203 I204 E219 V221 I227 Q233 L237	L202-L235 PolarHBondContact O-N 2.93Å; L203-L235 HydrophobicContact CD2-CB 4.09Å; L203-L235 HydrophobicContact CD2-CD1 3.87Å; L203-L235 HydrophobicContact CD2-CG 4.43Å; I204-L235 PolarHBondContact N-O 2.7Å; E219-L235 HydrophobicContact CB-CD2 4.35Å; E219-L235 CarbonylContact O-C 3.53Å; E219-L235 WeakPolarHBondContact O-CA 3.4Å; V221-L235 HydrophobicContact CG2-CB 3.72Å; V221-L235 HydrophobicContact CG2-CD1 4.04Å; V221-L235 HydrophobicContact CG2-CD2 3.55Å; V221-L235 HydrophobicContact CG2-CG 3.95Å; I227-L235 HydrophobicContact CD1-CD1 4.41Å; I227-L235 HydrophobicContact CG1-CD1 3.99Å; I227-L235 HydrophobicContact CG2-CD1 4.25Å; Q233-L235 HydrophobicContact CB-CD1 4.14Å; Q233-L235 HydrophobicContact CB-CD2 3.59Å; Q233-L235 HydrophobicContact CB-CG 3.73Å; Q233-L235 HydrophobicContact CG-CD2 4.31Å; L235-L237 HydrophobicContact CB-CD1 4.23Å
236	Y	97.6	Very high	91.9	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122	172	-84	-112.5	0	0	0	109.5	I204 T206 F211 L214 C218 E219 I220 V221	I204-Y236 HydrophobicContact CB-CD1 4.37Å; I204-Y236 HydrophobicContact CB-CD2 4.29Å; I204-Y236 HydrophobicContact CB-CE1 4.4Å; I204-Y236 HydrophobicContact CB-CE2 4.32Å; I204-Y236 HydrophobicContact CB-CG 4.31Å; I204-Y236 HydrophobicContact CD1-CD2 4.04Å; I204-Y236 HydrophobicContact CD1-CE2 3.41Å; I204-Y236 VanDerWaalsContact CD1-CE2 3.41Å; I204-Y236 HydrophobicContact CG1-CE2 4.44Å; I204-Y236 HydrophobicContact CG2-CD1 4.03Å; I204-Y236 HydrophobicContact CG2-CE1 3.8Å; I204-Y236 HydrophobicContact CG2-CE2 4.49Å; I204-Y236 HydrophobicContact CG2-CG 4.48Å; I204-Y236 CarbonylContact O-C 3.56Å; I204-Y236 WeakPolarHBondContact O-CA 3.31Å; T206-Y236 HydrophobicContact CG2-CD1 3.82Å; T206-Y236 HydrophobicContact CG2-CE1 4.23Å; F211-Y236 HydrophobicContact CD1-CD1 4.05Å; F211-Y236 HydrophobicContact CE1-CD1 4.11Å; F211-Y236 HydrophobicContact CE1-CG 4.48Å; L214-Y236 HydrophobicContact CB-CE2 4.37Å; L214-Y236 HydrophobicContact CD2-CD1 3.7Å; L214-Y236 HydrophobicContact CD2-CD2 3.85Å; L214-Y236 HydrophobicContact CD2-CE1 4.02Å; L214-Y236 HydrophobicContact CD2-CE2 4.16Å; L214-Y236 HydrophobicContact CD2-CG 3.6Å; C218-Y236 HydrophobicContact CB-CD2 3.75Å; C218-Y236 HydrophobicContact CB-CE2 3.62Å; E219-Y236 PolarHBondContact O-N 3.11Å; I220-Y236 WeakPolarHBondContact CA-O 3.39Å; V221-Y236 PolarHBondContact N-O 3.25Å
237	L	97.5	Very high	91.7	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.5	179.5	-63.2	104.8	0	0	0	110.4	L203 I204 F205 T206 V221 L235 T239 L263	L203-L237 HydrophobicContact CB-CD1 3.92Å; L203-L237 HydrophobicContact CD2-CD1 4.18Å; I204-L237 PolarHBondContact O-N 2.81Å; F205-L237 WeakPolarHBondContact CA-O 3.42Å; F205-L237 HydrophobicContact CD1-CB 3.77Å; F205-L237 HydrophobicContact CE1-CB 3.8Å; F205-L237 HydrophobicContact CE1-CD1 4.21Å; F205-L237 HydrophobicContact CE1-CD2 4.11Å; F205-L237 HydrophobicContact CE1-CG 4.27Å; F205-L237 HydrophobicContact CE2-CD1 4.31Å; F205-L237 HydrophobicContact CG-CB 4.44Å; F205-L237 HydrophobicContact CZ-CB 4.47Å; F205-L237 HydrophobicContact CZ-CD1 4.04Å; F205-L237 HydrophobicContact CZ-CD2 4.37Å; T206-L237 PolarHBondContact N-O 3.13Å; T206-L237 VanDerWaalsContact N-O 3.09Å; V221-L237 HydrophobicContact CB-CD2 4.45Å; V221-L237 HydrophobicContact CB-CG 4.29Å; L235-L237 HydrophobicContact CB-CD1 4.23Å; L237-T239 PolarHBondContact O-N 2.91Å; L237-L263 HydrophobicContact CD2-CD1 3.85Å
238	E	96	Very high	91.6	Very high	84 Å²	84	61.7 Å²	61.7	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.9	-179.1	-172.2	172.4	178.3	0	0	108.5	T206 K208 F211 C257	T206-E238 WeakPolarHBondContact O-CA 3.37Å; K208-E238 HydrophobicContact CB-CG 4.3Å; F211-E238 HydrophobicContact CE2-CB 3.92Å; F211-E238 HydrophobicContact CE2-CG 4.48Å; F211-E238 HydrophobicContact CZ-CB 3.73Å; F211-E238 HydrophobicContact CZ-CG 4.47Å; E238-C257 WeakPolarHBondContact O-CB 3.48Å; E238-C257 PolarHBondContact O-SG 2.85Å
239	T	95.2	Very high	92	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.031	29%	0.292	C	S	.	.			trans	-132.9	170.8	168.5	-159.2	0	0	0	0	111.2	F205 T206 L237 S253 C257	F205-T239 HydrophobicContact CB-CG2 4.02Å; T206-T239 PolarHBondContact O-N 3.09Å; L237-T239 PolarHBondContact O-N 2.91Å; T239-S253 PolarHBondContact OG1-O 3.09Å; T239-C257 PolarHBondContact OG1-N 2.79Å
240	T	94.2	Very high	92.7	Very high	81 Å²	81	54.7 Å²	54.7	50%	0.497	27%	0.269	S	S	.	.			trans	-119.1	134.1	173.4	-50.6	0	0	0	0	108.7	N256	T240-N256 WeakPolarHBondContact O-CB 3.37Å; T240-N256 PolarHBondContact O-ND2 3.34Å
241	E	92	Very high	93.4	Very high	52 Å²	52	51 Å²	51	24%	0.243	25%	0.246	C	C	.	.			trans	-58.8	147.7	174.4	-73.9	-163.5	156.6	0	0	112	A160 R243 N250	A160-E241 HydrophobicContact CB-CG 3.76Å; A160-E241 WeakPolarHBondContact CB-OE1 3.39Å; A160-E241 PolarHBondContact N-OE1 2.94Å; E241-R243 PolarHBondContact O-N 2.98Å; E241-N250 WeakPolarHBondContact CA-OD1 3.25Å; E241-N250 WeakPolarHBondContact CB-OD1 3.37Å; E241-N250 HydrophobicContact CG-CB 4.48Å; E241-N250 PolarHBondContact OE1-ND2 2.56Å; E241-N250 PolarHBondContact OE2-ND2 2.7Å
242	I	93.7	Very high	93.9	Very high	24 Å²	24	45.9 Å²	45.9	12%	0.123	22%	0.223	C	C	.	.			trans	-78.3	120.1	173.9	-61.2	161.3	0	0	0	106.8	H244 I249 N250 N256 V344 M348	I242-H244 HydrophobicContact CG2-CB 4.5Å; I242-H244 PolarHBondContact O-N 3.29Å; I242-I249 HydrophobicContact CB-CG2 3.92Å; I242-I249 HydrophobicContact CD1-CG1 4.06Å; I242-I249 HydrophobicContact CG2-CG1 4.19Å; I242-I249 HydrophobicContact CG2-CG2 4.06Å; I242-N250 PolarHBondContact N-OD1 3.18Å; I242-N250 PolarHBondContact O-OD1 3.48Å; I242-N256 WeakPolarHBondContact CG1-ND2 3.48Å; I242-V344 HydrophobicContact CD1-CG2 3.58Å; I242-M348 HydrophobicContact CG2-SD 4.01Å
243	R	90.5	Very high	94	Very high	246 Å²	246	44.8 Å²	44.8	93%	0.928	22%	0.216	S	C	*	.			trans	-73.5	95.1	178.7	-60.3	-173.1	-146.1	161.4	6.2	110	E241	E241-R243 PolarHBondContact O-N 2.98Å
244	H	93	Very high	94.1	Very high	42 Å²	42	44.3 Å²	44.3	19%	0.194	21%	0.214	C	C	.	.			trans	-144.5	155.2	176.4	-159.1	-97.1	0	0	0	110.1	I242 Y246 I249 M348 F351 D352	I242-H244 HydrophobicContact CG2-CB 4.5Å; I242-H244 PolarHBondContact O-N 3.29Å; H244-Y246 VanDerWaalsContact ND1-CB 3.34Å; H244-Y246 WeakPolarHBondContact ND1-CB 3.31Å; H244-Y246 PolarHBondContact ND1-N 3.23Å; H244-Y246 VanDerWaalsContact ND1-N 3.14Å; H244-Y246 PolarHBondContact O-N 2.98Å; H244-I249 HydrophobicContact CB-CG2 3.92Å; H244-M348 WeakPolarHBondContact NE2-CB 3.47Å; H244-F351 AromaticContact CE1-CD1 3.75Å; H244-D352 IonicContact CE1-OD1 2.7Å; H244-D352 PolarHBondContact CE1-OD1 2.89Å; H244-D352 VanDerWaalsContact CE1-OD1 3.26Å; H244-D352 IonicContact CE1-OD2 3.43Å; H244-D352 IonicContact NE2-OD1 3.52Å; H244-D352 PolarHBondContact NE2-OD1 3.31Å; H244-D352 IonicContact NE2-OD2 3.59Å; H244-D352 PolarHBondContact NE2-OD2 2.84Å
245	T	89.6	Confident	94.1	Very high	109 Å²	109	45.9 Å²	45.9	67%	0.669	22%	0.222	S	C	*	.	S	Bend	trans	-67.7	-25.5	176.2	52.8	0	0	0	0	112.4	T247 F351	T245-T247 PolarHBondContact O-N 3.11Å; T245-F351 WeakPolarHBondContact OG1-CE1 3.42Å
246	Y	93	Very high	94	Very high	6 Å²	6	49.5 Å²	49.5	2%	0.024	24%	0.241	C	C	.	.			trans	-83.9	97.6	172.5	-178	-131.2	0	0	0	111.1	H244 Y248 I249 T347 F351 P381 S384	H244-Y246 VanDerWaalsContact ND1-CB 3.34Å; H244-Y246 WeakPolarHBondContact ND1-CB 3.31Å; H244-Y246 PolarHBondContact ND1-N 3.23Å; H244-Y246 VanDerWaalsContact ND1-N 3.14Å; H244-Y246 PolarHBondContact O-N 2.98Å; Y246-Y248 VanDerWaalsContact C-N 3.32Å; Y246-Y248 HydrophobicContact CD2-CD2 4.17Å; Y246-Y248 AromaticContact CE2-CD2 3.57Å; Y246-Y248 HydrophobicContact CE2-CD2 3.57Å; Y246-Y248 HydrophobicContact CE2-CG 4.12Å; Y246-Y248 PolarHBondContact O-N 3.23Å; Y246-I249 HydrophobicContact CD1-CB 3.94Å; Y246-I249 VanDerWaalsContact O-CB 3.28Å; Y246-I249 WeakPolarHBondContact O-CB 3.46Å; Y246-I249 WeakPolarHBondContact O-CG2 3.35Å; Y246-I249 PolarHBondContact O-N 3.38Å; Y246-I249 VanDerWaalsContact O-N 3.15Å; Y246-T347 HydrophobicContact CD1-CG2 3.73Å; Y246-T347 HydrophobicContact CE1-CG2 3.46Å; Y246-T347 VanDerWaalsContact CE1-CG2 3.46Å; Y246-F351 HydrophobicContact CD1-CD2 4.24Å; Y246-F351 AromaticContact CD2-CD2 3.46Å; Y246-F351 HydrophobicContact CD2-CD2 3.46Å; Y246-F351 VanDerWaalsContact CD2-CD2 3.46Å; Y246-F351 AromaticContact CD2-CE2 3.3Å; Y246-F351 HydrophobicContact CD2-CE2 3.3Å; Y246-F351 HydrophobicContact CD2-CG 4.39Å; Y246-F351 HydrophobicContact CD2-CZ 4.15Å; Y246-F351 HydrophobicContact CE2-CD2 4.14Å; Y246-F351 HydrophobicContact CE2-CE2 4.14Å; Y246-F351 AromaticContact CG-CD2 3.5Å; Y246-F351 HydrophobicContact CG-CD2 3.5Å; Y246-F351 VanDerWaalsContact CG-CD2 3.5Å; Y246-F351 AromaticContact CG-CE2 3.7Å; Y246-F351 HydrophobicContact CG-CE2 3.7Å; Y246-F351 AromaticContact CG-CG 3.99Å; Y246-F351 HydrophobicContact CG-CG 3.99Å; Y246-F351 HydrophobicContact CG-CZ 4.35Å; Y246-P381 WeakPolarHBondContact CE2-O 3.38Å; Y246-P381 PolarHBondContact OH-O 3.13Å; Y246-S384 PolarHBondContact OH-N 3.4Å; Y246-S384 PolarHBondContact OH-OG 2.66Å; Y246-S384 VanDerWaalsContact OH-OG 3.11Å
247	T	88.2	Confident	94	Very high	93 Å²	93	49.6 Å²	49.6	57%	0.571	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.5	-32.9	-174.8	52.9	0	0	0	0	114	T245 I249 N250	T245-T247 PolarHBondContact O-N 3.11Å; T247-I249 PolarHBondContact O-N 3.39Å; T247-I249 VanDerWaalsContact O-N 3.13Å; T247-N250 WeakPolarHBondContact O-CB 3.32Å; T247-N250 PolarHBondContact O-N 3.09Å; T247-N250 VanDerWaalsContact O-N 3.13Å; T247-N250 PolarHBondContact O-ND2 2.97Å
248	Y	89.1	Confident	93.8	Very high	142 Å²	142	55.1 Å²	55.1	56%	0.557	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-67.7	-9.9	178.2	-59.5	-77.9	0	0	0	113.6	Y246 N250 T251	Y246-Y248 VanDerWaalsContact C-N 3.32Å; Y246-Y248 HydrophobicContact CD2-CD2 4.17Å; Y246-Y248 AromaticContact CE2-CD2 3.57Å; Y246-Y248 HydrophobicContact CE2-CD2 3.57Å; Y246-Y248 HydrophobicContact CE2-CG 4.12Å; Y246-Y248 PolarHBondContact O-N 3.23Å; Y248-N250 PolarHBondContact O-N 3.43Å; Y248-N250 VanDerWaalsContact O-N 3.09Å; Y248-T251 VanDerWaalsContact O-CG2 3.23Å; Y248-T251 WeakPolarHBondContact O-CG2 3.27Å; Y248-T251 PolarHBondContact O-N 3.18Å
249	I	94.5	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.3	-26.6	169	-163.2	66.3	0	0	0	111.7	I242 H244 Y246 T247 T251 Y252 V344 T347 M348	I242-I249 HydrophobicContact CB-CG2 3.92Å; I242-I249 HydrophobicContact CD1-CG1 4.06Å; I242-I249 HydrophobicContact CG2-CG1 4.19Å; I242-I249 HydrophobicContact CG2-CG2 4.06Å; H244-I249 HydrophobicContact CB-CG2 3.92Å; Y246-I249 HydrophobicContact CD1-CB 3.94Å; Y246-I249 VanDerWaalsContact O-CB 3.28Å; Y246-I249 WeakPolarHBondContact O-CB 3.46Å; Y246-I249 WeakPolarHBondContact O-CG2 3.35Å; Y246-I249 PolarHBondContact O-N 3.38Å; Y246-I249 VanDerWaalsContact O-N 3.15Å; T247-I249 PolarHBondContact O-N 3.39Å; T247-I249 VanDerWaalsContact O-N 3.13Å; I249-T251 PolarHBondContact O-N 2.91Å; I249-T251 VanDerWaalsContact O-N 3.09Å; I249-Y252 HydrophobicContact CD1-CD2 4.22Å; I249-Y252 WeakPolarHBondContact O-CB 3.25Å; I249-Y252 PolarHBondContact O-N 3.08Å; I249-V344 HydrophobicContact CD1-CG2 3.72Å; I249-V344 HydrophobicContact CG1-CG2 3.92Å; I249-T347 VanDerWaalsContact CD1-CB 3.5Å; I249-T347 HydrophobicContact CD1-CG2 3.4Å; I249-T347 VanDerWaalsContact CD1-CG2 3.4Å; I249-M348 HydrophobicContact CD1-CG 3.79Å; I249-M348 HydrophobicContact CG1-CG 4Å
250	N	93	Very high	93.9	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.07	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.2	-13.1	-176.1	-76.1	-34.8	0	0	0	113.6	V157 E241 I242 T247 Y248 Y252 S253	V157-N250 WeakPolarHBondContact CG1-O 3.47Å; E241-N250 WeakPolarHBondContact CA-OD1 3.25Å; E241-N250 WeakPolarHBondContact CB-OD1 3.37Å; E241-N250 HydrophobicContact CG-CB 4.48Å; E241-N250 PolarHBondContact OE1-ND2 2.56Å; E241-N250 PolarHBondContact OE2-ND2 2.7Å; I242-N250 PolarHBondContact N-OD1 3.18Å; I242-N250 PolarHBondContact O-OD1 3.48Å; T247-N250 WeakPolarHBondContact O-CB 3.32Å; T247-N250 PolarHBondContact O-N 3.09Å; T247-N250 VanDerWaalsContact O-N 3.13Å; T247-N250 PolarHBondContact O-ND2 2.97Å; Y248-N250 PolarHBondContact O-N 3.43Å; Y248-N250 VanDerWaalsContact O-N 3.09Å; N250-Y252 PolarHBondContact O-N 2.93Å; N250-S253 VanDerWaalsContact O-CB 3.22Å; N250-S253 WeakPolarHBondContact O-CB 3.47Å; N250-S253 PolarHBondContact O-N 3.05Å; N250-S253 PolarHBondContact O-OG 3.04Å
251	T	92.8	Very high	93.9	Very high	25 Å²	25	53.5 Å²	53.5	15%	0.153	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-51.7	-25.8	163.6	-174.5	0	0	0	0	112.4	V157 Y248 I249 F254 R272	V157-T251 WeakPolarHBondContact CG2-O 3.34Å; Y248-T251 VanDerWaalsContact O-CG2 3.23Å; Y248-T251 WeakPolarHBondContact O-CG2 3.27Å; Y248-T251 PolarHBondContact O-N 3.18Å; I249-T251 PolarHBondContact O-N 2.91Å; I249-T251 VanDerWaalsContact O-N 3.09Å; T251-F254 WeakPolarHBondContact O-CD1 3.21Å; T251-F254 WeakPolarHBondContact O-CE1 3.43Å; T251-R272 PolarHBondContact OG1-NH2 3.25Å
252	Y	97.2	Very high	94.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-96.4	0.7	176.3	-64.6	-73.5	0	0	0	114.2	I249 N250 F254 L255 R272 A343 V344	I249-Y252 HydrophobicContact CD1-CD2 4.22Å; I249-Y252 WeakPolarHBondContact O-CB 3.25Å; I249-Y252 PolarHBondContact O-N 3.08Å; N250-Y252 PolarHBondContact O-N 2.93Å; Y252-F254 HydrophobicContact CD1-CE1 4.27Å; Y252-F254 HydrophobicContact CD1-CZ 4.27Å; Y252-F254 PolarHBondContact O-N 3.43Å; Y252-F254 VanDerWaalsContact O-N 3.08Å; Y252-L255 VanDerWaalsContact O-CB 3.31Å; Y252-L255 WeakPolarHBondContact O-CB 3.43Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.86Å; Y252-R272 VanDerWaalsContact CZ-CZ 3.43Å; Y252-R272 PolarHBondContact OH-NH1 3.06Å; Y252-R272 PolarHBondContact OH-NH2 3.11Å; Y252-A343 HydrophobicContact CE1-CB 3.89Å; Y252-A343 WeakPolarHBondContact OH-CB 3.37Å; Y252-V344 HydrophobicContact CD1-CB 4.31Å; Y252-V344 HydrophobicContact CD2-CB 4.01Å; Y252-V344 HydrophobicContact CD2-CG2 4.16Å; Y252-V344 HydrophobicContact CG-CB 3.8Å; Y252-V344 HydrophobicContact CG-CG2 4.08Å
253	S	96	Very high	94.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62.7	-19.2	-176.8	66.6	0	0	0	0	112.5	V157 T239 N250 L255 N256	V157-S253 VanDerWaalsContact CG1-OG 3.24Å; V157-S253 WeakPolarHBondContact CG1-OG 3.49Å; T239-S253 PolarHBondContact OG1-O 3.09Å; N250-S253 VanDerWaalsContact O-CB 3.22Å; N250-S253 WeakPolarHBondContact O-CB 3.47Å; N250-S253 PolarHBondContact O-N 3.05Å; N250-S253 PolarHBondContact O-OG 3.04Å; S253-L255 PolarHBondContact O-N 2.84Å; S253-N256 WeakPolarHBondContact O-CB 3.33Å; S253-N256 PolarHBondContact O-N 3.02Å
254	F	97.1	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53.7	-26.3	170.1	65.6	-99.4	0	0	0	113.2	I155 V157 F205 T251 Y252 N256 C257 F260 R272	I155-F254 HydrophobicContact CD1-CE2 4.47Å; I155-F254 HydrophobicContact CG2-CB 4.09Å; I155-F254 HydrophobicContact CG2-CD1 3.68Å; I155-F254 HydrophobicContact CG2-CD2 4.48Å; I155-F254 HydrophobicContact CG2-CE1 4.21Å; I155-F254 HydrophobicContact CG2-CG 3.84Å; V157-F254 HydrophobicContact CG2-CB 4.29Å; V157-F254 HydrophobicContact CG2-CD1 3.9Å; F205-F254 HydrophobicContact CB-CB 3.99Å; F205-F254 HydrophobicContact CD1-CB 3.63Å; F205-F254 HydrophobicContact CD2-CB 3.65Å; F205-F254 HydrophobicContact CE1-CB 3.96Å; F205-F254 HydrophobicContact CE2-CB 3.99Å; F205-F254 HydrophobicContact CG-CB 3.45Å; F205-F254 VanDerWaalsContact CG-CB 3.45Å; F205-F254 HydrophobicContact CZ-CB 4.13Å; T251-F254 WeakPolarHBondContact O-CD1 3.21Å; T251-F254 WeakPolarHBondContact O-CE1 3.43Å; Y252-F254 HydrophobicContact CD1-CE1 4.27Å; Y252-F254 HydrophobicContact CD1-CZ 4.27Å; Y252-F254 PolarHBondContact O-N 3.43Å; Y252-F254 VanDerWaalsContact O-N 3.08Å; F254-N256 PolarHBondContact O-N 3.31Å; F254-C257 VanDerWaalsContact O-CB 3.27Å; F254-C257 WeakPolarHBondContact O-CB 3.4Å; F254-C257 PolarHBondContact O-N 3.47Å; F254-C257 VanDerWaalsContact O-N 3.12Å; F254-F260 HydrophobicContact CD2-CD1 4.1Å; F254-F260 AromaticContact CD2-CD2 3.83Å; F254-F260 HydrophobicContact CD2-CD2 3.83Å; F254-F260 AromaticContact CD2-CE1 3.75Å; F254-F260 HydrophobicContact CD2-CE1 3.75Å; F254-F260 AromaticContact CD2-CE2 3.46Å; F254-F260 HydrophobicContact CD2-CE2 3.46Å; F254-F260 VanDerWaalsContact CD2-CE2 3.46Å; F254-F260 HydrophobicContact CD2-CG 4.15Å; F254-F260 AromaticContact CD2-CZ 3.41Å; F254-F260 HydrophobicContact CD2-CZ 3.41Å; F254-F260 VanDerWaalsContact CD2-CZ 3.41Å; F254-F260 HydrophobicContact CE2-CD1 4.46Å; F254-F260 AromaticContact CE2-CE1 3.7Å; F254-F260 HydrophobicContact CE2-CE1 3.7Å; F254-F260 AromaticContact CE2-CE2 3.87Å; F254-F260 HydrophobicContact CE2-CE2 3.87Å; F254-F260 AromaticContact CE2-CZ 3.36Å; F254-F260 HydrophobicContact CE2-CZ 3.36Å; F254-F260 HydrophobicContact CG-CE2 4.46Å; F254-F260 WeakPolarHBondContact O-CB 3.27Å; F254-R272 HydrophobicContact CE1-CG 4.3Å
255	L	97.6	Very high	94.6	Very high	35 Å²	35	46.7 Å²	46.7	18%	0.183	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-64.3	-24.9	174.6	-65	174	0	0	0	113.2	Y252 S253 C257 F260 V344	Y252-L255 VanDerWaalsContact O-CB 3.31Å; Y252-L255 WeakPolarHBondContact O-CB 3.43Å; Y252-L255 WeakPolarHBondContact O-CG 3.48Å; Y252-L255 PolarHBondContact O-N 2.86Å; S253-L255 PolarHBondContact O-N 2.84Å; L255-C257 VanDerWaalsContact C-N 3.3Å; L255-F260 HydrophobicContact CD2-CD1 3.9Å; L255-F260 HydrophobicContact CD2-CE1 3.55Å; L255-F260 HydrophobicContact CD2-CZ 4.47Å; L255-V344 HydrophobicContact CD1-CB 4.27Å; L255-V344 HydrophobicContact CD1-CG1 3.76Å
256	N	96.7	Very high	94.9	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-81.1	-9.9	176.4	-68.8	-19	0	0	0	112.8	T240 I242 S253 F254 P258	T240-N256 WeakPolarHBondContact O-CB 3.37Å; T240-N256 PolarHBondContact O-ND2 3.34Å; I242-N256 WeakPolarHBondContact CG1-ND2 3.48Å; S253-N256 WeakPolarHBondContact O-CB 3.33Å; S253-N256 PolarHBondContact O-N 3.02Å; F254-N256 PolarHBondContact O-N 3.31Å; N256-P258 WeakPolarHBondContact O-CD 3.49Å
257	C	96.3	Very high	95.1	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.047	23%	0.225	C	C	.	.	S	Bend	trans	-67.9	123.6	176	177.9	0	0	0	0	109.7	F205 E238 T239 F254 L255 L259 F260	F205-C257 HydrophobicContact CD1-CB 3.71Å; F205-C257 HydrophobicContact CE1-CB 3.68Å; E238-C257 WeakPolarHBondContact O-CB 3.48Å; E238-C257 PolarHBondContact O-SG 2.85Å; T239-C257 PolarHBondContact OG1-N 2.79Å; F254-C257 VanDerWaalsContact O-CB 3.27Å; F254-C257 WeakPolarHBondContact O-CB 3.4Å; F254-C257 PolarHBondContact O-N 3.47Å; F254-C257 VanDerWaalsContact O-N 3.12Å; L255-C257 VanDerWaalsContact C-N 3.3Å; C257-L259 PolarHBondContact O-N 3.32Å; C257-F260 HydrophobicContact CB-CB 4.09Å; C257-F260 WeakPolarHBondContact O-CB 3.33Å; C257-F260 PolarHBondContact O-N 2.84Å
258	P	94	Very high	95.5	Very high	116 Å²	116	42.8 Å²	42.8	75%	0.753	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.3	-177.5	-26.9	35.3	0	0	0	114.4	N256	N256-P258 WeakPolarHBondContact O-CD 3.49Å
259	L	95.4	Very high	96	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.168	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.5	180	-61.4	-179.3	0	0	0	113.2	V221 L224 C257 R261 S262 L263	V221-L259 HydrophobicContact CG1-CD1 3.9Å; L224-L259 HydrophobicContact CD2-CB 4.21Å; L224-L259 HydrophobicContact CD2-CD2 4.17Å; L224-L259 HydrophobicContact CG-CD2 4.36Å; C257-L259 PolarHBondContact O-N 3.32Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.44Å; L259-S262 WeakPolarHBondContact O-CA 3.22Å; L259-S262 WeakPolarHBondContact O-CB 3.3Å; L259-S262 PolarHBondContact O-N 2.9Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 3.43Å
260	F	97.3	Very high	96.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-43.4	-166.6	179.6	-105.3	0	0	0	113.2	I155 F205 F254 L255 C257 S262 L263 F270 A337	I155-F260 HydrophobicContact CD1-CE2 3.74Å; I155-F260 HydrophobicContact CD1-CZ 4.2Å; F205-F260 HydrophobicContact CE1-CD2 4.16Å; F205-F260 AromaticContact CZ-CD2 3.84Å; F205-F260 HydrophobicContact CZ-CD2 3.84Å; F205-F260 HydrophobicContact CZ-CE2 4.46Å; F254-F260 HydrophobicContact CD2-CD1 4.1Å; F254-F260 AromaticContact CD2-CD2 3.83Å; F254-F260 HydrophobicContact CD2-CD2 3.83Å; F254-F260 AromaticContact CD2-CE1 3.75Å; F254-F260 HydrophobicContact CD2-CE1 3.75Å; F254-F260 AromaticContact CD2-CE2 3.46Å; F254-F260 HydrophobicContact CD2-CE2 3.46Å; F254-F260 VanDerWaalsContact CD2-CE2 3.46Å; F254-F260 HydrophobicContact CD2-CG 4.15Å; F254-F260 AromaticContact CD2-CZ 3.41Å; F254-F260 HydrophobicContact CD2-CZ 3.41Å; F254-F260 VanDerWaalsContact CD2-CZ 3.41Å; F254-F260 HydrophobicContact CE2-CD1 4.46Å; F254-F260 AromaticContact CE2-CE1 3.7Å; F254-F260 HydrophobicContact CE2-CE1 3.7Å; F254-F260 AromaticContact CE2-CE2 3.87Å; F254-F260 HydrophobicContact CE2-CE2 3.87Å; F254-F260 AromaticContact CE2-CZ 3.36Å; F254-F260 HydrophobicContact CE2-CZ 3.36Å; F254-F260 HydrophobicContact CG-CE2 4.46Å; F254-F260 WeakPolarHBondContact O-CB 3.27Å; L255-F260 HydrophobicContact CD2-CD1 3.9Å; L255-F260 HydrophobicContact CD2-CE1 3.55Å; L255-F260 HydrophobicContact CD2-CZ 4.47Å; C257-F260 HydrophobicContact CB-CB 4.09Å; C257-F260 WeakPolarHBondContact O-CB 3.33Å; C257-F260 PolarHBondContact O-N 2.84Å; F260-S262 PolarHBondContact O-N 3.2Å; F260-L263 HydrophobicContact CD2-CD1 4.33Å; F260-L263 WeakPolarHBondContact O-CB 3.32Å; F260-L263 PolarHBondContact O-N 3.49Å; F260-F270 HydrophobicContact CE2-CD2 4.4Å; F260-F270 AromaticContact CE2-CE2 3.84Å; F260-F270 HydrophobicContact CE2-CE2 3.84Å; F260-F270 HydrophobicContact CE2-CZ 4.13Å; F260-F270 HydrophobicContact CZ-CD2 4.33Å; F260-F270 AromaticContact CZ-CE2 3.94Å; F260-F270 HydrophobicContact CZ-CE2 3.94Å; F260-A337 HydrophobicContact CE1-CB 3.7Å; F260-A337 HydrophobicContact CZ-CB 4.07Å
261	R	95.5	Very high	96.5	Very high	103 Å²	103	36.7 Å²	36.7	39%	0.389	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-25.1	176.6	-73.9	-62.9	-175.8	171.4	0.9	113.5	L259 T264 N338 T341	L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.44Å; R261-T264 PolarHBondContact O-OG1 2.78Å; R261-N338 PolarHBondContact NH1-OD1 2.87Å; R261-T341 PolarHBondContact NH2-OG1 3.25Å
262	S	96.4	Very high	96.7	Very high	47 Å²	47	35.8 Å²	35.8	33%	0.329	19%	0.186	S	C	.	.	H	α-helix	trans	-81.3	-25.8	172.5	-55.3	0	0	0	0	112.5	L224 L259 F260 T264 H265	L224-S262 VanDerWaalsContact CD1-CB 3.42Å; L259-S262 WeakPolarHBondContact O-CA 3.22Å; L259-S262 WeakPolarHBondContact O-CB 3.3Å; L259-S262 PolarHBondContact O-N 2.9Å; F260-S262 PolarHBondContact O-N 3.2Å; S262-T264 PolarHBondContact O-N 2.94Å; S262-H265 PolarHBondContact O-N 3.4Å; S262-H265 VanDerWaalsContact O-N 3.09Å
263	L	96.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-26.8	174.9	-59.8	-178.1	0	0	0	112.5	L203 F205 L224 I227 L237 L259 F260 H265 I266 Y267 F270	L203-L263 HydrophobicContact CD1-CD1 4.27Å; F205-L263 HydrophobicContact CZ-CD1 4.03Å; L224-L263 HydrophobicContact CD2-CD2 3.78Å; I227-L263 HydrophobicContact CD1-CD2 3.35Å; L237-L263 HydrophobicContact CD2-CD1 3.85Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 3.43Å; F260-L263 HydrophobicContact CD2-CD1 4.33Å; F260-L263 WeakPolarHBondContact O-CB 3.32Å; F260-L263 PolarHBondContact O-N 3.49Å; L263-H265 PolarHBondContact O-N 2.88Å; L263-H265 VanDerWaalsContact O-N 3.14Å; L263-I266 HydrophobicContact CD2-CD1 4.23Å; L263-I266 PolarHBondContact O-N 2.91Å; L263-Y267 HydrophobicContact CB-CD2 4.15Å; L263-Y267 HydrophobicContact CB-CE2 4.37Å; L263-Y267 HydrophobicContact CD2-CE2 4.24Å; L263-Y267 PolarHBondContact O-N 3.06Å; L263-F270 HydrophobicContact CB-CE1 4.49Å; L263-F270 HydrophobicContact CB-CZ 3.8Å
264	T	96.4	Very high	96.6	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.104	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.2	175.5	63.3	0	0	0	0	113.3	R261 S262 F270 A333 A337	R261-T264 PolarHBondContact O-OG1 2.78Å; S262-T264 PolarHBondContact O-N 2.94Å; T264-F270 HydrophobicContact CG2-CE2 3.93Å; T264-A333 HydrophobicContact CG2-CB 4.45Å; T264-A337 HydrophobicContact CG2-CB 3.72Å
265	H	94.8	Very high	96.4	Very high	157 Å²	157	38.7 Å²	38.7	73%	0.727	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.8	173.4	-55.8	-55.8	0	0	0	113.1	S262 L263	S262-H265 PolarHBondContact O-N 3.4Å; S262-H265 VanDerWaalsContact O-N 3.09Å; L263-H265 PolarHBondContact O-N 2.88Å; L263-H265 VanDerWaalsContact O-N 3.14Å
266	I	94.9	Very high	96.2	Very high	44 Å²	44	37.9 Å²	37.9	23%	0.226	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-42.1	-178.9	-63.3	179.4	0	0	0	111	K151 L224 I227 L263	K151-I266 VanDerWaalsContact CD-O 3.3Å; K151-I266 WeakPolarHBondContact CD-O 3.1Å; L224-I266 HydrophobicContact CB-CD1 4.01Å; L224-I266 HydrophobicContact CD1-CD1 4.3Å; L224-I266 HydrophobicContact CD2-CD1 3.79Å; L224-I266 HydrophobicContact CG-CD1 4.23Å; I227-I266 HydrophobicContact CD1-CD1 4.11Å; I227-I266 HydrophobicContact CG2-CG2 4.2Å; L263-I266 HydrophobicContact CD2-CD1 4.23Å; L263-I266 PolarHBondContact O-N 2.91Å
267	Y	97.4	Very high	96.2	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	18%	0.178	C	C	.	.			trans	-97.6	138.9	-179.3	-64.7	-76.9	0	0	0	111.1	K151 D201 L203 L263 F270 A333	K151-Y267 HydrophobicContact CB-CD1 4.1Å; D201-Y267 HydrophobicContact CB-CE1 3.95Å; D201-Y267 WeakPolarHBondContact CB-OH 3.48Å; D201-Y267 WeakPolarHBondContact OD2-CE1 3.1Å; D201-Y267 VanDerWaalsContact OD2-CZ 3.3Å; D201-Y267 PolarHBondContact OD2-OH 3.1Å; L203-Y267 HydrophobicContact CD1-CD2 4.38Å; L203-Y267 HydrophobicContact CD1-CE2 3.84Å; L203-Y267 HydrophobicContact CD2-CE2 4.36Å; L263-Y267 HydrophobicContact CB-CD2 4.15Å; L263-Y267 HydrophobicContact CB-CE2 4.37Å; L263-Y267 HydrophobicContact CD2-CE2 4.24Å; L263-Y267 PolarHBondContact O-N 3.06Å; Y267-F270 HydrophobicContact CD2-CD1 4.45Å; Y267-F270 AromaticContact CD2-CE1 3.44Å; Y267-F270 HydrophobicContact CD2-CE1 3.44Å; Y267-F270 VanDerWaalsContact CD2-CE1 3.44Å; Y267-F270 AromaticContact CD2-CZ 3.99Å; Y267-F270 HydrophobicContact CD2-CZ 3.99Å; Y267-F270 HydrophobicContact CE2-CE1 4.27Å; Y267-F270 HydrophobicContact CG-CD1 4.38Å; Y267-F270 AromaticContact CG-CE1 3.74Å; Y267-F270 HydrophobicContact CG-CE1 3.74Å; Y267-F270 HydrophobicContact CG-CZ 4.48Å; Y267-A333 VanDerWaalsContact O-CB 3.24Å; Y267-A333 WeakPolarHBondContact O-CB 3.24Å
268	D	97.4	Very high	96.2	Very high	77 Å²	77	34 Å²	34	41%	0.412	18%	0.176	S	C	.	.	S	Bend	trans	-73.4	-42	173.2	-56.7	-59	0	0	0	109.8	L150 K151 K332 A333	L150-D268 HydrophobicContact CD2-CB 4.2Å; K151-D268 PolarHBondContact N-OD2 2.81Å; K151-D268 PolarHBondContact O-N 3.26Å; D268-K332 WeakPolarHBondContact O-CA 3.34Å; D268-A333 PolarHBondContact O-N 3.19Å; D268-A333 VanDerWaalsContact O-N 3.09Å
269	Y	98.6	Very high	96.4	Very high	26 Å²	26	28.4 Å²	28.4	10%	0.102	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.5	-176.2	-74.9	-101.3	0	0	0	111.3	L150 K151 I152 G153 P288 F330 G331 K332	L150-Y269 HydrophobicContact CD1-CD2 4.06Å; L150-Y269 HydrophobicContact CD1-CE2 4.22Å; L150-Y269 HydrophobicContact CD2-CD2 4.23Å; L150-Y269 HydrophobicContact CD2-CE2 4.18Å; K151-Y269 PolarHBondContact O-N 2.95Å; I152-Y269 WeakPolarHBondContact CA-O 3.42Å; G153-Y269 PolarHBondContact N-O 3.27Å; Y269-P288 HydrophobicContact CD1-CG 4.25Å; Y269-P288 HydrophobicContact CD2-CG 4.48Å; Y269-P288 HydrophobicContact CE1-CB 4.07Å; Y269-P288 HydrophobicContact CE1-CG 3.61Å; Y269-P288 HydrophobicContact CE2-CG 3.89Å; Y269-P288 VanDerWaalsContact CZ-CG 3.41Å; Y269-F330 HydrophobicContact CD1-CD1 4.06Å; Y269-F330 AromaticContact CD1-CE1 3.46Å; Y269-F330 HydrophobicContact CD1-CE1 3.46Å; Y269-F330 VanDerWaalsContact CD1-CE1 3.46Å; Y269-F330 AromaticContact CD1-CZ 3.91Å; Y269-F330 HydrophobicContact CD1-CZ 3.91Å; Y269-F330 HydrophobicContact CE1-CE1 4.05Å; Y269-F330 HydrophobicContact CG-CE1 4.03Å; Y269-F330 HydrophobicContact CG-CZ 4Å; Y269-G331 CarbonylContact C-O 3.52Å; Y269-G331 VanDerWaalsContact CA-O 3.27Å; Y269-G331 WeakPolarHBondContact CA-O 3.19Å; Y269-G331 WeakPolarHBondContact CD1-O 3.47Å; Y269-K332 HydrophobicContact CE1-CG 3.91Å; Y269-K332 HydrophobicContact CE2-CG 4.38Å
270	F	98.7	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.1	165.1	-72.5	-44.8	0	0	0	110.4	G153 I155 L203 F260 L263 T264 Y267 F330 G331 A333 L336	G153-F270 CarbonylContact O-C 3.59Å; G153-F270 VanDerWaalsContact O-CA 3.3Å; G153-F270 WeakPolarHBondContact O-CA 3.1Å; G153-F270 WeakPolarHBondContact O-CD1 2.84Å; I155-F270 HydrophobicContact CD1-CB 3.91Å; I155-F270 HydrophobicContact CD1-CD1 4.05Å; I155-F270 HydrophobicContact CD1-CD2 4.05Å; I155-F270 HydrophobicContact CD1-CG 3.77Å; I155-F270 HydrophobicContact CG1-CD1 4.24Å; I155-F270 HydrophobicContact CG1-CG 4.41Å; L203-F270 HydrophobicContact CD1-CD1 4.49Å; L203-F270 HydrophobicContact CD1-CE1 3.97Å; F260-F270 HydrophobicContact CE2-CD2 4.4Å; F260-F270 AromaticContact CE2-CE2 3.84Å; F260-F270 HydrophobicContact CE2-CE2 3.84Å; F260-F270 HydrophobicContact CE2-CZ 4.13Å; F260-F270 HydrophobicContact CZ-CD2 4.33Å; F260-F270 AromaticContact CZ-CE2 3.94Å; F260-F270 HydrophobicContact CZ-CE2 3.94Å; L263-F270 HydrophobicContact CB-CE1 4.49Å; L263-F270 HydrophobicContact CB-CZ 3.8Å; T264-F270 HydrophobicContact CG2-CE2 3.93Å; Y267-F270 HydrophobicContact CD2-CD1 4.45Å; Y267-F270 AromaticContact CD2-CE1 3.44Å; Y267-F270 HydrophobicContact CD2-CE1 3.44Å; Y267-F270 VanDerWaalsContact CD2-CE1 3.44Å; Y267-F270 AromaticContact CD2-CZ 3.99Å; Y267-F270 HydrophobicContact CD2-CZ 3.99Å; Y267-F270 HydrophobicContact CE2-CE1 4.27Å; Y267-F270 HydrophobicContact CG-CD1 4.38Å; Y267-F270 AromaticContact CG-CE1 3.74Å; Y267-F270 HydrophobicContact CG-CE1 3.74Å; Y267-F270 HydrophobicContact CG-CZ 4.48Å; F270-F330 WeakPolarHBondContact O-CA 3.31Å; F270-G331 PolarHBondContact N-O 3.49Å; F270-G331 PolarHBondContact O-N 2.94Å; F270-A333 HydrophobicContact CD2-CB 3.62Å; F270-A333 HydrophobicContact CE2-CB 3.63Å; F270-A333 HydrophobicContact CG-CB 4.17Å; F270-A333 HydrophobicContact CZ-CB 4.17Å; F270-L336 HydrophobicContact CB-CD1 3.93Å; F270-L336 HydrophobicContact CB-CD2 4.08Å; F270-L336 HydrophobicContact CB-CG 4.43Å; F270-L336 HydrophobicContact CD2-CD2 4.31Å
271	L	98.6	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	103.5	161.6	177.4	62.8	0	0	0	107.2	G153 V154 I155 L279 L283 T328 W329 F330 L409	G153-L271 PolarHBondContact O-N 3.43Å; V154-L271 CarbonylContact C-O 3.45Å; V154-L271 WeakPolarHBondContact CA-O 3.11Å; V154-L271 HydrophobicContact CG1-CD2 4.22Å; V154-L271 HydrophobicContact CG1-CG 4.47Å; V154-L271 HydrophobicContact CG2-CB 4.25Å; V154-L271 HydrophobicContact CG2-CD2 4.17Å; I155-L271 PolarHBondContact N-O 2.83Å; L271-L279 HydrophobicContact CD2-CD2 3.78Å; L271-L283 HydrophobicContact CD2-CD1 4.21Å; L271-T328 HydrophobicContact CD1-CG2 3.55Å; L271-W329 CarbonylContact C-O 3.58Å; L271-W329 WeakPolarHBondContact CA-O 3.36Å; L271-F330 HydrophobicContact CB-CD2 4.01Å; L271-F330 HydrophobicContact CD1-CB 4.02Å; L271-F330 HydrophobicContact CD1-CD2 4.11Å; L271-L409 HydrophobicContact CD1-CD2 4.18Å
272	R	98	Very high	95.9	Very high	6 Å²	6	23.3 Å²	23.3	2%	0.023	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.4	170.8	177.9	-170.1	165.6	-141.4	-7.5	108.9	T251 Y252 F254 T328 W329 L336	T251-R272 PolarHBondContact OG1-NH2 3.25Å; Y252-R272 VanDerWaalsContact CZ-CZ 3.43Å; Y252-R272 PolarHBondContact OH-NH1 3.06Å; Y252-R272 PolarHBondContact OH-NH2 3.11Å; F254-R272 HydrophobicContact CE1-CG 4.3Å; R272-T328 WeakPolarHBondContact O-CA 3.24Å; R272-T328 WeakPolarHBondContact O-CG2 3.36Å; R272-W329 HydrophobicContact CB-CB 4.35Å; R272-W329 PolarHBondContact N-O 3.23Å; R272-W329 PolarHBondContact O-N 3.39Å; R272-L336 HydrophobicContact CB-CD1 4.21Å; R272-L336 HydrophobicContact CB-CD2 4.3Å
273	T	96.9	Very high	95.7	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.037	11%	0.106	C	C	.	.			trans	-148.5	167.3	-176.7	-173.4	0	0	0	0	112.3	V154 I155 V277 H424	V154-T273 HydrophobicContact CG1-CG2 3.9Å; I155-T273 PolarHBondContact O-N 2.95Å; T273-V277 HydrophobicContact CG2-CG2 4.03Å; T273-V277 WeakPolarHBondContact OG1-CG1 3.42Å; T273-V277 WeakPolarHBondContact OG1-CG2 3.34Å; T273-H424 PolarHBondContact OG1-NE2 3.21Å
274	D	93.8	Very high	95.5	Very high	45 Å²	45	21.1 Å²	21.1	24%	0.241	11%	0.106	C	C	.	.			trans	-78.3	176.2	169.4	-63.7	-46	0	0	0	110.5	D276 V277 S327 H426	D274-D276 WeakPolarHBondContact CB-OD1 3.38Å; D274-V277 HydrophobicContact CB-CG1 4.31Å; D274-V277 WeakPolarHBondContact O-CG2 3.45Å; D274-S327 PolarHBondContact OD2-OG 3.27Å; D274-S327 VanDerWaalsContact OD2-OG 3.08Å; D274-H426 IonicContact OD2-NE2 3.66Å
275	L	93.9	Very high	95.1	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	12%	0.116	C	C	.	.	S	Bend	trans	-86.2	-24.7	179.9	-65.5	-178.8	0	0	0	112.9	V157 L158 F166 E169 L170 L174 V277	V157-L275 WeakPolarHBondContact O-CD1 3.35Å; L158-L275 HydrophobicContact CD1-CD1 3.94Å; F166-L275 HydrophobicContact CB-CD1 3.91Å; F166-L275 HydrophobicContact CD1-CD1 4.46Å; E169-L275 CarbonylContact C-O 3.56Å; E169-L275 HydrophobicContact CB-CB 4.19Å; L170-L275 HydrophobicContact CB-CD1 4.36Å; L170-L275 HydrophobicContact CB-CD2 4.22Å; L170-L275 HydrophobicContact CD1-CD2 3.99Å; L174-L275 HydrophobicContact CD2-CD2 4Å; L275-V277 PolarHBondContact O-N 3.04Å
276	D	93.4	Very high	95	Very high	19 Å²	19	16.6 Å²	16.6	10%	0.102	9%	0.087	C	C	.	.	S	Bend	trans	-88.7	50.1	-173.8	66	-33.7	0	0	0	111.7	E169 F173 D274 H426 T427 K436	E169-D276 HydrophobicContact CB-CB 4.42Å; E169-D276 HydrophobicContact CG-CB 4.06Å; F173-D276 HydrophobicContact CD2-CB 4.48Å; D274-D276 WeakPolarHBondContact CB-OD1 3.38Å; D276-H426 IonicContact OD1-CD2 3.66Å; D276-H426 IonicContact OD1-NE2 3.47Å; D276-H426 PolarHBondContact OD1-NE2 2.98Å; D276-H426 IonicContact OD2-NE2 3.65Å; D276-T427 WeakPolarHBondContact CB-OG1 3.24Å; D276-T427 WeakPolarHBondContact O-CB 3.23Å; D276-T427 WeakPolarHBondContact O-CG2 3.18Å; D276-T427 PolarHBondContact O-N 2.89Å; D276-T427 PolarHBondContact O-OG1 3.02Å; D276-T427 PolarHBondContact OD2-OG1 3Å; D276-K436 IonicContact OD2-NZ 3.28Å; D276-K436 PolarHBondContact OD2-NZ 3.13Å
277	V	95.7	Very high	94.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.4	-170.1	-59.9	0	0	0	0	111.9	F173 L174 T273 D274 L275 H424 V425 H426	F173-V277 CarbonylContact C-O 3.52Å; F173-V277 VanDerWaalsContact CB-O 3.24Å; F173-V277 WeakPolarHBondContact CB-O 3.3Å; L174-V277 WeakPolarHBondContact CA-O 3.33Å; L174-V277 HydrophobicContact CB-CG2 4.33Å; L174-V277 HydrophobicContact CD1-CG2 3.94Å; L174-V277 PolarHBondContact N-O 2.87Å; T273-V277 HydrophobicContact CG2-CG2 4.03Å; T273-V277 WeakPolarHBondContact OG1-CG1 3.42Å; T273-V277 WeakPolarHBondContact OG1-CG2 3.34Å; D274-V277 HydrophobicContact CB-CG1 4.31Å; D274-V277 WeakPolarHBondContact O-CG2 3.45Å; L275-V277 PolarHBondContact O-N 3.04Å; V277-H424 WeakPolarHBondContact CB-NE2 3.48Å; V277-H424 WeakPolarHBondContact CG1-NE2 3.22Å; V277-V425 CarbonylContact C-O 3.59Å; V277-V425 WeakPolarHBondContact CA-O 3.41Å; V277-V425 WeakPolarHBondContact CB-O 3.44Å; V277-H426 HydrophobicContact CG1-CB 4.4Å
278	F	97	Very high	94.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133	169.2	-58.6	-97.2	0	0	0	110.1	F173 V425 T427 F434 Y473 C474 I477 A478	F173-F278 HydrophobicContact CB-CD1 4.15Å; F173-F278 HydrophobicContact CB-CD2 4.39Å; F173-F278 HydrophobicContact CB-CE1 3.81Å; F173-F278 HydrophobicContact CB-CE2 4.07Å; F173-F278 HydrophobicContact CB-CG 4.43Å; F173-F278 HydrophobicContact CB-CZ 3.77Å; F173-F278 AromaticContact CD1-CE1 3.78Å; F173-F278 HydrophobicContact CD1-CE1 3.78Å; F173-F278 HydrophobicContact CD1-CE2 4.13Å; F173-F278 AromaticContact CD1-CZ 3.33Å; F173-F278 HydrophobicContact CD1-CZ 3.33Å; F173-F278 HydrophobicContact CD2-CE2 4.4Å; F173-F278 HydrophobicContact CD2-CZ 4.36Å; F173-F278 HydrophobicContact CE1-CZ 4.04Å; F173-F278 HydrophobicContact CG-CE1 4.04Å; F173-F278 AromaticContact CG-CE2 3.96Å; F173-F278 HydrophobicContact CG-CE2 3.96Å; F173-F278 AromaticContact CG-CZ 3.57Å; F173-F278 HydrophobicContact CG-CZ 3.57Å; F278-V425 HydrophobicContact CB-CB 4.29Å; F278-V425 PolarHBondContact N-O 3.41Å; F278-V425 PolarHBondContact O-N 3.23Å; F278-T427 HydrophobicContact CD2-CG2 3.92Å; F278-T427 HydrophobicContact CE2-CG2 3.48Å; F278-T427 VanDerWaalsContact CE2-CG2 3.48Å; F278-F434 HydrophobicContact CE2-CD1 4.32Å; F278-F434 AromaticContact CE2-CE1 3.72Å; F278-F434 HydrophobicContact CE2-CE1 3.72Å; F278-F434 HydrophobicContact CE2-CZ 4.07Å; F278-F434 AromaticContact CZ-CE1 3.92Å; F278-F434 HydrophobicContact CZ-CE1 3.92Å; F278-F434 HydrophobicContact CZ-CE2 4.4Å; F278-F434 AromaticContact CZ-CZ 3.77Å; F278-F434 HydrophobicContact CZ-CZ 3.77Å; F278-Y473 HydrophobicContact CB-CE1 3.88Å; F278-C474 HydrophobicContact CD2-CB 4.04Å; F278-C474 VanDerWaalsContact CD2-SG 3.58Å; F278-C474 HydrophobicContact CE2-CB 3.71Å; F278-C474 HydrophobicContact CZ-CB 3.98Å; F278-I477 HydrophobicContact CD1-CB 3.97Å; F278-I477 HydrophobicContact CD1-CG2 3.8Å; F278-I477 HydrophobicContact CE1-CB 3.87Å; F278-I477 HydrophobicContact CE1-CG2 3.78Å; F278-A478 HydrophobicContact CE1-CB 4.28Å; F278-A478 HydrophobicContact CZ-CB 4.12Å
279	L	97	Very high	94.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.9	170.9	-58.1	-175.4	0	0	0	109.9	V154 L174 S177 W178 I181 L271 L283 Y473	V154-L279 HydrophobicContact CG1-CD1 4.27Å; V154-L279 HydrophobicContact CG1-CD2 4.21Å; V154-L279 HydrophobicContact CG2-CD1 4.09Å; L174-L279 HydrophobicContact CD1-CD1 3.99Å; L174-L279 HydrophobicContact CD1-CD2 4.07Å; L174-L279 HydrophobicContact CD1-CG 3.85Å; S177-L279 PolarHBondContact OG-N 3.23Å; W178-L279 HydrophobicContact CB-CD1 3.98Å; I181-L279 HydrophobicContact CD1-CB 3.35Å; I181-L279 HydrophobicContact CD1-CD1 4.48Å; L271-L279 HydrophobicContact CD2-CD2 3.78Å; L279-L283 HydrophobicContact CB-CD1 3.94Å; L279-L283 HydrophobicContact CD2-CD1 3.98Å; L279-L283 HydrophobicContact CG-CD1 4.37Å; L279-Y473 PolarHBondContact O-OH 3.32Å
280	S	94.3	Very high	94	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.			trans	-101.5	147.9	176	170.4	0	0	0	0	112.7	I181 T282 L283 I419 H422 L423	I181-S280 VanDerWaalsContact CD1-C 3.5Å; I181-S280 VanDerWaalsContact CD1-O 3.29Å; I181-S280 WeakPolarHBondContact CD1-O 3.46Å; S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 3.07Å; S280-T282 PolarHBondContact OG-OG1 3.41Å; S280-L283 WeakPolarHBondContact O-CB 3.21Å; S280-L283 PolarHBondContact O-N 3.3Å; S280-I419 PolarHBondContact OG-O 3.22Å; S280-I419 VanDerWaalsContact OG-O 3.04Å; S280-H422 WeakPolarHBondContact CB-O 3.11Å; S280-H422 PolarHBondContact OG-O 3.12Å; S280-L423 WeakPolarHBondContact CB-O 3.46Å; S280-L423 PolarHBondContact N-O 3.05Å
281	P	91.3	Very high	93.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-51.8	-26.3	170.4	-26.2	34.2	0	0	0	114.5	I181 E184 L283 L284 V465	I181-P281 HydrophobicContact CG1-CG 4.41Å; E184-P281 WeakPolarHBondContact OE2-CG 3.49Å; P281-L283 PolarHBondContact O-N 3.22Å; P281-L283 VanDerWaalsContact O-N 3.13Å; P281-L284 WeakPolarHBondContact O-CB 3.43Å; P281-L284 PolarHBondContact O-N 3.12Å; P281-V465 HydrophobicContact CG-CG2 3.68Å
282	T	92	Very high	93.7	Very high	27 Å²	27	25.3 Å²	25.3	17%	0.166	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.7	177.7	-51.2	0	0	0	0	112.8	S280 L284 T285 Y286 S420 H422 L423	S280-T282 PolarHBondContact O-N 2.85Å; S280-T282 PolarHBondContact OG-N 3.07Å; S280-T282 PolarHBondContact OG-OG1 3.41Å; T282-L284 PolarHBondContact O-N 3.25Å; T282-T285 PolarHBondContact O-N 3.02Å; T282-T285 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact O-OG1 3.42Å; T282-Y286 WeakPolarHBondContact O-CB 3.3Å; T282-Y286 PolarHBondContact O-N 2.72Å; T282-S420 VanDerWaalsContact OG1-CA 3.26Å; T282-S420 WeakPolarHBondContact OG1-CA 3.24Å; T282-S420 PolarHBondContact OG1-O 3.04Å; T282-H422 VanDerWaalsContact CB-O 3.27Å; T282-H422 WeakPolarHBondContact CB-O 3.43Å; T282-H422 PolarHBondContact OG1-O 2.82Å; T282-L423 HydrophobicContact CG2-CD2 3.67Å
283	L	93.5	Very high	93.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-58.5	-28.1	174	-76.9	168.5	0	0	0	113.1	N198 I200 L271 L279 S280 P281 T285 L423	N198-L283 PolarHBondContact ND2-O 3.06Å; I200-L283 HydrophobicContact CD1-CB 3.58Å; L271-L283 HydrophobicContact CD2-CD1 4.21Å; L279-L283 HydrophobicContact CB-CD1 3.94Å; L279-L283 HydrophobicContact CD2-CD1 3.98Å; L279-L283 HydrophobicContact CG-CD1 4.37Å; S280-L283 WeakPolarHBondContact O-CB 3.21Å; S280-L283 PolarHBondContact O-N 3.3Å; P281-L283 PolarHBondContact O-N 3.22Å; P281-L283 VanDerWaalsContact O-N 3.13Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å; L283-L423 WeakPolarHBondContact CD1-O 3.24Å; L283-L423 HydrophobicContact CD2-CB 4.01Å; L283-L423 HydrophobicContact CD2-CD2 4.23Å; L283-L423 HydrophobicContact CG-CB 4.3Å; L283-L423 HydrophobicContact CG-CD2 4.46Å
284	L	91.2	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-67.2	-27.6	179.1	-74.4	172.7	0	0	0	113	K145 F147 I181 L187 Y197 N198 I200 P281 T282	K145-L284 HydrophobicContact CD-CD1 4.44Å; F147-L284 HydrophobicContact CE1-CD2 4.25Å; I181-L284 HydrophobicContact CG2-CD1 3.39Å; I181-L284 HydrophobicContact CG2-CD2 3.88Å; I181-L284 HydrophobicContact CG2-CG 3.36Å; I181-L284 VanDerWaalsContact O-CD1 3.28Å; I181-L284 WeakPolarHBondContact O-CD1 3.45Å; L187-L284 HydrophobicContact CD1-CD1 3.44Å; L187-L284 VanDerWaalsContact CD1-CD1 3.44Å; Y197-L284 HydrophobicContact CD1-CB 3.93Å; N198-L284 PolarHBondContact N-O 3.31Å; N198-L284 WeakPolarHBondContact O-CD2 3.37Å; I200-L284 HydrophobicContact CD1-CD2 3.77Å; I200-L284 HydrophobicContact CD1-CG 4.1Å; I200-L284 HydrophobicContact CG1-CD2 4.44Å; P281-L284 WeakPolarHBondContact O-CB 3.43Å; P281-L284 PolarHBondContact O-N 3.12Å; T282-L284 PolarHBondContact O-N 3.25Å
285	T	89.6	Confident	93.7	Very high	49 Å²	49	22.7 Å²	22.7	30%	0.301	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-10.2	-174.5	60.9	0	0	0	0	112.7	F195 Y197 T282 L283 R287	F195-T285 HydrophobicContact CE1-CG2 3.67Å; F195-T285 HydrophobicContact CZ-CG2 3.78Å; Y197-T285 HydrophobicContact CD1-CG2 4Å; Y197-T285 HydrophobicContact CE1-CG2 3.86Å; T282-T285 PolarHBondContact O-N 3.02Å; T282-T285 VanDerWaalsContact O-N 3.13Å; T282-T285 PolarHBondContact O-OG1 3.42Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 3.24Å; T285-R287 PolarHBondContact O-NH1 2.93Å; T285-R287 VanDerWaalsContact O-NH1 3.12Å
286	Y	92.5	Very high	93.5	Very high	30 Å²	30	28 Å²	28	12%	0.118	14%	0.144	C	C	.	.			trans	-58.6	138.5	-177.4	-173.5	-114.4	0	0	0	112.7	N198 T282 P288 I293 F330 L408 L423	N198-Y286 PolarHBondContact ND2-O 2.8Å; T282-Y286 WeakPolarHBondContact O-CB 3.3Å; T282-Y286 PolarHBondContact O-N 2.72Å; Y286-P288 HydrophobicContact CE1-CB 3.94Å; Y286-I293 HydrophobicContact CE1-CD1 4.4Å; Y286-I293 WeakPolarHBondContact OH-CD1 3.27Å; Y286-F330 HydrophobicContact CD1-CE1 4.15Å; Y286-F330 HydrophobicContact CD1-CZ 4.16Å; Y286-F330 HydrophobicContact CE1-CD1 4.21Å; Y286-F330 AromaticContact CE1-CE1 3.85Å; Y286-F330 HydrophobicContact CE1-CE1 3.85Å; Y286-F330 HydrophobicContact CE1-CZ 4.32Å; Y286-L408 HydrophobicContact CE2-CD1 4.22Å; Y286-L423 HydrophobicContact CD1-CD1 3.71Å; Y286-L423 HydrophobicContact CD1-CD2 4.3Å; Y286-L423 HydrophobicContact CD2-CD1 3.79Å; Y286-L423 HydrophobicContact CD2-CD2 3.65Å; Y286-L423 HydrophobicContact CD2-CG 4.25Å; Y286-L423 HydrophobicContact CE1-CD1 3.64Å; Y286-L423 HydrophobicContact CE2-CD1 3.74Å; Y286-L423 HydrophobicContact CE2-CD2 4.36Å; Y286-L423 HydrophobicContact CG-CD1 3.78Å; Y286-L423 HydrophobicContact CG-CD2 3.61Å; Y286-L423 HydrophobicContact CG-CG 4.35Å
287	R	92	Very high	93.1	Very high	101 Å²	101	27.7 Å²	27.7	38%	0.381	14%	0.144	S	C	.	.			trans	-128.5	113.3	173.3	-65.2	-62.7	-179.4	-84.3	4.2	108.4	L196 N198 T285	L196-R287 PolarHBondContact O-NH2 2.58Å; N198-R287 VanDerWaalsContact CG-NH1 3.33Å; N198-R287 PolarHBondContact ND2-NH1 2.93Å; N198-R287 PolarHBondContact OD1-NH1 2.97Å; T285-R287 PolarHBondContact O-NH1 2.93Å; T285-R287 VanDerWaalsContact O-NH1 3.12Å
288	P	92	Very high	92.6	Very high	27 Å²	27	30.5 Å²	30.5	18%	0.175	17%	0.167	C	C	.	.			trans	-70.6	134.9	-177.6	27.9	-31.6	0	0	0	111	L150 Y269 Y286 F330	L150-P288 VanDerWaalsContact CD1-CD 3.44Å; L150-P288 HydrophobicContact CD1-CG 3.99Å; Y269-P288 HydrophobicContact CD1-CG 4.25Å; Y269-P288 HydrophobicContact CD2-CG 4.48Å; Y269-P288 HydrophobicContact CE1-CB 4.07Å; Y269-P288 HydrophobicContact CE1-CG 3.61Å; Y269-P288 HydrophobicContact CE2-CG 3.89Å; Y269-P288 VanDerWaalsContact CZ-CG 3.41Å; Y286-P288 HydrophobicContact CE1-CB 3.94Å; P288-F330 HydrophobicContact CB-CE1 3.9Å; P288-F330 HydrophobicContact CG-CE1 4.03Å
289	T	90	Very high	92.3	Very high	120 Å²	120	30.7 Å²	30.7	74%	0.736	17%	0.168	S	C	*	.	S	Bend	trans	-92.2	-13.3	172.1	55.3	0	0	0	0	112.7
290	K	93.2	Very high	92	Very high	54 Å²	54	31.4 Å²	31.4	24%	0.235	17%	0.173	C	C	.	.	S	Bend	trans	-119.2	155.9	178.1	-59.5	-64.7	-176.9	174.7	0	110.4	F292 I293 E402 T403	K290-F292 PolarHBondContact O-N 3.36Å; K290-I293 HydrophobicContact CB-CG2 3.92Å; K290-I293 HydrophobicContact CG-CG2 4.38Å; K290-E402 WeakPolarHBondContact CE-OE2 3.27Å; K290-E402 IonicContact NZ-OE2 2.85Å; K290-E402 PolarHBondContact NZ-OE2 2.95Å; K290-T403 HydrophobicContact CB-CG2 4.26Å; K290-T403 HydrophobicContact CD-CG2 4.37Å; K290-T403 HydrophobicContact CG-CG2 4.07Å
291	S	93.5	Very high	91.9	Very high	35 Å²	35	34 Å²	34	25%	0.245	19%	0.189	C	C	.	.	S	Bend	trans	-70.1	-24.5	177.7	72.7	0	0	0	0	112.5	G331 K332	S291-G331 CarbonylContact O-C 3.3Å; S291-G331 VanDerWaalsContact O-CA 3.27Å; S291-G331 WeakPolarHBondContact O-CA 3.3Å; S291-K332 PolarHBondContact O-N 2.97Å
292	F	97.4	Very high	92.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.7	-179.2	-173.1	-86.5	0	0	0	109.2	K290 T294 W329 F330 L335 L339 L392 L396 T403	K290-F292 PolarHBondContact O-N 3.36Å; F292-T294 HydrophobicContact CE1-CG2 4.47Å; F292-W329 HydrophobicContact CE1-CG 4.45Å; F292-W329 HydrophobicContact CE2-CB 3.91Å; F292-W329 HydrophobicContact CE2-CD2 4.12Å; F292-W329 HydrophobicContact CE2-CE3 4.21Å; F292-W329 HydrophobicContact CE2-CG 4.05Å; F292-W329 HydrophobicContact CZ-CB 3.73Å; F292-W329 AromaticContact CZ-CD1 3.82Å; F292-W329 AromaticContact CZ-CD2 3.62Å; F292-W329 HydrophobicContact CZ-CD2 3.62Å; F292-W329 AromaticContact CZ-CE2 3.94Å; F292-W329 HydrophobicContact CZ-CE3 4.12Å; F292-W329 AromaticContact CZ-CG 3.47Å; F292-W329 HydrophobicContact CZ-CG 3.47Å; F292-W329 VanDerWaalsContact CZ-CG 3.47Å; F292-F330 CarbonylContact C-O 3.54Å; F292-F330 WeakPolarHBondContact CA-O 3.4Å; F292-L335 HydrophobicContact CB-CD2 3.91Å; F292-L335 HydrophobicContact CD2-CD2 4.48Å; F292-L339 HydrophobicContact CD2-CD1 3.87Å; F292-L339 HydrophobicContact CE2-CD1 3.69Å; F292-L339 HydrophobicContact CG-CD1 4.49Å; F292-L339 HydrophobicContact CZ-CD1 4.17Å; F292-L392 HydrophobicContact CD1-CD2 4.45Å; F292-L392 HydrophobicContact CE1-CD1 4.13Å; F292-L392 HydrophobicContact CE1-CD2 3.67Å; F292-L392 HydrophobicContact CZ-CD1 4.38Å; F292-L392 HydrophobicContact CZ-CD2 3.73Å; F292-L396 HydrophobicContact CB-CD1 4.02Å; F292-L396 HydrophobicContact CB-CD2 4.28Å; F292-L396 HydrophobicContact CD1-CD2 3.58Å; F292-L396 HydrophobicContact CE1-CD2 4.24Å; F292-L396 HydrophobicContact CG-CD1 4.42Å; F292-L396 HydrophobicContact CG-CD2 4.2Å; F292-T403 WeakPolarHBondContact O-CG2 3.27Å
293	I	97.4	Very high	92.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.8	167.3	64.7	169.6	0	0	0	109	Y286 K290 F330 T403 L408 L409 L423	Y286-I293 HydrophobicContact CE1-CD1 4.4Å; Y286-I293 WeakPolarHBondContact OH-CD1 3.27Å; K290-I293 HydrophobicContact CB-CG2 3.92Å; K290-I293 HydrophobicContact CG-CG2 4.38Å; I293-F330 HydrophobicContact CD1-CB 4.31Å; I293-F330 HydrophobicContact CD1-CD1 4.32Å; I293-F330 HydrophobicContact CG1-CB 3.78Å; I293-F330 HydrophobicContact CG1-CD1 4.09Å; I293-F330 HydrophobicContact CG1-CG 4.37Å; I293-F330 PolarHBondContact N-O 2.89Å; I293-F330 PolarHBondContact O-N 2.93Å; I293-F330 VanDerWaalsContact O-O 3.08Å; I293-T403 CarbonylContact C-O 3.59Å; I293-T403 WeakPolarHBondContact CA-O 3.43Å; I293-T403 WeakPolarHBondContact CB-O 3.23Å; I293-L408 HydrophobicContact CD1-CD1 4.47Å; I293-L409 HydrophobicContact CD1-CD1 3.94Å; I293-L409 HydrophobicContact CD1-CG 4.32Å; I293-L409 HydrophobicContact CG1-CD1 3.8Å; I293-L423 HydrophobicContact CD1-CD1 4.48Å
294	T	97.2	Very high	92.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.9	-179.5	-174.2	0	0	0	0	109.4	F292 I325 G326 T328 T403 I404 R405	F292-T294 HydrophobicContact CE1-CG2 4.47Å; T294-I325 HydrophobicContact CG2-CG2 3.54Å; T294-G326 PolarHBondContact OG1-O 2.9Å; T294-T328 WeakPolarHBondContact CA-O 3.39Å; T294-T328 PolarHBondContact OG1-O 3.05Å; T294-T403 PolarHBondContact N-O 3.03Å; T294-I404 HydrophobicContact CG2-CB 4.46Å; T294-I404 HydrophobicContact CG2-CG1 3.93Å; T294-I404 CarbonylContact O-C 3.45Å; T294-R405 PolarHBondContact O-N 2.93Å
295	G	94	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-168.1	171.6	0	0	0	0	0	112.6	G326 T328 D410	G295-G326 WeakPolarHBondContact O-CA 3.05Å; G295-G326 PolarHBondContact O-N 2.9Å; G295-T328 PolarHBondContact N-O 2.87Å; G295-D410 VanDerWaalsContact CA-OD2 3.3Å; G295-D410 WeakPolarHBondContact CA-OD2 3.46Å
296	K	89.8	Confident	93.1	Very high	123 Å²	123	50.4 Å²	50.4	54%	0.535	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.7	177	-171.5	178.3	178	-178.4	0	109.9	I404	K296-I404 HydrophobicContact CB-CG2 4.45Å
297	G	85.1	Confident	93.3	Very high	11 Å²	11	49 Å²	49	11%	0.113	25%	0.251	C	S	.	.			trans	-80.4	171.4	172	0	0	0	0	0	112.3	N324	G297-N324 PolarHBondContact N-O 3.04Å
298	A	84.9	Confident	93.6	Very high	59 Å²	59	44.2 Å²	44.2	49%	0.488	23%	0.233	S	C	.	.			trans	-136	41.4	177.4	0	0	0	0	0	111.3	W375 W428	A298-W375 WeakPolarHBondContact O-CH2 3.27Å; A298-W375 WeakPolarHBondContact O-CZ2 3.16Å; A298-W428 HydrophobicContact CB-CH2 3.99Å; A298-W428 HydrophobicContact CB-CZ3 4.18Å
299	Y	89.6	Confident	93.9	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.016	24%	0.241	C	C	.	.			trans	-118.5	-1	-170.6	60.4	-97.1	0	0	0	115	L308 N324 I325 T382 M385 Y386 E389	Y299-L308 HydrophobicContact CE2-CD1 4.41Å; Y299-N324 PolarHBondContact N-OD1 3.47Å; Y299-I325 VanDerWaalsContact CE1-O 3.3Å; Y299-I325 WeakPolarHBondContact CE1-O 3.3Å; Y299-I325 PolarHBondContact OH-N 2.91Å; Y299-I325 PolarHBondContact OH-O 3.11Å; Y299-T382 HydrophobicContact CD2-CG2 4.19Å; Y299-T382 HydrophobicContact CG-CG2 3.94Å; Y299-M385 HydrophobicContact CD1-CB 3.95Å; Y299-M385 HydrophobicContact CD1-CE 3.68Å; Y299-M385 HydrophobicContact CD1-CG 4.31Å; Y299-M385 HydrophobicContact CD2-CB 4.49Å; Y299-M385 HydrophobicContact CE1-CB 3.79Å; Y299-M385 HydrophobicContact CE1-CE 3.29Å; Y299-M385 HydrophobicContact CE1-CG 4.39Å; Y299-M385 HydrophobicContact CE2-CB 4.31Å; Y299-M385 HydrophobicContact CG-CB 4.32Å; Y299-M385 PolarHBondContact OH-O 2.86Å; Y299-Y386 AromaticContact CD2-CD1 3.92Å; Y299-Y386 HydrophobicContact CD2-CD1 3.92Å; Y299-Y386 AromaticContact CD2-CE1 3.67Å; Y299-Y386 HydrophobicContact CD2-CE1 3.67Å; Y299-Y386 AromaticContact CE2-CD1 3.93Å; Y299-Y386 HydrophobicContact CE2-CD1 3.93Å; Y299-Y386 HydrophobicContact CE2-CE1 4.15Å; Y299-E389 WeakPolarHBondContact CE2-OE2 3.48Å; Y299-E389 VanDerWaalsContact CZ-OE2 3.32Å; Y299-E389 PolarHBondContact OH-OE2 2.03Å
300	C	90.4	Very high	94.2	Very high	15 Å²	15	45.4 Å²	45.4	10%	0.101	23%	0.228	C	C	.	.			trans	-107	124.6	179	-53.1	0	0	0	0	112.8	T304 R305 N324	C300-T304 HydrophobicContact CB-CG2 4.44Å; C300-R305 HydrophobicContact CB-CG 3.7Å; C300-N324 VanDerWaalsContact CB-OD1 3.31Å; C300-N324 WeakPolarHBondContact CB-OD1 3.26Å; C300-N324 PolarHBondContact N-OD1 3.28Å; C300-N324 PolarHBondContact SG-OD1 3.36Å
301	V	94.1	Very high	94.4	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.339	22%	0.217	S	C	.	.			trans	-101.8	177.4	156.5	-62.3	0	0	0	0	110.2	F303 T304 R305 A376 E377	V301-F303 VanDerWaalsContact C-N 3.25Å; V301-F303 HydrophobicContact CG2-CB 4.39Å; V301-F303 PolarHBondContact O-N 2.88Å; V301-T304 WeakPolarHBondContact CG2-OG1 3.49Å; V301-T304 PolarHBondContact N-OG1 2.79Å; V301-T304 WeakPolarHBondContact O-CB 3.44Å; V301-T304 PolarHBondContact O-N 2.78Å; V301-R305 WeakPolarHBondContact O-CG 3.42Å; V301-R305 PolarHBondContact O-N 3.01Å; V301-A376 HydrophobicContact CG1-CB 4.24Å; V301-E377 HydrophobicContact CG2-CB 4.41Å; V301-E377 HydrophobicContact CG2-CG 4.12Å
302	D	95.1	Very high	94.7	Very high	122 Å²	122	41.1 Å²	41.1	65%	0.652	21%	0.205	S	C	*	.	H	α-helix	trans	-55.1	-38.8	-176.2	-72.3	-9.8	0	0	0	113.5	K306	D302-K306 PolarHBondContact O-N 3.04Å
303	F	96.4	Very high	94.7	Very high	57 Å²	57	46.3 Å²	46.3	25%	0.25	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-54	174.2	179.8	-91.8	0	0	0	111.1	V301 R305 K306 H307 I363 F366 W378	V301-F303 VanDerWaalsContact C-N 3.25Å; V301-F303 HydrophobicContact CG2-CB 4.39Å; V301-F303 PolarHBondContact O-N 2.88Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 3.25Å; F303-K306 PolarHBondContact O-N 2.76Å; F303-H307 HydrophobicContact CD1-CB 4.35Å; F303-H307 HydrophobicContact CE1-CB 3.93Å; F303-H307 AromaticContact CE1-CG 4Å; F303-H307 HydrophobicContact CZ-CB 4.16Å; F303-H307 VanDerWaalsContact O-CB 3.27Å; F303-H307 WeakPolarHBondContact O-CB 3.49Å; F303-H307 PolarHBondContact O-N 3.03Å; F303-I363 HydrophobicContact CE1-CG2 4.37Å; F303-I363 HydrophobicContact CZ-CG2 4.11Å; F303-F366 HydrophobicContact CD1-CD2 4.3Å; F303-F366 AromaticContact CD1-CE2 3.62Å; F303-F366 HydrophobicContact CD1-CE2 3.62Å; F303-F366 HydrophobicContact CD1-CZ 4.26Å; F303-F366 AromaticContact CD2-CE2 3.83Å; F303-F366 HydrophobicContact CD2-CE2 3.83Å; F303-F366 HydrophobicContact CD2-CZ 4.16Å; F303-F366 AromaticContact CE1-CD2 3.97Å; F303-F366 HydrophobicContact CE1-CD2 3.97Å; F303-F366 AromaticContact CE1-CE2 3.53Å; F303-F366 HydrophobicContact CE1-CE2 3.53Å; F303-F366 AromaticContact CE2-CE2 3.73Å; F303-F366 HydrophobicContact CE2-CE2 3.73Å; F303-F366 HydrophobicContact CE2-CZ 4.45Å; F303-F366 AromaticContact CG-CE2 3.79Å; F303-F366 HydrophobicContact CG-CE2 3.79Å; F303-F366 HydrophobicContact CG-CZ 4.07Å; F303-F366 HydrophobicContact CZ-CD2 4.2Å; F303-F366 AromaticContact CZ-CE2 3.6Å; F303-F366 HydrophobicContact CZ-CE2 3.6Å; F303-W378 HydrophobicContact CE1-CB 4.1Å
304	T	95.6	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.3	-41.5	-178.5	-35	0	0	0	0	111.9	C300 V301 H307 L308 A376 E377 W378 Y386	C300-T304 HydrophobicContact CB-CG2 4.44Å; V301-T304 WeakPolarHBondContact CG2-OG1 3.49Å; V301-T304 PolarHBondContact N-OG1 2.79Å; V301-T304 WeakPolarHBondContact O-CB 3.44Å; V301-T304 PolarHBondContact O-N 2.78Å; T304-H307 PolarHBondContact O-N 3.18Å; T304-L308 HydrophobicContact CG2-CD1 3.98Å; T304-L308 HydrophobicContact CG2-CG 4.38Å; T304-L308 WeakPolarHBondContact O-CB 3.38Å; T304-L308 VanDerWaalsContact O-CG 3.24Å; T304-L308 WeakPolarHBondContact O-CG 3.33Å; T304-L308 PolarHBondContact O-N 2.73Å; T304-A376 PolarHBondContact OG1-O 3.04Å; T304-E377 WeakPolarHBondContact CB-O 3.43Å; T304-E377 PolarHBondContact OG1-O 2.63Å; T304-W378 HydrophobicContact CG2-CE3 4.06Å; T304-W378 HydrophobicContact CG2-CZ3 4.06Å; T304-Y386 HydrophobicContact CG2-CD1 4.49Å; T304-Y386 HydrophobicContact CG2-CE1 3.61Å
305	R	97.5	Very high	94.6	Very high	101 Å²	101	52.9 Å²	52.9	38%	0.381	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-54.3	-179.4	-67.7	-175.4	-169.2	-164.4	6.2	111.3	C300 V301 F303 H307 L308 E309 H323 N324	C300-R305 HydrophobicContact CB-CG 3.7Å; V301-R305 WeakPolarHBondContact O-CG 3.42Å; V301-R305 PolarHBondContact O-N 3.01Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 3.25Å; R305-H307 VanDerWaalsContact C-N 3.33Å; R305-H307 PolarHBondContact O-N 3.48Å; R305-L308 PolarHBondContact O-N 3.39Å; R305-E309 PolarHBondContact O-N 2.92Å; R305-H323 HydrophobicContact CG-CB 4.02Å; R305-H323 PolarHBondContact O-CE1 3.09Å; R305-N324 PolarHBondContact NH2-ND2 2.9Å
306	K	96.7	Very high	94.8	Very high	141 Å²	141	55.9 Å²	55.9	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-61.7	-44.2	178.6	-67	178	-178.2	178.4	0	111.3	D302 F303 L308 E309 E310	D302-K306 PolarHBondContact O-N 3.04Å; F303-K306 PolarHBondContact O-N 2.76Å; K306-L308 VanDerWaalsContact C-N 3.35Å; K306-L308 PolarHBondContact O-N 3.2Å; K306-E309 WeakPolarHBondContact O-CB 3.46Å; K306-E309 PolarHBondContact O-N 3.48Å; K306-E310 WeakPolarHBondContact O-CG 3.2Å; K306-E310 PolarHBondContact O-N 2.84Å
307	H	97.1	Very high	95.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-34.6	-178	-165	55.5	0	0	0	112.5	F303 T304 R305 E310 V311 E362 W378	F303-H307 HydrophobicContact CD1-CB 4.35Å; F303-H307 HydrophobicContact CE1-CB 3.93Å; F303-H307 AromaticContact CE1-CG 4Å; F303-H307 HydrophobicContact CZ-CB 4.16Å; F303-H307 VanDerWaalsContact O-CB 3.27Å; F303-H307 WeakPolarHBondContact O-CB 3.49Å; F303-H307 PolarHBondContact O-N 3.03Å; T304-H307 PolarHBondContact O-N 3.18Å; R305-H307 VanDerWaalsContact C-N 3.33Å; R305-H307 PolarHBondContact O-N 3.48Å; H307-E310 IonicContact ND1-OE2 3.35Å; H307-E310 PolarHBondContact ND1-OE2 3.5Å; H307-E310 PolarHBondContact O-N 3.21Å; H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 WeakPolarHBondContact O-CG2 3.37Å; H307-V311 PolarHBondContact O-N 3.02Å; H307-E362 IonicContact CE1-OE1 3.11Å; H307-E362 PolarHBondContact CE1-OE1 2.83Å; H307-E362 IonicContact ND1-OE1 2.93Å; H307-W378 AromaticContact CD2-CD2 3.61Å; H307-W378 AromaticContact CD2-CE2 3.47Å; H307-W378 VanDerWaalsContact CD2-CE2 3.47Å; H307-W378 AromaticContact CD2-CE3 3.71Å; H307-W378 AromaticContact CD2-CH2 3.63Å; H307-W378 AromaticContact CD2-CZ2 3.5Å; H307-W378 AromaticContact CD2-CZ3 3.73Å; H307-W378 AromaticContact NE2-CE2 3.7Å; H307-W378 AromaticContact NE2-CZ2 3.75Å; H307-W378 AromaticContact NE2-NE1 3.92Å
308	L	97.7	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-37.2	173.1	-77	170.4	0	0	0	112.8	Y299 T304 R305 K306 A312 W378 Y386 E389 I390	Y299-L308 HydrophobicContact CE2-CD1 4.41Å; T304-L308 HydrophobicContact CG2-CD1 3.98Å; T304-L308 HydrophobicContact CG2-CG 4.38Å; T304-L308 WeakPolarHBondContact O-CB 3.38Å; T304-L308 VanDerWaalsContact O-CG 3.24Å; T304-L308 WeakPolarHBondContact O-CG 3.33Å; T304-L308 PolarHBondContact O-N 2.73Å; R305-L308 PolarHBondContact O-N 3.39Å; K306-L308 VanDerWaalsContact C-N 3.35Å; K306-L308 PolarHBondContact O-N 3.2Å; L308-A312 WeakPolarHBondContact O-CB 3.38Å; L308-A312 PolarHBondContact O-N 3.49Å; L308-W378 HydrophobicContact CD2-CH2 3.74Å; L308-W378 HydrophobicContact CD2-CZ3 3.83Å; L308-W378 HydrophobicContact CG-CH2 4.3Å; L308-W378 HydrophobicContact CG-CZ3 3.95Å; L308-Y386 HydrophobicContact CD1-CD1 3.9Å; L308-Y386 HydrophobicContact CD1-CE1 4.36Å; L308-Y386 HydrophobicContact CD2-CD1 3.85Å; L308-Y386 HydrophobicContact CD2-CD2 4.5Å; L308-Y386 HydrophobicContact CD2-CG 3.75Å; L308-Y386 HydrophobicContact CG-CD1 4.37Å; L308-E389 VanDerWaalsContact CD1-OE1 3.25Å; L308-E389 WeakPolarHBondContact CD1-OE1 3.35Å; L308-I390 HydrophobicContact CD2-CD1 4.31Å
309	E	98.3	Very high	96.4	Very high	71 Å²	71	55.3 Å²	55.3	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-44.5	172.7	-69.3	178.9	-168.5	0	0	111.4	R305 K306 A312 N313 H319 G321 H323	R305-E309 PolarHBondContact O-N 2.92Å; K306-E309 WeakPolarHBondContact O-CB 3.46Å; K306-E309 PolarHBondContact O-N 3.48Å; E309-A312 PolarHBondContact O-N 3.46Å; E309-N313 WeakPolarHBondContact O-CB 3.39Å; E309-N313 PolarHBondContact O-N 3.11Å; E309-N313 PolarHBondContact O-ND2 3.04Å; E309-N313 VanDerWaalsContact O-ND2 3.16Å; E309-H319 HydrophobicContact CG-CB 4.31Å; E309-H319 WeakPolarHBondContact CG-ND1 3.08Å; E309-G321 WeakPolarHBondContact OE1-CA 3.41Å; E309-H323 IonicContact OE1-CE1 3.21Å; E309-H323 IonicContact OE1-NE2 3.48Å; E309-H323 PolarHBondContact OE1-NE2 2.84Å; E309-H323 VanDerWaalsContact OE1-NE2 3.13Å
310	E	97.4	Very high	96.7	Very high	101 Å²	101	58.7 Å²	58.7	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-48.4	177.1	-70	168.1	177.6	0	0	111.8	K306 H307 N313 R314	K306-E310 WeakPolarHBondContact O-CG 3.2Å; K306-E310 PolarHBondContact O-N 2.84Å; H307-E310 IonicContact ND1-OE2 3.35Å; H307-E310 PolarHBondContact ND1-OE2 3.5Å; H307-E310 PolarHBondContact O-N 3.21Å; E310-N313 PolarHBondContact O-N 2.85Å; E310-R314 VanDerWaalsContact O-CB 3.24Å; E310-R314 WeakPolarHBondContact O-CB 3.47Å; E310-R314 PolarHBondContact O-N 2.88Å
311	V	98	Very high	96.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-47.4	176.3	170	0	0	0	0	110.3	H307 N313 R314 L315 L350 E354 W378 I390	H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 WeakPolarHBondContact O-CG2 3.37Å; H307-V311 PolarHBondContact O-N 3.02Å; V311-N313 PolarHBondContact O-N 2.87Å; V311-R314 PolarHBondContact O-N 3.23Å; V311-L315 HydrophobicContact CG1-CD1 3.9Å; V311-L315 HydrophobicContact CG1-CG 4.33Å; V311-L315 WeakPolarHBondContact O-CB 3.35Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 2.95Å; V311-L350 HydrophobicContact CG1-CD2 3.52Å; V311-E354 HydrophobicContact CG1-CG 4.08Å; V311-W378 HydrophobicContact CG2-CH2 4.26Å; V311-W378 HydrophobicContact CG2-CZ2 4.24Å; V311-I390 HydrophobicContact CG1-CD1 4.12Å
312	A	98.4	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-50.2	177.9	0	0	0	0	0	111.3	L308 E309 R314 L315 G316 Y317 H319 I390	L308-A312 WeakPolarHBondContact O-CB 3.38Å; L308-A312 PolarHBondContact O-N 3.49Å; E309-A312 PolarHBondContact O-N 3.46Å; A312-R314 PolarHBondContact O-N 3.28Å; A312-L315 CarbonylContact O-C 3.54Å; A312-L315 PolarHBondContact O-N 3.47Å; A312-G316 PolarHBondContact O-N 3.31Å; A312-G316 VanDerWaalsContact O-N 3.08Å; A312-Y317 CarbonylContact C-O 3.53Å; A312-Y317 VanDerWaalsContact C-O 3.24Å; A312-Y317 PolarHBondContact O-N 3.31Å; A312-H319 HydrophobicContact CB-CB 3.81Å; A312-I390 HydrophobicContact CB-CD1 4.12Å; A312-I390 HydrophobicContact CB-CG1 4.05Å; A312-I390 HydrophobicContact CB-CG2 3.9Å
313	N	97.6	Very high	97	Very high	108 Å²	108	54.4 Å²	54.4	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-60	-45.6	177.9	-72.6	-28.1	0	0	0	111.7	E309 E310 V311 L315 G316	E309-N313 WeakPolarHBondContact O-CB 3.39Å; E309-N313 PolarHBondContact O-N 3.11Å; E309-N313 PolarHBondContact O-ND2 3.04Å; E309-N313 VanDerWaalsContact O-ND2 3.16Å; E310-N313 PolarHBondContact O-N 2.85Å; V311-N313 PolarHBondContact O-N 2.87Å; N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 3.4Å; N313-G316 PolarHBondContact O-N 2.74Å; N313-G316 VanDerWaalsContact O-N 3.09Å
314	R	96.3	Very high	96.7	Very high	110 Å²	110	52.5 Å²	52.5	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-35	177.1	178.9	166.5	60.7	-147.8	1	112.4	E310 V311 A312 G316 E354 H360 E362	E310-R314 VanDerWaalsContact O-CB 3.24Å; E310-R314 WeakPolarHBondContact O-CB 3.47Å; E310-R314 PolarHBondContact O-N 2.88Å; V311-R314 PolarHBondContact O-N 3.23Å; A312-R314 PolarHBondContact O-N 3.28Å; R314-G316 VanDerWaalsContact C-N 3.35Å; R314-E354 IonicContact CZ-OE2 3.21Å; R314-E354 IonicContact NE-OE2 2.67Å; R314-E354 PolarHBondContact NE-OE2 2.91Å; R314-E354 IonicContact NH2-OE2 3.91Å; R314-E354 PolarHBondContact NH2-OE2 2.88Å; R314-H360 PolarHBondContact NH1-ND1 2.7Å; R314-H360 VanDerWaalsContact NH1-ND1 3.19Å; R314-H360 PolarHBondContact NH2-CE1 3.17Å; R314-H360 VanDerWaalsContact NH2-CE1 3.27Å; R314-H360 PolarHBondContact NH2-ND1 2.78Å; R314-E362 IonicContact NH1-OE1 3.12Å; R314-E362 PolarHBondContact NH1-OE1 3.15Å
315	L	97.3	Very high	96.7	Very high	31 Å²	31	52.5 Å²	52.5	16%	0.162	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.2	178.3	-63.2	-174	0	0	0	113.9	V311 A312 N313 Y317 L346 K349 L350	V311-L315 HydrophobicContact CG1-CD1 3.9Å; V311-L315 HydrophobicContact CG1-CG 4.33Å; V311-L315 WeakPolarHBondContact O-CB 3.35Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.32Å; V311-L315 PolarHBondContact O-N 2.95Å; A312-L315 CarbonylContact O-C 3.54Å; A312-L315 PolarHBondContact O-N 3.47Å; N313-L315 VanDerWaalsContact C-N 3.26Å; N313-L315 PolarHBondContact O-N 3.4Å; L315-Y317 HydrophobicContact CB-CD2 3.73Å; L315-Y317 HydrophobicContact CB-CE2 3.99Å; L315-L346 HydrophobicContact CD1-CD1 3.82Å; L315-K349 HydrophobicContact CD2-CD 4.46Å; L315-L350 HydrophobicContact CD1-CD2 3.59Å
316	G	97	Very high	96.4	Very high	62 Å²	62	47.7 Å²	47.7	64%	0.639	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	17	178	0	0	0	0	0	114.9	A312 N313 R314	A312-G316 PolarHBondContact O-N 3.31Å; A312-G316 VanDerWaalsContact O-N 3.08Å; N313-G316 PolarHBondContact O-N 2.74Å; N313-G316 VanDerWaalsContact O-N 3.09Å; R314-G316 VanDerWaalsContact C-N 3.35Å
317	Y	98.3	Very high	96.2	Very high	48 Å²	48	41.8 Å²	41.8	19%	0.188	22%	0.215	C	C	.	.			trans	-100.1	131.2	176.5	-65.2	-91.2	0	0	0	111.3	A312 L315 H319 L346 I390 H394 F395	A312-Y317 CarbonylContact C-O 3.53Å; A312-Y317 VanDerWaalsContact C-O 3.24Å; A312-Y317 PolarHBondContact O-N 3.31Å; L315-Y317 HydrophobicContact CB-CD2 3.73Å; L315-Y317 HydrophobicContact CB-CE2 3.99Å; Y317-H319 PolarHBondContact O-N 2.85Å; Y317-L346 HydrophobicContact CE2-CD1 3.85Å; Y317-L346 HydrophobicContact CE2-CD2 4.23Å; Y317-I390 VanDerWaalsContact CB-CG2 3.47Å; Y317-I390 HydrophobicContact CD1-CG2 4.08Å; Y317-I390 HydrophobicContact CD2-CG2 4.07Å; Y317-I390 HydrophobicContact CG-CG2 3.62Å; Y317-H394 HydrophobicContact CD1-CB 4.01Å; Y317-H394 AromaticContact CD1-CG 3.77Å; Y317-F395 HydrophobicContact CE1-CE2 4.36Å
318	R	97.5	Very high	96.2	Very high	110 Å²	110	41.7 Å²	41.7	42%	0.415	22%	0.215	S	C	.	.			trans	-59.4	121.3	163	178.2	178.6	61.9	141.6	-8.6	111.9	R320 N393 H394 D397	R318-R320 HydrophobicContact CG-CG 4.45Å; R318-N393 CarbonylContact O-C 3.23Å; R318-H394 PolarHBondContact N-ND1 2.59Å; R318-H394 PolarHBondContact NH2-O 2.82Å; R318-H394 WeakPolarHBondContact O-CA 2.99Å; R318-H394 PolarHBondContact O-N 2.77Å; R318-D397 IonicContact NH2-OD1 3.03Å; R318-D397 PolarHBondContact NH2-OD1 3.26Å
319	H	97.5	Very high	96.2	Very high	24 Å²	24	41.7 Å²	41.7	11%	0.111	22%	0.215	C	C	.	.			trans	-110.6	136.5	166.4	-157.1	-83.7	0	0	0	110.6	E309 A312 Y317 G321 I322 H323 E389 N393	E309-H319 HydrophobicContact CG-CB 4.31Å; E309-H319 WeakPolarHBondContact CG-ND1 3.08Å; A312-H319 HydrophobicContact CB-CB 3.81Å; Y317-H319 PolarHBondContact O-N 2.85Å; H319-G321 PolarHBondContact ND1-N 3.27Å; H319-G321 VanDerWaalsContact ND1-N 3.17Å; H319-I322 PolarHBondContact CE1-O 2.94Å; H319-H323 AromaticContact CE1-CE1 3.23Å; H319-H323 PolarHBondContact CE1-CE1 3.36Å; H319-H323 AromaticContact CE1-ND1 3.55Å; H319-H323 AromaticContact CE1-NE2 3.87Å; H319-H323 AromaticContact ND1-CE1 3.91Å; H319-E389 IonicContact CE1-OE1 3.23Å; H319-E389 IonicContact NE2-OE1 3.96Å; H319-E389 PolarHBondContact NE2-OE1 3.09Å; H319-N393 PolarHBondContact NE2-ND2 2.77Å
320	R	95.7	Very high	96.2	Very high	74 Å²	74	38.4 Å²	38.4	28%	0.279	20%	0.199	S	C	.	.			trans	-105.5	12.8	-175.4	-53.4	-178.4	-150.4	171.3	7.9	113.6	R318 I322 N393 L396 D397	R318-R320 HydrophobicContact CG-CG 4.45Å; R320-I322 VanDerWaalsContact C-N 3.26Å; R320-I322 HydrophobicContact CB-CD1 4.42Å; R320-I322 HydrophobicContact CB-CG1 4.37Å; R320-I322 PolarHBondContact O-N 3.28Å; R320-N393 WeakPolarHBondContact CB-OD1 3.41Å; R320-N393 VanDerWaalsContact CZ-O 3.27Å; R320-N393 PolarHBondContact N-OD1 3.14Å; R320-N393 PolarHBondContact NE-O 2.89Å; R320-N393 PolarHBondContact NH2-O 3.3Å; R320-L396 PolarHBondContact NH1-O 2.95Å; R320-L396 VanDerWaalsContact NH1-O 3.11Å; R320-L396 VanDerWaalsContact NH2-C 3.26Å; R320-L396 PolarHBondContact NH2-O 2.8Å; R320-D397 PolarHBondContact NH1-O 3.37Å; R320-D397 IonicContact NH2-OD1 2.9Å
321	G	95.1	Very high	96.2	Very high	37 Å²	37	33.6 Å²	33.6	38%	0.381	18%	0.177	S	C	.	.	S	Bend	trans	70.8	18.9	-174.1	0	0	0	0	0	114.1	E309 H319 H323	E309-G321 WeakPolarHBondContact OE1-CA 3.41Å; H319-G321 PolarHBondContact ND1-N 3.27Å; H319-G321 VanDerWaalsContact ND1-N 3.17Å; G321-H323 PolarHBondContact O-CD2 3.03Å; G321-H323 VanDerWaalsContact O-CD2 3.25Å
322	I	95.7	Very high	96.3	Very high	39 Å²	39	38.7 Å²	38.7	20%	0.2	20%	0.199	C	C	.	.			trans	-95.3	115.2	176.6	-58.4	176.5	0	0	0	108.5	H319 R320 I325 N393 L399 I404	H319-I322 PolarHBondContact CE1-O 2.94Å; R320-I322 VanDerWaalsContact C-N 3.26Å; R320-I322 HydrophobicContact CB-CD1 4.42Å; R320-I322 HydrophobicContact CB-CG1 4.37Å; R320-I322 PolarHBondContact O-N 3.28Å; I322-I325 HydrophobicContact CG2-CD1 4.41Å; I322-N393 PolarHBondContact O-ND2 3.13Å; I322-L399 HydrophobicContact CB-CD2 4.03Å; I322-L399 HydrophobicContact CD1-CB 4.23Å; I322-L399 HydrophobicContact CD1-CD2 3.97Å; I322-L399 HydrophobicContact CD1-CG 3.86Å; I322-L399 WeakPolarHBondContact CD1-O 3.46Å; I322-L399 HydrophobicContact CG2-CD2 3.95Å; I322-L399 HydrophobicContact CG2-CG 4.11Å; I322-I404 HydrophobicContact CG2-CD1 3.3Å
323	H	95.3	Very high	96.2	Very high	28 Å²	28	38.8 Å²	38.8	13%	0.13	20%	0.2	C	C	.	.			trans	-120.4	170.9	-170.7	-63.3	-71.1	0	0	0	113.4	R305 E309 H319 G321 E389	R305-H323 HydrophobicContact CG-CB 4.02Å; R305-H323 PolarHBondContact O-CE1 3.09Å; E309-H323 IonicContact OE1-CE1 3.21Å; E309-H323 IonicContact OE1-NE2 3.48Å; E309-H323 PolarHBondContact OE1-NE2 2.84Å; E309-H323 VanDerWaalsContact OE1-NE2 3.13Å; H319-H323 AromaticContact CE1-CE1 3.23Å; H319-H323 PolarHBondContact CE1-CE1 3.36Å; H319-H323 AromaticContact CE1-ND1 3.55Å; H319-H323 AromaticContact CE1-NE2 3.87Å; H319-H323 AromaticContact ND1-CE1 3.91Å; G321-H323 PolarHBondContact O-CD2 3.03Å; G321-H323 VanDerWaalsContact O-CD2 3.25Å; H323-E389 IonicContact CE1-OE1 3.92Å; H323-E389 IonicContact CG-OE1 3.4Å; H323-E389 IonicContact ND1-OE1 2.71Å; H323-E389 PolarHBondContact ND1-OE1 3.44Å
324	N	91.4	Very high	96.3	Very high	16 Å²	16	39.3 Å²	39.3	9%	0.086	20%	0.199	C	C	.	.			trans	61.1	51.6	176.6	-79.2	-52.4	0	0	0	112.4	G297 Y299 C300 R305 E389	G297-N324 PolarHBondContact N-O 3.04Å; Y299-N324 PolarHBondContact N-OD1 3.47Å; C300-N324 VanDerWaalsContact CB-OD1 3.31Å; C300-N324 WeakPolarHBondContact CB-OD1 3.26Å; C300-N324 PolarHBondContact N-OD1 3.28Å; C300-N324 PolarHBondContact SG-OD1 3.36Å; R305-N324 PolarHBondContact NH2-ND2 2.9Å; N324-E389 PolarHBondContact N-OE2 3.03Å
325	I	94.9	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.8	-179.6	-58.1	-175.6	0	0	0	110.7	T294 Y299 I322 M385 Q388 E389 L392 L399 I404	T294-I325 HydrophobicContact CG2-CG2 3.54Å; Y299-I325 VanDerWaalsContact CE1-O 3.3Å; Y299-I325 WeakPolarHBondContact CE1-O 3.3Å; Y299-I325 PolarHBondContact OH-N 2.91Å; Y299-I325 PolarHBondContact OH-O 3.11Å; I322-I325 HydrophobicContact CG2-CD1 4.41Å; I325-M385 WeakPolarHBondContact O-CE 3.38Å; I325-Q388 PolarHBondContact O-NE2 2.83Å; I325-E389 HydrophobicContact CD1-CB 4.41Å; I325-E389 HydrophobicContact CD1-CG 4Å; I325-E389 HydrophobicContact CG1-CG 4.18Å; I325-L392 HydrophobicContact CD1-CB 4.11Å; I325-L392 HydrophobicContact CD1-CD1 4.31Å; I325-L392 HydrophobicContact CG2-CD1 3.48Å; I325-L392 VanDerWaalsContact CG2-CD1 3.48Å; I325-L399 HydrophobicContact CD1-CD1 4.14Å; I325-L399 HydrophobicContact CD1-CD2 3.8Å; I325-I404 HydrophobicContact CD1-CD1 4.49Å; I325-I404 HydrophobicContact CG1-CD1 4.11Å
326	G	92.1	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	157	-175.4	0	0	0	0	0	114.9	T294 G295 T328 Q388 D410	T294-G326 PolarHBondContact OG1-O 2.9Å; G295-G326 WeakPolarHBondContact O-CA 3.05Å; G295-G326 PolarHBondContact O-N 2.9Å; G326-T328 VanDerWaalsContact C-N 3.31Å; G326-Q388 PolarHBondContact O-NE2 3.42Å; G326-D410 WeakPolarHBondContact CA-OD2 3.34Å
327	S	91.9	Very high	96.4	Very high	16 Å²	16	32 Å²	32	11%	0.112	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-30.2	-179.4	51	0	0	0	0	111.9	D274 D410	D274-S327 PolarHBondContact OD2-OG 3.27Å; D274-S327 VanDerWaalsContact OD2-OG 3.08Å; S327-D410 PolarHBondContact N-OD2 2.67Å
328	T	96.8	Very high	96.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.3	-177.4	-62.6	0	0	0	0	111.3	L271 R272 T294 G295 G326 L409 D410 H424	L271-T328 HydrophobicContact CD1-CG2 3.55Å; R272-T328 WeakPolarHBondContact O-CA 3.24Å; R272-T328 WeakPolarHBondContact O-CG2 3.36Å; T294-T328 WeakPolarHBondContact CA-O 3.39Å; T294-T328 PolarHBondContact OG1-O 3.05Å; G295-T328 PolarHBondContact N-O 2.87Å; G326-T328 VanDerWaalsContact C-N 3.31Å; T328-L409 HydrophobicContact CG2-CB 4.34Å; T328-L409 HydrophobicContact CG2-CD1 4.32Å; T328-L409 HydrophobicContact CG2-CD2 4.18Å; T328-D410 WeakPolarHBondContact CB-OD1 3.34Å; T328-D410 PolarHBondContact N-OD2 3.1Å; T328-D410 PolarHBondContact OG1-OD1 2.97Å; T328-H424 PolarHBondContact OG1-CE1 3.09Å
329	W	98	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.7	-178.8	-65.9	-6.5	0	0	0	110.6	L271 R272 F292 L336 L339 A343 Q388 L392	L271-W329 CarbonylContact C-O 3.58Å; L271-W329 WeakPolarHBondContact CA-O 3.36Å; R272-W329 HydrophobicContact CB-CB 4.35Å; R272-W329 PolarHBondContact N-O 3.23Å; R272-W329 PolarHBondContact O-N 3.39Å; F292-W329 HydrophobicContact CE1-CG 4.45Å; F292-W329 HydrophobicContact CE2-CB 3.91Å; F292-W329 HydrophobicContact CE2-CD2 4.12Å; F292-W329 HydrophobicContact CE2-CE3 4.21Å; F292-W329 HydrophobicContact CE2-CG 4.05Å; F292-W329 HydrophobicContact CZ-CB 3.73Å; F292-W329 AromaticContact CZ-CD1 3.82Å; F292-W329 AromaticContact CZ-CD2 3.62Å; F292-W329 HydrophobicContact CZ-CD2 3.62Å; F292-W329 AromaticContact CZ-CE2 3.94Å; F292-W329 HydrophobicContact CZ-CE3 4.12Å; F292-W329 AromaticContact CZ-CG 3.47Å; F292-W329 HydrophobicContact CZ-CG 3.47Å; F292-W329 VanDerWaalsContact CZ-CG 3.47Å; W329-L336 HydrophobicContact CB-CD1 3.74Å; W329-L336 HydrophobicContact CB-CG 4.48Å; W329-L336 HydrophobicContact CE3-CG 4.22Å; W329-L336 WeakPolarHBondContact O-CD1 3.42Å; W329-L339 HydrophobicContact CH2-CB 4.04Å; W329-L339 HydrophobicContact CZ3-CB 3.83Å; W329-A343 HydrophobicContact CH2-CB 4.02Å; W329-Q388 HydrophobicContact CH2-CB 4.31Å; W329-Q388 HydrophobicContact CZ2-CB 3.64Å; W329-Q388 HydrophobicContact CZ2-CG 4.46Å; W329-L392 HydrophobicContact CH2-CD2 4.48Å; W329-L392 HydrophobicContact CZ2-CD1 3.72Å; W329-L392 HydrophobicContact CZ2-CD2 4.07Å; W329-L392 HydrophobicContact CZ2-CG 3.9Å
330	F	98.4	Very high	96.4	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.6	169.3	-177.4	-87.1	0	0	0	109.3	I152 Y269 F270 L271 Y286 P288 F292 I293 L409	I152-F330 HydrophobicContact CD1-CE2 4.04Å; I152-F330 HydrophobicContact CD1-CZ 4.11Å; I152-F330 HydrophobicContact CG1-CE2 4.41Å; I152-F330 HydrophobicContact CG1-CZ 4.5Å; I152-F330 HydrophobicContact CG2-CE2 4.02Å; Y269-F330 HydrophobicContact CD1-CD1 4.06Å; Y269-F330 AromaticContact CD1-CE1 3.46Å; Y269-F330 HydrophobicContact CD1-CE1 3.46Å; Y269-F330 VanDerWaalsContact CD1-CE1 3.46Å; Y269-F330 AromaticContact CD1-CZ 3.91Å; Y269-F330 HydrophobicContact CD1-CZ 3.91Å; Y269-F330 HydrophobicContact CE1-CE1 4.05Å; Y269-F330 HydrophobicContact CG-CE1 4.03Å; Y269-F330 HydrophobicContact CG-CZ 4Å; F270-F330 WeakPolarHBondContact O-CA 3.31Å; L271-F330 HydrophobicContact CB-CD2 4.01Å; L271-F330 HydrophobicContact CD1-CB 4.02Å; L271-F330 HydrophobicContact CD1-CD2 4.11Å; Y286-F330 HydrophobicContact CD1-CE1 4.15Å; Y286-F330 HydrophobicContact CD1-CZ 4.16Å; Y286-F330 HydrophobicContact CE1-CD1 4.21Å; Y286-F330 AromaticContact CE1-CE1 3.85Å; Y286-F330 HydrophobicContact CE1-CE1 3.85Å; Y286-F330 HydrophobicContact CE1-CZ 4.32Å; P288-F330 HydrophobicContact CB-CE1 3.9Å; P288-F330 HydrophobicContact CG-CE1 4.03Å; F292-F330 CarbonylContact C-O 3.54Å; F292-F330 WeakPolarHBondContact CA-O 3.4Å; I293-F330 HydrophobicContact CD1-CB 4.31Å; I293-F330 HydrophobicContact CD1-CD1 4.32Å; I293-F330 HydrophobicContact CG1-CB 3.78Å; I293-F330 HydrophobicContact CG1-CD1 4.09Å; I293-F330 HydrophobicContact CG1-CG 4.37Å; I293-F330 PolarHBondContact N-O 2.89Å; I293-F330 PolarHBondContact O-N 2.93Å; I293-F330 VanDerWaalsContact O-O 3.08Å; F330-L409 HydrophobicContact CB-CD1 3.92Å
331	G	97.9	Very high	96.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	171.6	-177	0	0	0	0	0	114	Y269 F270 S291 A333	Y269-G331 CarbonylContact C-O 3.52Å; Y269-G331 VanDerWaalsContact CA-O 3.27Å; Y269-G331 WeakPolarHBondContact CA-O 3.19Å; Y269-G331 WeakPolarHBondContact CD1-O 3.47Å; F270-G331 PolarHBondContact N-O 3.49Å; F270-G331 PolarHBondContact O-N 2.94Å; S291-G331 CarbonylContact O-C 3.3Å; S291-G331 VanDerWaalsContact O-CA 3.27Å; S291-G331 WeakPolarHBondContact O-CA 3.3Å; G331-A333 PolarHBondContact O-N 2.78Å
332	K	98.3	Very high	96.6	Very high	107 Å²	107	28.5 Å²	28.5	47%	0.465	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	133.5	176.3	-73.3	-174.2	176.4	-178.2	0	109.8	D268 Y269 S291 E334 L335 L336	D268-K332 WeakPolarHBondContact O-CA 3.34Å; Y269-K332 HydrophobicContact CE1-CG 3.91Å; Y269-K332 HydrophobicContact CE2-CG 4.38Å; S291-K332 PolarHBondContact O-N 2.97Å; K332-E334 VanDerWaalsContact C-N 3.33Å; K332-E334 PolarHBondContact O-N 2.82Å; K332-L335 HydrophobicContact CB-CB 4.2Å; K332-L335 PolarHBondContact O-N 2.83Å; K332-L336 PolarHBondContact O-N 3.44Å
333	A	98.3	Very high	96.8	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-55.3	-45.6	-167.4	0	0	0	0	0	113.3	T264 Y267 D268 F270 G331 A337	T264-A333 HydrophobicContact CG2-CB 4.45Å; Y267-A333 VanDerWaalsContact O-CB 3.24Å; Y267-A333 WeakPolarHBondContact O-CB 3.24Å; D268-A333 PolarHBondContact O-N 3.19Å; D268-A333 VanDerWaalsContact O-N 3.09Å; F270-A333 HydrophobicContact CD2-CB 3.62Å; F270-A333 HydrophobicContact CE2-CB 3.63Å; F270-A333 HydrophobicContact CG-CB 4.17Å; F270-A333 HydrophobicContact CZ-CB 4.17Å; G331-A333 PolarHBondContact O-N 2.78Å; A333-A337 WeakPolarHBondContact O-CB 3.3Å; A333-A337 PolarHBondContact O-N 3.08Å
334	E	97.7	Very high	96.9	Very high	119 Å²	119	26 Å²	26	56%	0.556	13%	0.126	S	C	*	.	H	α-helix	trans	-66.3	-41.9	178.2	-175.2	172.7	-169	0	0	113.1	K332 A337 N338	K332-E334 VanDerWaalsContact C-N 3.33Å; K332-E334 PolarHBondContact O-N 2.82Å; E334-A337 PolarHBondContact O-N 2.78Å; E334-N338 VanDerWaalsContact O-CG 3.25Å; E334-N338 PolarHBondContact O-N 2.88Å; E334-N338 PolarHBondContact O-ND2 2.78Å
335	L	97.6	Very high	97.2	Very high	50 Å²	50	28.3 Å²	28.3	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-62.8	-49.1	177.7	176.3	59.2	0	0	0	110.7	F292 K332 A337 N338 L339 L396	F292-L335 HydrophobicContact CB-CD2 3.91Å; F292-L335 HydrophobicContact CD2-CD2 4.48Å; K332-L335 HydrophobicContact CB-CB 4.2Å; K332-L335 PolarHBondContact O-N 2.83Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.2Å; L335-N338 PolarHBondContact O-N 3.18Å; L335-L339 HydrophobicContact CD1-CD1 3.89Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.9Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.86Å; L335-L396 HydrophobicContact CD2-CD1 4.24Å
336	L	97.9	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-42	178.5	-174	148.6	0	0	0	111.5	I155 F270 R272 W329 K332 N338 L339 S340	I155-L336 HydrophobicContact CD1-CD2 4.27Å; F270-L336 HydrophobicContact CB-CD1 3.93Å; F270-L336 HydrophobicContact CB-CD2 4.08Å; F270-L336 HydrophobicContact CB-CG 4.43Å; F270-L336 HydrophobicContact CD2-CD2 4.31Å; R272-L336 HydrophobicContact CB-CD1 4.21Å; R272-L336 HydrophobicContact CB-CD2 4.3Å; W329-L336 HydrophobicContact CB-CD1 3.74Å; W329-L336 HydrophobicContact CB-CG 4.48Å; W329-L336 HydrophobicContact CE3-CG 4.22Å; W329-L336 WeakPolarHBondContact O-CD1 3.42Å; K332-L336 PolarHBondContact O-N 3.44Å; L336-N338 VanDerWaalsContact C-N 3.35Å; L336-N338 PolarHBondContact O-N 2.57Å; L336-L339 PolarHBondContact O-N 3.38Å; L336-S340 VanDerWaalsContact O-CB 3.32Å; L336-S340 WeakPolarHBondContact O-CB 3.33Å; L336-S340 PolarHBondContact O-N 3.09Å; L336-S340 PolarHBondContact O-OG 3.47Å
337	A	97.7	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-39.8	177.7	0	0	0	0	0	112.5	F260 T264 A333 E334 L335 T341	F260-A337 HydrophobicContact CE1-CB 3.7Å; F260-A337 HydrophobicContact CZ-CB 4.07Å; T264-A337 HydrophobicContact CG2-CB 3.72Å; A333-A337 WeakPolarHBondContact O-CB 3.3Å; A333-A337 PolarHBondContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 2.78Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.2Å; A337-T341 PolarHBondContact O-N 2.92Å; A337-T341 PolarHBondContact O-OG1 3.19Å
338	N	97.8	Very high	97.9	Very high	60 Å²	60	30 Å²	30	32%	0.321	15%	0.15	S	C	.	.	H	α-helix	trans	-69.2	-47.9	177.5	-69.6	-16.9	0	0	0	111.6	R261 E334 L335 L336 S340 T341 Y342	R261-N338 PolarHBondContact NH1-OD1 2.87Å; E334-N338 VanDerWaalsContact O-CG 3.25Å; E334-N338 PolarHBondContact O-N 2.88Å; E334-N338 PolarHBondContact O-ND2 2.78Å; L335-N338 PolarHBondContact O-N 3.18Å; L336-N338 VanDerWaalsContact C-N 3.35Å; L336-N338 PolarHBondContact O-N 2.57Å; N338-S340 VanDerWaalsContact C-N 3.27Å; N338-S340 PolarHBondContact O-N 3.03Å; N338-T341 WeakPolarHBondContact O-CB 3.21Å; N338-T341 PolarHBondContact O-N 3.17Å; N338-T341 VanDerWaalsContact O-N 3.07Å; N338-Y342 WeakPolarHBondContact O-CD2 3.38Å; N338-Y342 PolarHBondContact O-N 3.38Å
339	L	98.2	Very high	97.9	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-41	176	-68.2	170.1	0	0	0	111.6	F292 W329 L335 L336 T341 Y342 A343 V391 L392 F395	F292-L339 HydrophobicContact CD2-CD1 3.87Å; F292-L339 HydrophobicContact CE2-CD1 3.69Å; F292-L339 HydrophobicContact CG-CD1 4.49Å; F292-L339 HydrophobicContact CZ-CD1 4.17Å; W329-L339 HydrophobicContact CH2-CB 4.04Å; W329-L339 HydrophobicContact CZ3-CB 3.83Å; L335-L339 HydrophobicContact CD1-CD1 3.89Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.9Å; L335-L339 WeakPolarHBondContact O-CG 3.47Å; L335-L339 PolarHBondContact O-N 2.86Å; L336-L339 PolarHBondContact O-N 3.38Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.08Å; L339-Y342 PolarHBondContact O-N 2.62Å; L339-A343 WeakPolarHBondContact O-CB 3.37Å; L339-A343 PolarHBondContact O-N 2.96Å; L339-V391 HydrophobicContact CB-CG1 4.48Å; L339-V391 HydrophobicContact CD2-CG1 4.03Å; L339-L392 HydrophobicContact CD1-CD2 3.78Å; L339-L392 HydrophobicContact CD2-CD2 4.25Å; L339-L392 HydrophobicContact CG-CD2 4.48Å; L339-F395 HydrophobicContact CD2-CB 3.7Å
340	S	98	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-34.7	177.5	-60.1	0	0	0	0	112.5	L336 N338 A343 V344	L336-S340 VanDerWaalsContact O-CB 3.32Å; L336-S340 WeakPolarHBondContact O-CB 3.33Å; L336-S340 PolarHBondContact O-N 3.09Å; L336-S340 PolarHBondContact O-OG 3.47Å; N338-S340 VanDerWaalsContact C-N 3.27Å; N338-S340 PolarHBondContact O-N 3.03Å; S340-A343 PolarHBondContact O-N 3.16Å; S340-V344 WeakPolarHBondContact O-CG1 3.49Å; S340-V344 PolarHBondContact O-N 3.44Å
341	T	97.5	Very high	97.9	Very high	48 Å²	48	35.2 Å²	35.2	29%	0.294	17%	0.173	S	C	.	.	H	α-helix	trans	-68.6	-37.6	178.2	-57.8	0	0	0	0	112.1	R261 A337 N338 L339 V344 S345	R261-T341 PolarHBondContact NH2-OG1 3.25Å; A337-T341 PolarHBondContact O-N 2.92Å; A337-T341 PolarHBondContact O-OG1 3.19Å; N338-T341 WeakPolarHBondContact O-CB 3.21Å; N338-T341 PolarHBondContact O-N 3.17Å; N338-T341 VanDerWaalsContact O-N 3.07Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.08Å; T341-V344 VanDerWaalsContact O-CG1 3.27Å; T341-V344 WeakPolarHBondContact O-CG1 3.41Å; T341-S345 PolarHBondContact O-OG 3Å
342	Y	98.1	Very high	97.8	Very high	108 Å²	108	39.4 Å²	39.4	42%	0.424	20%	0.196	S	C	.	.	H	α-helix	trans	-71.6	-41.3	172.8	-62.8	-64.1	0	0	0	111.4	N338 L339 S345 L346 F395	N338-Y342 WeakPolarHBondContact O-CD2 3.38Å; N338-Y342 PolarHBondContact O-N 3.38Å; L339-Y342 PolarHBondContact O-N 2.62Å; Y342-S345 PolarHBondContact O-N 3.01Å; Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 PolarHBondContact O-N 3.02Å; Y342-F395 AromaticContact CD1-CE2 3.86Å; Y342-F395 HydrophobicContact CD1-CE2 3.86Å; Y342-F395 AromaticContact CD1-CZ 3.7Å; Y342-F395 HydrophobicContact CD1-CZ 3.7Å; Y342-F395 HydrophobicContact CD2-CD2 4.02Å; Y342-F395 HydrophobicContact CD2-CE1 4.34Å; Y342-F395 AromaticContact CD2-CE2 3.73Å; Y342-F395 HydrophobicContact CD2-CE2 3.73Å; Y342-F395 HydrophobicContact CD2-CG 4.43Å; Y342-F395 AromaticContact CD2-CZ 3.9Å; Y342-F395 HydrophobicContact CD2-CZ 3.9Å; Y342-F395 HydrophobicContact CE1-CE1 4.33Å; Y342-F395 HydrophobicContact CE1-CE2 4.37Å; Y342-F395 AromaticContact CE1-CZ 3.76Å; Y342-F395 HydrophobicContact CE1-CZ 3.76Å; Y342-F395 HydrophobicContact CE2-CD1 4.38Å; Y342-F395 HydrophobicContact CE2-CE1 4.04Å; Y342-F395 HydrophobicContact CE2-CE2 4.25Å; Y342-F395 AromaticContact CE2-CZ 3.96Å; Y342-F395 HydrophobicContact CE2-CZ 3.96Å; Y342-F395 HydrophobicContact CG-CD2 4.18Å; Y342-F395 AromaticContact CG-CE2 3.51Å; Y342-F395 HydrophobicContact CG-CE2 3.51Å; Y342-F395 AromaticContact CG-CZ 3.77Å; Y342-F395 HydrophobicContact CG-CZ 3.77Å; Y342-F395 AromaticContact CZ-CZ 3.89Å
343	A	98.2	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-44.8	-178.6	0	0	0	0	0	112.2	Y252 W329 L339 S340 S345 L346 T347 V391	Y252-A343 HydrophobicContact CE1-CB 3.89Å; Y252-A343 WeakPolarHBondContact OH-CB 3.37Å; W329-A343 HydrophobicContact CH2-CB 4.02Å; L339-A343 WeakPolarHBondContact O-CB 3.37Å; L339-A343 PolarHBondContact O-N 2.96Å; S340-A343 PolarHBondContact O-N 3.16Å; A343-S345 VanDerWaalsContact C-N 3.35Å; A343-S345 PolarHBondContact O-N 3.16Å; A343-L346 PolarHBondContact O-N 3.22Å; A343-T347 VanDerWaalsContact O-CB 3.29Å; A343-T347 WeakPolarHBondContact O-CB 3.42Å; A343-T347 PolarHBondContact O-N 2.59Å; A343-T347 PolarHBondContact O-OG1 3.29Å; A343-V391 HydrophobicContact CB-CG1 4.49Å; A343-V391 HydrophobicContact CB-CG2 4.42Å
344	V	97.9	Very high	97.5	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-43.5	177.5	68	0	0	0	0	111.8	I242 I249 Y252 L255 S340 T341 T347 M348	I242-V344 HydrophobicContact CD1-CG2 3.58Å; I249-V344 HydrophobicContact CD1-CG2 3.72Å; I249-V344 HydrophobicContact CG1-CG2 3.92Å; Y252-V344 HydrophobicContact CD1-CB 4.31Å; Y252-V344 HydrophobicContact CD2-CB 4.01Å; Y252-V344 HydrophobicContact CD2-CG2 4.16Å; Y252-V344 HydrophobicContact CG-CB 3.8Å; Y252-V344 HydrophobicContact CG-CG2 4.08Å; L255-V344 HydrophobicContact CD1-CB 4.27Å; L255-V344 HydrophobicContact CD1-CG1 3.76Å; S340-V344 WeakPolarHBondContact O-CG1 3.49Å; S340-V344 PolarHBondContact O-N 3.44Å; T341-V344 VanDerWaalsContact O-CG1 3.27Å; T341-V344 WeakPolarHBondContact O-CG1 3.41Å; V344-T347 PolarHBondContact O-N 3.43Å; V344-M348 PolarHBondContact O-N 2.8Å
345	S	97	Very high	97.4	Very high	65 Å²	65	32.4 Å²	32.4	46%	0.455	17%	0.168	S	C	.	.	H	α-helix	trans	-64.9	-45.2	-179.5	-56.5	0	0	0	0	111.4	T341 Y342 A343 K349	T341-S345 PolarHBondContact O-OG 3Å; Y342-S345 PolarHBondContact O-N 3.01Å; A343-S345 VanDerWaalsContact C-N 3.35Å; A343-S345 PolarHBondContact O-N 3.16Å; S345-K349 PolarHBondContact O-N 2.86Å
346	L	98.4	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-35.3	178.1	-176.4	58.2	0	0	0	112	L315 Y317 Y342 A343 M348 K349 L350 A387 I390 V391	L315-L346 HydrophobicContact CD1-CD1 3.82Å; Y317-L346 HydrophobicContact CE2-CD1 3.85Å; Y317-L346 HydrophobicContact CE2-CD2 4.23Å; Y342-L346 WeakPolarHBondContact O-CB 3.49Å; Y342-L346 PolarHBondContact O-N 3.02Å; A343-L346 PolarHBondContact O-N 3.22Å; L346-M348 PolarHBondContact O-N 3.13Å; L346-K349 PolarHBondContact O-N 2.81Å; L346-L350 HydrophobicContact CD1-CD2 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CG-CD1 4.25Å; L346-L350 HydrophobicContact CG-CG 4.09Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 3.05Å; L346-A387 HydrophobicContact CB-CB 3.97Å; L346-A387 HydrophobicContact CD2-CB 4.22Å; L346-A387 HydrophobicContact CG-CB 3.86Å; L346-I390 HydrophobicContact CD2-CB 3.73Å; L346-I390 HydrophobicContact CD2-CD1 4.36Å; L346-I390 HydrophobicContact CD2-CG2 3.63Å; L346-V391 HydrophobicContact CB-CG2 4.43Å; L346-V391 HydrophobicContact CD2-CG2 3.98Å
347	T	98.5	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-48.6	177.1	-60.5	0	0	0	0	111.3	Y246 I249 A343 V344 L350 F351 A387	Y246-T347 HydrophobicContact CD1-CG2 3.73Å; Y246-T347 HydrophobicContact CE1-CG2 3.46Å; Y246-T347 VanDerWaalsContact CE1-CG2 3.46Å; I249-T347 VanDerWaalsContact CD1-CB 3.5Å; I249-T347 HydrophobicContact CD1-CG2 3.4Å; I249-T347 VanDerWaalsContact CD1-CG2 3.4Å; A343-T347 VanDerWaalsContact O-CB 3.29Å; A343-T347 WeakPolarHBondContact O-CB 3.42Å; A343-T347 PolarHBondContact O-N 2.59Å; A343-T347 PolarHBondContact O-OG1 3.29Å; V344-T347 PolarHBondContact O-N 3.43Å; T347-L350 PolarHBondContact O-N 2.81Å; T347-F351 WeakPolarHBondContact O-CB 3.43Å; T347-F351 PolarHBondContact O-N 2.82Å; T347-A387 VanDerWaalsContact N-CB 3.35Å; T347-A387 VanDerWaalsContact OG1-CB 3.24Å; T347-A387 WeakPolarHBondContact OG1-CB 3.08Å
348	M	97.9	Very high	96.9	Very high	51 Å²	51	44.7 Å²	44.7	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-48.1	177.6	-67.4	-176.4	-66.4	0	0	110.7	I242 H244 I249 V344 L346 L350 F351 D352	I242-M348 HydrophobicContact CG2-SD 4.01Å; H244-M348 WeakPolarHBondContact NE2-CB 3.47Å; I249-M348 HydrophobicContact CD1-CG 3.79Å; I249-M348 HydrophobicContact CG1-CG 4Å; V344-M348 PolarHBondContact O-N 2.8Å; L346-M348 PolarHBondContact O-N 3.13Å; M348-L350 PolarHBondContact O-N 2.92Å; M348-F351 PolarHBondContact O-N 2.81Å; M348-D352 WeakPolarHBondContact O-CB 3.41Å; M348-D352 PolarHBondContact O-N 3.03Å
349	K	97.5	Very high	96.8	Very high	94 Å²	94	44.7 Å²	44.7	41%	0.409	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-50.9	177.5	-173.4	175.3	-176.3	-179.3	0	112.3	L315 S345 L346 F351 D352 T353	L315-K349 HydrophobicContact CD2-CD 4.46Å; S345-K349 PolarHBondContact O-N 2.86Å; L346-K349 PolarHBondContact O-N 2.81Å; K349-F351 VanDerWaalsContact C-N 3.34Å; K349-F351 PolarHBondContact O-N 2.89Å; K349-D352 PolarHBondContact O-N 2.91Å; K349-T353 PolarHBondContact O-N 3.39Å; K349-T353 PolarHBondContact O-OG1 3.27Å
350	L	97.5	Very high	96.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-47.2	179.5	-69.4	-174.9	0	0	0	111.6	V311 L315 L346 T347 M348 D352 T353 E354 F355 A387 I390	V311-L350 HydrophobicContact CG1-CD2 3.52Å; L315-L350 HydrophobicContact CD1-CD2 3.59Å; L346-L350 HydrophobicContact CD1-CD2 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.04Å; L346-L350 HydrophobicContact CG-CD1 4.25Å; L346-L350 HydrophobicContact CG-CG 4.09Å; L346-L350 WeakPolarHBondContact O-CG 3.35Å; L346-L350 PolarHBondContact O-N 3.05Å; T347-L350 PolarHBondContact O-N 2.81Å; M348-L350 PolarHBondContact O-N 2.92Å; L350-D352 PolarHBondContact O-N 3.05Å; L350-T353 PolarHBondContact O-N 2.76Å; L350-E354 HydrophobicContact CB-CG 4.46Å; L350-E354 HydrophobicContact CD2-CB 4.37Å; L350-E354 HydrophobicContact CD2-CG 3.54Å; L350-E354 WeakPolarHBondContact O-CB 3.18Å; L350-E354 PolarHBondContact O-N 2.79Å; L350-F355 VanDerWaalsContact O-CD2 3.26Å; L350-F355 WeakPolarHBondContact O-CD2 3.49Å; L350-F355 WeakPolarHBondContact O-CE2 3.36Å; L350-A387 HydrophobicContact CD1-CB 3.8Å; L350-I390 HydrophobicContact CD1-CD1 4.26Å; L350-I390 HydrophobicContact CD2-CD1 4.49Å
351	F	97.4	Very high	96.5	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-34.5	-178.8	-174.8	-87	0	0	0	112.9	H244 T245 Y246 T347 M348 K349 R380	H244-F351 AromaticContact CE1-CD1 3.75Å; T245-F351 WeakPolarHBondContact OG1-CE1 3.42Å; Y246-F351 HydrophobicContact CD1-CD2 4.24Å; Y246-F351 AromaticContact CD2-CD2 3.46Å; Y246-F351 HydrophobicContact CD2-CD2 3.46Å; Y246-F351 VanDerWaalsContact CD2-CD2 3.46Å; Y246-F351 AromaticContact CD2-CE2 3.3Å; Y246-F351 HydrophobicContact CD2-CE2 3.3Å; Y246-F351 HydrophobicContact CD2-CG 4.39Å; Y246-F351 HydrophobicContact CD2-CZ 4.15Å; Y246-F351 HydrophobicContact CE2-CD2 4.14Å; Y246-F351 HydrophobicContact CE2-CE2 4.14Å; Y246-F351 AromaticContact CG-CD2 3.5Å; Y246-F351 HydrophobicContact CG-CD2 3.5Å; Y246-F351 VanDerWaalsContact CG-CD2 3.5Å; Y246-F351 AromaticContact CG-CE2 3.7Å; Y246-F351 HydrophobicContact CG-CE2 3.7Å; Y246-F351 AromaticContact CG-CG 3.99Å; Y246-F351 HydrophobicContact CG-CG 3.99Å; Y246-F351 HydrophobicContact CG-CZ 4.35Å; T347-F351 WeakPolarHBondContact O-CB 3.43Å; T347-F351 PolarHBondContact O-N 2.82Å; M348-F351 PolarHBondContact O-N 2.81Å; K349-F351 VanDerWaalsContact C-N 3.34Å; K349-F351 PolarHBondContact O-N 2.89Å; F351-R380 HydrophobicContact CD2-CG 3.7Å; F351-R380 VanDerWaalsContact CE1-NH2 3.29Å; F351-R380 HydrophobicContact CE2-CG 3.58Å; F351-R380 HydrophobicContact CG-CG 4.47Å; F351-R380 HydrophobicContact CZ-CG 4.25Å; F351-R380 PolarHBondContact O-NE 2.74Å; F351-R380 VanDerWaalsContact O-NE 3.07Å; F351-R380 PolarHBondContact O-NH2 3.33Å
352	D	95.8	Very high	96.4	Very high	89 Å²	89	50.7 Å²	50.7	48%	0.476	27%	0.268	S	S	.	.	H	α-helix	trans	-83.7	-35.2	-177.1	-72.6	-13.3	0	0	0	113	H244 M348 K349 L350	H244-D352 IonicContact CE1-OD1 2.7Å; H244-D352 PolarHBondContact CE1-OD1 2.89Å; H244-D352 VanDerWaalsContact CE1-OD1 3.26Å; H244-D352 IonicContact CE1-OD2 3.43Å; H244-D352 IonicContact NE2-OD1 3.52Å; H244-D352 PolarHBondContact NE2-OD1 3.31Å; H244-D352 IonicContact NE2-OD2 3.59Å; H244-D352 PolarHBondContact NE2-OD2 2.84Å; M348-D352 WeakPolarHBondContact O-CB 3.41Å; M348-D352 PolarHBondContact O-N 3.03Å; K349-D352 PolarHBondContact O-N 2.91Å; L350-D352 PolarHBondContact O-N 3.05Å
353	T	95.4	Very high	96.3	Very high	59 Å²	59	45.6 Å²	45.6	36%	0.362	25%	0.248	S	C	.	.	H	α-helix	trans	-114.9	-22.8	-168.4	67.4	0	0	0	0	115.6	K349 L350 H360	K349-T353 PolarHBondContact O-N 3.39Å; K349-T353 PolarHBondContact O-OG1 3.27Å; L350-T353 PolarHBondContact O-N 2.76Å; T353-H360 PolarHBondContact O-CD2 3.24Å; T353-H360 PolarHBondContact O-NE2 2.68Å
354	E	95.7	Very high	96.1	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.037	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12.6	-168.5	-53.3	-55.7	122	0	0	114.2	V311 R314 L350 H360 W378	V311-E354 HydrophobicContact CG1-CG 4.08Å; R314-E354 IonicContact CZ-OE2 3.21Å; R314-E354 IonicContact NE-OE2 2.67Å; R314-E354 PolarHBondContact NE-OE2 2.91Å; R314-E354 IonicContact NH2-OE2 3.91Å; R314-E354 PolarHBondContact NH2-OE2 2.88Å; L350-E354 HydrophobicContact CB-CG 4.46Å; L350-E354 HydrophobicContact CD2-CB 4.37Å; L350-E354 HydrophobicContact CD2-CG 3.54Å; L350-E354 WeakPolarHBondContact O-CB 3.18Å; L350-E354 PolarHBondContact O-N 2.79Å; E354-H360 IonicContact OE1-NE2 3.57Å; E354-H360 IonicContact OE2-CE1 4Å; E354-H360 IonicContact OE2-NE2 2.66Å; E354-W378 HydrophobicContact CB-CZ2 4.37Å; E354-W378 PolarHBondContact O-NE1 3.04Å
355	F	95.7	Very high	95.9	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.061	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	16	179.7	-61.5	-87.1	0	0	0	113.6	L350 P357 M367 W378 R380 S383 Y386	L350-F355 VanDerWaalsContact O-CD2 3.26Å; L350-F355 WeakPolarHBondContact O-CD2 3.49Å; L350-F355 WeakPolarHBondContact O-CE2 3.36Å; F355-P357 WeakPolarHBondContact O-CD 3.15Å; F355-M367 HydrophobicContact CB-CE 4.12Å; F355-M367 HydrophobicContact CD1-CE 3.56Å; F355-M367 HydrophobicContact CG-CE 4.33Å; F355-W378 AromaticContact CD1-CD1 3.51Å; F355-W378 HydrophobicContact CD1-CG 4.38Å; F355-W378 AromaticContact CD1-NE1 3.38Å; F355-W378 AromaticContact CE1-CD1 3.47Å; F355-W378 VanDerWaalsContact CE1-CD1 3.47Å; F355-W378 HydrophobicContact CE1-CD2 4.03Å; F355-W378 AromaticContact CE1-CE2 3.61Å; F355-W378 AromaticContact CE1-CG 3.96Å; F355-W378 HydrophobicContact CE1-CG 3.96Å; F355-W378 HydrophobicContact CE1-CZ2 4.27Å; F355-W378 AromaticContact CE1-NE1 3.24Å; F355-W378 AromaticContact CZ-CE2 3.92Å; F355-W378 HydrophobicContact CZ-CZ2 4.11Å; F355-W378 AromaticContact CZ-NE1 3.89Å; F355-R380 HydrophobicContact CB-CB 4.45Å; F355-R380 HydrophobicContact CB-CG 4.15Å; F355-R380 HydrophobicContact CD1-CB 3.58Å; F355-R380 HydrophobicContact CD1-CG 3.99Å; F355-R380 HydrophobicContact CD2-CB 4.19Å; F355-R380 HydrophobicContact CD2-CG 3.69Å; F355-R380 HydrophobicContact CE1-CB 3.81Å; F355-R380 HydrophobicContact CE1-CG 4.35Å; F355-R380 HydrophobicContact CE2-CB 4.37Å; F355-R380 HydrophobicContact CE2-CG 4.06Å; F355-R380 HydrophobicContact CG-CB 3.8Å; F355-R380 HydrophobicContact CG-CG 3.65Å; F355-R380 HydrophobicContact CZ-CB 4.2Å; F355-R380 HydrophobicContact CZ-CG 4.38Å; F355-S383 VanDerWaalsContact CE2-OG 3.26Å; F355-S383 WeakPolarHBondContact CE2-OG 3.44Å; F355-Y386 HydrophobicContact CE1-CE2 4.21Å; F355-Y386 AromaticContact CZ-CD2 3.95Å; F355-Y386 HydrophobicContact CZ-CD2 3.95Å; F355-Y386 AromaticContact CZ-CE2 3.82Å; F355-Y386 HydrophobicContact CZ-CE2 3.82Å
356	D	94.1	Very high	95.8	Very high	74 Å²	74	49.1 Å²	49.1	40%	0.396	28%	0.276	S	S	.	.			trans	-92	111.1	171.5	-178.9	3.8	0	0	0	110.8	K358 A359 H360	D356-K358 PolarHBondContact O-N 3.14Å; D356-K358 VanDerWaalsContact O-N 3.16Å; D356-K358 WeakPolarHBondContact OD1-CB 3.24Å; D356-K358 PolarHBondContact OD1-N 2.7Å; D356-A359 HydrophobicContact CB-CB 4.13Å; D356-A359 PolarHBondContact O-N 3.4Å; D356-A359 VanDerWaalsContact O-N 3.11Å; D356-H360 PolarHBondContact O-N 2.91Å
357	P	95.3	Very high	95.5	Very high	47 Å²	47	50 Å²	50	31%	0.305	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.4	-179.8	30.5	-37	0	0	0	113.9	F355 H360 P361 I363 A364 M367	F355-P357 WeakPolarHBondContact O-CD 3.15Å; P357-H360 CarbonylContact O-C 3.58Å; P357-P361 WeakPolarHBondContact O-CA 3.47Å; P357-I363 HydrophobicContact CB-CG1 4.28Å; P357-A364 HydrophobicContact CB-CB 3.92Å; P357-M367 HydrophobicContact CB-CB 4.16Å; P357-M367 HydrophobicContact CB-CG 4.28Å; P357-M367 HydrophobicContact CG-CB 4.03Å; P357-M367 HydrophobicContact CG-CG 4.34Å
358	K	94.1	Very high	95.1	Very high	187 Å²	187	59.2 Å²	59.2	81%	0.813	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-39.1	170.8	-64.9	-179.4	179.2	177.5	0	111.7	D356	D356-K358 PolarHBondContact O-N 3.14Å; D356-K358 VanDerWaalsContact O-N 3.16Å; D356-K358 WeakPolarHBondContact OD1-CB 3.24Å; D356-K358 PolarHBondContact OD1-N 2.7Å
359	A	94.1	Very high	94.4	Very high	60 Å²	60	65.1 Å²	65.1	50%	0.496	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-33.1	176.7	0	0	0	0	0	111.8	D356	D356-A359 HydrophobicContact CB-CB 4.13Å; D356-A359 PolarHBondContact O-N 3.4Å; D356-A359 VanDerWaalsContact O-N 3.11Å
360	H	94.9	Very high	94.1	Very high	15 Å²	15	62.3 Å²	62.3	7%	0.069	33%	0.332	C	S	.	.			trans	-127.1	78.5	-176.7	-52.7	-63.2	0	0	0	110.4	R314 T353 E354 D356 P357 E362 I363	R314-H360 PolarHBondContact NH1-ND1 2.7Å; R314-H360 VanDerWaalsContact NH1-ND1 3.19Å; R314-H360 PolarHBondContact NH2-CE1 3.17Å; R314-H360 VanDerWaalsContact NH2-CE1 3.27Å; R314-H360 PolarHBondContact NH2-ND1 2.78Å; T353-H360 PolarHBondContact O-CD2 3.24Å; T353-H360 PolarHBondContact O-NE2 2.68Å; E354-H360 IonicContact OE1-NE2 3.57Å; E354-H360 IonicContact OE2-CE1 4Å; E354-H360 IonicContact OE2-NE2 2.66Å; D356-H360 PolarHBondContact O-N 2.91Å; P357-H360 CarbonylContact O-C 3.58Å; H360-E362 WeakPolarHBondContact CA-OE2 3.47Å; H360-E362 WeakPolarHBondContact CB-OE1 3.36Å; H360-E362 IonicContact ND1-OE1 3.37Å; H360-E362 PolarHBondContact O-N 2.81Å; H360-I363 HydrophobicContact CB-CD1 4.12Å; H360-I363 HydrophobicContact CB-CG1 4.34Å; H360-I363 WeakPolarHBondContact O-CG1 3.32Å; H360-I363 PolarHBondContact O-N 2.92Å; H360-I363 VanDerWaalsContact O-N 3.14Å
361	P	95.4	Very high	93.6	Very high	90 Å²	90	67.6 Å²	67.6	58%	0.584	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-56.3	-25.6	-175	-26.4	36	0	0	0	115	P357 I363 A364	P357-P361 WeakPolarHBondContact O-CA 3.47Å; P361-I363 PolarHBondContact O-N 3.23Å; P361-A364 WeakPolarHBondContact O-CB 3.33Å; P361-A364 PolarHBondContact O-N 3.35Å; P361-A364 VanDerWaalsContact O-N 3.13Å
362	E	95.1	Very high	93.4	Very high	73 Å²	73	70.7 Å²	70.7	34%	0.341	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.6	178.3	66.2	-82.6	-164.4	0	0	113.9	H307 R314 H360	H307-E362 IonicContact CE1-OE1 3.11Å; H307-E362 PolarHBondContact CE1-OE1 2.83Å; H307-E362 IonicContact ND1-OE1 2.93Å; R314-E362 IonicContact NH1-OE1 3.12Å; R314-E362 PolarHBondContact NH1-OE1 3.15Å; H360-E362 WeakPolarHBondContact CA-OE2 3.47Å; H360-E362 WeakPolarHBondContact CB-OE1 3.36Å; H360-E362 IonicContact ND1-OE1 3.37Å; H360-E362 PolarHBondContact O-N 2.81Å
363	I	95.9	Very high	93.3	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-93.3	-4	178.1	79.6	-173.4	0	0	0	112.8	F303 P357 H360 P361 A365 F366 M367 W378	F303-I363 HydrophobicContact CE1-CG2 4.37Å; F303-I363 HydrophobicContact CZ-CG2 4.11Å; P357-I363 HydrophobicContact CB-CG1 4.28Å; H360-I363 HydrophobicContact CB-CD1 4.12Å; H360-I363 HydrophobicContact CB-CG1 4.34Å; H360-I363 WeakPolarHBondContact O-CG1 3.32Å; H360-I363 PolarHBondContact O-N 2.92Å; H360-I363 VanDerWaalsContact O-N 3.14Å; P361-I363 PolarHBondContact O-N 3.23Å; I363-A365 PolarHBondContact O-N 2.81Å; I363-A365 VanDerWaalsContact O-N 3.14Å; I363-F366 PolarHBondContact O-N 3.04Å; I363-M367 HydrophobicContact CD1-CE 3.95Å; I363-M367 HydrophobicContact CD1-CG 4.18Å; I363-M367 HydrophobicContact CG1-CE 4.38Å; I363-M367 HydrophobicContact CG1-CG 3.91Å; I363-M367 PolarHBondContact O-N 3.04Å; I363-W378 HydrophobicContact CG2-CG 4.22Å
364	A	95.1	Very high	93.1	Very high	43 Å²	43	67.8 Å²	67.8	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-57.9	-34.2	-171.1	0	0	0	0	0	113.3	P357 P361 F366 M367 R368	P357-A364 HydrophobicContact CB-CB 3.92Å; P361-A364 WeakPolarHBondContact O-CB 3.33Å; P361-A364 PolarHBondContact O-N 3.35Å; P361-A364 VanDerWaalsContact O-N 3.13Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 2.67Å; A364-M367 PolarHBondContact O-N 2.77Å; A364-R368 PolarHBondContact O-N 2.93Å
365	A	94	Very high	92.7	Very high	71 Å²	71	73.9 Å²	73.9	59%	0.587	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-39.8	176.5	0	0	0	0	0	112.5	I363	I363-A365 PolarHBondContact O-N 2.81Å; I363-A365 VanDerWaalsContact O-N 3.14Å
366	F	93.4	Very high	92.3	Very high	39 Å²	39	74 Å²	74	17%	0.171	39%	0.385	C	S	.	.	H	α-helix	trans	-79.9	-25.1	-178.2	-49.8	-54.5	0	0	0	112.5	F303 I363 A364 G373 Q374 E377 W378	F303-F366 HydrophobicContact CD1-CD2 4.3Å; F303-F366 AromaticContact CD1-CE2 3.62Å; F303-F366 HydrophobicContact CD1-CE2 3.62Å; F303-F366 HydrophobicContact CD1-CZ 4.26Å; F303-F366 AromaticContact CD2-CE2 3.83Å; F303-F366 HydrophobicContact CD2-CE2 3.83Å; F303-F366 HydrophobicContact CD2-CZ 4.16Å; F303-F366 AromaticContact CE1-CD2 3.97Å; F303-F366 HydrophobicContact CE1-CD2 3.97Å; F303-F366 AromaticContact CE1-CE2 3.53Å; F303-F366 HydrophobicContact CE1-CE2 3.53Å; F303-F366 AromaticContact CE2-CE2 3.73Å; F303-F366 HydrophobicContact CE2-CE2 3.73Å; F303-F366 HydrophobicContact CE2-CZ 4.45Å; F303-F366 AromaticContact CG-CE2 3.79Å; F303-F366 HydrophobicContact CG-CE2 3.79Å; F303-F366 HydrophobicContact CG-CZ 4.07Å; F303-F366 HydrophobicContact CZ-CD2 4.2Å; F303-F366 AromaticContact CZ-CE2 3.6Å; F303-F366 HydrophobicContact CZ-CE2 3.6Å; I363-F366 PolarHBondContact O-N 3.04Å; A364-F366 VanDerWaalsContact C-N 3.33Å; A364-F366 PolarHBondContact O-N 2.67Å; F366-G373 CarbonylContact O-C 3.24Å; F366-G373 VanDerWaalsContact O-C 3.25Å; F366-G373 VanDerWaalsContact O-CA 3.3Å; F366-G373 WeakPolarHBondContact O-CA 3.21Å; F366-Q374 HydrophobicContact CB-CB 3.97Å; F366-Q374 HydrophobicContact CD1-CB 4.26Å; F366-E377 HydrophobicContact CD1-CB 3.79Å; F366-E377 HydrophobicContact CD1-CG 3.98Å; F366-E377 HydrophobicContact CD2-CB 4.27Å; F366-E377 HydrophobicContact CE1-CB 3.79Å; F366-E377 HydrophobicContact CE1-CG 3.64Å; F366-E377 HydrophobicContact CE2-CB 4.27Å; F366-E377 HydrophobicContact CG-CB 4.05Å; F366-E377 HydrophobicContact CZ-CB 4.04Å; F366-E377 HydrophobicContact CZ-CG 4.1Å; F366-W378 HydrophobicContact CD2-CB 4.35Å
367	M	92.8	Very high	92.2	Very high	19 Å²	19	72.7 Å²	72.7	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-85.4	-9.5	178.7	-64.8	-61.3	160.4	0	0	114	F355 P357 I363 A364 F369 S370 G373	F355-M367 HydrophobicContact CB-CE 4.12Å; F355-M367 HydrophobicContact CD1-CE 3.56Å; F355-M367 HydrophobicContact CG-CE 4.33Å; P357-M367 HydrophobicContact CB-CB 4.16Å; P357-M367 HydrophobicContact CB-CG 4.28Å; P357-M367 HydrophobicContact CG-CB 4.03Å; P357-M367 HydrophobicContact CG-CG 4.34Å; I363-M367 HydrophobicContact CD1-CE 3.95Å; I363-M367 HydrophobicContact CD1-CG 4.18Å; I363-M367 HydrophobicContact CG1-CE 4.38Å; I363-M367 HydrophobicContact CG1-CG 3.91Å; I363-M367 PolarHBondContact O-N 3.04Å; A364-M367 PolarHBondContact O-N 2.77Å; M367-F369 VanDerWaalsContact C-N 3.28Å; M367-F369 PolarHBondContact O-N 2.85Å; M367-S370 WeakPolarHBondContact CA-O 3.25Å; M367-S370 PolarHBondContact O-N 3.2Å; M367-G373 WeakPolarHBondContact SD-CA 3.44Å; M367-G373 PolarHBondContact SD-N 3.47Å; M367-G373 VanDerWaalsContact SD-N 3.38Å
368	R	89.7	Confident	92.2	Very high	193 Å²	193	70.4 Å²	70.4	73%	0.728	36%	0.362	S	S	*	.	S	Bend	trans	-57.9	-37.3	-172.2	-176.5	176.8	178.1	-177.6	0.7	113.9	A364	A364-R368 PolarHBondContact O-N 2.93Å
369	F	84.1	Confident	92.3	Very high	175 Å²	175	64.8 Å²	64.8	77%	0.768	34%	0.336	S	S	*	.	S	Bend	trans	-111.6	-5.2	-173.3	-57.1	-68.9	0	0	0	113.6	M367	M367-F369 VanDerWaalsContact C-N 3.28Å; M367-F369 PolarHBondContact O-N 2.85Å
370	S	91.3	Very high	92.4	Very high	36 Å²	36	64.8 Å²	64.8	25%	0.252	32%	0.323	S	S	.	.			trans	-154.6	127.5	-175.5	168.5	0	0	0	0	109.8	M367 H372 G373	M367-S370 WeakPolarHBondContact CA-O 3.25Å; M367-S370 PolarHBondContact O-N 3.2Å; S370-H372 PolarHBondContact O-N 3.17Å; S370-H372 VanDerWaalsContact O-N 3.11Å; S370-H372 WeakPolarHBondContact OG-CB 3.35Å; S370-H372 PolarHBondContact OG-N 3.07Å; S370-H372 VanDerWaalsContact OG-N 3.1Å; S370-G373 WeakPolarHBondContact CB-O 3.28Å; S370-G373 PolarHBondContact O-N 3.23Å; S370-G373 PolarHBondContact OG-N 3.5Å; S370-G373 PolarHBondContact OG-O 3.45Å
371	V	87.3	Confident	92.3	Very high	110 Å²	110	65.6 Å²	65.6	67%	0.667	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.2	171.6	-64.2	0	0	0	0	113.1
372	H	91.8	Very high	92.2	Very high	82 Å²	82	62 Å²	62	38%	0.38	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.8	174.7	-61.3	-55.8	0	0	0	112.6	S370 W379 R380 P381	S370-H372 PolarHBondContact O-N 3.17Å; S370-H372 VanDerWaalsContact O-N 3.11Å; S370-H372 WeakPolarHBondContact OG-CB 3.35Å; S370-H372 PolarHBondContact OG-N 3.07Å; S370-H372 VanDerWaalsContact OG-N 3.1Å; H372-W379 HydrophobicContact CB-CE3 3.98Å; H372-W379 HydrophobicContact CB-CH2 3.62Å; H372-W379 HydrophobicContact CB-CZ2 4.24Å; H372-W379 HydrophobicContact CB-CZ3 3.48Å; H372-W379 VanDerWaalsContact CB-CZ3 3.48Å; H372-W379 CarbonylContact O-C 3.42Å; H372-W379 WeakPolarHBondContact O-CA 3.33Å; H372-W379 VanDerWaalsContact O-CE3 3.29Å; H372-R380 HydrophobicContact CB-CB 4.38Å; H372-R380 VanDerWaalsContact O-CB 3.32Å; H372-R380 WeakPolarHBondContact O-CB 3.16Å; H372-R380 PolarHBondContact O-N 2.96Å; H372-P381 HydrophobicContact CB-CG 4.3Å
373	G	93.5	Very high	92.3	Very high	4 Å²	4	58.5 Å²	58.5	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.9	-151.6	-175.6	0	0	0	0	0	113.3	F366 M367 S370 W378 W379	F366-G373 CarbonylContact O-C 3.24Å; F366-G373 VanDerWaalsContact O-C 3.25Å; F366-G373 VanDerWaalsContact O-CA 3.3Å; F366-G373 WeakPolarHBondContact O-CA 3.21Å; M367-G373 WeakPolarHBondContact SD-CA 3.44Å; M367-G373 PolarHBondContact SD-N 3.47Å; M367-G373 VanDerWaalsContact SD-N 3.38Å; S370-G373 WeakPolarHBondContact CB-O 3.28Å; S370-G373 PolarHBondContact O-N 3.23Å; S370-G373 PolarHBondContact OG-N 3.5Å; S370-G373 PolarHBondContact OG-O 3.45Å; G373-W378 WeakPolarHBondContact CA-O 3.4Å; G373-W379 WeakPolarHBondContact O-CZ3 3.37Å
374	Q	92.9	Very high	92.3	Very high	83 Å²	83	59.3 Å²	59.3	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.1	-178.3	-168	-176.2	-40.6	0	0	109.9	F366 E377 W378	F366-Q374 HydrophobicContact CB-CB 3.97Å; F366-Q374 HydrophobicContact CD1-CB 4.26Å; Q374-E377 WeakPolarHBondContact CG-OE2 3.41Å; Q374-E377 PolarHBondContact NE2-OE1 3.4Å; Q374-E377 PolarHBondContact NE2-OE2 2.83Å; Q374-E377 VanDerWaalsContact NE2-OE2 3.11Å; Q374-E377 PolarHBondContact O-N 3.36Å; Q374-W378 PolarHBondContact N-O 3.31Å; Q374-W378 VanDerWaalsContact N-O 3.16Å; Q374-W378 CarbonylContact O-C 3.59Å; Q374-W378 PolarHBondContact O-N 2.86Å
375	W	86.8	Confident	92.4	Very high	136 Å²	136	58.6 Å²	58.6	52%	0.515	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	131	171	172.6	-94	0	0	0	110	A298 W379 T382	A298-W375 WeakPolarHBondContact O-CH2 3.27Å; A298-W375 WeakPolarHBondContact O-CZ2 3.16Å; W375-W379 HydrophobicContact CB-CB 4.43Å; W375-W379 HydrophobicContact CB-CD2 4.15Å; W375-W379 HydrophobicContact CB-CE3 4.46Å; W375-W379 HydrophobicContact CB-CG 4.13Å; W375-W379 HydrophobicContact CE3-CB 4.07Å; W375-W379 AromaticContact CE3-CD1 3.75Å; W375-W379 HydrophobicContact CE3-CG 4.07Å; W375-T382 HydrophobicContact CZ3-CG2 4.37Å
376	A	87.1	Confident	92.6	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	cis	-101	12.2	5.1	0	0	0	0	0	114.1	V301 T304	V301-A376 HydrophobicContact CG1-CB 4.24Å; T304-A376 PolarHBondContact OG1-O 3.04Å
377	E	92.5	Very high	92.8	Very high	46 Å²	46	53.4 Å²	53.4	22%	0.215	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-67	-174.3	-66.1	79.5	180	0	0	113.1	V301 T304 F366 Q374	V301-E377 HydrophobicContact CG2-CB 4.41Å; V301-E377 HydrophobicContact CG2-CG 4.12Å; T304-E377 WeakPolarHBondContact CB-O 3.43Å; T304-E377 PolarHBondContact OG1-O 2.63Å; F366-E377 HydrophobicContact CD1-CB 3.79Å; F366-E377 HydrophobicContact CD1-CG 3.98Å; F366-E377 HydrophobicContact CD2-CB 4.27Å; F366-E377 HydrophobicContact CE1-CB 3.79Å; F366-E377 HydrophobicContact CE1-CG 3.64Å; F366-E377 HydrophobicContact CE2-CB 4.27Å; F366-E377 HydrophobicContact CG-CB 4.05Å; F366-E377 HydrophobicContact CZ-CB 4.04Å; F366-E377 HydrophobicContact CZ-CG 4.1Å; Q374-E377 WeakPolarHBondContact CG-OE2 3.41Å; Q374-E377 PolarHBondContact NE2-OE1 3.4Å; Q374-E377 PolarHBondContact NE2-OE2 2.83Å; Q374-E377 VanDerWaalsContact NE2-OE2 3.11Å; Q374-E377 PolarHBondContact O-N 3.36Å
378	W	94.9	Very high	93	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	99	176.9	-162.3	-122.6	0	0	0	108.7	F303 T304 H307 L308 V311 E354 F355 I363 F366 G373 Q374 Y386	F303-W378 HydrophobicContact CE1-CB 4.1Å; T304-W378 HydrophobicContact CG2-CE3 4.06Å; T304-W378 HydrophobicContact CG2-CZ3 4.06Å; H307-W378 AromaticContact CD2-CD2 3.61Å; H307-W378 AromaticContact CD2-CE2 3.47Å; H307-W378 VanDerWaalsContact CD2-CE2 3.47Å; H307-W378 AromaticContact CD2-CE3 3.71Å; H307-W378 AromaticContact CD2-CH2 3.63Å; H307-W378 AromaticContact CD2-CZ2 3.5Å; H307-W378 AromaticContact CD2-CZ3 3.73Å; H307-W378 AromaticContact NE2-CE2 3.7Å; H307-W378 AromaticContact NE2-CZ2 3.75Å; H307-W378 AromaticContact NE2-NE1 3.92Å; L308-W378 HydrophobicContact CD2-CH2 3.74Å; L308-W378 HydrophobicContact CD2-CZ3 3.83Å; L308-W378 HydrophobicContact CG-CH2 4.3Å; L308-W378 HydrophobicContact CG-CZ3 3.95Å; V311-W378 HydrophobicContact CG2-CH2 4.26Å; V311-W378 HydrophobicContact CG2-CZ2 4.24Å; E354-W378 HydrophobicContact CB-CZ2 4.37Å; E354-W378 PolarHBondContact O-NE1 3.04Å; F355-W378 AromaticContact CD1-CD1 3.51Å; F355-W378 HydrophobicContact CD1-CG 4.38Å; F355-W378 AromaticContact CD1-NE1 3.38Å; F355-W378 AromaticContact CE1-CD1 3.47Å; F355-W378 VanDerWaalsContact CE1-CD1 3.47Å; F355-W378 HydrophobicContact CE1-CD2 4.03Å; F355-W378 AromaticContact CE1-CE2 3.61Å; F355-W378 AromaticContact CE1-CG 3.96Å; F355-W378 HydrophobicContact CE1-CG 3.96Å; F355-W378 HydrophobicContact CE1-CZ2 4.27Å; F355-W378 AromaticContact CE1-NE1 3.24Å; F355-W378 AromaticContact CZ-CE2 3.92Å; F355-W378 HydrophobicContact CZ-CZ2 4.11Å; F355-W378 AromaticContact CZ-NE1 3.89Å; I363-W378 HydrophobicContact CG2-CG 4.22Å; F366-W378 HydrophobicContact CD2-CB 4.35Å; G373-W378 WeakPolarHBondContact CA-O 3.4Å; Q374-W378 PolarHBondContact N-O 3.31Å; Q374-W378 VanDerWaalsContact N-O 3.16Å; Q374-W378 CarbonylContact O-C 3.59Å; Q374-W378 PolarHBondContact O-N 2.86Å; W378-Y386 HydrophobicContact CD2-CE2 4.07Å; W378-Y386 HydrophobicContact CE3-CD2 4.35Å; W378-Y386 HydrophobicContact CE3-CE1 4.5Å; W378-Y386 AromaticContact CE3-CE2 3.65Å; W378-Y386 HydrophobicContact CE3-CE2 3.65Å; W378-Y386 AromaticContact CE3-CZ 3.73Å; W378-Y386 AromaticContact CH2-CD2 3.71Å; W378-Y386 HydrophobicContact CH2-CD2 3.71Å; W378-Y386 AromaticContact CH2-CE2 3.85Å; W378-Y386 HydrophobicContact CH2-CE2 3.85Å; W378-Y386 HydrophobicContact CH2-CG 4.25Å; W378-Y386 HydrophobicContact CZ2-CD2 4.22Å; W378-Y386 HydrophobicContact CZ2-CE2 4.26Å; W378-Y386 HydrophobicContact CZ3-CD1 4.39Å; W378-Y386 AromaticContact CZ3-CD2 3.77Å; W378-Y386 HydrophobicContact CZ3-CD2 3.77Å; W378-Y386 HydrophobicContact CZ3-CE1 4.15Å; W378-Y386 AromaticContact CZ3-CE2 3.52Å; W378-Y386 HydrophobicContact CZ3-CE2 3.52Å; W378-Y386 HydrophobicContact CZ3-CG 4.22Å; W378-Y386 AromaticContact CZ3-CZ 3.72Å
379	W	95.2	Very high	93.4	Very high	68 Å²	68	43.3 Å²	43.3	26%	0.258	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111	-167.2	-173.6	-120.3	0	0	0	111	H372 G373 W375 P381 T382 Y386	H372-W379 HydrophobicContact CB-CE3 3.98Å; H372-W379 HydrophobicContact CB-CH2 3.62Å; H372-W379 HydrophobicContact CB-CZ2 4.24Å; H372-W379 HydrophobicContact CB-CZ3 3.48Å; H372-W379 VanDerWaalsContact CB-CZ3 3.48Å; H372-W379 CarbonylContact O-C 3.42Å; H372-W379 WeakPolarHBondContact O-CA 3.33Å; H372-W379 VanDerWaalsContact O-CE3 3.29Å; G373-W379 WeakPolarHBondContact O-CZ3 3.37Å; W375-W379 HydrophobicContact CB-CB 4.43Å; W375-W379 HydrophobicContact CB-CD2 4.15Å; W375-W379 HydrophobicContact CB-CE3 4.46Å; W375-W379 HydrophobicContact CB-CG 4.13Å; W375-W379 HydrophobicContact CE3-CB 4.07Å; W375-W379 AromaticContact CE3-CD1 3.75Å; W375-W379 HydrophobicContact CE3-CG 4.07Å; W379-P381 HydrophobicContact CD2-CG 4.24Å; W379-P381 VanDerWaalsContact CE2-CD 3.5Å; W379-P381 HydrophobicContact CZ2-CG 3.78Å; W379-T382 VanDerWaalsContact CD1-OG1 3.31Å; W379-T382 VanDerWaalsContact O-CB 3.31Å; W379-T382 WeakPolarHBondContact O-CB 3.18Å; W379-T382 PolarHBondContact O-N 3.5Å; W379-Y386 PolarHBondContact N-OH 2.83Å; W379-Y386 VanDerWaalsContact N-OH 3.1Å
380	R	96	Very high	94.1	Very high	61 Å²	61	35 Å²	35	23%	0.23	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-56	-41.3	-174.4	-170.7	174.5	-174.3	-166.4	2.8	114.1	F351 F355 H372 T382 S383	F351-R380 HydrophobicContact CD2-CG 3.7Å; F351-R380 VanDerWaalsContact CE1-NH2 3.29Å; F351-R380 HydrophobicContact CE2-CG 3.58Å; F351-R380 HydrophobicContact CG-CG 4.47Å; F351-R380 HydrophobicContact CZ-CG 4.25Å; F351-R380 PolarHBondContact O-NE 2.74Å; F351-R380 VanDerWaalsContact O-NE 3.07Å; F351-R380 PolarHBondContact O-NH2 3.33Å; F355-R380 HydrophobicContact CB-CB 4.45Å; F355-R380 HydrophobicContact CB-CG 4.15Å; F355-R380 HydrophobicContact CD1-CB 3.58Å; F355-R380 HydrophobicContact CD1-CG 3.99Å; F355-R380 HydrophobicContact CD2-CB 4.19Å; F355-R380 HydrophobicContact CD2-CG 3.69Å; F355-R380 HydrophobicContact CE1-CB 3.81Å; F355-R380 HydrophobicContact CE1-CG 4.35Å; F355-R380 HydrophobicContact CE2-CB 4.37Å; F355-R380 HydrophobicContact CE2-CG 4.06Å; F355-R380 HydrophobicContact CG-CB 3.8Å; F355-R380 HydrophobicContact CG-CG 3.65Å; F355-R380 HydrophobicContact CZ-CB 4.2Å; F355-R380 HydrophobicContact CZ-CG 4.38Å; H372-R380 HydrophobicContact CB-CB 4.38Å; H372-R380 VanDerWaalsContact O-CB 3.32Å; H372-R380 WeakPolarHBondContact O-CB 3.16Å; H372-R380 PolarHBondContact O-N 2.96Å; R380-T382 PolarHBondContact O-N 3.17Å; R380-T382 VanDerWaalsContact O-N 3.07Å; R380-S383 WeakPolarHBondContact O-CB 3.25Å; R380-S383 PolarHBondContact O-N 3.46Å; R380-S383 VanDerWaalsContact O-N 3.12Å; R380-S383 PolarHBondContact O-OG 2.63Å
381	P	93.4	Very high	94.4	Very high	32 Å²	32	33.3 Å²	33.3	21%	0.208	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-62	-11.7	174.6	-26.3	36.5	0	0	0	115.4	Y246 H372 W379	Y246-P381 WeakPolarHBondContact CE2-O 3.38Å; Y246-P381 PolarHBondContact OH-O 3.13Å; H372-P381 HydrophobicContact CB-CG 4.3Å; W379-P381 HydrophobicContact CD2-CG 4.24Å; W379-P381 VanDerWaalsContact CE2-CD 3.5Å; W379-P381 HydrophobicContact CZ2-CG 3.78Å
382	T	93.8	Very high	94.9	Very high	14 Å²	14	28 Å²	28	9%	0.086	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-92.8	9.7	176.9	-60.7	0	0	0	0	112.8	Y299 W375 W379 R380 S384 M385 Y386	Y299-T382 HydrophobicContact CD2-CG2 4.19Å; Y299-T382 HydrophobicContact CG-CG2 3.94Å; W375-T382 HydrophobicContact CZ3-CG2 4.37Å; W379-T382 VanDerWaalsContact CD1-OG1 3.31Å; W379-T382 VanDerWaalsContact O-CB 3.31Å; W379-T382 WeakPolarHBondContact O-CB 3.18Å; W379-T382 PolarHBondContact O-N 3.5Å; R380-T382 PolarHBondContact O-N 3.17Å; R380-T382 VanDerWaalsContact O-N 3.07Å; T382-S384 PolarHBondContact O-N 2.99Å; T382-S384 VanDerWaalsContact O-N 3.08Å; T382-M385 HydrophobicContact CG2-CB 3.56Å; T382-M385 HydrophobicContact CG2-CG 3.85Å; T382-M385 WeakPolarHBondContact O-CA 3.39Å; T382-M385 WeakPolarHBondContact O-CB 3.06Å; T382-M385 PolarHBondContact O-N 2.87Å; T382-Y386 HydrophobicContact CG2-CD1 4.08Å; T382-Y386 HydrophobicContact CG2-CE1 3.71Å; T382-Y386 PolarHBondContact O-N 2.9Å; T382-Y386 VanDerWaalsContact O-N 3.09Å
383	S	97.3	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.5	-35.9	-178.8	-66.2	0	0	0	0	114.4	F355 R380 M385 Y386 A387	F355-S383 VanDerWaalsContact CE2-OG 3.26Å; F355-S383 WeakPolarHBondContact CE2-OG 3.44Å; R380-S383 WeakPolarHBondContact O-CB 3.25Å; R380-S383 PolarHBondContact O-N 3.46Å; R380-S383 VanDerWaalsContact O-N 3.12Å; R380-S383 PolarHBondContact O-OG 2.63Å; S383-M385 VanDerWaalsContact C-N 3.35Å; S383-Y386 PolarHBondContact O-N 3.1Å; S383-A387 WeakPolarHBondContact O-CB 3.42Å; S383-A387 PolarHBondContact O-N 3.07Å
384	S	96	Very high	95.5	Very high	17 Å²	17	26.5 Å²	26.5	12%	0.119	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-38.4	176.4	56.8	0	0	0	0	112.8	Y246 T382 Q388	Y246-S384 PolarHBondContact OH-N 3.4Å; Y246-S384 PolarHBondContact OH-OG 2.66Å; Y246-S384 VanDerWaalsContact OH-OG 3.11Å; T382-S384 PolarHBondContact O-N 2.99Å; T382-S384 VanDerWaalsContact O-N 3.08Å; S384-Q388 VanDerWaalsContact O-CB 3.31Å; S384-Q388 WeakPolarHBondContact O-CB 3.37Å; S384-Q388 WeakPolarHBondContact O-CG 3.35Å; S384-Q388 PolarHBondContact O-N 3.06Å
385	M	96	Very high	95.7	Very high	28 Å²	28	26 Å²	26	14%	0.138	12%	0.118	C	C	.	.	H	α-helix	trans	-71.6	-37	177.7	-58	-61.9	-62.4	0	0	111.7	Y299 I325 T382 S383 Q388 E389	Y299-M385 HydrophobicContact CD1-CB 3.95Å; Y299-M385 HydrophobicContact CD1-CE 3.68Å; Y299-M385 HydrophobicContact CD1-CG 4.31Å; Y299-M385 HydrophobicContact CD2-CB 4.49Å; Y299-M385 HydrophobicContact CE1-CB 3.79Å; Y299-M385 HydrophobicContact CE1-CE 3.29Å; Y299-M385 HydrophobicContact CE1-CG 4.39Å; Y299-M385 HydrophobicContact CE2-CB 4.31Å; Y299-M385 HydrophobicContact CG-CB 4.32Å; Y299-M385 PolarHBondContact OH-O 2.86Å; I325-M385 WeakPolarHBondContact O-CE 3.38Å; T382-M385 HydrophobicContact CG2-CB 3.56Å; T382-M385 HydrophobicContact CG2-CG 3.85Å; T382-M385 WeakPolarHBondContact O-CA 3.39Å; T382-M385 WeakPolarHBondContact O-CB 3.06Å; T382-M385 PolarHBondContact O-N 2.87Å; S383-M385 VanDerWaalsContact C-N 3.35Å; M385-Q388 WeakPolarHBondContact O-CG 2.85Å; M385-E389 WeakPolarHBondContact O-CB 3.24Å; M385-E389 PolarHBondContact O-N 3.37Å
386	Y	98	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-47.1	173.3	-62.9	-22	0	0	0	111.3	Y299 T304 L308 F355 W378 W379 T382 S383 Q388 E389 I390	Y299-Y386 AromaticContact CD2-CD1 3.92Å; Y299-Y386 HydrophobicContact CD2-CD1 3.92Å; Y299-Y386 AromaticContact CD2-CE1 3.67Å; Y299-Y386 HydrophobicContact CD2-CE1 3.67Å; Y299-Y386 AromaticContact CE2-CD1 3.93Å; Y299-Y386 HydrophobicContact CE2-CD1 3.93Å; Y299-Y386 HydrophobicContact CE2-CE1 4.15Å; T304-Y386 HydrophobicContact CG2-CD1 4.49Å; T304-Y386 HydrophobicContact CG2-CE1 3.61Å; L308-Y386 HydrophobicContact CD1-CD1 3.9Å; L308-Y386 HydrophobicContact CD1-CE1 4.36Å; L308-Y386 HydrophobicContact CD2-CD1 3.85Å; L308-Y386 HydrophobicContact CD2-CD2 4.5Å; L308-Y386 HydrophobicContact CD2-CG 3.75Å; L308-Y386 HydrophobicContact CG-CD1 4.37Å; F355-Y386 HydrophobicContact CE1-CE2 4.21Å; F355-Y386 AromaticContact CZ-CD2 3.95Å; F355-Y386 HydrophobicContact CZ-CD2 3.95Å; F355-Y386 AromaticContact CZ-CE2 3.82Å; F355-Y386 HydrophobicContact CZ-CE2 3.82Å; W378-Y386 HydrophobicContact CD2-CE2 4.07Å; W378-Y386 HydrophobicContact CE3-CD2 4.35Å; W378-Y386 HydrophobicContact CE3-CE1 4.5Å; W378-Y386 AromaticContact CE3-CE2 3.65Å; W378-Y386 HydrophobicContact CE3-CE2 3.65Å; W378-Y386 AromaticContact CE3-CZ 3.73Å; W378-Y386 AromaticContact CH2-CD2 3.71Å; W378-Y386 HydrophobicContact CH2-CD2 3.71Å; W378-Y386 AromaticContact CH2-CE2 3.85Å; W378-Y386 HydrophobicContact CH2-CE2 3.85Å; W378-Y386 HydrophobicContact CH2-CG 4.25Å; W378-Y386 HydrophobicContact CZ2-CD2 4.22Å; W378-Y386 HydrophobicContact CZ2-CE2 4.26Å; W378-Y386 HydrophobicContact CZ3-CD1 4.39Å; W378-Y386 AromaticContact CZ3-CD2 3.77Å; W378-Y386 HydrophobicContact CZ3-CD2 3.77Å; W378-Y386 HydrophobicContact CZ3-CE1 4.15Å; W378-Y386 AromaticContact CZ3-CE2 3.52Å; W378-Y386 HydrophobicContact CZ3-CE2 3.52Å; W378-Y386 HydrophobicContact CZ3-CG 4.22Å; W378-Y386 AromaticContact CZ3-CZ 3.72Å; W379-Y386 PolarHBondContact N-OH 2.83Å; W379-Y386 VanDerWaalsContact N-OH 3.1Å; T382-Y386 HydrophobicContact CG2-CD1 4.08Å; T382-Y386 HydrophobicContact CG2-CE1 3.71Å; T382-Y386 PolarHBondContact O-N 2.9Å; T382-Y386 VanDerWaalsContact O-N 3.09Å; S383-Y386 PolarHBondContact O-N 3.1Å; Y386-Q388 PolarHBondContact O-N 2.84Å; Y386-E389 PolarHBondContact O-N 2.84Å; Y386-I390 WeakPolarHBondContact O-CG1 3.4Å; Y386-I390 PolarHBondContact O-N 3.16Å; Y386-I390 VanDerWaalsContact O-N 3.15Å
387	A	98.3	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-44.2	-179.8	0	0	0	0	0	112.4	L346 T347 L350 S383 E389 I390 V391	L346-A387 HydrophobicContact CB-CB 3.97Å; L346-A387 HydrophobicContact CD2-CB 4.22Å; L346-A387 HydrophobicContact CG-CB 3.86Å; T347-A387 VanDerWaalsContact N-CB 3.35Å; T347-A387 VanDerWaalsContact OG1-CB 3.24Å; T347-A387 WeakPolarHBondContact OG1-CB 3.08Å; L350-A387 HydrophobicContact CD1-CB 3.8Å; S383-A387 WeakPolarHBondContact O-CB 3.42Å; S383-A387 PolarHBondContact O-N 3.07Å; A387-E389 VanDerWaalsContact C-N 3.27Å; A387-E389 PolarHBondContact O-N 2.94Å; A387-I390 PolarHBondContact O-N 2.91Å; A387-V391 WeakPolarHBondContact O-CB 3.22Å; A387-V391 WeakPolarHBondContact O-CG2 3.49Å; A387-V391 PolarHBondContact O-N 2.78Å
388	Q	97.2	Very high	95.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-35.6	179.7	79.7	176.2	21.6	0	0	111.3	I325 G326 W329 S384 M385 Y386 V391 L392	I325-Q388 PolarHBondContact O-NE2 2.83Å; G326-Q388 PolarHBondContact O-NE2 3.42Å; W329-Q388 HydrophobicContact CH2-CB 4.31Å; W329-Q388 HydrophobicContact CZ2-CB 3.64Å; W329-Q388 HydrophobicContact CZ2-CG 4.46Å; S384-Q388 VanDerWaalsContact O-CB 3.31Å; S384-Q388 WeakPolarHBondContact O-CB 3.37Å; S384-Q388 WeakPolarHBondContact O-CG 3.35Å; S384-Q388 PolarHBondContact O-N 3.06Å; M385-Q388 WeakPolarHBondContact O-CG 2.85Å; Y386-Q388 PolarHBondContact O-N 2.84Å; Q388-V391 PolarHBondContact O-N 2.8Å; Q388-L392 WeakPolarHBondContact O-CB 3.42Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.22Å; Q388-L392 PolarHBondContact O-N 2.69Å
389	E	97.8	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-48.2	177.1	179.5	171.1	128.1	0	0	111.3	Y299 L308 H319 H323 N324 I325 M385 Y386 A387 V391 L392 N393	Y299-E389 WeakPolarHBondContact CE2-OE2 3.48Å; Y299-E389 VanDerWaalsContact CZ-OE2 3.32Å; Y299-E389 PolarHBondContact OH-OE2 2.03Å; L308-E389 VanDerWaalsContact CD1-OE1 3.25Å; L308-E389 WeakPolarHBondContact CD1-OE1 3.35Å; H319-E389 IonicContact CE1-OE1 3.23Å; H319-E389 IonicContact NE2-OE1 3.96Å; H319-E389 PolarHBondContact NE2-OE1 3.09Å; H323-E389 IonicContact CE1-OE1 3.92Å; H323-E389 IonicContact CG-OE1 3.4Å; H323-E389 IonicContact ND1-OE1 2.71Å; H323-E389 PolarHBondContact ND1-OE1 3.44Å; N324-E389 PolarHBondContact N-OE2 3.03Å; I325-E389 HydrophobicContact CD1-CB 4.41Å; I325-E389 HydrophobicContact CD1-CG 4Å; I325-E389 HydrophobicContact CG1-CG 4.18Å; M385-E389 WeakPolarHBondContact O-CB 3.24Å; M385-E389 PolarHBondContact O-N 3.37Å; Y386-E389 PolarHBondContact O-N 2.84Å; A387-E389 VanDerWaalsContact C-N 3.27Å; A387-E389 PolarHBondContact O-N 2.94Å; E389-V391 PolarHBondContact O-N 3.01Å; E389-L392 PolarHBondContact O-N 2.95Å; E389-N393 WeakPolarHBondContact O-CB 3.42Å; E389-N393 PolarHBondContact O-N 3.03Å; E389-N393 PolarHBondContact O-ND2 2.85Å
390	I	98.6	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-45.4	177.1	-63.9	175.5	0	0	0	110.4	L308 V311 A312 Y317 L346 L350 Y386 A387 L392 N393 H394	L308-I390 HydrophobicContact CD2-CD1 4.31Å; V311-I390 HydrophobicContact CG1-CD1 4.12Å; A312-I390 HydrophobicContact CB-CD1 4.12Å; A312-I390 HydrophobicContact CB-CG1 4.05Å; A312-I390 HydrophobicContact CB-CG2 3.9Å; Y317-I390 VanDerWaalsContact CB-CG2 3.47Å; Y317-I390 HydrophobicContact CD1-CG2 4.08Å; Y317-I390 HydrophobicContact CD2-CG2 4.07Å; Y317-I390 HydrophobicContact CG-CG2 3.62Å; L346-I390 HydrophobicContact CD2-CB 3.73Å; L346-I390 HydrophobicContact CD2-CD1 4.36Å; L346-I390 HydrophobicContact CD2-CG2 3.63Å; L350-I390 HydrophobicContact CD1-CD1 4.26Å; L350-I390 HydrophobicContact CD2-CD1 4.49Å; Y386-I390 WeakPolarHBondContact O-CG1 3.4Å; Y386-I390 PolarHBondContact O-N 3.16Å; Y386-I390 VanDerWaalsContact O-N 3.15Å; A387-I390 PolarHBondContact O-N 2.91Å; I390-L392 PolarHBondContact O-N 3.05Å; I390-N393 PolarHBondContact O-N 3.36Å; I390-H394 WeakPolarHBondContact O-CB 3.26Å; I390-H394 PolarHBondContact O-N 3.07Å
391	V	98.5	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-45.5	179.2	161.4	0	0	0	0	111.7	L339 A343 L346 A387 Q388 E389 H394 F395	L339-V391 HydrophobicContact CB-CG1 4.48Å; L339-V391 HydrophobicContact CD2-CG1 4.03Å; A343-V391 HydrophobicContact CB-CG1 4.49Å; A343-V391 HydrophobicContact CB-CG2 4.42Å; L346-V391 HydrophobicContact CB-CG2 4.43Å; L346-V391 HydrophobicContact CD2-CG2 3.98Å; A387-V391 WeakPolarHBondContact O-CB 3.22Å; A387-V391 WeakPolarHBondContact O-CG2 3.49Å; A387-V391 PolarHBondContact O-N 2.78Å; Q388-V391 PolarHBondContact O-N 2.8Å; E389-V391 PolarHBondContact O-N 3.01Å; V391-H394 PolarHBondContact O-N 3.42Å; V391-F395 HydrophobicContact CB-CD2 4.5Å; V391-F395 HydrophobicContact CG1-CD2 3.95Å; V391-F395 WeakPolarHBondContact O-CB 3.07Å; V391-F395 WeakPolarHBondContact O-CD2 3.36Å; V391-F395 PolarHBondContact O-N 3.45Å
392	L	98.2	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-41.6	-179.8	-68.7	174.1	0	0	0	111.6	F292 I325 W329 L339 Q388 E389 I390 H394 L396 L399	F292-L392 HydrophobicContact CD1-CD2 4.45Å; F292-L392 HydrophobicContact CE1-CD1 4.13Å; F292-L392 HydrophobicContact CE1-CD2 3.67Å; F292-L392 HydrophobicContact CZ-CD1 4.38Å; F292-L392 HydrophobicContact CZ-CD2 3.73Å; I325-L392 HydrophobicContact CD1-CB 4.11Å; I325-L392 HydrophobicContact CD1-CD1 4.31Å; I325-L392 HydrophobicContact CG2-CD1 3.48Å; I325-L392 VanDerWaalsContact CG2-CD1 3.48Å; W329-L392 HydrophobicContact CH2-CD2 4.48Å; W329-L392 HydrophobicContact CZ2-CD1 3.72Å; W329-L392 HydrophobicContact CZ2-CD2 4.07Å; W329-L392 HydrophobicContact CZ2-CG 3.9Å; L339-L392 HydrophobicContact CD1-CD2 3.78Å; L339-L392 HydrophobicContact CD2-CD2 4.25Å; L339-L392 HydrophobicContact CG-CD2 4.48Å; Q388-L392 WeakPolarHBondContact O-CB 3.42Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.22Å; Q388-L392 PolarHBondContact O-N 2.69Å; E389-L392 PolarHBondContact O-N 2.95Å; I390-L392 PolarHBondContact O-N 3.05Å; L392-H394 PolarHBondContact O-N 2.81Å; L392-L396 HydrophobicContact CD2-CB 4.43Å; L392-L396 HydrophobicContact CD2-CD2 4.41Å; L392-L396 VanDerWaalsContact O-CB 3.3Å; L392-L396 WeakPolarHBondContact O-CB 3.39Å; L392-L396 PolarHBondContact O-N 3.41Å; L392-L399 HydrophobicContact CB-CD1 4.46Å; L392-L399 HydrophobicContact CB-CD2 4.26Å
393	N	98.2	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-36.4	172.7	-87.2	-88.4	0	0	0	112.1	R318 H319 R320 I322 E389 I390 L399	R318-N393 CarbonylContact O-C 3.23Å; H319-N393 PolarHBondContact NE2-ND2 2.77Å; R320-N393 WeakPolarHBondContact CB-OD1 3.41Å; R320-N393 VanDerWaalsContact CZ-O 3.27Å; R320-N393 PolarHBondContact N-OD1 3.14Å; R320-N393 PolarHBondContact NE-O 2.89Å; R320-N393 PolarHBondContact NH2-O 3.3Å; I322-N393 PolarHBondContact O-ND2 3.13Å; E389-N393 WeakPolarHBondContact O-CB 3.42Å; E389-N393 PolarHBondContact O-N 3.03Å; E389-N393 PolarHBondContact O-ND2 2.85Å; I390-N393 PolarHBondContact O-N 3.36Å; N393-L399 HydrophobicContact CB-CD2 4.43Å
394	H	98.3	Very high	94.8	Very high	53 Å²	53	31.2 Å²	31.2	25%	0.245	17%	0.174	C	C	.	.	H	α-helix	trans	-76	-50.7	-178.4	-168.7	72.2	0	0	0	112.9	Y317 R318 I390 V391 L392	Y317-H394 HydrophobicContact CD1-CB 4.01Å; Y317-H394 AromaticContact CD1-CG 3.77Å; R318-H394 PolarHBondContact N-ND1 2.59Å; R318-H394 PolarHBondContact NH2-O 2.82Å; R318-H394 WeakPolarHBondContact O-CA 2.99Å; R318-H394 PolarHBondContact O-N 2.77Å; I390-H394 WeakPolarHBondContact O-CB 3.26Å; I390-H394 PolarHBondContact O-N 3.07Å; V391-H394 PolarHBondContact O-N 3.42Å; L392-H394 PolarHBondContact O-N 2.81Å
395	F	97.2	Very high	94.8	Very high	73 Å²	73	33.6 Å²	33.6	32%	0.32	18%	0.18	S	C	.	.	H	α-helix	trans	-101.8	-20.5	-166.2	-68.3	-72.9	0	0	0	115.2	Y317 L339 Y342 V391	Y317-F395 HydrophobicContact CE1-CE2 4.36Å; L339-F395 HydrophobicContact CD2-CB 3.7Å; Y342-F395 AromaticContact CD1-CE2 3.86Å; Y342-F395 HydrophobicContact CD1-CE2 3.86Å; Y342-F395 AromaticContact CD1-CZ 3.7Å; Y342-F395 HydrophobicContact CD1-CZ 3.7Å; Y342-F395 HydrophobicContact CD2-CD2 4.02Å; Y342-F395 HydrophobicContact CD2-CE1 4.34Å; Y342-F395 AromaticContact CD2-CE2 3.73Å; Y342-F395 HydrophobicContact CD2-CE2 3.73Å; Y342-F395 HydrophobicContact CD2-CG 4.43Å; Y342-F395 AromaticContact CD2-CZ 3.9Å; Y342-F395 HydrophobicContact CD2-CZ 3.9Å; Y342-F395 HydrophobicContact CE1-CE1 4.33Å; Y342-F395 HydrophobicContact CE1-CE2 4.37Å; Y342-F395 AromaticContact CE1-CZ 3.76Å; Y342-F395 HydrophobicContact CE1-CZ 3.76Å; Y342-F395 HydrophobicContact CE2-CD1 4.38Å; Y342-F395 HydrophobicContact CE2-CE1 4.04Å; Y342-F395 HydrophobicContact CE2-CE2 4.25Å; Y342-F395 AromaticContact CE2-CZ 3.96Å; Y342-F395 HydrophobicContact CE2-CZ 3.96Å; Y342-F395 HydrophobicContact CG-CD2 4.18Å; Y342-F395 AromaticContact CG-CE2 3.51Å; Y342-F395 HydrophobicContact CG-CE2 3.51Å; Y342-F395 AromaticContact CG-CZ 3.77Å; Y342-F395 HydrophobicContact CG-CZ 3.77Å; Y342-F395 AromaticContact CZ-CZ 3.89Å; V391-F395 HydrophobicContact CB-CD2 4.5Å; V391-F395 HydrophobicContact CG1-CD2 3.95Å; V391-F395 WeakPolarHBondContact O-CB 3.07Å; V391-F395 WeakPolarHBondContact O-CD2 3.36Å; V391-F395 PolarHBondContact O-N 3.45Å
396	L	94.2	Very high	94.6	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	19%	0.185	C	C	.	.			trans	-97.2	98.8	-176.8	-171.5	69.8	0	0	0	110.9	F292 R320 L335 L392 D398 L399	F292-L396 HydrophobicContact CB-CD1 4.02Å; F292-L396 HydrophobicContact CB-CD2 4.28Å; F292-L396 HydrophobicContact CD1-CD2 3.58Å; F292-L396 HydrophobicContact CE1-CD2 4.24Å; F292-L396 HydrophobicContact CG-CD1 4.42Å; F292-L396 HydrophobicContact CG-CD2 4.2Å; R320-L396 PolarHBondContact NH1-O 2.95Å; R320-L396 VanDerWaalsContact NH1-O 3.11Å; R320-L396 VanDerWaalsContact NH2-C 3.26Å; R320-L396 PolarHBondContact NH2-O 2.8Å; L335-L396 HydrophobicContact CD2-CD1 4.24Å; L392-L396 HydrophobicContact CD2-CB 4.43Å; L392-L396 HydrophobicContact CD2-CD2 4.41Å; L392-L396 VanDerWaalsContact O-CB 3.3Å; L392-L396 WeakPolarHBondContact O-CB 3.39Å; L392-L396 PolarHBondContact O-N 3.41Å; L396-D398 VanDerWaalsContact C-N 3.28Å; L396-D398 WeakPolarHBondContact CD1-OD1 3.42Å; L396-D398 VanDerWaalsContact CG-OD1 3.3Å; L396-D398 WeakPolarHBondContact CG-OD1 3.43Å; L396-D398 PolarHBondContact O-N 3.2Å; L396-L399 HydrophobicContact CB-CB 4.36Å; L396-L399 HydrophobicContact CD2-CB 4.19Å; L396-L399 HydrophobicContact CD2-CD1 4Å; L396-L399 HydrophobicContact CG-CB 4.4Å; L396-L399 WeakPolarHBondContact O-CB 3.12Å; L396-L399 PolarHBondContact O-N 2.9Å
397	D	89.2	Confident	94.3	Very high	128 Å²	128	36.3 Å²	36.3	68%	0.684	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-34	-175.3	-72.7	-31	0	0	0	113.7	R318 R320 L399	R318-D397 IonicContact NH2-OD1 3.03Å; R318-D397 PolarHBondContact NH2-OD1 3.26Å; R320-D397 PolarHBondContact NH1-O 3.37Å; R320-D397 IonicContact NH2-OD1 2.9Å; D397-L399 PolarHBondContact O-N 3.43Å
398	D	88.8	Confident	94.2	Very high	56 Å²	56	37.2 Å²	37.2	30%	0.299	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	20.6	179.9	66.1	-21.8	0	0	0	114.8	L396 S400 T403	L396-D398 VanDerWaalsContact C-N 3.28Å; L396-D398 WeakPolarHBondContact CD1-OD1 3.42Å; L396-D398 VanDerWaalsContact CG-OD1 3.3Å; L396-D398 WeakPolarHBondContact CG-OD1 3.43Å; L396-D398 PolarHBondContact O-N 3.2Å; D398-S400 PolarHBondContact O-N 3.49Å; D398-S400 VanDerWaalsContact O-N 3.11Å; D398-S400 PolarHBondContact O-OG 2.7Å; D398-T403 WeakPolarHBondContact O-CG2 3.45Å; D398-T403 PolarHBondContact O-OG1 3.08Å
399	L	93.4	Very high	94.1	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	21%	0.205	C	C	.	.			trans	-63.9	112.5	175.7	-171.8	69.5	0	0	0	111.3	I322 I325 L392 N393 L396 D397 T403 I404	I322-L399 HydrophobicContact CB-CD2 4.03Å; I322-L399 HydrophobicContact CD1-CB 4.23Å; I322-L399 HydrophobicContact CD1-CD2 3.97Å; I322-L399 HydrophobicContact CD1-CG 3.86Å; I322-L399 WeakPolarHBondContact CD1-O 3.46Å; I322-L399 HydrophobicContact CG2-CD2 3.95Å; I322-L399 HydrophobicContact CG2-CG 4.11Å; I325-L399 HydrophobicContact CD1-CD1 4.14Å; I325-L399 HydrophobicContact CD1-CD2 3.8Å; L392-L399 HydrophobicContact CB-CD1 4.46Å; L392-L399 HydrophobicContact CB-CD2 4.26Å; N393-L399 HydrophobicContact CB-CD2 4.43Å; L396-L399 HydrophobicContact CB-CB 4.36Å; L396-L399 HydrophobicContact CD2-CB 4.19Å; L396-L399 HydrophobicContact CD2-CD1 4Å; L396-L399 HydrophobicContact CG-CB 4.4Å; L396-L399 WeakPolarHBondContact O-CB 3.12Å; L396-L399 PolarHBondContact O-N 2.9Å; D397-L399 PolarHBondContact O-N 3.43Å; L399-T403 WeakPolarHBondContact CA-OG1 3.24Å; L399-I404 HydrophobicContact CD1-CD1 4.16Å; L399-I404 HydrophobicContact CD1-CG1 4.1Å
400	S	91.5	Very high	93.9	Very high	43 Å²	43	37.5 Å²	37.5	30%	0.301	21%	0.207	S	C	.	.	S	Bend	trans	-156	-179.5	-175.3	63	0	0	0	0	111.5	D398 E402 T403 I404	D398-S400 PolarHBondContact O-N 3.49Å; D398-S400 VanDerWaalsContact O-N 3.11Å; D398-S400 PolarHBondContact O-OG 2.7Å; S400-E402 PolarHBondContact O-N 3.38Å; S400-E402 PolarHBondContact OG-N 3.24Å; S400-T403 PolarHBondContact N-OG1 2.76Å; S400-T403 PolarHBondContact O-N 3.15Å; S400-T403 VanDerWaalsContact O-N 3.09Å; S400-T403 PolarHBondContact O-OG1 3.38Å; S400-I404 PolarHBondContact O-N 2.71Å
401	A	85.4	Confident	93.6	Very high	89 Å²	89	37.5 Å²	37.5	74%	0.736	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.4	172.1	0	0	0	0	0	113.1
402	E	88.6	Confident	93.2	Very high	119 Å²	119	40.2 Å²	40.2	56%	0.556	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.1	177.2	-62.9	-175.9	173.5	0	0	113.1	K290 S400 R405	K290-E402 WeakPolarHBondContact CE-OE2 3.27Å; K290-E402 IonicContact NZ-OE2 2.85Å; K290-E402 PolarHBondContact NZ-OE2 2.95Å; S400-E402 PolarHBondContact O-N 3.38Å; S400-E402 PolarHBondContact OG-N 3.24Å; E402-R405 WeakPolarHBondContact O-CD 3.01Å; E402-R405 WeakPolarHBondContact O-CG 3.43Å
403	T	93.4	Very high	92.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-22.7	175.7	56.1	0	0	0	0	112.7	K290 F292 I293 T294 D398 L399 S400 R405	K290-T403 HydrophobicContact CB-CG2 4.26Å; K290-T403 HydrophobicContact CD-CG2 4.37Å; K290-T403 HydrophobicContact CG-CG2 4.07Å; F292-T403 WeakPolarHBondContact O-CG2 3.27Å; I293-T403 CarbonylContact C-O 3.59Å; I293-T403 WeakPolarHBondContact CA-O 3.43Å; I293-T403 WeakPolarHBondContact CB-O 3.23Å; T294-T403 PolarHBondContact N-O 3.03Å; D398-T403 WeakPolarHBondContact O-CG2 3.45Å; D398-T403 PolarHBondContact O-OG1 3.08Å; L399-T403 WeakPolarHBondContact CA-OG1 3.24Å; S400-T403 PolarHBondContact N-OG1 2.76Å; S400-T403 PolarHBondContact O-N 3.15Å; S400-T403 VanDerWaalsContact O-N 3.09Å; S400-T403 PolarHBondContact O-OG1 3.38Å; T403-R405 PolarHBondContact O-N 2.92Å
404	I	94.6	Very high	92.2	Very high	32 Å²	32	41.8 Å²	41.8	16%	0.164	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-93.9	90.6	174.6	-57.7	173.7	0	0	0	108.6	T294 K296 I322 I325 L399 S400	T294-I404 HydrophobicContact CG2-CB 4.46Å; T294-I404 HydrophobicContact CG2-CG1 3.93Å; T294-I404 CarbonylContact O-C 3.45Å; K296-I404 HydrophobicContact CB-CG2 4.45Å; I322-I404 HydrophobicContact CG2-CD1 3.3Å; I325-I404 HydrophobicContact CD1-CD1 4.49Å; I325-I404 HydrophobicContact CG1-CD1 4.11Å; L399-I404 HydrophobicContact CD1-CD1 4.16Å; L399-I404 HydrophobicContact CD1-CG1 4.1Å; S400-I404 PolarHBondContact O-N 2.71Å
405	R	94.9	Very high	91.8	Very high	68 Å²	68	42.8 Å²	42.8	26%	0.257	23%	0.232	S	C	.	.			trans	-109.9	68.9	-170.2	-65.2	-61.6	-58.8	-85.3	0.9	111.7	T294 E402 T403 D407 L408 L409	T294-R405 PolarHBondContact O-N 2.93Å; E402-R405 WeakPolarHBondContact O-CD 3.01Å; E402-R405 WeakPolarHBondContact O-CG 3.43Å; T403-R405 PolarHBondContact O-N 2.92Å; R405-D407 WeakPolarHBondContact CA-OD1 3.33Å; R405-D407 IonicContact CZ-OD1 3.76Å; R405-D407 IonicContact CZ-OD2 3.38Å; R405-D407 IonicContact NE-OD1 3.79Å; R405-D407 PolarHBondContact NE-OD1 3.21Å; R405-D407 IonicContact NE-OD2 3.4Å; R405-D407 PolarHBondContact NE-OD2 3.34Å; R405-D407 IonicContact NH2-OD1 2.71Å; R405-D407 IonicContact NH2-OD2 2.99Å; R405-D407 PolarHBondContact NH2-OD2 3.39Å; R405-D407 PolarHBondContact O-N 3.39Å; R405-D407 VanDerWaalsContact O-N 3.14Å; R405-L408 HydrophobicContact CB-CB 4.09Å; R405-L408 HydrophobicContact CB-CD1 4.16Å; R405-L408 HydrophobicContact CB-CG 4.2Å; R405-L408 HydrophobicContact CG-CD1 4.36Å; R405-L408 PolarHBondContact O-N 2.79Å; R405-L409 PolarHBondContact O-N 3.4Å
406	G	91.6	Very high	91.5	Very high	22 Å²	22	43.3 Å²	43.3	23%	0.227	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.5	173.7	0	0	0	0	0	114.5	L409	G406-L409 CarbonylContact C-O 3.58Å; G406-L409 WeakPolarHBondContact CA-O 3.23Å
407	D	93.2	Very high	91.5	Very high	63 Å²	63	44.6 Å²	44.6	34%	0.337	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.6	169.2	64.6	-52	0	0	0	113	R405 H422	R405-D407 WeakPolarHBondContact CA-OD1 3.33Å; R405-D407 IonicContact CZ-OD1 3.76Å; R405-D407 IonicContact CZ-OD2 3.38Å; R405-D407 IonicContact NE-OD1 3.79Å; R405-D407 PolarHBondContact NE-OD1 3.21Å; R405-D407 IonicContact NE-OD2 3.4Å; R405-D407 PolarHBondContact NE-OD2 3.34Å; R405-D407 IonicContact NH2-OD1 2.71Å; R405-D407 IonicContact NH2-OD2 2.99Å; R405-D407 PolarHBondContact NH2-OD2 3.39Å; R405-D407 PolarHBondContact O-N 3.39Å; R405-D407 VanDerWaalsContact O-N 3.14Å; D407-H422 PolarHBondContact O-CE1 3.13Å; D407-H422 PolarHBondContact O-ND1 2.97Å
408	L	95.4	Very high	91.7	Very high	18 Å²	18	40.8 Å²	40.8	9%	0.094	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-41.4	178.6	-63	-177.2	0	0	0	112.8	Y286 I293 R405 L423 H424	Y286-L408 HydrophobicContact CE2-CD1 4.22Å; I293-L408 HydrophobicContact CD1-CD1 4.47Å; R405-L408 HydrophobicContact CB-CB 4.09Å; R405-L408 HydrophobicContact CB-CD1 4.16Å; R405-L408 HydrophobicContact CB-CG 4.2Å; R405-L408 HydrophobicContact CG-CD1 4.36Å; R405-L408 PolarHBondContact O-N 2.79Å; L408-L423 HydrophobicContact CB-CD1 4.14Å; L408-L423 HydrophobicContact CB-CG 4.21Å; L408-L423 HydrophobicContact CD1-CD1 4.31Å; L408-L423 WeakPolarHBondContact O-CB 3.44Å; L408-L423 PolarHBondContact O-N 2.77Å; L408-H424 PolarHBondContact O-N 3.08Å
409	L	96	Very high	91.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-117.4	152	-177	-59.7	-179.7	0	0	0	110.5	L271 I293 T328 F330 R405 G406 V411 L423 H424	L271-L409 HydrophobicContact CD1-CD2 4.18Å; I293-L409 HydrophobicContact CD1-CD1 3.94Å; I293-L409 HydrophobicContact CD1-CG 4.32Å; I293-L409 HydrophobicContact CG1-CD1 3.8Å; T328-L409 HydrophobicContact CG2-CB 4.34Å; T328-L409 HydrophobicContact CG2-CD1 4.32Å; T328-L409 HydrophobicContact CG2-CD2 4.18Å; F330-L409 HydrophobicContact CB-CD1 3.92Å; R405-L409 PolarHBondContact O-N 3.4Å; G406-L409 CarbonylContact C-O 3.58Å; G406-L409 WeakPolarHBondContact CA-O 3.23Å; L409-V411 PolarHBondContact O-N 3.2Å; L409-L423 HydrophobicContact CD2-CB 4.06Å; L409-L423 HydrophobicContact CD2-CD1 4.39Å; L409-H424 HydrophobicContact CD2-CB 3.67Å
410	D	92.3	Very high	91.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	23%	0.231	C	C	.	.	S	Bend	trans	53.6	30	-174.8	-59.7	-35.9	0	0	0	114.7	G295 G326 S327 T328 E412 H424 W428	G295-D410 VanDerWaalsContact CA-OD2 3.3Å; G295-D410 WeakPolarHBondContact CA-OD2 3.46Å; G326-D410 WeakPolarHBondContact CA-OD2 3.34Å; S327-D410 PolarHBondContact N-OD2 2.67Å; T328-D410 WeakPolarHBondContact CB-OD1 3.34Å; T328-D410 PolarHBondContact N-OD2 3.1Å; T328-D410 PolarHBondContact OG1-OD1 2.97Å; D410-E412 PolarHBondContact O-N 2.92Å; D410-H424 PolarHBondContact N-ND1 2.84Å; D410-H424 IonicContact OD1-CE1 2.82Å; D410-H424 IonicContact OD1-ND1 3.79Å; D410-W428 PolarHBondContact O-NE1 3.28Å
411	V	92.8	Very high	91.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.7	178.5	-179.7	0	0	0	0	109.3	L409 S413 R415 H422 H424 V425 H426 V470	L409-V411 PolarHBondContact O-N 3.2Å; V411-S413 PolarHBondContact O-N 2.03Å; V411-R415 HydrophobicContact CG1-CB 4.18Å; V411-R415 VanDerWaalsContact CG1-CD 3.45Å; V411-R415 HydrophobicContact CG1-CG 4.48Å; V411-H422 HydrophobicContact CG2-CB 4Å; V411-H424 WeakPolarHBondContact CB-O 2.99Å; V411-H424 PolarHBondContact N-O 3.31Å; V411-V425 HydrophobicContact CB-CG2 4.47Å; V411-V425 CarbonylContact O-C 3.17Å; V411-V425 VanDerWaalsContact O-CA 3.25Å; V411-V425 WeakPolarHBondContact O-CA 3.37Å; V411-V425 VanDerWaalsContact O-CG1 3.28Å; V411-V425 WeakPolarHBondContact O-CG1 3.27Å; V411-H426 PolarHBondContact O-N 3.32Å; V411-V470 HydrophobicContact CG1-CG2 4.36Å
412	E	89.9	Confident	92.3	Very high	58 Å²	58	38.3 Å²	38.3	27%	0.271	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.8	-177.6	68.8	-73.3	-175.1	0	0	111.7	D410 C414 R415 W428 V470	D410-E412 PolarHBondContact O-N 2.92Å; E412-C414 PolarHBondContact O-N 2.85Å; E412-R415 HydrophobicContact CG-CB 4.07Å; E412-R415 WeakPolarHBondContact O-CB 3.1Å; E412-R415 PolarHBondContact O-N 2.85Å; E412-R415 WeakPolarHBondContact OE1-CB 3.2Å; E412-R415 VanDerWaalsContact OE1-CD 3.27Å; E412-R415 WeakPolarHBondContact OE1-CD 3.46Å; E412-R415 WeakPolarHBondContact OE1-CG 3.47Å; E412-R415 IonicContact OE1-NE 3.13Å; E412-R415 IonicContact OE1-NH1 3.5Å; E412-R415 IonicContact OE2-NH1 3.28Å; E412-R415 PolarHBondContact OE2-NH1 3.47Å; E412-W428 HydrophobicContact CB-CD2 4.23Å; E412-W428 HydrophobicContact CB-CG 4.39Å; E412-V470 WeakPolarHBondContact O-CG1 2.94Å
413	S	90	Very high	92.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.3	178.8	57.7	0	0	0	0	114.6	V411 H426 R471	V411-S413 PolarHBondContact O-N 2.03Å; S413-H426 PolarHBondContact N-O 3.21Å; S413-H426 VanDerWaalsContact N-O 3.07Å; S413-R471 VanDerWaalsContact O-CA 3.23Å; S413-R471 WeakPolarHBondContact O-CA 3.2Å
414	C	86.4	Confident	92.8	Very high	32 Å²	32	32.6 Å²	32.6	22%	0.216	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.3	-179.8	-49.2	0	0	0	0	113.9	E412 T430 C432	E412-C414 PolarHBondContact O-N 2.85Å; C414-T430 PolarHBondContact SG-OG1 3.48Å; C414-C432 HydrophobicContact CB-CB 3.58Å; C414-C432 WeakPolarHBondContact CB-SG 3.45Å; C414-C432 WeakPolarHBondContact SG-CB 3.4Å; C414-C432 CovalentContact SG-SG 2.03Å; C414-C432 PolarHBondContact SG-SG 3.05Å
415	R	89.2	Confident	92.8	Very high	74 Å²	74	31.1 Å²	31.1	28%	0.279	18%	0.175	S	C	.	.			trans	-65.5	142.9	-171.8	-156.7	170.5	-176.3	144.2	-4.4	112.3	V411 E412 S417 V470 R471	V411-R415 HydrophobicContact CG1-CB 4.18Å; V411-R415 VanDerWaalsContact CG1-CD 3.45Å; V411-R415 HydrophobicContact CG1-CG 4.48Å; E412-R415 HydrophobicContact CG-CB 4.07Å; E412-R415 WeakPolarHBondContact O-CB 3.1Å; E412-R415 PolarHBondContact O-N 2.85Å; E412-R415 WeakPolarHBondContact OE1-CB 3.2Å; E412-R415 VanDerWaalsContact OE1-CD 3.27Å; E412-R415 WeakPolarHBondContact OE1-CD 3.46Å; E412-R415 WeakPolarHBondContact OE1-CG 3.47Å; E412-R415 IonicContact OE1-NE 3.13Å; E412-R415 IonicContact OE1-NH1 3.5Å; E412-R415 IonicContact OE2-NH1 3.28Å; E412-R415 PolarHBondContact OE2-NH1 3.47Å; R415-S417 WeakPolarHBondContact CD-OG 3.4Å; R415-S417 WeakPolarHBondContact CG-OG 3.31Å; R415-S417 PolarHBondContact NE-OG 2.84Å; R415-S417 VanDerWaalsContact NE-OG 3.08Å; R415-V470 HydrophobicContact CB-CB 4.01Å; R415-V470 HydrophobicContact CB-CG1 4.33Å; R415-V470 HydrophobicContact CB-CG2 4.25Å; R415-V470 WeakPolarHBondContact O-CB 2.97Å; R415-V470 PolarHBondContact O-N 3.21Å; R415-R471 PolarHBondContact O-N 2.91Å
416	S	90.3	Very high	92.7	Very high	84 Å²	84	29.4 Å²	29.4	59%	0.587	17%	0.17	S	C	*	.			trans	-89.7	-12.6	178.9	55.4	0	0	0	0	113.8	S469	S416-S469 VanDerWaalsContact O-CB 3.31Å; S416-S469 WeakPolarHBondContact O-CB 3.2Å
417	S	93.5	Very high	92.6	Very high	33 Å²	33	28.3 Å²	28.3	23%	0.231	16%	0.159	C	C	.	.	S	Bend	trans	-68.9	158.6	174.7	48.4	0	0	0	0	111.6	R415 H422 S469 V470	R415-S417 WeakPolarHBondContact CD-OG 3.4Å; R415-S417 WeakPolarHBondContact CG-OG 3.31Å; R415-S417 PolarHBondContact NE-OG 2.84Å; R415-S417 VanDerWaalsContact NE-OG 3.08Å; S417-H422 PolarHBondContact OG-CE1 2.94Å; S417-H422 PolarHBondContact OG-NE2 3.13Å; S417-S469 CarbonylContact O-C 3.55Å; S417-S469 VanDerWaalsContact O-CA 3.31Å; S417-S469 WeakPolarHBondContact O-CA 3.13Å; S417-V470 PolarHBondContact O-N 3.34Å
418	V	93.6	Very high	91.7	Very high	47 Å²	47	29.5 Å²	29.5	29%	0.285	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-70.4	136.3	-175.2	-172.6	0	0	0	0	110.7	S420 N421 H422 N466 M468	V418-S420 VanDerWaalsContact CG1-OG 3.23Å; V418-S420 WeakPolarHBondContact CG1-OG 3.34Å; V418-S420 PolarHBondContact O-N 2.7Å; V418-S420 VanDerWaalsContact O-N 3.16Å; V418-N421 WeakPolarHBondContact O-CB 3.49Å; V418-N421 PolarHBondContact O-N 3.26Å; V418-H422 PolarHBondContact O-CD2 3.04Å; V418-H422 VanDerWaalsContact O-CD2 3.24Å; V418-N466 WeakPolarHBondContact CG1-O 3.49Å; V418-M468 CarbonylContact C-O 3.58Å; V418-M468 WeakPolarHBondContact CA-O 3.49Å
419	I	93.1	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-56.4	-32.3	-177.7	-172.7	60.9	0	0	0	113	S280 N421 H422 V425 V465 M468 V470 Y473	S280-I419 PolarHBondContact OG-O 3.22Å; S280-I419 VanDerWaalsContact OG-O 3.04Å; I419-N421 PolarHBondContact O-N 3.1Å; I419-N421 VanDerWaalsContact O-N 3.11Å; I419-H422 PolarHBondContact O-N 2.91Å; I419-V425 HydrophobicContact CD1-CG2 3.58Å; I419-V465 WeakPolarHBondContact CG2-O 3.44Å; I419-M468 PolarHBondContact N-O 2.92Å; I419-V470 HydrophobicContact CD1-CG2 4.07Å; I419-Y473 HydrophobicContact CB-CD1 4.44Å; I419-Y473 HydrophobicContact CB-CG 4.17Å; I419-Y473 HydrophobicContact CD1-CD1 3.47Å; I419-Y473 VanDerWaalsContact CD1-CD1 3.47Å; I419-Y473 HydrophobicContact CD1-CE1 3.88Å; I419-Y473 HydrophobicContact CD1-CG 4.07Å; I419-Y473 HydrophobicContact CG1-CD1 3.57Å; I419-Y473 HydrophobicContact CG1-CD2 4.21Å; I419-Y473 HydrophobicContact CG1-CE1 3.94Å; I419-Y473 HydrophobicContact CG1-CG 3.72Å; I419-Y473 HydrophobicContact CG2-CD2 4.46Å; I419-Y473 HydrophobicContact CG2-CG 4.41Å
420	S	91	Very high	88.8	Confident	39 Å²	39	38.7 Å²	38.7	27%	0.273	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.5	-13.6	178.6	51.5	0	0	0	0	114.4	T282 V418 H422 N466	T282-S420 VanDerWaalsContact OG1-CA 3.26Å; T282-S420 WeakPolarHBondContact OG1-CA 3.24Å; T282-S420 PolarHBondContact OG1-O 3.04Å; V418-S420 VanDerWaalsContact CG1-OG 3.23Å; V418-S420 WeakPolarHBondContact CG1-OG 3.34Å; V418-S420 PolarHBondContact O-N 2.7Å; V418-S420 VanDerWaalsContact O-N 3.16Å; S420-H422 VanDerWaalsContact C-N 3.33Å; S420-N466 WeakPolarHBondContact CB-O 3.31Å; S420-N466 PolarHBondContact OG-O 3.42Å
421	N	93.8	Very high	87.2	Confident	100 Å²	100	49.7 Å²	49.7	54%	0.535	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-85.4	-4.8	173.8	-66	-25.2	0	0	0	113.7	V418 I419	V418-N421 WeakPolarHBondContact O-CB 3.49Å; V418-N421 PolarHBondContact O-N 3.26Å; I419-N421 PolarHBondContact O-N 3.1Å; I419-N421 VanDerWaalsContact O-N 3.11Å
422	H	95.2	Very high	86.1	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.032	26%	0.259	C	S	.	.			trans	-124.9	155	-171.5	-53.3	-58.6	0	0	0	110.4	S280 T282 D407 V411 S417 V418 I419 S420 V470	S280-H422 WeakPolarHBondContact CB-O 3.11Å; S280-H422 PolarHBondContact OG-O 3.12Å; T282-H422 VanDerWaalsContact CB-O 3.27Å; T282-H422 WeakPolarHBondContact CB-O 3.43Å; T282-H422 PolarHBondContact OG1-O 2.82Å; D407-H422 PolarHBondContact O-CE1 3.13Å; D407-H422 PolarHBondContact O-ND1 2.97Å; V411-H422 HydrophobicContact CG2-CB 4Å; S417-H422 PolarHBondContact OG-CE1 2.94Å; S417-H422 PolarHBondContact OG-NE2 3.13Å; V418-H422 PolarHBondContact O-CD2 3.04Å; V418-H422 VanDerWaalsContact O-CD2 3.24Å; I419-H422 PolarHBondContact O-N 2.91Å; S420-H422 VanDerWaalsContact C-N 3.33Å; H422-V470 WeakPolarHBondContact CD2-CG2 2.94Å
423	L	95.1	Very high	85.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-98.6	-33.7	175.2	-60.6	178.7	0	0	0	111.8	S280 T282 L283 Y286 I293 L408 L409	S280-L423 WeakPolarHBondContact CB-O 3.46Å; S280-L423 PolarHBondContact N-O 3.05Å; T282-L423 HydrophobicContact CG2-CD2 3.67Å; L283-L423 WeakPolarHBondContact CD1-O 3.24Å; L283-L423 HydrophobicContact CD2-CB 4.01Å; L283-L423 HydrophobicContact CD2-CD2 4.23Å; L283-L423 HydrophobicContact CG-CB 4.3Å; L283-L423 HydrophobicContact CG-CD2 4.46Å; Y286-L423 HydrophobicContact CD1-CD1 3.71Å; Y286-L423 HydrophobicContact CD1-CD2 4.3Å; Y286-L423 HydrophobicContact CD2-CD1 3.79Å; Y286-L423 HydrophobicContact CD2-CD2 3.65Å; Y286-L423 HydrophobicContact CD2-CG 4.25Å; Y286-L423 HydrophobicContact CE1-CD1 3.64Å; Y286-L423 HydrophobicContact CE2-CD1 3.74Å; Y286-L423 HydrophobicContact CE2-CD2 4.36Å; Y286-L423 HydrophobicContact CG-CD1 3.78Å; Y286-L423 HydrophobicContact CG-CD2 3.61Å; Y286-L423 HydrophobicContact CG-CG 4.35Å; I293-L423 HydrophobicContact CD1-CD1 4.48Å; L408-L423 HydrophobicContact CB-CD1 4.14Å; L408-L423 HydrophobicContact CB-CG 4.21Å; L408-L423 HydrophobicContact CD1-CD1 4.31Å; L408-L423 WeakPolarHBondContact O-CB 3.44Å; L408-L423 PolarHBondContact O-N 2.77Å; L409-L423 HydrophobicContact CD2-CB 4.06Å; L409-L423 HydrophobicContact CD2-CD1 4.39Å
424	H	96.7	Very high	84.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	132.4	-167	171.9	-81	0	0	0	110.6	T273 V277 T328 L408 L409 D410 V411	T273-H424 PolarHBondContact OG1-NE2 3.21Å; V277-H424 WeakPolarHBondContact CB-NE2 3.48Å; V277-H424 WeakPolarHBondContact CG1-NE2 3.22Å; T328-H424 PolarHBondContact OG1-CE1 3.09Å; L408-H424 PolarHBondContact O-N 3.08Å; L409-H424 HydrophobicContact CD2-CB 3.67Å; D410-H424 PolarHBondContact N-ND1 2.84Å; D410-H424 IonicContact OD1-CE1 2.82Å; D410-H424 IonicContact OD1-ND1 3.79Å; V411-H424 WeakPolarHBondContact CB-O 2.99Å; V411-H424 PolarHBondContact N-O 3.31Å
425	V	95.3	Very high	84.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.3	-179.4	-178.5	0	0	0	0	109	V277 F278 V411 I419 V470	V277-V425 CarbonylContact C-O 3.59Å; V277-V425 WeakPolarHBondContact CA-O 3.41Å; V277-V425 WeakPolarHBondContact CB-O 3.44Å; F278-V425 HydrophobicContact CB-CB 4.29Å; F278-V425 PolarHBondContact N-O 3.41Å; F278-V425 PolarHBondContact O-N 3.23Å; V411-V425 HydrophobicContact CB-CG2 4.47Å; V411-V425 CarbonylContact O-C 3.17Å; V411-V425 VanDerWaalsContact O-CA 3.25Å; V411-V425 WeakPolarHBondContact O-CA 3.37Å; V411-V425 VanDerWaalsContact O-CG1 3.28Å; V411-V425 WeakPolarHBondContact O-CG1 3.27Å; I419-V425 HydrophobicContact CD1-CG2 3.58Å; V425-V470 HydrophobicContact CB-CG1 4.29Å; V425-V470 HydrophobicContact CG1-CG1 3.52Å; V425-V470 HydrophobicContact CG2-CG1 3.71Å; V425-V470 HydrophobicContact CG2-CG2 4.39Å
426	H	92.5	Very high	84.1	Confident	32 Å²	32	51.2 Å²	51.2	15%	0.148	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.6	177.1	-175	-140.2	0	0	0	110.5	D274 D276 V277 V411 S413 W428	D274-H426 IonicContact OD2-NE2 3.66Å; D276-H426 IonicContact OD1-CD2 3.66Å; D276-H426 IonicContact OD1-NE2 3.47Å; D276-H426 PolarHBondContact OD1-NE2 2.98Å; D276-H426 IonicContact OD2-NE2 3.65Å; V277-H426 HydrophobicContact CG1-CB 4.4Å; V411-H426 PolarHBondContact O-N 3.32Å; S413-H426 PolarHBondContact N-O 3.21Å; S413-H426 VanDerWaalsContact N-O 3.07Å; H426-W428 AromaticContact CG-CD1 3.84Å; H426-W428 AromaticContact ND1-CD1 3.38Å; H426-W428 AromaticContact ND1-NE1 3.43Å; H426-W428 PolarHBondContact ND1-NE1 3.36Å; H426-W428 PolarHBondContact O-N 3.38Å; H426-W428 VanDerWaalsContact O-N 3.17Å
427	T	88.6	Confident	83.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.			trans	-88.1	85.7	-176.5	62.5	0	0	0	0	111.5	F173 D276 F278 F434 K436	F173-T427 HydrophobicContact CD2-CG2 4.39Å; D276-T427 WeakPolarHBondContact CB-OG1 3.24Å; D276-T427 WeakPolarHBondContact O-CB 3.23Å; D276-T427 WeakPolarHBondContact O-CG2 3.18Å; D276-T427 PolarHBondContact O-N 2.89Å; D276-T427 PolarHBondContact O-OG1 3.02Å; D276-T427 PolarHBondContact OD2-OG1 3Å; F278-T427 HydrophobicContact CD2-CG2 3.92Å; F278-T427 HydrophobicContact CE2-CG2 3.48Å; F278-T427 VanDerWaalsContact CE2-CG2 3.48Å; T427-F434 HydrophobicContact CG2-CD1 4.3Å; T427-F434 HydrophobicContact CG2-CE1 3.71Å; T427-K436 WeakPolarHBondContact O-CD 3.47Å; T427-K436 PolarHBondContact O-NZ 3.25Å; T427-K436 WeakPolarHBondContact OG1-CD 3.28Å
428	W	74.8	Confident	83	Confident	88 Å²	88	55.8 Å²	55.8	33%	0.333	27%	0.265	S	S	.	.			trans	-67.4	157.3	-177.4	-71.9	27.9	0	0	0	112.2	A298 D410 E412 H426 T430	A298-W428 HydrophobicContact CB-CH2 3.99Å; A298-W428 HydrophobicContact CB-CZ3 4.18Å; D410-W428 PolarHBondContact O-NE1 3.28Å; E412-W428 HydrophobicContact CB-CD2 4.23Å; E412-W428 HydrophobicContact CB-CG 4.39Å; H426-W428 AromaticContact CG-CD1 3.84Å; H426-W428 AromaticContact ND1-CD1 3.38Å; H426-W428 AromaticContact ND1-NE1 3.43Å; H426-W428 PolarHBondContact ND1-NE1 3.36Å; H426-W428 PolarHBondContact O-N 3.38Å; H426-W428 VanDerWaalsContact O-N 3.17Å; W428-T430 PolarHBondContact O-N 3.01Å
429	H	67.4	Low	82.5	Confident	143 Å²	143	53.8 Å²	53.8	66%	0.662	25%	0.252	S	S	*	.	S	Bend	trans	-78.4	56.5	-177.5	-63.6	-168.8	0	0	0	112	K436 F437	H429-K436 VanDerWaalsContact CD2-CE 3.47Å; H429-K436 WeakPolarHBondContact CD2-CE 3.38Å; H429-K436 PolarHBondContact CD2-NZ 3.4Å; H429-K436 PolarHBondContact NE2-NZ 2.93Å; H429-F437 HydrophobicContact CB-CE2 4.07Å; H429-F437 AromaticContact CD2-CE2 3.91Å; H429-F437 AromaticContact CD2-CZ 3.79Å; H429-F437 AromaticContact CE1-CZ 3.92Å; H429-F437 AromaticContact CG-CE2 3.82Å; H429-F437 AromaticContact CG-CZ 3.9Å; H429-F437 AromaticContact ND1-CZ 3.98Å; H429-F437 AromaticContact NE2-CZ 3.8Å
430	T	63.7	Low	81.9	Confident	67 Å²	67	54.3 Å²	54.3	41%	0.411	26%	0.255	S	S	.	.	S	Bend	trans	-127.9	137.5	-179	52.2	0	0	0	0	110.5	C414 W428 C432	C414-T430 PolarHBondContact SG-OG1 3.48Å; W428-T430 PolarHBondContact O-N 3.01Å; T430-C432 PolarHBondContact O-N 2.83Å
431	R	59.5	Low	81.1	Confident	239 Å²	239	55.7 Å²	55.7	90%	0.902	26%	0.259	S	S	*	.			trans	-65.4	114.3	171.1	-70.3	-175.1	179.9	176.5	0.7	109.3
432	C	69	Low	79.9	Confident	38 Å²	38	54.1 Å²	54.1	26%	0.257	25%	0.249	S	C	.	.	S	Bend	trans	-150.7	-173.4	172.4	70.4	0	0	0	0	111	C414 T430 F434	C414-C432 HydrophobicContact CB-CB 3.58Å; C414-C432 WeakPolarHBondContact CB-SG 3.45Å; C414-C432 WeakPolarHBondContact SG-CB 3.4Å; C414-C432 CovalentContact SG-SG 2.03Å; C414-C432 PolarHBondContact SG-SG 3.05Å; T430-C432 PolarHBondContact O-N 2.83Å; C432-F434 PolarHBondContact O-N 3.05Å; C432-F434 PolarHBondContact SG-O 3.18Å
433	Q	69.2	Low	78.6	Confident	117 Å²	117	54.1 Å²	54.1	55%	0.547	25%	0.249	S	C	.	.	S	Bend	trans	-55.9	-34.7	-176.2	-174.5	177.7	10.1	0	0	113
434	F	79.6	Confident	77.2	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.035	26%	0.26	C	S	.	.	S	Bend	trans	-109.3	100.8	164.9	-177.7	-99.9	0	0	0	109.3	F173 F278 T427 C432 K436 F439 C474 A478	F173-F434 HydrophobicContact CD1-CZ 4.24Å; F173-F434 HydrophobicContact CE1-CE1 4.46Å; F173-F434 HydrophobicContact CE1-CE2 4.36Å; F173-F434 AromaticContact CE1-CZ 3.56Å; F173-F434 HydrophobicContact CE1-CZ 3.56Å; F173-F434 HydrophobicContact CE2-CZ 4.38Å; F173-F434 HydrophobicContact CZ-CE1 4.28Å; F173-F434 AromaticContact CZ-CZ 3.65Å; F173-F434 HydrophobicContact CZ-CZ 3.65Å; F278-F434 HydrophobicContact CE2-CD1 4.32Å; F278-F434 AromaticContact CE2-CE1 3.72Å; F278-F434 HydrophobicContact CE2-CE1 3.72Å; F278-F434 HydrophobicContact CE2-CZ 4.07Å; F278-F434 AromaticContact CZ-CE1 3.92Å; F278-F434 HydrophobicContact CZ-CE1 3.92Å; F278-F434 HydrophobicContact CZ-CE2 4.4Å; F278-F434 AromaticContact CZ-CZ 3.77Å; F278-F434 HydrophobicContact CZ-CZ 3.77Å; T427-F434 HydrophobicContact CG2-CD1 4.3Å; T427-F434 HydrophobicContact CG2-CE1 3.71Å; C432-F434 PolarHBondContact O-N 3.05Å; C432-F434 PolarHBondContact SG-O 3.18Å; F434-K436 HydrophobicContact CE1-CB 4.27Å; F434-F439 HydrophobicContact CE2-CB 4.19Å; F434-F439 HydrophobicContact CE2-CD2 4.43Å; F434-F439 HydrophobicContact CE2-CG 4.32Å; F434-F439 HydrophobicContact CZ-CB 4.37Å; F434-C474 HydrophobicContact CB-CB 4.09Å; F434-C474 HydrophobicContact CD1-CB 3.85Å; F434-C474 HydrophobicContact CD2-CB 4.34Å; F434-C474 HydrophobicContact CE1-CB 4.44Å; F434-C474 HydrophobicContact CG-CB 3.79Å; F434-A478 HydrophobicContact CD2-CB 4.46Å; F434-A478 HydrophobicContact CE2-CB 3.48Å; F434-A478 VanDerWaalsContact CE2-CB 3.48Å; F434-A478 HydrophobicContact CZ-CB 3.94Å
435	D	80.4	Confident	75.1	Confident	26 Å²	26	61.6 Å²	61.6	14%	0.139	29%	0.288	C	S	.	.			trans	-100.6	115.9	172	-174.6	-46.2	0	0	0	108.8	F437 E438 F439	D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.12Å; D435-F437 WeakPolarHBondContact OD1-CA 3.38Å; D435-F437 WeakPolarHBondContact OD1-CB 3.49Å; D435-F437 PolarHBondContact OD1-N 3.11Å; D435-E438 HydrophobicContact CB-CB 3.78Å; D435-E438 PolarHBondContact O-N 3.02Å; D435-E438 PolarHBondContact OD1-N 3.38Å; D435-F439 PolarHBondContact O-N 3.31Å
436	K	83.2	Confident	72.8	Confident	7 Å²	7	63.5 Å²	63.5	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-35.9	-178.4	81.4	-176.3	-177	-169.9	0	111.9	F173 D276 T427 H429 F434 F439 L440	F173-K436 HydrophobicContact CE2-CB 4.22Å; F173-K436 HydrophobicContact CZ-CB 4.38Å; D276-K436 IonicContact OD2-NZ 3.28Å; D276-K436 PolarHBondContact OD2-NZ 3.13Å; T427-K436 WeakPolarHBondContact O-CD 3.47Å; T427-K436 PolarHBondContact O-NZ 3.25Å; T427-K436 WeakPolarHBondContact OG1-CD 3.28Å; H429-K436 VanDerWaalsContact CD2-CE 3.47Å; H429-K436 WeakPolarHBondContact CD2-CE 3.38Å; H429-K436 PolarHBondContact CD2-NZ 3.4Å; H429-K436 PolarHBondContact NE2-NZ 2.93Å; F434-K436 HydrophobicContact CE1-CB 4.27Å; K436-F439 PolarHBondContact O-N 3.07Å; K436-L440 VanDerWaalsContact O-CB 3.25Å; K436-L440 WeakPolarHBondContact O-CB 3.27Å; K436-L440 WeakPolarHBondContact O-CG 3.38Å; K436-L440 PolarHBondContact O-N 2.77Å
437	F	82.2	Confident	70.6	Confident	102 Å²	102	63.6 Å²	63.6	45%	0.447	31%	0.308	S	S	.	.	H	α-helix	trans	-72.2	-37.2	179.9	-61.3	-67.1	0	0	0	110	H429 D435 N441	H429-F437 HydrophobicContact CB-CE2 4.07Å; H429-F437 AromaticContact CD2-CE2 3.91Å; H429-F437 AromaticContact CD2-CZ 3.79Å; H429-F437 AromaticContact CE1-CZ 3.92Å; H429-F437 AromaticContact CG-CE2 3.82Å; H429-F437 AromaticContact CG-CZ 3.9Å; H429-F437 AromaticContact ND1-CZ 3.98Å; H429-F437 AromaticContact NE2-CZ 3.8Å; D435-F437 VanDerWaalsContact C-N 3.28Å; D435-F437 PolarHBondContact O-N 3.12Å; D435-F437 WeakPolarHBondContact OD1-CA 3.38Å; D435-F437 WeakPolarHBondContact OD1-CB 3.49Å; D435-F437 PolarHBondContact OD1-N 3.11Å; F437-N441 WeakPolarHBondContact O-CA 3.21Å; F437-N441 WeakPolarHBondContact O-CB 3.41Å; F437-N441 PolarHBondContact O-N 3.04Å
438	E	79.4	Confident	68.5	Low	111 Å²	111	67 Å²	67	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-46.7	171.5	-163.1	-172.1	152.8	0	0	111.2	D435 N441 Q442	D435-E438 HydrophobicContact CB-CB 3.78Å; D435-E438 PolarHBondContact O-N 3.02Å; D435-E438 PolarHBondContact OD1-N 3.38Å; E438-N441 PolarHBondContact O-N 3Å; E438-Q442 WeakPolarHBondContact O-CB 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.49Å; E438-Q442 PolarHBondContact O-N 2.69Å; E438-Q442 PolarHBondContact OE1-NE2 2.7Å; E438-Q442 VanDerWaalsContact OE1-NE2 3.16Å
439	F	83.8	Confident	66.9	Low	5 Å²	5	70.2 Å²	70.2	2%	0.022	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-52.4	176.1	177.2	-91.9	0	0	0	111.8	A172 F173 F434 D435 K436 N441 Q442 V443 A478 L482	A172-F439 HydrophobicContact CB-CE1 3.79Å; A172-F439 HydrophobicContact CB-CZ 3.74Å; F173-F439 AromaticContact CE1-CD1 3.47Å; F173-F439 HydrophobicContact CE1-CD1 3.47Å; F173-F439 VanDerWaalsContact CE1-CD1 3.47Å; F173-F439 AromaticContact CE1-CE1 3.49Å; F173-F439 HydrophobicContact CE1-CE1 3.49Å; F173-F439 VanDerWaalsContact CE1-CE1 3.49Å; F173-F439 HydrophobicContact CE1-CG 4.18Å; F173-F439 HydrophobicContact CE1-CZ 4.21Å; F173-F439 AromaticContact CZ-CD1 3.54Å; F173-F439 HydrophobicContact CZ-CD1 3.54Å; F173-F439 AromaticContact CZ-CE1 3.96Å; F173-F439 HydrophobicContact CZ-CE1 3.96Å; F173-F439 HydrophobicContact CZ-CG 4.32Å; F434-F439 HydrophobicContact CE2-CB 4.19Å; F434-F439 HydrophobicContact CE2-CD2 4.43Å; F434-F439 HydrophobicContact CE2-CG 4.32Å; F434-F439 HydrophobicContact CZ-CB 4.37Å; D435-F439 PolarHBondContact O-N 3.31Å; K436-F439 PolarHBondContact O-N 3.07Å; F439-N441 VanDerWaalsContact C-N 3.27Å; F439-N441 PolarHBondContact O-N 3.11Å; F439-Q442 WeakPolarHBondContact O-CA 3.29Å; F439-Q442 WeakPolarHBondContact O-CB 3.24Å; F439-Q442 PolarHBondContact O-N 2.98Å; F439-Q442 VanDerWaalsContact O-N 3.08Å; F439-V443 HydrophobicContact CD1-CG2 4.21Å; F439-V443 HydrophobicContact CE1-CG2 3.78Å; F439-V443 HydrophobicContact CE2-CG2 4.31Å; F439-V443 HydrophobicContact CZ-CG2 3.84Å; F439-V443 WeakPolarHBondContact O-CG2 3.38Å; F439-V443 PolarHBondContact O-N 3.02Å; F439-A478 HydrophobicContact CD2-CB 4.03Å; F439-A478 HydrophobicContact CE2-CB 3.72Å; F439-A478 WeakPolarHBondContact CE2-O 3.37Å; F439-A478 HydrophobicContact CZ-CB 4Å; F439-A478 WeakPolarHBondContact CZ-O 3.34Å; F439-L482 HydrophobicContact CE2-CD1 3.92Å; F439-L482 HydrophobicContact CE2-CD2 4.18Å; F439-L482 HydrophobicContact CE2-CG 4.06Å; F439-L482 HydrophobicContact CZ-CD1 4.44Å; F439-L482 HydrophobicContact CZ-CD2 3.85Å; F439-L482 HydrophobicContact CZ-CG 4.16Å
440	L	79.5	Confident	66	Low	11 Å²	11	70.3 Å²	70.3	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-36	179.5	-69.9	172.6	0	0	0	111.2	E165 A168 E169 K436 V443 S444	E165-L440 HydrophobicContact CB-CD1 4.48Å; A168-L440 HydrophobicContact CB-CD2 3.71Å; E169-L440 HydrophobicContact CG-CD1 4.07Å; E169-L440 HydrophobicContact CG-CD2 4.11Å; E169-L440 WeakPolarHBondContact OE1-CD1 3.39Å; K436-L440 VanDerWaalsContact O-CB 3.25Å; K436-L440 WeakPolarHBondContact O-CB 3.27Å; K436-L440 WeakPolarHBondContact O-CG 3.38Å; K436-L440 PolarHBondContact O-N 2.77Å; L440-V443 PolarHBondContact O-N 3.39Å; L440-S444 WeakPolarHBondContact O-CB 3.41Å; L440-S444 PolarHBondContact O-N 2.99Å; L440-S444 PolarHBondContact O-OG 3.47Å
441	N	73.7	Confident	65.4	Low	69 Å²	69	68.1 Å²	68.1	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-39.5	173.7	-167.1	50.2	0	0	0	111.7	F437 E438 F439 V443 Q445 G446	F437-N441 WeakPolarHBondContact O-CA 3.21Å; F437-N441 WeakPolarHBondContact O-CB 3.41Å; F437-N441 PolarHBondContact O-N 3.04Å; E438-N441 PolarHBondContact O-N 3Å; F439-N441 VanDerWaalsContact C-N 3.27Å; F439-N441 PolarHBondContact O-N 3.11Å; N441-V443 VanDerWaalsContact C-N 3.35Å; N441-Q445 WeakPolarHBondContact O-CA 3.43Å; N441-Q445 PolarHBondContact O-N 2.75Å; N441-Q445 VanDerWaalsContact OD1-CB 3.24Å; N441-Q445 WeakPolarHBondContact OD1-CB 3.3Å; N441-Q445 WeakPolarHBondContact OD1-CG 3.4Å; N441-Q445 PolarHBondContact OD1-NE2 3.39Å; N441-Q445 PolarHBondContact OD1-OE1 3.24Å; N441-G446 PolarHBondContact O-N 2.86Å
442	Q	70.1	Confident	65.2	Low	66 Å²	66	59.4 Å²	59.4	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-46.9	172.6	-73.8	169.1	19	0	0	110.6	E438 F439 G446 Q447	E438-Q442 WeakPolarHBondContact O-CB 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.49Å; E438-Q442 PolarHBondContact O-N 2.69Å; E438-Q442 PolarHBondContact OE1-NE2 2.7Å; E438-Q442 VanDerWaalsContact OE1-NE2 3.16Å; F439-Q442 WeakPolarHBondContact O-CA 3.29Å; F439-Q442 WeakPolarHBondContact O-CB 3.24Å; F439-Q442 PolarHBondContact O-N 2.98Å; F439-Q442 VanDerWaalsContact O-N 3.08Å; Q442-G446 CarbonylContact O-C 3.51Å; Q442-G446 WeakPolarHBondContact O-CA 3.43Å; Q442-G446 PolarHBondContact O-N 3.03Å; Q442-Q447 WeakPolarHBondContact O-CB 3.37Å; Q442-Q447 WeakPolarHBondContact O-CG 3.34Å; Q442-Q447 PolarHBondContact O-N 3.16Å
443	V	68.1	Low	64.9	Low	7 Å²	7	58.1 Å²	58.1	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-69.4	-46.4	179.4	-174	0	0	0	0	111.4	F164 F439 L440 N441 L448 L482	F164-V443 HydrophobicContact CE1-CB 4.39Å; F164-V443 HydrophobicContact CE1-CG1 3.64Å; F164-V443 HydrophobicContact CZ-CG1 3.67Å; F439-V443 HydrophobicContact CD1-CG2 4.21Å; F439-V443 HydrophobicContact CE1-CG2 3.78Å; F439-V443 HydrophobicContact CE2-CG2 4.31Å; F439-V443 HydrophobicContact CZ-CG2 3.84Å; F439-V443 WeakPolarHBondContact O-CG2 3.38Å; F439-V443 PolarHBondContact O-N 3.02Å; L440-V443 PolarHBondContact O-N 3.39Å; N441-V443 VanDerWaalsContact C-N 3.35Å; V443-L448 HydrophobicContact CG1-CD1 4.35Å; V443-L448 VanDerWaalsContact O-CD1 3.31Å; V443-L448 WeakPolarHBondContact O-CD1 3.1Å; V443-L448 WeakPolarHBondContact O-CG 3.49Å; V443-L482 HydrophobicContact CG2-CD2 3.75Å
444	S	63.9	Low	64.7	Low	32 Å²	32	54.7 Å²	54.7	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-81.6	-54.4	-173	63.2	0	0	0	0	114.9	L440	L440-S444 WeakPolarHBondContact O-CB 3.41Å; L440-S444 PolarHBondContact O-N 2.99Å; L440-S444 PolarHBondContact O-OG 3.47Å
445	Q	53.8	Low	64.3	Low	126 Å²	126	54.4 Å²	54.4	59%	0.589	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-39.5	-177.3	-62.1	-170.8	5.2	0	0	112.3	N441 Q447	N441-Q445 WeakPolarHBondContact O-CA 3.43Å; N441-Q445 PolarHBondContact O-N 2.75Å; N441-Q445 VanDerWaalsContact OD1-CB 3.24Å; N441-Q445 WeakPolarHBondContact OD1-CB 3.3Å; N441-Q445 WeakPolarHBondContact OD1-CG 3.4Å; N441-Q445 PolarHBondContact OD1-NE2 3.39Å; N441-Q445 PolarHBondContact OD1-OE1 3.24Å; Q445-Q447 PolarHBondContact O-N 3.14Å
446	G	46.7	Very low	64	Low	39 Å²	39	57.9 Å²	57.9	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.6	-165.8	0	0	0	0	0	115.2	N441 Q442	N441-G446 PolarHBondContact O-N 2.86Å; Q442-G446 CarbonylContact O-C 3.51Å; Q442-G446 WeakPolarHBondContact O-CA 3.43Å; Q442-G446 PolarHBondContact O-N 3.03Å
447	Q	46.9	Very low	63.3	Low	35 Å²	35	58 Å²	58	16%	0.164	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139	-45.4	-162.8	-66.6	-62.5	-55.3	0	0	111.9	Q442 Q445 Q449 G451 M452 L453 L811	Q442-Q447 WeakPolarHBondContact O-CB 3.37Å; Q442-Q447 WeakPolarHBondContact O-CG 3.34Å; Q442-Q447 PolarHBondContact O-N 3.16Å; Q445-Q447 PolarHBondContact O-N 3.14Å; Q447-Q449 PolarHBondContact O-N 3.35Å; Q447-G451 PolarHBondContact O-N 3.27Å; Q447-G451 VanDerWaalsContact O-N 3.14Å; Q447-M452 CarbonylContact C-O 3.56Å; Q447-M452 WeakPolarHBondContact CA-O 3.29Å; Q447-M452 WeakPolarHBondContact CB-O 3.14Å; Q447-M452 PolarHBondContact O-N 2.93Å; Q447-M452 VanDerWaalsContact O-N 3.08Å; Q447-M452 PolarHBondContact OE1-O 3.45Å; Q447-L453 HydrophobicContact CB-CD1 4.26Å; Q447-L453 HydrophobicContact CG-CD1 4.37Å; Q447-L453 VanDerWaalsContact OE1-N 3.11Å; Q447-L811 HydrophobicContact CB-CD1 4.48Å; Q447-L811 WeakPolarHBondContact O-CD1 3.18Å
448	L	44.3	Very low	63.1	Low	70 Å²	70	59.4 Å²	59.4	37%	0.366	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.8	178.4	-81.8	164.9	0	0	0	114.3	F164 V443 L811	F164-L448 HydrophobicContact CE1-CD1 3.91Å; F164-L448 HydrophobicContact CE2-CD1 3.96Å; F164-L448 HydrophobicContact CZ-CD1 3.39Å; V443-L448 HydrophobicContact CG1-CD1 4.35Å; V443-L448 VanDerWaalsContact O-CD1 3.31Å; V443-L448 WeakPolarHBondContact O-CD1 3.1Å; V443-L448 WeakPolarHBondContact O-CG 3.49Å; L448-L811 HydrophobicContact CD2-CD1 3.87Å; L448-L811 HydrophobicContact CG-CD1 4.13Å
449	Q	41.6	Very low	63.2	Low	156 Å²	156	55.4 Å²	55.4	73%	0.729	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-32.7	-179	-79.1	-169	-8.8	0	0	114.2	Q447	Q447-Q449 PolarHBondContact O-N 3.35Å
450	N	47.6	Very low	62.8	Low	146 Å²	146	55.2 Å²	55.2	78%	0.781	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	7.8	178.6	-70.2	-21.3	0	0	0	113	M452	N450-M452 VanDerWaalsContact C-N 3.31Å; N450-M452 PolarHBondContact O-N 3.35Å
451	G	51.1	Low	62.5	Low	21 Å²	21	59.2 Å²	59.2	22%	0.216	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	37.6	177.6	0	0	0	0	0	113	Q447 K810 L811	Q447-G451 PolarHBondContact O-N 3.27Å; Q447-G451 VanDerWaalsContact O-N 3.14Å; G451-K810 CarbonylContact O-C 3.54Å; G451-K810 VanDerWaalsContact O-C 3.23Å; G451-K810 WeakPolarHBondContact O-CA 3.15Å; G451-L811 PolarHBondContact O-N 3.03Å
452	M	55.3	Low	62.7	Low	55 Å²	55	61.1 Å²	61.1	27%	0.271	31%	0.306	S	S	.	.			trans	-128.2	147.9	172.2	-63.7	-134.4	-56.6	0	0	110.6	Q447 N450 L808 M809 K810 L811	Q447-M452 CarbonylContact C-O 3.56Å; Q447-M452 WeakPolarHBondContact CA-O 3.29Å; Q447-M452 WeakPolarHBondContact CB-O 3.14Å; Q447-M452 PolarHBondContact O-N 2.93Å; Q447-M452 VanDerWaalsContact O-N 3.08Å; Q447-M452 PolarHBondContact OE1-O 3.45Å; N450-M452 VanDerWaalsContact C-N 3.31Å; N450-M452 PolarHBondContact O-N 3.35Å; M452-L808 HydrophobicContact CE-CD1 3.87Å; M452-L808 HydrophobicContact CE-CD2 3.51Å; M452-L808 HydrophobicContact CE-CG 3.75Å; M452-L808 HydrophobicContact SD-CD2 3.7Å; M452-L808 HydrophobicContact SD-CG 4.21Å; M452-M809 CarbonylContact C-O 3.49Å; M452-M809 WeakPolarHBondContact CA-O 3.33Å; M452-K810 HydrophobicContact CG-CG 3.99Å; M452-K810 HydrophobicContact SD-CD 4.49Å; M452-K810 HydrophobicContact SD-CG 3.63Å; M452-L811 VanDerWaalsContact O-CD1 3.3Å; M452-L811 WeakPolarHBondContact O-CD1 3.38Å
453	L	63.2	Low	63.2	Low	12 Å²	12	62.4 Å²	62.4	6%	0.063	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.2	173.2	-172.6	65.5	0	0	0	108.7	Q447 V455 L482 M809 L811 F837	Q447-L453 HydrophobicContact CB-CD1 4.26Å; Q447-L453 HydrophobicContact CG-CD1 4.37Å; Q447-L453 VanDerWaalsContact OE1-N 3.11Å; L453-V455 HydrophobicContact CD1-CG1 4.38Å; L453-V455 HydrophobicContact CD2-CG1 4.14Å; L453-V455 HydrophobicContact CG-CG1 3.9Å; L453-L482 HydrophobicContact CD1-CD1 4.44Å; L453-L482 HydrophobicContact CD2-CB 4.39Å; L453-M809 HydrophobicContact CD2-CE 4.13Å; L453-M809 PolarHBondContact N-O 3.14Å; L453-M809 PolarHBondContact O-N 3.35Å; L453-L811 HydrophobicContact CB-CD1 4.35Å; L453-L811 HydrophobicContact CB-CD2 3.79Å; L453-L811 HydrophobicContact CB-CG 3.83Å; L453-L811 HydrophobicContact CD2-CD2 4.26Å; L453-F837 HydrophobicContact CB-CE1 4.43Å; L453-F837 HydrophobicContact CD2-CE1 4.36Å
454	V	63.5	Low	64	Low	45 Å²	45	66.7 Å²	66.7	27%	0.273	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.7	178.9	-179.9	0	0	0	0	107.4	M806 L808	V454-M806 HydrophobicContact CG1-SD 4.13Å; V454-L808 HydrophobicContact CG2-CD1 3.8Å; V454-L808 HydrophobicContact CG2-CG 4.38Å
455	V	72.3	Confident	65.1	Low	1 Å²	1	65.2 Å²	65.2	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148	-176	-74.1	0	0	0	0	109.6	L453 L482 F483 L807 M809	L453-V455 HydrophobicContact CD1-CG1 4.38Å; L453-V455 HydrophobicContact CD2-CG1 4.14Å; L453-V455 HydrophobicContact CG-CG1 3.9Å; V455-L482 HydrophobicContact CG1-CB 3.97Å; V455-L482 HydrophobicContact CG1-CD1 4Å; V455-F483 HydrophobicContact CB-CE1 4.04Å; V455-F483 HydrophobicContact CB-CE2 3.75Å; V455-F483 HydrophobicContact CB-CZ 3.41Å; V455-F483 VanDerWaalsContact CB-CZ 3.41Å; V455-F483 HydrophobicContact CG1-CE2 4.24Å; V455-F483 HydrophobicContact CG1-CZ 4.27Å; V455-F483 HydrophobicContact CG2-CD1 4.28Å; V455-F483 HydrophobicContact CG2-CE1 3.38Å; V455-F483 HydrophobicContact CG2-CE2 4.06Å; V455-F483 HydrophobicContact CG2-CZ 3.25Å; V455-L807 PolarHBondContact N-O 2.92Å; V455-L807 PolarHBondContact O-N 3.45Å; V455-M809 HydrophobicContact CG2-CE 3.47Å; V455-M809 VanDerWaalsContact CG2-CE 3.47Å
456	K	74.9	Confident	66.4	Low	99 Å²	99	60.3 Å²	60.3	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.2	174.4	-60.5	178.3	-176.9	170.5	0	108.3	K458 Y459 G805 M806	K456-K458 HydrophobicContact CB-CG 4.2Å; K456-K458 PolarHBondContact O-N 2.89Å; K456-Y459 HydrophobicContact CB-CD2 3.79Å; K456-Y459 HydrophobicContact CB-CE2 4.02Å; K456-Y459 HydrophobicContact CD-CE2 4.05Å; K456-Y459 PolarHBondContact O-N 3.29Å; K456-G805 WeakPolarHBondContact CA-O 3.28Å; K456-M806 HydrophobicContact CG-CG 4.39Å
457	L	68.3	Low	68.4	Low	11 Å²	11	65.5 Å²	65.5	6%	0.058	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-56.2	-27.5	-175.8	-84	153.3	0	0	0	113.4	Y459 A460 L802 G805 L807 A844	L457-Y459 PolarHBondContact O-N 3.15Å; L457-Y459 VanDerWaalsContact O-N 3.1Å; L457-A460 VanDerWaalsContact O-CB 3.22Å; L457-A460 WeakPolarHBondContact O-CB 3.44Å; L457-A460 PolarHBondContact O-N 3.43Å; L457-L802 HydrophobicContact CD1-CD2 3.32Å; L457-L802 HydrophobicContact CD1-CG 3.86Å; L457-G805 PolarHBondContact N-O 3.39Å; L457-L807 HydrophobicContact CD1-CB 3.87Å; L457-L807 HydrophobicContact CD2-CB 4.33Å; L457-L807 HydrophobicContact CD2-CD2 4.2Å; L457-L807 HydrophobicContact CG-CB 3.91Å; L457-A844 HydrophobicContact CB-CB 4.44Å; L457-A844 HydrophobicContact CD2-CB 3.89Å
458	K	77	Confident	70.5	Confident	130 Å²	130	65 Å²	65	57%	0.565	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-59.1	-20.8	174.7	71.8	177.4	-173.1	170.7	0	114.2	K456	K456-K458 HydrophobicContact CB-CG 4.2Å; K456-K458 PolarHBondContact O-N 2.89Å
459	Y	82.6	Confident	72.9	Confident	27 Å²	27	62 Å²	62	11%	0.106	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-95.8	-5.2	175.7	-58	-61.7	0	0	0	113.2	K456 L457 K461 T475 H476 Q479 H480	K456-Y459 HydrophobicContact CB-CD2 3.79Å; K456-Y459 HydrophobicContact CB-CE2 4.02Å; K456-Y459 HydrophobicContact CD-CE2 4.05Å; K456-Y459 PolarHBondContact O-N 3.29Å; L457-Y459 PolarHBondContact O-N 3.15Å; L457-Y459 VanDerWaalsContact O-N 3.1Å; Y459-K461 PolarHBondContact O-N 3.07Å; Y459-T475 HydrophobicContact CE1-CG2 4.21Å; Y459-T475 HydrophobicContact CE2-CG2 4.42Å; Y459-T475 WeakPolarHBondContact OH-CG2 3.19Å; Y459-H476 HydrophobicContact CD1-CB 4.4Å; Y459-H476 AromaticContact CD1-ND1 3.82Å; Y459-H476 HydrophobicContact CE1-CB 4.49Å; Y459-Q479 HydrophobicContact CD1-CB 4.13Å; Y459-Q479 HydrophobicContact CD2-CB 3.41Å; Y459-Q479 VanDerWaalsContact CD2-CB 3.41Å; Y459-Q479 HydrophobicContact CD2-CG 3.69Å; Y459-Q479 HydrophobicContact CE2-CB 4.06Å; Y459-Q479 HydrophobicContact CE2-CG 3.84Å; Y459-Q479 HydrophobicContact CG-CB 3.47Å; Y459-Q479 VanDerWaalsContact CG-CB 3.47Å; Y459-Q479 HydrophobicContact CG-CG 4.19Å; Y459-H480 WeakPolarHBondContact O-CA 3.23Å; Y459-H480 WeakPolarHBondContact O-CB 3.26Å; Y459-H480 PolarHBondContact O-ND1 3.35Å
460	A	75.5	Confident	75.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.5	174.3	0	0	0	0	0	111.1	L457 H480 F483 A840 E841	L457-A460 VanDerWaalsContact O-CB 3.22Å; L457-A460 WeakPolarHBondContact O-CB 3.44Å; L457-A460 PolarHBondContact O-N 3.43Å; A460-H480 PolarHBondContact O-CE1 2.92Å; A460-H480 VanDerWaalsContact O-CE1 3.25Å; A460-H480 PolarHBondContact O-ND1 3.47Å; A460-F483 HydrophobicContact CB-CD1 3.92Å; A460-F483 HydrophobicContact CB-CD2 4.18Å; A460-F483 HydrophobicContact CB-CE1 3.68Å; A460-F483 HydrophobicContact CB-CE2 3.96Å; A460-F483 HydrophobicContact CB-CG 4.14Å; A460-F483 HydrophobicContact CB-CZ 3.69Å; A460-A840 HydrophobicContact CB-CB 4.37Å; A460-E841 HydrophobicContact CB-CB 4.43Å
461	K	72.9	Confident	77.3	Confident	96 Å²	96	52.3 Å²	52.3	42%	0.417	26%	0.256	S	S	.	.	S	Bend	trans	-86.1	136.9	-179.5	-178.9	169.5	179.2	147.8	0	112.1	Y459 H476 E841 E845	Y459-K461 PolarHBondContact O-N 3.07Å; K461-H476 PolarHBondContact O-CE1 3.25Å; K461-H476 VanDerWaalsContact O-CE1 3.31Å; K461-E841 WeakPolarHBondContact CA-OE1 3.45Å; K461-E841 HydrophobicContact CB-CG 4.4Å; K461-E845 HydrophobicContact CD-CG 4.39Å; K461-E845 WeakPolarHBondContact CE-OE1 3.46Å; K461-E845 IonicContact NZ-OE1 2.97Å; K461-E845 PolarHBondContact NZ-OE1 3.06Å
462	R	77.1	Confident	79.2	Confident	108 Å²	108	55.6 Å²	55.6	41%	0.408	27%	0.266	S	S	.	.			trans	-65.5	132.9	168.4	-69.4	176.2	-174	-170.6	-5	111.6	E183 H480 E841	E183-R462 IonicContact OE2-CZ 3.37Å; E183-R462 IonicContact OE2-NH1 3.78Å; E183-R462 PolarHBondContact OE2-NH1 2.65Å; E183-R462 IonicContact OE2-NH2 3.82Å; E183-R462 PolarHBondContact OE2-NH2 3.24Å; R462-H480 VanDerWaalsContact CG-CE1 3.46Å; R462-H480 WeakPolarHBondContact CG-CE1 3.4Å; R462-H480 WeakPolarHBondContact CG-NE2 3.45Å; R462-E841 PolarHBondContact N-OE1 3.49Å
463	M	81.5	Confident	81.1	Confident	93 Å²	93	53 Å²	53	46%	0.458	25%	0.253	S	S	.	.			trans	-119.2	147	178.3	-64.8	-177	72.2	0	0	110.8	V465 M468 H476	M463-V465 WeakPolarHBondContact O-CG1 3.35Å; M463-V465 PolarHBondContact O-N 3.26Å; M463-M468 HydrophobicContact CB-CE 3.5Å; M463-M468 VanDerWaalsContact CB-CE 3.5Å; M463-M468 HydrophobicContact CE-CE 4.37Å; M463-M468 HydrophobicContact CG-CE 4.45Å; M463-M468 HydrophobicContact SD-CE 4.25Å; M463-H476 PolarHBondContact N-NE2 3.31Å
464	P	83.3	Confident	82.5	Confident	98 Å²	98	52.4 Å²	52.4	64%	0.636	25%	0.25	S	C	*	.			trans	-58.8	124	167.9	-20.6	32.1	0	0	0	109.9	M468	P464-M468 WeakPolarHBondContact O-CE 3.3Å
465	V	87.5	Confident	83.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.			trans	-100.5	-17.2	-171.5	-64.7	0	0	0	0	113.4	E184 P281 I419 M463 N467 M468 Y473	E184-V465 VanDerWaalsContact CD-CG2 3.47Å; E184-V465 VanDerWaalsContact OE1-CG2 3.31Å; E184-V465 WeakPolarHBondContact OE1-CG2 3.33Å; E184-V465 PolarHBondContact OE1-N 3.07Å; E184-V465 WeakPolarHBondContact OE2-CG2 3.31Å; P281-V465 HydrophobicContact CG-CG2 3.68Å; I419-V465 WeakPolarHBondContact CG2-O 3.44Å; M463-V465 WeakPolarHBondContact O-CG1 3.35Å; M463-V465 PolarHBondContact O-N 3.26Å; V465-N467 PolarHBondContact O-N 2.81Å; V465-M468 HydrophobicContact CB-SD 4.17Å; V465-M468 HydrophobicContact CG1-CE 4.05Å; V465-M468 HydrophobicContact CG1-SD 3.88Å; V465-M468 WeakPolarHBondContact O-CB 3.31Å; V465-M468 PolarHBondContact O-N 3.49Å; V465-Y473 HydrophobicContact CB-CD2 3.64Å; V465-Y473 HydrophobicContact CB-CE2 3.87Å; V465-Y473 HydrophobicContact CG1-CD2 3.72Å; V465-Y473 HydrophobicContact CG1-CE2 3.89Å; V465-Y473 HydrophobicContact CG2-CD2 4.1Å; V465-Y473 HydrophobicContact CG2-CE2 3.84Å
466	N	82.3	Confident	84.8	Confident	24 Å²	24	51 Å²	51	13%	0.128	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28	-171.8	-74.7	-31.2	0	0	0	115.7	G186 V418 S420	G186-N466 PolarHBondContact O-ND2 2.96Å; G186-N466 VanDerWaalsContact O-ND2 3.08Å; V418-N466 WeakPolarHBondContact CG1-O 3.49Å; S420-N466 WeakPolarHBondContact CB-O 3.31Å; S420-N466 PolarHBondContact OG-O 3.42Å
467	N	87	Confident	85.7	Confident	148 Å²	148	46.4 Å²	46.4	79%	0.791	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	0.4	179.6	-68	-20.8	0	0	0	113.8	V465	V465-N467 PolarHBondContact O-N 2.81Å
468	M	92	Very high	86.8	Confident	23 Å²	23	45.9 Å²	45.9	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	-71.3	145.4	176.5	-66.4	-172.8	-176.3	0	0	110.6	V418 I419 M463 P464 V465 E472 H476	V418-M468 CarbonylContact C-O 3.58Å; V418-M468 WeakPolarHBondContact CA-O 3.49Å; I419-M468 PolarHBondContact N-O 2.92Å; M463-M468 HydrophobicContact CB-CE 3.5Å; M463-M468 VanDerWaalsContact CB-CE 3.5Å; M463-M468 HydrophobicContact CE-CE 4.37Å; M463-M468 HydrophobicContact CG-CE 4.45Å; M463-M468 HydrophobicContact SD-CE 4.25Å; P464-M468 WeakPolarHBondContact O-CE 3.3Å; V465-M468 HydrophobicContact CB-SD 4.17Å; V465-M468 HydrophobicContact CG1-CE 4.05Å; V465-M468 HydrophobicContact CG1-SD 3.88Å; V465-M468 WeakPolarHBondContact O-CB 3.31Å; V465-M468 PolarHBondContact O-N 3.49Å; M468-E472 HydrophobicContact CB-CB 4.13Å; M468-H476 HydrophobicContact SD-CB 4.24Å
469	S	93.7	Very high	87.3	Confident	9 Å²	9	40.7 Å²	40.7	6%	0.063	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-64.3	153.9	163.3	61.5	0	0	0	0	110.6	S416 S417 R471 E472 Y473	S416-S469 VanDerWaalsContact O-CB 3.31Å; S416-S469 WeakPolarHBondContact O-CB 3.2Å; S417-S469 CarbonylContact O-C 3.55Å; S417-S469 VanDerWaalsContact O-CA 3.31Å; S417-S469 WeakPolarHBondContact O-CA 3.13Å; S469-R471 PolarHBondContact O-N 2.91Å; S469-R471 VanDerWaalsContact OG-CG 3.24Å; S469-R471 WeakPolarHBondContact OG-CG 3.34Å; S469-R471 PolarHBondContact OG-NE 3.2Å; S469-E472 WeakPolarHBondContact CB-OE2 3.28Å; S469-E472 PolarHBondContact N-OE2 3.14Å; S469-E472 PolarHBondContact O-N 3.08Å; S469-E472 VanDerWaalsContact OG-CG 3.27Å; S469-E472 WeakPolarHBondContact OG-CG 3.47Å; S469-E472 PolarHBondContact OG-OE2 3.18Å; S469-Y473 PolarHBondContact O-N 3.03Å
470	V	92	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-51.5	-43.5	178.8	169.3	0	0	0	0	111.8	V411 E412 R415 S417 I419 H422 V425 E472 Y473 C474	V411-V470 HydrophobicContact CG1-CG2 4.36Å; E412-V470 WeakPolarHBondContact O-CG1 2.94Å; R415-V470 HydrophobicContact CB-CB 4.01Å; R415-V470 HydrophobicContact CB-CG1 4.33Å; R415-V470 HydrophobicContact CB-CG2 4.25Å; R415-V470 WeakPolarHBondContact O-CB 2.97Å; R415-V470 PolarHBondContact O-N 3.21Å; S417-V470 PolarHBondContact O-N 3.34Å; I419-V470 HydrophobicContact CD1-CG2 4.07Å; H422-V470 WeakPolarHBondContact CD2-CG2 2.94Å; V425-V470 HydrophobicContact CB-CG1 4.29Å; V425-V470 HydrophobicContact CG1-CG1 3.52Å; V425-V470 HydrophobicContact CG2-CG1 3.71Å; V425-V470 HydrophobicContact CG2-CG2 4.39Å; V470-E472 PolarHBondContact O-N 3.43Å; V470-Y473 WeakPolarHBondContact O-CB 3.37Å; V470-Y473 PolarHBondContact O-N 3.47Å; V470-C474 PolarHBondContact O-N 3.34Å; V470-C474 PolarHBondContact O-SG 3.33Å
471	R	90.7	Very high	88.3	Confident	98 Å²	98	40.2 Å²	40.2	37%	0.37	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-39.3	176.8	62.7	-173.6	-179.3	-170.6	3.7	114.4	S413 R415 S469 T475	S413-R471 VanDerWaalsContact O-CA 3.23Å; S413-R471 WeakPolarHBondContact O-CA 3.2Å; R415-R471 PolarHBondContact O-N 2.91Å; S469-R471 PolarHBondContact O-N 2.91Å; S469-R471 VanDerWaalsContact OG-CG 3.24Å; S469-R471 WeakPolarHBondContact OG-CG 3.34Å; S469-R471 PolarHBondContact OG-NE 3.2Å; R471-T475 PolarHBondContact O-N 3.06Å; R471-T475 PolarHBondContact O-OG1 2.75Å
472	E	91.7	Very high	88.7	Confident	89 Å²	89	35.9 Å²	35.9	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-69.9	-41.6	176.8	-73.9	164.4	147.2	0	0	110.4	M468 S469 V470 T475 H476	M468-E472 HydrophobicContact CB-CB 4.13Å; S469-E472 WeakPolarHBondContact CB-OE2 3.28Å; S469-E472 PolarHBondContact N-OE2 3.14Å; S469-E472 PolarHBondContact O-N 3.08Å; S469-E472 VanDerWaalsContact OG-CG 3.27Å; S469-E472 WeakPolarHBondContact OG-CG 3.47Å; S469-E472 PolarHBondContact OG-OE2 3.18Å; V470-E472 PolarHBondContact O-N 3.43Å; E472-T475 PolarHBondContact O-N 3.04Å; E472-H476 VanDerWaalsContact O-CB 3.31Å; E472-H476 WeakPolarHBondContact O-CB 3.38Å; E472-H476 PolarHBondContact O-N 3.29Å
473	Y	93.3	Very high	88.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-53.1	176.3	175.2	-108.6	0	0	0	112.2	S177 F278 L279 I419 V465 S469 V470 T475 H476 I477	S177-Y473 WeakPolarHBondContact CB-OH 3.48Å; F278-Y473 HydrophobicContact CB-CE1 3.88Å; L279-Y473 PolarHBondContact O-OH 3.32Å; I419-Y473 HydrophobicContact CB-CD1 4.44Å; I419-Y473 HydrophobicContact CB-CG 4.17Å; I419-Y473 HydrophobicContact CD1-CD1 3.47Å; I419-Y473 VanDerWaalsContact CD1-CD1 3.47Å; I419-Y473 HydrophobicContact CD1-CE1 3.88Å; I419-Y473 HydrophobicContact CD1-CG 4.07Å; I419-Y473 HydrophobicContact CG1-CD1 3.57Å; I419-Y473 HydrophobicContact CG1-CD2 4.21Å; I419-Y473 HydrophobicContact CG1-CE1 3.94Å; I419-Y473 HydrophobicContact CG1-CG 3.72Å; I419-Y473 HydrophobicContact CG2-CD2 4.46Å; I419-Y473 HydrophobicContact CG2-CG 4.41Å; V465-Y473 HydrophobicContact CB-CD2 3.64Å; V465-Y473 HydrophobicContact CB-CE2 3.87Å; V465-Y473 HydrophobicContact CG1-CD2 3.72Å; V465-Y473 HydrophobicContact CG1-CE2 3.89Å; V465-Y473 HydrophobicContact CG2-CD2 4.1Å; V465-Y473 HydrophobicContact CG2-CE2 3.84Å; S469-Y473 PolarHBondContact O-N 3.03Å; V470-Y473 WeakPolarHBondContact O-CB 3.37Å; V470-Y473 PolarHBondContact O-N 3.47Å; Y473-T475 VanDerWaalsContact C-N 3.31Å; Y473-T475 PolarHBondContact O-N 3.37Å; Y473-H476 PolarHBondContact O-N 3.16Å; Y473-H476 VanDerWaalsContact O-N 3.15Å; Y473-I477 HydrophobicContact CD2-CD1 4.37Å; Y473-I477 HydrophobicContact CD2-CG1 3.87Å; Y473-I477 HydrophobicContact CE1-CG1 4.15Å; Y473-I477 HydrophobicContact CE2-CD1 3.66Å; Y473-I477 HydrophobicContact CE2-CG1 3.4Å; Y473-I477 VanDerWaalsContact CE2-CG1 3.4Å; Y473-I477 HydrophobicContact CG-CG1 4.42Å; Y473-I477 WeakPolarHBondContact O-CG1 3.12Å; Y473-I477 PolarHBondContact O-N 3.21Å
474	C	93.8	Very high	88.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-44.5	179.7	-62.1	0	0	0	0	111.5	F278 F434 V470 A478	F278-C474 HydrophobicContact CD2-CB 4.04Å; F278-C474 VanDerWaalsContact CD2-SG 3.58Å; F278-C474 HydrophobicContact CE2-CB 3.71Å; F278-C474 HydrophobicContact CZ-CB 3.98Å; F434-C474 HydrophobicContact CB-CB 4.09Å; F434-C474 HydrophobicContact CD1-CB 3.85Å; F434-C474 HydrophobicContact CD2-CB 4.34Å; F434-C474 HydrophobicContact CE1-CB 4.44Å; F434-C474 HydrophobicContact CG-CB 3.79Å; V470-C474 PolarHBondContact O-N 3.34Å; V470-C474 PolarHBondContact O-SG 3.33Å; C474-A478 VanDerWaalsContact O-CB 3.31Å; C474-A478 WeakPolarHBondContact O-CB 3.31Å; C474-A478 PolarHBondContact O-N 3.3Å
475	T	91.7	Very high	88.4	Confident	13 Å²	13	26.7 Å²	26.7	8%	0.08	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-45.9	177	-53	0	0	0	0	111.3	Y459 R471 E472 Y473 Q479	Y459-T475 HydrophobicContact CE1-CG2 4.21Å; Y459-T475 HydrophobicContact CE2-CG2 4.42Å; Y459-T475 WeakPolarHBondContact OH-CG2 3.19Å; R471-T475 PolarHBondContact O-N 3.06Å; R471-T475 PolarHBondContact O-OG1 2.75Å; E472-T475 PolarHBondContact O-N 3.04Å; Y473-T475 VanDerWaalsContact C-N 3.31Å; Y473-T475 PolarHBondContact O-N 3.37Å; T475-Q479 HydrophobicContact CG2-CG 4.27Å; T475-Q479 VanDerWaalsContact O-CB 3.25Å; T475-Q479 WeakPolarHBondContact O-CB 3Å; T475-Q479 WeakPolarHBondContact O-CG 3.4Å; T475-Q479 PolarHBondContact O-N 2.66Å; T475-Q479 VanDerWaalsContact O-N 3.07Å
476	H	91.8	Very high	87.7	Confident	3 Å²	3	26.9 Å²	26.9	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-52.9	-179.7	178.6	73.3	0	0	0	111.2	Y459 K461 M463 M468 E472 Y473 A478 Q479 H480	Y459-H476 HydrophobicContact CD1-CB 4.4Å; Y459-H476 AromaticContact CD1-ND1 3.82Å; Y459-H476 HydrophobicContact CE1-CB 4.49Å; K461-H476 PolarHBondContact O-CE1 3.25Å; K461-H476 VanDerWaalsContact O-CE1 3.31Å; M463-H476 PolarHBondContact N-NE2 3.31Å; M468-H476 HydrophobicContact SD-CB 4.24Å; E472-H476 VanDerWaalsContact O-CB 3.31Å; E472-H476 WeakPolarHBondContact O-CB 3.38Å; E472-H476 PolarHBondContact O-N 3.29Å; Y473-H476 PolarHBondContact O-N 3.16Å; Y473-H476 VanDerWaalsContact O-N 3.15Å; H476-A478 PolarHBondContact O-N 2.67Å; H476-Q479 PolarHBondContact O-N 2.87Å; H476-H480 WeakPolarHBondContact O-CB 3.11Å; H476-H480 PolarHBondContact O-N 3.37Å
477	I	93.4	Very high	86.9	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-49.6	-178.1	-63.5	-61.3	0	0	0	111.5	N180 F278 Y473 Q479 H480 A481	N180-I477 HydrophobicContact CB-CD1 3.61Å; N180-I477 VanDerWaalsContact CG-CD1 3.45Å; F278-I477 HydrophobicContact CD1-CB 3.97Å; F278-I477 HydrophobicContact CD1-CG2 3.8Å; F278-I477 HydrophobicContact CE1-CB 3.87Å; F278-I477 HydrophobicContact CE1-CG2 3.78Å; Y473-I477 HydrophobicContact CD2-CD1 4.37Å; Y473-I477 HydrophobicContact CD2-CG1 3.87Å; Y473-I477 HydrophobicContact CE1-CG1 4.15Å; Y473-I477 HydrophobicContact CE2-CD1 3.66Å; Y473-I477 HydrophobicContact CE2-CG1 3.4Å; Y473-I477 VanDerWaalsContact CE2-CG1 3.4Å; Y473-I477 HydrophobicContact CG-CG1 4.42Å; Y473-I477 WeakPolarHBondContact O-CG1 3.12Å; Y473-I477 PolarHBondContact O-N 3.21Å; I477-Q479 PolarHBondContact O-N 2.87Å; I477-H480 PolarHBondContact O-N 2.81Å; I477-A481 WeakPolarHBondContact O-CB 3.39Å; I477-A481 PolarHBondContact O-N 2.86Å
478	A	91.7	Very high	86.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.4	-42.1	-178.1	0	0	0	0	0	112.5	F173 F278 F434 F439 C474 H476 A481	F173-A478 HydrophobicContact CD1-CB 4.01Å; F173-A478 HydrophobicContact CE1-CB 3.83Å; F278-A478 HydrophobicContact CE1-CB 4.28Å; F278-A478 HydrophobicContact CZ-CB 4.12Å; F434-A478 HydrophobicContact CD2-CB 4.46Å; F434-A478 HydrophobicContact CE2-CB 3.48Å; F434-A478 VanDerWaalsContact CE2-CB 3.48Å; F434-A478 HydrophobicContact CZ-CB 3.94Å; F439-A478 HydrophobicContact CD2-CB 4.03Å; F439-A478 HydrophobicContact CE2-CB 3.72Å; F439-A478 WeakPolarHBondContact CE2-O 3.37Å; F439-A478 HydrophobicContact CZ-CB 4Å; F439-A478 WeakPolarHBondContact CZ-O 3.34Å; C474-A478 VanDerWaalsContact O-CB 3.31Å; C474-A478 WeakPolarHBondContact O-CB 3.31Å; C474-A478 PolarHBondContact O-N 3.3Å; H476-A478 PolarHBondContact O-N 2.67Å; A478-A481 WeakPolarHBondContact O-CB 3.19Å
479	Q	88.5	Confident	85.3	Confident	22 Å²	22	21.1 Å²	21.1	10%	0.103	10%	0.096	C	C	.	.	H	α-helix	trans	-72.2	-36.7	178.5	-69.4	-75.3	-39	0	0	112.1	Y459 T475 H476 I477 A481 L482 F483	Y459-Q479 HydrophobicContact CD1-CB 4.13Å; Y459-Q479 HydrophobicContact CD2-CB 3.41Å; Y459-Q479 VanDerWaalsContact CD2-CB 3.41Å; Y459-Q479 HydrophobicContact CD2-CG 3.69Å; Y459-Q479 HydrophobicContact CE2-CB 4.06Å; Y459-Q479 HydrophobicContact CE2-CG 3.84Å; Y459-Q479 HydrophobicContact CG-CB 3.47Å; Y459-Q479 VanDerWaalsContact CG-CB 3.47Å; Y459-Q479 HydrophobicContact CG-CG 4.19Å; T475-Q479 HydrophobicContact CG2-CG 4.27Å; T475-Q479 VanDerWaalsContact O-CB 3.25Å; T475-Q479 WeakPolarHBondContact O-CB 3Å; T475-Q479 WeakPolarHBondContact O-CG 3.4Å; T475-Q479 PolarHBondContact O-N 2.66Å; T475-Q479 VanDerWaalsContact O-N 3.07Å; H476-Q479 PolarHBondContact O-N 2.87Å; I477-Q479 PolarHBondContact O-N 2.87Å; Q479-A481 VanDerWaalsContact C-N 3.32Å; Q479-L482 WeakPolarHBondContact O-CB 3.4Å; Q479-L482 PolarHBondContact O-N 3.28Å; Q479-F483 WeakPolarHBondContact O-CD2 3.4Å
480	H	88.9	Confident	84	Confident	15 Å²	15	21.6 Å²	21.6	7%	0.069	10%	0.101	C	C	.	.	H	α-helix	trans	-64.7	-37.8	175.7	-173.8	64.9	0	0	0	111.7	Y459 A460 R462 H476 I477 L482 F483 H484	Y459-H480 WeakPolarHBondContact O-CA 3.23Å; Y459-H480 WeakPolarHBondContact O-CB 3.26Å; Y459-H480 PolarHBondContact O-ND1 3.35Å; A460-H480 PolarHBondContact O-CE1 2.92Å; A460-H480 VanDerWaalsContact O-CE1 3.25Å; A460-H480 PolarHBondContact O-ND1 3.47Å; R462-H480 VanDerWaalsContact CG-CE1 3.46Å; R462-H480 WeakPolarHBondContact CG-CE1 3.4Å; R462-H480 WeakPolarHBondContact CG-NE2 3.45Å; H476-H480 WeakPolarHBondContact O-CB 3.11Å; H476-H480 PolarHBondContact O-N 3.37Å; I477-H480 PolarHBondContact O-N 2.81Å; H480-L482 PolarHBondContact O-N 2.98Å; H480-F483 PolarHBondContact O-N 3.08Å; H480-F483 VanDerWaalsContact O-N 3.08Å; H480-H484 AromaticContact CD2-CD2 3.67Å; H480-H484 AromaticContact CE1-CD2 3.24Å; H480-H484 PolarHBondContact CE1-CD2 3.23Å; H480-H484 AromaticContact CE1-NE2 2.9Å; H480-H484 PolarHBondContact CE1-NE2 3.42Å; H480-H484 AromaticContact ND1-CD2 3.8Å; H480-H484 AromaticContact ND1-NE2 3.75Å; H480-H484 AromaticContact NE2-CD2 3.15Å; H480-H484 PolarHBondContact NE2-CD2 3.15Å; H480-H484 AromaticContact NE2-NE2 3.14Å; H480-H484 PolarHBondContact NE2-NE2 3.21Å; H480-H484 VanDerWaalsContact NE2-NE2 3.14Å; H480-H484 PolarHBondContact O-N 3.46Å
481	A	89.1	Confident	82.5	Confident	2 Å²	2	24 Å²	24	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-55.7	-34.8	175.3	0	0	0	0	0	112.9	A172 S176 I477 A478 Q479 F483 H484 L485	A172-A481 HydrophobicContact CB-CB 3.85Å; S176-A481 WeakPolarHBondContact OG-CB 3.35Å; I477-A481 WeakPolarHBondContact O-CB 3.39Å; I477-A481 PolarHBondContact O-N 2.86Å; A478-A481 WeakPolarHBondContact O-CB 3.19Å; Q479-A481 VanDerWaalsContact C-N 3.32Å; A481-F483 PolarHBondContact O-N 2.93Å; A481-H484 PolarHBondContact O-N 2.83Å; A481-L485 HydrophobicContact CB-CD1 4.45Å; A481-L485 VanDerWaalsContact O-CB 3.29Å; A481-L485 WeakPolarHBondContact O-CB 3.46Å; A481-L485 PolarHBondContact O-N 2.85Å
482	L	82.3	Confident	80.9	Confident	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-26	179.7	-61.2	-179.8	0	0	0	113.4	F439 V443 L453 V455 Q479 H480 A486 F489	F439-L482 HydrophobicContact CE2-CD1 3.92Å; F439-L482 HydrophobicContact CE2-CD2 4.18Å; F439-L482 HydrophobicContact CE2-CG 4.06Å; F439-L482 HydrophobicContact CZ-CD1 4.44Å; F439-L482 HydrophobicContact CZ-CD2 3.85Å; F439-L482 HydrophobicContact CZ-CG 4.16Å; V443-L482 HydrophobicContact CG2-CD2 3.75Å; L453-L482 HydrophobicContact CD1-CD1 4.44Å; L453-L482 HydrophobicContact CD2-CB 4.39Å; V455-L482 HydrophobicContact CG1-CB 3.97Å; V455-L482 HydrophobicContact CG1-CD1 4Å; Q479-L482 WeakPolarHBondContact O-CB 3.4Å; Q479-L482 PolarHBondContact O-N 3.28Å; H480-L482 PolarHBondContact O-N 2.98Å; L482-A486 WeakPolarHBondContact O-CB 3.1Å; L482-F489 HydrophobicContact CD2-CE2 4.31Å
483	F	77.8	Confident	79	Confident	13 Å²	13	22.1 Å²	22.1	6%	0.057	11%	0.113	C	C	.	.	H	α-helix	trans	-79.5	-48.4	175.3	-69.1	-86.9	0	0	0	111.3	V455 A460 Q479 H480 A481 A840	V455-F483 HydrophobicContact CB-CE1 4.04Å; V455-F483 HydrophobicContact CB-CE2 3.75Å; V455-F483 HydrophobicContact CB-CZ 3.41Å; V455-F483 VanDerWaalsContact CB-CZ 3.41Å; V455-F483 HydrophobicContact CG1-CE2 4.24Å; V455-F483 HydrophobicContact CG1-CZ 4.27Å; V455-F483 HydrophobicContact CG2-CD1 4.28Å; V455-F483 HydrophobicContact CG2-CE1 3.38Å; V455-F483 HydrophobicContact CG2-CE2 4.06Å; V455-F483 HydrophobicContact CG2-CZ 3.25Å; A460-F483 HydrophobicContact CB-CD1 3.92Å; A460-F483 HydrophobicContact CB-CD2 4.18Å; A460-F483 HydrophobicContact CB-CE1 3.68Å; A460-F483 HydrophobicContact CB-CE2 3.96Å; A460-F483 HydrophobicContact CB-CG 4.14Å; A460-F483 HydrophobicContact CB-CZ 3.69Å; Q479-F483 WeakPolarHBondContact O-CD2 3.4Å; H480-F483 PolarHBondContact O-N 3.08Å; H480-F483 VanDerWaalsContact O-N 3.08Å; A481-F483 PolarHBondContact O-N 2.93Å; F483-A840 HydrophobicContact CD1-CB 3.53Å; F483-A840 HydrophobicContact CE1-CB 3.68Å
484	H	77.3	Confident	76.5	Confident	88 Å²	88	28.7 Å²	28.7	41%	0.407	14%	0.144	S	C	.	.	H	α-helix	trans	-83.3	-21.9	-172.3	-68.3	-68.3	0	0	0	114.6	H480 A481	H480-H484 AromaticContact CD2-CD2 3.67Å; H480-H484 AromaticContact CE1-CD2 3.24Å; H480-H484 PolarHBondContact CE1-CD2 3.23Å; H480-H484 AromaticContact CE1-NE2 2.9Å; H480-H484 PolarHBondContact CE1-NE2 3.42Å; H480-H484 AromaticContact ND1-CD2 3.8Å; H480-H484 AromaticContact ND1-NE2 3.75Å; H480-H484 AromaticContact NE2-CD2 3.15Å; H480-H484 PolarHBondContact NE2-CD2 3.15Å; H480-H484 AromaticContact NE2-NE2 3.14Å; H480-H484 PolarHBondContact NE2-NE2 3.21Å; H480-H484 VanDerWaalsContact NE2-NE2 3.14Å; H480-H484 PolarHBondContact O-N 3.46Å; A481-H484 PolarHBondContact O-N 2.83Å
485	L	79.3	Confident	73.7	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.026	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	10.5	176.2	-60.4	178.8	0	0	0	112.1	A171 Y175 L215 P216 A481 E487 W488 F489	A171-L485 HydrophobicContact CB-CD1 3.94Å; Y175-L485 HydrophobicContact CD1-CD1 4.03Å; Y175-L485 HydrophobicContact CE1-CD1 4.2Å; Y175-L485 HydrophobicContact CE1-CD2 3.95Å; L215-L485 HydrophobicContact CD2-CD1 4.21Å; L215-L485 HydrophobicContact CD2-CD2 4.34Å; P216-L485 HydrophobicContact CG-CD2 3.87Å; A481-L485 HydrophobicContact CB-CD1 4.45Å; A481-L485 VanDerWaalsContact O-CB 3.29Å; A481-L485 WeakPolarHBondContact O-CB 3.46Å; A481-L485 PolarHBondContact O-N 2.85Å; L485-E487 PolarHBondContact O-N 3.2Å; L485-W488 HydrophobicContact CB-CB 4.4Å; L485-W488 HydrophobicContact CD2-CB 4.26Å; L485-W488 CarbonylContact O-C 3.49Å; L485-W488 PolarHBondContact O-N 3.24Å; L485-W488 VanDerWaalsContact O-N 3.14Å; L485-F489 HydrophobicContact CB-CD2 3.77Å; L485-F489 HydrophobicContact CB-CE2 3.68Å; L485-F489 HydrophobicContact CD1-CE2 4.46Å; L485-F489 WeakPolarHBondContact O-CB 3.08Å; L485-F489 WeakPolarHBondContact O-CD2 3.33Å; L485-F489 WeakPolarHBondContact O-CG 3.41Å; L485-F489 PolarHBondContact O-N 3.21Å
486	A	74.1	Confident	70.8	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-55.4	-48.7	-179.8	0	0	0	0	0	112.3	L482 F489 A490 F837	L482-A486 WeakPolarHBondContact O-CB 3.1Å; A486-F489 PolarHBondContact O-N 3.08Å; A486-A490 WeakPolarHBondContact O-CB 3.23Å; A486-A490 PolarHBondContact O-N 3.43Å; A486-F837 HydrophobicContact CB-CD1 3.95Å
487	E	65.8	Low	67.7	Low	45 Å²	45	41.2 Å²	41.2	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-47.2	174.2	-88.3	-179.5	157.9	0	0	111.1	L485 F489 A490 E491 A814 R816 H834 H838	L485-E487 PolarHBondContact O-N 3.2Å; E487-F489 VanDerWaalsContact C-N 3.35Å; E487-F489 PolarHBondContact O-N 3.22Å; E487-A490 CarbonylContact O-C 3.48Å; E487-A490 WeakPolarHBondContact O-CA 3.26Å; E487-A490 WeakPolarHBondContact O-CB 3.25Å; E487-A490 PolarHBondContact O-N 3.12Å; E487-E491 WeakPolarHBondContact O-CB 3.37Å; E487-E491 WeakPolarHBondContact O-CG 3.41Å; E487-E491 PolarHBondContact O-N 2.95Å; E487-A814 WeakPolarHBondContact CG-O 3.33Å; E487-R816 IonicContact OE1-CZ 3.88Å; E487-R816 IonicContact OE1-NE 2.66Å; E487-H834 IonicContact OE1-CE1 2.77Å; E487-H834 IonicContact OE1-NE2 2.82Å; E487-H838 VanDerWaalsContact CG-CE1 3.4Å; E487-H838 WeakPolarHBondContact CG-CE1 3.49Å; E487-H838 IonicContact OE1-CE1 2.67Å; E487-H838 PolarHBondContact OE1-CE1 3.11Å; E487-H838 IonicContact OE1-NE2 3.77Å; E487-H838 PolarHBondContact OE1-NE2 3.46Å; E487-H838 VanDerWaalsContact OE1-NE2 3.12Å; E487-H838 IonicContact OE2-CE1 2.72Å; E487-H838 PolarHBondContact OE2-CE1 3.15Å; E487-H838 IonicContact OE2-NE2 3.85Å
488	W	75	Confident	64.7	Low	15 Å²	15	44.6 Å²	44.6	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-40.7	179.4	-177.3	83.3	0	0	0	112.8	I167 A171 L214 L215 P216 L485 A490 E491 Y492	I167-W488 HydrophobicContact CG2-CH2 3.49Å; I167-W488 VanDerWaalsContact CG2-CH2 3.49Å; I167-W488 HydrophobicContact CG2-CZ3 3.97Å; A171-W488 HydrophobicContact CB-CE3 4.2Å; A171-W488 HydrophobicContact CB-CH2 3.89Å; A171-W488 HydrophobicContact CB-CZ3 3.43Å; A171-W488 VanDerWaalsContact CB-CZ3 3.43Å; L214-W488 PolarHBondContact O-NE1 2.84Å; L215-W488 HydrophobicContact CD2-CD2 3.78Å; L215-W488 HydrophobicContact CD2-CE3 3.93Å; L215-W488 HydrophobicContact CD2-CG 4.48Å; L215-W488 HydrophobicContact CD2-CH2 3.66Å; L215-W488 HydrophobicContact CD2-CZ2 3.55Å; L215-W488 HydrophobicContact CD2-CZ3 3.88Å; L215-W488 HydrophobicContact CG-CH2 4.07Å; L215-W488 HydrophobicContact CG-CZ2 3.65Å; P216-W488 HydrophobicContact CG-CB 4.39Å; P216-W488 HydrophobicContact CG-CG 4.48Å; L485-W488 HydrophobicContact CB-CB 4.4Å; L485-W488 HydrophobicContact CD2-CB 4.26Å; L485-W488 CarbonylContact O-C 3.49Å; L485-W488 PolarHBondContact O-N 3.24Å; L485-W488 VanDerWaalsContact O-N 3.14Å; W488-A490 VanDerWaalsContact C-N 3.28Å; W488-A490 PolarHBondContact O-N 3.14Å; W488-E491 PolarHBondContact O-N 3.35Å; W488-Y492 AromaticContact CH2-CD2 3.91Å; W488-Y492 HydrophobicContact CH2-CD2 3.91Å; W488-Y492 HydrophobicContact CH2-CE2 4.14Å; W488-Y492 AromaticContact CZ2-CD2 3.61Å; W488-Y492 HydrophobicContact CZ2-CD2 3.61Å; W488-Y492 AromaticContact CZ2-CE2 3.82Å; W488-Y492 HydrophobicContact CZ2-CE2 3.82Å; W488-Y492 PolarHBondContact O-N 3.12Å
489	F	69.9	Low	62.4	Low	15 Å²	15	47.6 Å²	47.6	7%	0.066	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-37.2	173.1	-79.1	-58.4	0	0	0	111.2	F164 A168 A171 A172 L482 L485 A486 E487	F164-F489 HydrophobicContact CE2-CD1 4.38Å; F164-F489 HydrophobicContact CZ-CD1 4.29Å; F164-F489 HydrophobicContact CZ-CE1 4.5Å; A168-F489 HydrophobicContact CB-CE1 4.39Å; A171-F489 HydrophobicContact CB-CE1 4.06Å; A171-F489 HydrophobicContact CB-CZ 3.84Å; A172-F489 HydrophobicContact CB-CZ 4.5Å; L482-F489 HydrophobicContact CD2-CE2 4.31Å; L485-F489 HydrophobicContact CB-CD2 3.77Å; L485-F489 HydrophobicContact CB-CE2 3.68Å; L485-F489 HydrophobicContact CD1-CE2 4.46Å; L485-F489 WeakPolarHBondContact O-CB 3.08Å; L485-F489 WeakPolarHBondContact O-CD2 3.33Å; L485-F489 WeakPolarHBondContact O-CG 3.41Å; L485-F489 PolarHBondContact O-N 3.21Å; A486-F489 PolarHBondContact O-N 3.08Å; E487-F489 VanDerWaalsContact C-N 3.35Å; E487-F489 PolarHBondContact O-N 3.22Å
490	A	65.7	Low	59.9	Low	18 Å²	18	53.8 Å²	53.8	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-70.9	-46.3	174.5	0	0	0	0	0	112.1	A486 E487 W488 Y492 T493 A814 K815	A486-A490 WeakPolarHBondContact O-CB 3.23Å; A486-A490 PolarHBondContact O-N 3.43Å; E487-A490 CarbonylContact O-C 3.48Å; E487-A490 WeakPolarHBondContact O-CA 3.26Å; E487-A490 WeakPolarHBondContact O-CB 3.25Å; E487-A490 PolarHBondContact O-N 3.12Å; W488-A490 VanDerWaalsContact C-N 3.28Å; W488-A490 PolarHBondContact O-N 3.14Å; A490-Y492 VanDerWaalsContact C-N 3.31Å; A490-Y492 PolarHBondContact O-N 3.49Å; A490-T493 WeakPolarHBondContact O-CB 3.34Å; A490-T493 PolarHBondContact O-N 3.08Å; A490-T493 VanDerWaalsContact O-N 3.07Å; A490-T493 PolarHBondContact O-OG1 2.87Å; A490-A814 HydrophobicContact CB-CB 4.46Å; A490-K815 HydrophobicContact CB-CB 4.15Å
491	E	60.9	Low	58	Low	51 Å²	51	56.3 Å²	56.3	24%	0.238	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-19.5	179.2	-74.9	174.2	-173.2	0	0	113.6	K213 E487 W488 T493 E494	K213-E491 PolarHBondContact NZ-O 3.32Å; E487-E491 WeakPolarHBondContact O-CB 3.37Å; E487-E491 WeakPolarHBondContact O-CG 3.41Å; E487-E491 PolarHBondContact O-N 2.95Å; W488-E491 PolarHBondContact O-N 3.35Å; E491-T493 CarbonylContact O-C 3.5Å; E491-T493 PolarHBondContact O-N 2.82Å; E491-E494 PolarHBondContact O-N 2.85Å
492	Y	57.9	Low	56.4	Low	45 Å²	45	58.7 Å²	58.7	18%	0.176	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-2.3	164.7	-144.9	-87.8	0	0	0	111.9	I167 H210 K213 W488 A490	I167-Y492 HydrophobicContact CD1-CD1 4.35Å; I167-Y492 HydrophobicContact CD1-CE1 3.49Å; I167-Y492 VanDerWaalsContact CD1-CE1 3.49Å; I167-Y492 WeakPolarHBondContact CD1-OH 3.44Å; I167-Y492 HydrophobicContact CG2-CD2 4.33Å; I167-Y492 HydrophobicContact CG2-CE1 4.47Å; I167-Y492 HydrophobicContact CG2-CE2 4.08Å; H210-Y492 PolarHBondContact ND1-OH 3.13Å; H210-Y492 VanDerWaalsContact ND1-OH 3.08Å; K213-Y492 HydrophobicContact CB-CD2 3.47Å; K213-Y492 VanDerWaalsContact CB-CD2 3.47Å; K213-Y492 HydrophobicContact CB-CE2 3.45Å; K213-Y492 VanDerWaalsContact CB-CE2 3.45Å; K213-Y492 HydrophobicContact CB-CG 4.3Å; K213-Y492 HydrophobicContact CD-CD1 4.26Å; K213-Y492 HydrophobicContact CD-CD2 4.05Å; K213-Y492 HydrophobicContact CD-CE1 4.49Å; K213-Y492 HydrophobicContact CD-CE2 4.3Å; K213-Y492 HydrophobicContact CD-CG 4.03Å; K213-Y492 HydrophobicContact CG-CD2 4.09Å; K213-Y492 HydrophobicContact CG-CE2 4.4Å; K213-Y492 HydrophobicContact CG-CG 4.48Å; K213-Y492 PolarHBondContact NZ-O 2.88Å; W488-Y492 AromaticContact CH2-CD2 3.91Å; W488-Y492 HydrophobicContact CH2-CD2 3.91Å; W488-Y492 HydrophobicContact CH2-CE2 4.14Å; W488-Y492 AromaticContact CZ2-CD2 3.61Å; W488-Y492 HydrophobicContact CZ2-CD2 3.61Å; W488-Y492 AromaticContact CZ2-CE2 3.82Å; W488-Y492 HydrophobicContact CZ2-CE2 3.82Å; W488-Y492 PolarHBondContact O-N 3.12Å; A490-Y492 VanDerWaalsContact C-N 3.31Å; A490-Y492 PolarHBondContact O-N 3.49Å
493	T	51.3	Low	56.1	Low	103 Å²	103	59.6 Å²	59.6	63%	0.632	36%	0.36	S	S	*	.	S	Bend	trans	-95.9	-31.5	160.2	69.7	0	0	0	0	118.4	K213 A490 E491	K213-T493 VanDerWaalsContact NZ-CA 3.3Å; K213-T493 VanDerWaalsContact NZ-N 3.17Å; K213-T493 PolarHBondContact NZ-O 2.88Å; A490-T493 WeakPolarHBondContact O-CB 3.34Å; A490-T493 PolarHBondContact O-N 3.08Å; A490-T493 VanDerWaalsContact O-N 3.07Å; A490-T493 PolarHBondContact O-OG1 2.87Å; E491-T493 CarbonylContact O-C 3.5Å; E491-T493 PolarHBondContact O-N 2.82Å
494	E	41.5	Very low	56.5	Low	138 Å²	138	60.6 Å²	60.6	65%	0.645	37%	0.366	S	S	*	.			trans	-172.3	167.9	178.5	-110.4	156.6	-138.1	0	0	117.2	E491 K815	E491-E494 PolarHBondContact O-N 2.85Å; E494-K815 PolarHBondContact O-NZ 2.87Å; E494-K815 VanDerWaalsContact O-NZ 3.13Å
495	S	33.9	Very low	57.2	Low	107 Å²	107	59.9 Å²	59.9	75%	0.748	36%	0.361	S	S	*	.			trans	-78.9	162	-155.9	52.7	0	0	0	0	121.1
496	D	29.9	Very low	58	Low	117 Å²	117	59.7 Å²	59.7	63%	0.626	36%	0.36	S	S	*	.			trans	-130.8	174	-168.3	-54.1	-47.9	0	0	0	116.3
497	G	28.1	Very low	59.1	Low	55 Å²	55	59.5 Å²	59.5	57%	0.567	36%	0.359	S	S	*	.			trans	-164.8	162.2	173.4	0	0	0	0	0	114.6
498	G	30.3	Very low	60.7	Low	74 Å²	74	57.4 Å²	57.4	76%	0.763	35%	0.349	S	S	*	.			trans	-123.7	-179.6	-173	0	0	0	0	0	116.2
499	K	42.1	Very low	61.8	Low	62 Å²	62	56.7 Å²	56.7	27%	0.27	35%	0.346	S	S	.	.			trans	-139	170.7	-160.1	-66	-178.7	-173.8	167.6	0	116.9	F501 I535 H536 E538 T539	K499-F501 HydrophobicContact CD-CZ 4.34Å; K499-I535 PolarHBondContact NZ-O 3.31Å; K499-H536 WeakPolarHBondContact CD-O 3.46Å; K499-H536 WeakPolarHBondContact CE-O 3.25Å; K499-H536 PolarHBondContact NZ-O 2.64Å; K499-E538 WeakPolarHBondContact CE-O 3.17Å; K499-E538 VanDerWaalsContact NZ-C 3.33Å; K499-E538 PolarHBondContact NZ-O 2.92Å; K499-T539 HydrophobicContact CD-CG2 3.78Å; K499-T539 HydrophobicContact CG-CG2 3.39Å
500	L	36.9	Very low	63	Low	153 Å²	153	56 Å²	56	80%	0.801	34%	0.343	S	S	*	.			trans	-142.9	156.7	168.5	-92.7	146.5	0	0	0	111.1	Y551	L500-Y551 WeakPolarHBondContact O-CD2 3.41Å
501	F	49.3	Very low	64.4	Low	67 Å²	67	55.9 Å²	55.9	29%	0.294	34%	0.341	S	S	.	.			trans	-129.9	153.7	-171.6	-60.2	-82.7	0	0	0	114	K499 H536 P586 L638	K499-F501 HydrophobicContact CD-CZ 4.34Å; F501-H536 AromaticContact CE1-CD2 3.91Å; F501-H536 AromaticContact CZ-CD2 3.99Å; F501-P586 HydrophobicContact CD2-CG 4.5Å; F501-P586 HydrophobicContact CE1-CG 4.33Å; F501-P586 HydrophobicContact CE2-CG 4.21Å; F501-P586 HydrophobicContact CZ-CG 4.13Å; F501-L638 HydrophobicContact CE1-CD2 4.31Å
502	G	54.6	Low	65.9	Low	53 Å²	53	53.8 Å²	53.8	55%	0.546	33%	0.331	S	S	.	.			trans	-174.9	20	177.6	0	0	0	0	0	119.6	S550 Y551	G502-S550 VanDerWaalsContact C-OG 3.22Å; G502-S550 WeakPolarHBondContact O-CB 3.4Å; G502-S550 PolarHBondContact O-OG 2.94Å; G502-Y551 PolarHBondContact N-O 3.49Å
503	G	75.9	Confident	67.3	Low	24 Å²	24	53.1 Å²	53.1	25%	0.247	33%	0.332	C	S	.	.	S	Bend	trans	-98.9	-148.2	-175.3	0	0	0	0	0	114.5	S550 Y551	G503-S550 WeakPolarHBondContact CA-O 3.31Å; G503-S550 VanDerWaalsContact CA-OG 3.24Å; G503-S550 WeakPolarHBondContact CA-OG 3.19Å; G503-S550 PolarHBondContact N-OG 2.64Å; G503-Y551 WeakPolarHBondContact CA-O 3.4Å; G503-Y551 PolarHBondContact N-O 3.06Å
504	L	88	Confident	68.5	Low	35 Å²	35	48.5 Å²	48.5	18%	0.183	31%	0.305	C	S	.	.			trans	-62.2	148.7	177.3	-61.6	171.7	0	0	0	111.3	I506 N552 K553 D622 Y623 P642	L504-I506 HydrophobicContact CB-CG1 4.22Å; L504-N552 HydrophobicContact CB-CB 4.48Å; L504-N552 WeakPolarHBondContact CB-OD1 3.5Å; L504-N552 PolarHBondContact N-OD1 3.24Å; L504-N552 CarbonylContact O-C 3.47Å; L504-N552 VanDerWaalsContact O-CA 3.29Å; L504-N552 WeakPolarHBondContact O-CA 3.37Å; L504-N552 WeakPolarHBondContact O-CB 3.16Å; L504-K553 PolarHBondContact O-N 2.99Å; L504-D622 HydrophobicContact CD2-CB 4.38Å; L504-Y623 HydrophobicContact CD1-CD2 4.22Å; L504-Y623 HydrophobicContact CD1-CE2 4.3Å; L504-Y623 HydrophobicContact CD2-CD2 4.5Å; L504-Y623 HydrophobicContact CD2-CE2 4.35Å; L504-P642 HydrophobicContact CD1-CG 4.32Å
505	K	91.7	Very high	69.9	Low	73 Å²	73	43.3 Å²	43.3	32%	0.317	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.6	168.3	-63.4	174.7	-172.6	167.5	0	109.5	K553 I620 Y621 D622 Y623	K505-K553 WeakPolarHBondContact CA-O 3.24Å; K505-K553 HydrophobicContact CG-CD 4.34Å; K505-I620 WeakPolarHBondContact CD-O 3.47Å; K505-Y621 HydrophobicContact CB-CD1 4.11Å; K505-D622 PolarHBondContact N-OD2 3.42Å; K505-D622 PolarHBondContact O-N 3.01Å; K505-Y623 PolarHBondContact O-N 2.99Å
506	I	95.4	Very high	71.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.5	-178.5	-58.1	173.2	0	0	0	108.9	L504 N552 K553 I554 D555 Y623 L637 F684	L504-I506 HydrophobicContact CB-CG1 4.22Å; I506-N552 HydrophobicContact CD1-CB 3.98Å; I506-K553 PolarHBondContact N-O 2.91Å; I506-I554 HydrophobicContact CB-CG1 4.33Å; I506-I554 HydrophobicContact CD1-CG1 4.42Å; I506-I554 CarbonylContact O-C 3.56Å; I506-I554 WeakPolarHBondContact O-CA 3.27Å; I506-D555 PolarHBondContact O-N 2.69Å; I506-Y623 WeakPolarHBondContact CA-O 3.42Å; I506-L637 HydrophobicContact CD1-CD1 4.25Å; I506-F684 HydrophobicContact CD1-CE2 4.13Å; I506-F684 HydrophobicContact CD1-CZ 4.23Å; I506-F684 HydrophobicContact CG2-CE2 4.1Å
507	G	97.5	Very high	73.2	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.7	169.3	0	0	0	0	0	110.6	Y621 Y623 F624 L625	G507-Y621 VanDerWaalsContact N-CD1 3.33Å; G507-Y623 PolarHBondContact N-O 2.71Å; G507-F624 VanDerWaalsContact O-CA 3.31Å; G507-F624 WeakPolarHBondContact O-CA 3.24Å; G507-F624 WeakPolarHBondContact O-CD1 3.15Å; G507-L625 PolarHBondContact O-N 2.74Å
508	V	98.5	Very high	75.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113	173.3	-176.4	0	0	0	0	108.3	L528 I554 D555 L556 L557 L625 T627 L633	V508-L528 HydrophobicContact CG1-CD1 4.11Å; V508-I554 HydrophobicContact CG2-CG2 3.55Å; V508-D555 PolarHBondContact N-O 2.7Å; V508-L556 HydrophobicContact CB-CD1 4.16Å; V508-L556 HydrophobicContact CG1-CD1 4.11Å; V508-L557 WeakPolarHBondContact O-CA 3.2Å; V508-L557 WeakPolarHBondContact O-CB 3.36Å; V508-L557 PolarHBondContact O-N 2.76Å; V508-L625 CarbonylContact C-O 3.54Å; V508-L625 WeakPolarHBondContact CA-O 3.22Å; V508-L625 HydrophobicContact CG1-CD2 4.24Å; V508-L625 HydrophobicContact CG1-CG 4.49Å; V508-L625 HydrophobicContact CG2-CB 4.29Å; V508-L625 HydrophobicContact CG2-CD2 4.2Å; V508-T627 HydrophobicContact CG1-CG2 4.01Å; V508-L633 HydrophobicContact CG1-CD1 4.35Å; V508-L633 HydrophobicContact CG1-CD2 4.25Å; V508-L633 HydrophobicContact CG2-CD1 4.03Å
509	I	98.4	Very high	77.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.6	-178.1	-60.2	169.2	0	0	0	108.4	L557 F559 F608 F614 F624 L625 T627 L690	I509-L557 HydrophobicContact CG1-CD1 4.48Å; I509-F559 HydrophobicContact CB-CE2 4.39Å; I509-F559 HydrophobicContact CG1-CE2 4.2Å; I509-F559 HydrophobicContact CG2-CD2 3.86Å; I509-F559 HydrophobicContact CG2-CE2 3.81Å; I509-F608 HydrophobicContact CG2-CB 4.19Å; I509-F608 HydrophobicContact CG2-CD1 3.84Å; I509-F608 HydrophobicContact CG2-CD2 4.46Å; I509-F608 HydrophobicContact CG2-CE1 4.32Å; I509-F608 HydrophobicContact CG2-CG 3.92Å; I509-F614 HydrophobicContact CD1-CE2 3.72Å; I509-F614 HydrophobicContact CD1-CZ 4.19Å; I509-F624 HydrophobicContact CD1-CB 3.92Å; I509-F624 HydrophobicContact CD1-CD1 4Å; I509-F624 HydrophobicContact CD1-CD2 4.01Å; I509-F624 HydrophobicContact CD1-CG 3.74Å; I509-F624 HydrophobicContact CG1-CD1 4.22Å; I509-F624 HydrophobicContact CG1-CG 4.41Å; I509-L625 PolarHBondContact N-O 3.05Å; I509-T627 PolarHBondContact O-N 2.97Å; I509-L690 HydrophobicContact CD1-CD2 4.32Å
510	G	96.2	Very high	79.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.3	167.1	0	0	0	0	0	110.2	L557 I558 F559	G510-L557 PolarHBondContact N-O 3.3Å; G510-I558 WeakPolarHBondContact O-CA 3.43Å; G510-F559 PolarHBondContact O-N 2.93Å
511	V	95.4	Very high	82.2	Confident	16 Å²	16	37.3 Å²	37.3	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.5	178.4	-177	0	0	0	0	109.9	P513 F559 N604 T605 S607 F608 L629	V511-P513 WeakPolarHBondContact O-CD 3.47Å; V511-F559 WeakPolarHBondContact CA-O 3.36Å; V511-F559 HydrophobicContact CG2-CB 4.34Å; V511-N604 WeakPolarHBondContact CG1-O 3.5Å; V511-T605 WeakPolarHBondContact CG2-O 3.3Å; V511-S607 WeakPolarHBondContact CG1-OG 3.2Å; V511-F608 HydrophobicContact CG2-CB 4.2Å; V511-F608 HydrophobicContact CG2-CD1 3.84Å; V511-L629 WeakPolarHBondContact O-CD1 3.23Å
512	L	91.8	Very high	83.9	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.031	19%	0.185	C	C	.	.			trans	-94	113.7	174.1	-179.1	69.3	0	0	0	110.2	F520 I521 L524 I558 F559 T560 H564 L629	L512-F520 HydrophobicContact CD1-CB 4Å; L512-I521 HydrophobicContact CD1-CG1 3.92Å; L512-I521 HydrophobicContact CD2-CG1 4.39Å; L512-L524 HydrophobicContact CB-CD2 4.43Å; L512-L524 HydrophobicContact CD1-CD2 4.32Å; L512-L524 HydrophobicContact CD2-CD2 4.19Å; L512-I558 HydrophobicContact CB-CG2 4.34Å; L512-F559 PolarHBondContact N-O 3.36Å; L512-T560 PolarHBondContact O-OG1 3.43Å; L512-H564 HydrophobicContact CD2-CB 4.26Å; L512-L629 HydrophobicContact CD1-CD1 3.87Å
513	P	86.1	Confident	85.6	Confident	31 Å²	31	32.2 Å²	32.2	20%	0.201	16%	0.162	C	C	.	.			trans	-57.8	152.7	-179.4	-24.8	34.7	0	0	0	113	V511 G515 F520 H564	V511-P513 WeakPolarHBondContact O-CD 3.47Å; P513-G515 PolarHBondContact O-N 2.71Å; P513-F520 HydrophobicContact CB-CD2 4.33Å; P513-F520 HydrophobicContact CG-CD2 3.83Å; P513-F520 HydrophobicContact CG-CE2 4.13Å; P513-F520 HydrophobicContact CG-CG 4.23Å; P513-H564 PolarHBondContact O-NE2 3.2Å
514	A	77.2	Confident	86.4	Confident	7 Å²	7	31.1 Å²	31.1	6%	0.058	15%	0.15	C	C	.	.	S	Bend	trans	-67	-24.5	178.9	0	0	0	0	0	112.2	E561 K563 E595	A514-E561 VanDerWaalsContact CB-CD 3.47Å; A514-E561 HydrophobicContact CB-CG 3.97Å; A514-E561 WeakPolarHBondContact CB-OE2 3.33Å; A514-K563 VanDerWaalsContact CB-NZ 3.28Å; A514-K563 WeakPolarHBondContact O-CE 3.06Å; A514-K563 PolarHBondContact O-NZ 3.15Å; A514-E595 HydrophobicContact CB-CG 3.79Å; A514-E595 WeakPolarHBondContact CB-OE1 3.23Å; A514-E595 WeakPolarHBondContact CB-OE2 3.19Å; A514-E595 PolarHBondContact N-OE1 3.35Å
515	G	71.3	Confident	86.5	Confident	28 Å²	28	29.4 Å²	29.4	29%	0.289	14%	0.141	S	C	.	.	S	Bend	trans	-60.5	143.1	172.6	0	0	0	0	0	111.7	P513 H517	P513-G515 PolarHBondContact O-N 2.71Å; G515-H517 PolarHBondContact O-N 3.25Å
516	R	60.6	Low	86.4	Confident	182 Å²	182	26 Å²	26	69%	0.687	13%	0.126	S	C	*	.			trans	-83.3	50.8	171.7	-68.1	-169.4	-172.1	177.2	5.9	111.3	V518	R516-V518 PolarHBondContact O-N 3.18Å
517	H	71.7	Confident	86.4	Confident	99 Å²	99	26 Å²	26	46%	0.458	13%	0.126	S	C	.	.			trans	-77.1	110.6	172.1	-60.9	-74.7	0	0	0	107.5	G515 E519 F520 I521	G515-H517 PolarHBondContact O-N 3.25Å; H517-E519 WeakPolarHBondContact CA-OE2 3.48Å; H517-E519 WeakPolarHBondContact CB-OE2 3.38Å; H517-E519 PolarHBondContact O-N 3.24Å; H517-E519 VanDerWaalsContact O-N 3.16Å; H517-F520 HydrophobicContact CB-CD2 3.53Å; H517-F520 HydrophobicContact CB-CE2 3.88Å; H517-F520 HydrophobicContact CB-CG 4.41Å; H517-F520 AromaticContact CD2-CE2 3.84Å; H517-F520 AromaticContact CG-CE2 3.98Å; H517-F520 PolarHBondContact O-N 2.84Å; H517-I521 PolarHBondContact O-N 2.81Å
518	V	74.8	Confident	86.3	Confident	16 Å²	16	26 Å²	26	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-26.6	-178.3	-177.1	0	0	0	0	110.2	R516 I521 A522 T798 Q850	R516-V518 PolarHBondContact O-N 3.18Å; V518-I521 PolarHBondContact O-N 2.72Å; V518-A522 VanDerWaalsContact O-CB 3.31Å; V518-A522 WeakPolarHBondContact O-CB 3.44Å; V518-A522 PolarHBondContact O-N 2.82Å; V518-T798 HydrophobicContact CB-CG2 4.3Å; V518-T798 HydrophobicContact CG1-CG2 3.81Å; V518-Q850 VanDerWaalsContact CG2-NE2 3.25Å
519	E	81.6	Confident	86.1	Confident	73 Å²	73	27 Å²	27	34%	0.341	13%	0.13	S	C	.	.	H	α-helix	trans	-59.6	-53.1	176.7	-57.8	82.1	179.4	0	0	111.8	H517 I521 A522 E523 L794	H517-E519 WeakPolarHBondContact CA-OE2 3.48Å; H517-E519 WeakPolarHBondContact CB-OE2 3.38Å; H517-E519 PolarHBondContact O-N 3.24Å; H517-E519 VanDerWaalsContact O-N 3.16Å; E519-I521 PolarHBondContact O-N 2.66Å; E519-A522 CarbonylContact O-C 3.58Å; E519-A522 PolarHBondContact O-N 3.32Å; E519-A522 VanDerWaalsContact O-N 3.12Å; E519-E523 VanDerWaalsContact O-CG 3.31Å; E519-E523 WeakPolarHBondContact O-CG 3.24Å; E519-E523 PolarHBondContact O-N 3.25Å; E519-L794 HydrophobicContact CB-CD1 4.47Å
520	F	85.4	Confident	85.9	Confident	68 Å²	68	27.1 Å²	27.1	30%	0.298	13%	0.132	S	C	.	.	H	α-helix	trans	-63.7	-33.8	179.1	-64.8	-50.3	0	0	0	112.3	L512 P513 H517 E523 L524 L629	L512-F520 HydrophobicContact CD1-CB 4Å; P513-F520 HydrophobicContact CB-CD2 4.33Å; P513-F520 HydrophobicContact CG-CD2 3.83Å; P513-F520 HydrophobicContact CG-CE2 4.13Å; P513-F520 HydrophobicContact CG-CG 4.23Å; H517-F520 HydrophobicContact CB-CD2 3.53Å; H517-F520 HydrophobicContact CB-CE2 3.88Å; H517-F520 HydrophobicContact CB-CG 4.41Å; H517-F520 AromaticContact CD2-CE2 3.84Å; H517-F520 AromaticContact CG-CE2 3.98Å; H517-F520 PolarHBondContact O-N 2.84Å; F520-E523 VanDerWaalsContact CD1-OE2 3.31Å; F520-E523 WeakPolarHBondContact CD1-OE2 3.42Å; F520-L524 VanDerWaalsContact O-CB 3.29Å; F520-L524 WeakPolarHBondContact O-CB 3.41Å; F520-L524 PolarHBondContact O-N 3.31Å; F520-L629 HydrophobicContact CB-CD1 4Å
521	I	84.2	Confident	85.8	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-68.8	-40.9	177.2	-65.5	-177.9	0	0	0	109.9	L512 H517 V518 E519 A525 W842 Y846	L512-I521 HydrophobicContact CD1-CG1 3.92Å; L512-I521 HydrophobicContact CD2-CG1 4.39Å; H517-I521 PolarHBondContact O-N 2.81Å; V518-I521 PolarHBondContact O-N 2.72Å; E519-I521 PolarHBondContact O-N 2.66Å; I521-A525 VanDerWaalsContact O-CB 3.23Å; I521-A525 WeakPolarHBondContact O-CB 3.48Å; I521-A525 PolarHBondContact O-N 2.96Å; I521-W842 HydrophobicContact CB-CH2 4.49Å; I521-W842 HydrophobicContact CG2-CH2 3.16Å; I521-W842 HydrophobicContact CG2-CZ2 3.94Å; I521-W842 HydrophobicContact CG2-CZ3 3.8Å; I521-Y846 HydrophobicContact CD1-CD1 3.97Å; I521-Y846 HydrophobicContact CD1-CE1 3.26Å; I521-Y846 HydrophobicContact CG1-CE1 4.42Å; I521-Y846 HydrophobicContact CG2-CD1 3.93Å; I521-Y846 HydrophobicContact CG2-CD2 4.16Å; I521-Y846 HydrophobicContact CG2-CE1 3.85Å; I521-Y846 HydrophobicContact CG2-CE2 4.05Å; I521-Y846 HydrophobicContact CG2-CG 4.08Å
522	A	85.1	Confident	85.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-39.1	175.1	0	0	0	0	0	112.8	V518 E519 A525 A526 L794 F843	V518-A522 VanDerWaalsContact O-CB 3.31Å; V518-A522 WeakPolarHBondContact O-CB 3.44Å; V518-A522 PolarHBondContact O-N 2.82Å; E519-A522 CarbonylContact O-C 3.58Å; E519-A522 PolarHBondContact O-N 3.32Å; E519-A522 VanDerWaalsContact O-N 3.12Å; A522-A525 PolarHBondContact O-N 3.29Å; A522-A526 WeakPolarHBondContact O-CB 2.97Å; A522-A526 PolarHBondContact O-N 2.99Å; A522-L794 HydrophobicContact CB-CD2 3.7Å; A522-F843 HydrophobicContact CB-CE1 4.17Å
523	E	90.8	Very high	85.6	Confident	12 Å²	12	28 Å²	28	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-49.2	173.5	-71.8	174.1	154.6	0	0	110.7	E519 F520 A525 F527 L528 L629 D630 K790 L794	E519-E523 VanDerWaalsContact O-CG 3.31Å; E519-E523 WeakPolarHBondContact O-CG 3.24Å; E519-E523 PolarHBondContact O-N 3.25Å; F520-E523 VanDerWaalsContact CD1-OE2 3.31Å; F520-E523 WeakPolarHBondContact CD1-OE2 3.42Å; E523-A525 VanDerWaalsContact C-N 3.33Å; E523-A525 PolarHBondContact O-N 2.73Å; E523-F527 HydrophobicContact CB-CD2 4.12Å; E523-F527 HydrophobicContact CB-CE2 4.36Å; E523-F527 HydrophobicContact CG-CD2 4.11Å; E523-F527 HydrophobicContact CG-CE2 3.87Å; E523-F527 WeakPolarHBondContact O-CA 3.34Å; E523-F527 VanDerWaalsContact O-CB 3.29Å; E523-F527 WeakPolarHBondContact O-CB 3.46Å; E523-F527 PolarHBondContact O-N 3.03Å; E523-L528 PolarHBondContact O-N 3.03Å; E523-L629 HydrophobicContact CB-CB 4.29Å; E523-D630 HydrophobicContact CB-CB 4.43Å; E523-D630 HydrophobicContact CG-CB 4.14Å; E523-K790 WeakPolarHBondContact OE1-CD 3.48Å; E523-K790 IonicContact OE1-NZ 2.85Å; E523-K790 PolarHBondContact OE1-NZ 3.49Å; E523-L794 HydrophobicContact CG-CD1 4Å; E523-L794 HydrophobicContact CG-CD2 4.01Å
524	L	92.3	Very high	85.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.125	C	C	.	.	I	π-helix	trans	-55.9	-47.8	174.7	171.8	61.8	0	0	0	111.4	L512 F520 L528 Y529 I558 L569 L629	L512-L524 HydrophobicContact CB-CD2 4.43Å; L512-L524 HydrophobicContact CD1-CD2 4.32Å; L512-L524 HydrophobicContact CD2-CD2 4.19Å; F520-L524 VanDerWaalsContact O-CB 3.29Å; F520-L524 WeakPolarHBondContact O-CB 3.41Å; F520-L524 PolarHBondContact O-N 3.31Å; L524-L528 HydrophobicContact CD1-CB 4.48Å; L524-L528 HydrophobicContact CD1-CD2 4.08Å; L524-L528 HydrophobicContact CD1-CG 4.48Å; L524-Y529 WeakPolarHBondContact O-CB 2.99Å; L524-Y529 PolarHBondContact O-N 3.12Å; L524-I558 HydrophobicContact CD1-CD1 3.92Å; L524-I558 HydrophobicContact CD1-CG1 4.05Å; L524-I558 HydrophobicContact CD2-CD1 4.22Å; L524-I558 HydrophobicContact CD2-CG2 4.03Å; L524-L569 HydrophobicContact CD2-CD1 4.18Å; L524-L569 HydrophobicContact CG-CD1 3.91Å; L524-L629 HydrophobicContact CB-CD1 4.33Å; L524-L629 HydrophobicContact CB-CD2 4.24Å; L524-L629 HydrophobicContact CD1-CD2 3.98Å
525	A	90.7	Very high	85.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	I	π-helix	trans	-70.4	-54.5	-176.2	0	0	0	0	0	112.9	I521 A522 E523 S530 L569 L839 W842 F843	I521-A525 VanDerWaalsContact O-CB 3.23Å; I521-A525 WeakPolarHBondContact O-CB 3.48Å; I521-A525 PolarHBondContact O-N 2.96Å; A522-A525 PolarHBondContact O-N 3.29Å; E523-A525 VanDerWaalsContact C-N 3.33Å; E523-A525 PolarHBondContact O-N 2.73Å; A525-S530 WeakPolarHBondContact O-CB 3.42Å; A525-S530 PolarHBondContact O-N 3.44Å; A525-S530 VanDerWaalsContact O-N 3.17Å; A525-S530 PolarHBondContact O-OG 3Å; A525-L569 HydrophobicContact CB-CD2 3.78Å; A525-L839 HydrophobicContact CB-CD1 3.89Å; A525-L839 WeakPolarHBondContact O-CD1 3.06Å; A525-W842 HydrophobicContact CB-CE3 4.11Å; A525-W842 HydrophobicContact CB-CH2 3.68Å; A525-W842 HydrophobicContact CB-CZ3 3.36Å; A525-F843 HydrophobicContact CB-CE1 4.07Å; A525-F843 HydrophobicContact CB-CZ 3.88Å
526	A	90.1	Very high	86.2	Confident	0 Å²	0	26 Å²	26	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-82.1	-27	-170.6	0	0	0	0	0	113.8	A522 S530 F793 A835 F843	A522-A526 WeakPolarHBondContact O-CB 2.97Å; A522-A526 PolarHBondContact O-N 2.99Å; A526-S530 WeakPolarHBondContact O-CB 3.36Å; A526-F793 HydrophobicContact CB-CE1 3.42Å; A526-F793 VanDerWaalsContact CB-CE1 3.42Å; A526-F793 HydrophobicContact CB-CZ 3.52Å; A526-A835 HydrophobicContact CB-CB 4.07Å; A526-F843 HydrophobicContact CB-CZ 4.19Å
527	F	94.4	Very high	86.8	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-105.9	-67.9	-175.4	-49.4	-21.5	0	0	0	110.4	E523 S531 V631 F632 T781 F788 K790 F793 L794 A832	E523-F527 HydrophobicContact CB-CD2 4.12Å; E523-F527 HydrophobicContact CB-CE2 4.36Å; E523-F527 HydrophobicContact CG-CD2 4.11Å; E523-F527 HydrophobicContact CG-CE2 3.87Å; E523-F527 WeakPolarHBondContact O-CA 3.34Å; E523-F527 VanDerWaalsContact O-CB 3.29Å; E523-F527 WeakPolarHBondContact O-CB 3.46Å; E523-F527 PolarHBondContact O-N 3.03Å; F527-S531 WeakPolarHBondContact O-CB 3.44Å; F527-S531 PolarHBondContact O-N 2.89Å; F527-S531 PolarHBondContact O-OG 3.39Å; F527-V631 CarbonylContact C-O 3.46Å; F527-V631 VanDerWaalsContact CB-O 3.25Å; F527-V631 WeakPolarHBondContact CB-O 3.41Å; F527-F632 HydrophobicContact CB-CD1 4.19Å; F527-F632 HydrophobicContact CB-CD2 4.28Å; F527-F632 HydrophobicContact CB-CE1 3.89Å; F527-F632 HydrophobicContact CB-CE2 3.99Å; F527-F632 HydrophobicContact CB-CG 4.38Å; F527-F632 HydrophobicContact CB-CZ 3.79Å; F527-F632 AromaticContact CD1-CE1 3.77Å; F527-F632 HydrophobicContact CD1-CE1 3.77Å; F527-F632 AromaticContact CD1-CE2 3.99Å; F527-F632 HydrophobicContact CD1-CE2 3.99Å; F527-F632 AromaticContact CD1-CZ 3.26Å; F527-F632 HydrophobicContact CD1-CZ 3.26Å; F527-F632 HydrophobicContact CD2-CE2 4.4Å; F527-F632 HydrophobicContact CD2-CZ 4.44Å; F527-F632 AromaticContact CE1-CZ 3.97Å; F527-F632 HydrophobicContact CE1-CZ 3.97Å; F527-F632 HydrophobicContact CG-CE1 4.1Å; F527-F632 AromaticContact CG-CE2 3.88Å; F527-F632 HydrophobicContact CG-CE2 3.88Å; F527-F632 AromaticContact CG-CZ 3.58Å; F527-F632 HydrophobicContact CG-CZ 3.58Å; F527-T781 HydrophobicContact CD2-CG2 4.44Å; F527-F788 HydrophobicContact CD1-CZ 4.19Å; F527-F788 HydrophobicContact CE1-CE1 4.48Å; F527-F788 HydrophobicContact CE1-CE2 4.35Å; F527-F788 AromaticContact CE1-CZ 3.55Å; F527-F788 HydrophobicContact CE1-CZ 3.55Å; F527-F788 HydrophobicContact CE2-CZ 4.46Å; F527-F788 HydrophobicContact CZ-CE1 4.34Å; F527-F788 AromaticContact CZ-CZ 3.71Å; F527-F788 HydrophobicContact CZ-CZ 3.71Å; F527-K790 HydrophobicContact CE2-CD 3.94Å; F527-K790 HydrophobicContact CE2-CG 3.89Å; F527-K790 HydrophobicContact CZ-CG 4.19Å; F527-F793 AromaticContact CE1-CD1 3.47Å; F527-F793 HydrophobicContact CE1-CD1 3.47Å; F527-F793 VanDerWaalsContact CE1-CD1 3.47Å; F527-F793 AromaticContact CE1-CE1 3.58Å; F527-F793 HydrophobicContact CE1-CE1 3.58Å; F527-F793 HydrophobicContact CE1-CG 4.23Å; F527-F793 HydrophobicContact CE1-CZ 4.41Å; F527-F793 AromaticContact CZ-CD1 3.61Å; F527-F793 HydrophobicContact CZ-CD1 3.61Å; F527-F793 HydrophobicContact CZ-CE1 4.08Å; F527-F793 HydrophobicContact CZ-CG 4.43Å; F527-L794 HydrophobicContact CZ-CD2 4.47Å; F527-A832 HydrophobicContact CD1-CB 4.04Å; F527-A832 HydrophobicContact CE1-CB 3.84Å
528	L	95.8	Very high	86.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-69.2	-53.6	-172.3	177.4	55.1	0	0	0	112.2	V508 E523 L524 S531 W532 L556 L629 V631 L633	V508-L528 HydrophobicContact CG1-CD1 4.11Å; E523-L528 PolarHBondContact O-N 3.03Å; L524-L528 HydrophobicContact CD1-CB 4.48Å; L524-L528 HydrophobicContact CD1-CD2 4.08Å; L524-L528 HydrophobicContact CD1-CG 4.48Å; L528-S531 PolarHBondContact O-OG 2.9Å; L528-W532 WeakPolarHBondContact O-CB 3.39Å; L528-W532 PolarHBondContact O-N 3.25Å; L528-L556 HydrophobicContact CD1-CD1 4Å; L528-L556 HydrophobicContact CD2-CD1 3.94Å; L528-L556 HydrophobicContact CG-CD1 3.81Å; L528-L629 HydrophobicContact CD2-CD2 4.05Å; L528-V631 WeakPolarHBondContact CA-O 3.22Å; L528-V631 HydrophobicContact CB-CG2 4.41Å; L528-V631 HydrophobicContact CD1-CG2 3.96Å; L528-V631 PolarHBondContact N-O 2.68Å; L528-V631 VanDerWaalsContact N-O 3.15Å; L528-L633 HydrophobicContact CD1-CD1 4.16Å; L528-L633 HydrophobicContact CD1-CD2 4.16Å; L528-L633 HydrophobicContact CD1-CG 3.97Å
529	Y	95.3	Very high	85.1	Confident	22 Å²	22	20.5 Å²	20.5	9%	0.086	10%	0.1	C	C	.	.	I	π-helix	trans	-65.9	-47.7	179.9	170.6	-92.3	0	0	0	111.9	L524 S531 W532 T533 L556 L569 P570 L839	L524-Y529 WeakPolarHBondContact O-CB 2.99Å; L524-Y529 PolarHBondContact O-N 3.12Å; Y529-S531 VanDerWaalsContact C-N 3.33Å; Y529-S531 PolarHBondContact O-N 3.25Å; Y529-W532 HydrophobicContact CD2-CE3 4.39Å; Y529-W532 HydrophobicContact CE2-CE3 4.35Å; Y529-W532 HydrophobicContact CE2-CZ3 4.35Å; Y529-W532 CarbonylContact O-C 3.58Å; Y529-W532 WeakPolarHBondContact O-CA 3.47Å; Y529-W532 WeakPolarHBondContact O-CB 3.3Å; Y529-W532 PolarHBondContact O-N 3.23Å; Y529-W532 VanDerWaalsContact O-N 3.09Å; Y529-T533 HydrophobicContact CD1-CG2 4.16Å; Y529-T533 HydrophobicContact CD2-CG2 4.37Å; Y529-T533 HydrophobicContact CE1-CG2 3.6Å; Y529-T533 HydrophobicContact CE2-CG2 3.86Å; Y529-T533 HydrophobicContact CG-CG2 4.5Å; Y529-T533 VanDerWaalsContact CZ-CG2 3.43Å; Y529-T533 PolarHBondContact O-N 3.48Å; Y529-T533 PolarHBondContact O-OG1 2.82Å; Y529-L556 HydrophobicContact CD2-CD2 4.12Å; Y529-L569 HydrophobicContact CD1-CD1 4.36Å; Y529-L569 HydrophobicContact CD1-CD2 4.23Å; Y529-L569 HydrophobicContact CD2-CB 4.05Å; Y529-L569 HydrophobicContact CD2-CD1 3.87Å; Y529-L569 HydrophobicContact CD2-CG 4.47Å; Y529-L569 HydrophobicContact CE2-CB 4.01Å; Y529-L569 HydrophobicContact CG-CB 4.42Å; Y529-L569 HydrophobicContact CG-CD1 3.72Å; Y529-L569 HydrophobicContact CG-CD2 4.4Å; Y529-L569 HydrophobicContact CG-CG 4.41Å; Y529-P570 PolarHBondContact OH-O 3.15Å; Y529-L839 HydrophobicContact CD1-CD1 3.95Å; Y529-L839 HydrophobicContact CD1-CD2 4.49Å; Y529-L839 HydrophobicContact CE1-CD1 4.18Å; Y529-L839 HydrophobicContact CE1-CD2 3.94Å
530	S	92.6	Very high	83.4	Confident	4 Å²	4	18.6 Å²	18.6	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-31	-176.9	-63.7	0	0	0	0	113.3	A525 A526 T533 N534 A835	A525-S530 WeakPolarHBondContact O-CB 3.42Å; A525-S530 PolarHBondContact O-N 3.44Å; A525-S530 VanDerWaalsContact O-N 3.17Å; A525-S530 PolarHBondContact O-OG 3Å; A526-S530 WeakPolarHBondContact O-CB 3.36Å; S530-T533 WeakPolarHBondContact CA-OG1 3.26Å; S530-T533 PolarHBondContact O-OG1 3.38Å; S530-N534 WeakPolarHBondContact O-CB 3.16Å; S530-N534 PolarHBondContact O-N 2.9Å; S530-N534 VanDerWaalsContact O-N 3.09Å; S530-A835 WeakPolarHBondContact OG-CB 3.32Å
531	S	93.9	Very high	81.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.9	-38.3	169.8	60.1	0	0	0	0	111.7	F527 L528 Y529 N534 I535 L633	F527-S531 WeakPolarHBondContact O-CB 3.44Å; F527-S531 PolarHBondContact O-N 2.89Å; F527-S531 PolarHBondContact O-OG 3.39Å; L528-S531 PolarHBondContact O-OG 2.9Å; Y529-S531 VanDerWaalsContact C-N 3.33Å; Y529-S531 PolarHBondContact O-N 3.25Å; S531-N534 PolarHBondContact O-N 3.25Å; S531-I535 WeakPolarHBondContact O-CG2 3.44Å; S531-I535 PolarHBondContact O-N 3.45Å; S531-L633 WeakPolarHBondContact CB-O 3.24Å; S531-L633 PolarHBondContact OG-N 3.17Å
532	W	94.1	Very high	79.1	Confident	24 Å²	24	19 Å²	19	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-42.3	174	176.4	87.4	0	0	0	112.5	L528 Y529 I535 H536 I554 L556 P586 Q587 C588 L633	L528-W532 WeakPolarHBondContact O-CB 3.39Å; L528-W532 PolarHBondContact O-N 3.25Å; Y529-W532 HydrophobicContact CD2-CE3 4.39Å; Y529-W532 HydrophobicContact CE2-CE3 4.35Å; Y529-W532 HydrophobicContact CE2-CZ3 4.35Å; Y529-W532 CarbonylContact O-C 3.58Å; Y529-W532 WeakPolarHBondContact O-CA 3.47Å; Y529-W532 WeakPolarHBondContact O-CB 3.3Å; Y529-W532 PolarHBondContact O-N 3.23Å; Y529-W532 VanDerWaalsContact O-N 3.09Å; W532-I535 WeakPolarHBondContact O-CG1 3.36Å; W532-H536 AromaticContact CD1-CE1 3.59Å; W532-H536 AromaticContact CD1-ND1 3.93Å; W532-H536 AromaticContact CD2-ND1 3.93Å; W532-H536 AromaticContact CE2-CE1 3.62Å; W532-H536 AromaticContact CE2-ND1 3.63Å; W532-H536 AromaticContact NE1-CE1 3.2Å; W532-H536 PolarHBondContact NE1-CE1 2.97Å; W532-H536 AromaticContact NE1-ND1 3.65Å; W532-H536 PolarHBondContact O-ND1 3Å; W532-I554 PolarHBondContact NE1-O 2.82Å; W532-L556 HydrophobicContact CB-CD2 4.32Å; W532-L556 HydrophobicContact CD2-CB 4.03Å; W532-L556 HydrophobicContact CD2-CD2 4.47Å; W532-L556 HydrophobicContact CG-CB 3.99Å; W532-L556 HydrophobicContact CG-CD2 4.31Å; W532-P586 HydrophobicContact CZ2-CB 3.88Å; W532-Q587 VanDerWaalsContact CZ2-C 3.46Å; W532-Q587 WeakPolarHBondContact CZ2-O 3.29Å; W532-C588 HydrophobicContact CH2-CB 4.01Å; W532-C588 HydrophobicContact CZ3-CB 4.01Å; W532-L633 HydrophobicContact CB-CD1 3.97Å; W532-L633 HydrophobicContact CG-CD1 4.48Å
533	T	89.6	Confident	76.7	Confident	17 Å²	17	25 Å²	25	10%	0.104	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-48.2	174.7	57	0	0	0	0	110.3	Y529 S530 I535 H536 E537	Y529-T533 HydrophobicContact CD1-CG2 4.16Å; Y529-T533 HydrophobicContact CD2-CG2 4.37Å; Y529-T533 HydrophobicContact CE1-CG2 3.6Å; Y529-T533 HydrophobicContact CE2-CG2 3.86Å; Y529-T533 HydrophobicContact CG-CG2 4.5Å; Y529-T533 VanDerWaalsContact CZ-CG2 3.43Å; Y529-T533 PolarHBondContact O-N 3.48Å; Y529-T533 PolarHBondContact O-OG1 2.82Å; S530-T533 WeakPolarHBondContact CA-OG1 3.26Å; S530-T533 PolarHBondContact O-OG1 3.38Å; T533-I535 PolarHBondContact O-N 3.02Å; T533-H536 PolarHBondContact O-N 3.42Å; T533-E537 VanDerWaalsContact C-OE2 3.23Å; T533-E537 WeakPolarHBondContact CB-OE2 3.49Å; T533-E537 PolarHBondContact O-N 3.3Å; T533-E537 VanDerWaalsContact O-OE2 3.06Å
534	N	86.3	Confident	74.2	Confident	1 Å²	1	32 Å²	32	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-44.8	-177.3	-168.8	82.8	0	0	0	113.1	S530 S531 H536 E537 E538 I831	S530-N534 WeakPolarHBondContact O-CB 3.16Å; S530-N534 PolarHBondContact O-N 2.9Å; S530-N534 VanDerWaalsContact O-N 3.09Å; S531-N534 PolarHBondContact O-N 3.25Å; N534-H536 PolarHBondContact O-N 3.21Å; N534-E537 PolarHBondContact O-N 3.43Å; N534-E538 PolarHBondContact ND2-OE2 3.49Å; N534-E538 WeakPolarHBondContact O-CB 3.28Å; N534-E538 PolarHBondContact O-N 2.86Å; N534-I831 HydrophobicContact CB-CD1 3.47Å; N534-I831 VanDerWaalsContact CB-CD1 3.47Å
535	I	83.4	Confident	71.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-35.5	179	64.4	173.3	0	0	0	111.4	K499 S531 W532 T533 I554 L633 S634 P635 L638	K499-I535 PolarHBondContact NZ-O 3.31Å; S531-I535 WeakPolarHBondContact O-CG2 3.44Å; S531-I535 PolarHBondContact O-N 3.45Å; W532-I535 WeakPolarHBondContact O-CG1 3.36Å; T533-I535 PolarHBondContact O-N 3.02Å; I535-I554 HydrophobicContact CD1-CD1 3.69Å; I535-L633 HydrophobicContact CD1-CB 4.35Å; I535-L633 HydrophobicContact CD1-CD1 4.47Å; I535-S634 VanDerWaalsContact CG2-C 3.44Å; I535-P635 HydrophobicContact CG2-CB 4.35Å; I535-P635 HydrophobicContact CG2-CG 4.15Å; I535-L638 HydrophobicContact CB-CD1 4.37Å; I535-L638 VanDerWaalsContact O-CD1 3.23Å; I535-L638 WeakPolarHBondContact O-CD1 3.5Å
536	H	77.9	Confident	69.4	Low	21 Å²	21	43.3 Å²	43.3	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-76.9	-27.5	179.8	-69.4	104.1	0	0	0	113	K499 F501 W532 T533 N534 I554 P586	K499-H536 WeakPolarHBondContact CD-O 3.46Å; K499-H536 WeakPolarHBondContact CE-O 3.25Å; K499-H536 PolarHBondContact NZ-O 2.64Å; F501-H536 AromaticContact CE1-CD2 3.91Å; F501-H536 AromaticContact CZ-CD2 3.99Å; W532-H536 AromaticContact CD1-CE1 3.59Å; W532-H536 AromaticContact CD1-ND1 3.93Å; W532-H536 AromaticContact CD2-ND1 3.93Å; W532-H536 AromaticContact CE2-CE1 3.62Å; W532-H536 AromaticContact CE2-ND1 3.63Å; W532-H536 AromaticContact NE1-CE1 3.2Å; W532-H536 PolarHBondContact NE1-CE1 2.97Å; W532-H536 AromaticContact NE1-ND1 3.65Å; W532-H536 PolarHBondContact O-ND1 3Å; T533-H536 PolarHBondContact O-N 3.42Å; N534-H536 PolarHBondContact O-N 3.21Å; H536-I554 PolarHBondContact CE1-O 2.89Å; H536-I554 VanDerWaalsContact CE1-O 3.27Å; H536-I554 PolarHBondContact NE2-O 2.88Å; H536-P586 WeakPolarHBondContact CD2-CG 3.21Å; H536-P586 WeakPolarHBondContact NE2-CG 3.1Å
537	E	71.8	Confident	67.1	Low	88 Å²	88	53.8 Å²	53.8	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-94.2	-33.2	-175.4	-67	163.5	120.3	0	0	113.2	T533 N534 R816	T533-E537 VanDerWaalsContact C-OE2 3.23Å; T533-E537 WeakPolarHBondContact CB-OE2 3.49Å; T533-E537 PolarHBondContact O-N 3.3Å; T533-E537 VanDerWaalsContact O-OE2 3.06Å; N534-E537 PolarHBondContact O-N 3.43Å; E537-R816 IonicContact OE1-CZ 3.7Å; E537-R816 IonicContact OE1-NH1 2.8Å; E537-R816 PolarHBondContact OE1-NH1 3.15Å; E537-R816 IonicContact OE1-NH2 3.54Å; E537-R816 PolarHBondContact OE1-NH2 3.32Å; E537-R816 IonicContact OE2-CZ 3.79Å; E537-R816 IonicContact OE2-NE 3.24Å; E537-R816 IonicContact OE2-NH1 3.57Å; E537-R816 PolarHBondContact OE2-NH1 3.48Å; E537-R816 IonicContact OE2-NH2 3.86Å; E537-R816 PolarHBondContact OE2-NH2 2.83Å
538	E	61.7	Low	64.8	Low	29 Å²	29	60.9 Å²	60.9	14%	0.136	33%	0.327	C	S	.	.			trans	-96.3	134.5	-172.6	-164.8	173.2	-134.1	0	0	115.2	K499 N534 M817 P818 V819	K499-E538 WeakPolarHBondContact CE-O 3.17Å; K499-E538 VanDerWaalsContact NZ-C 3.33Å; K499-E538 PolarHBondContact NZ-O 2.92Å; N534-E538 PolarHBondContact ND2-OE2 3.49Å; N534-E538 WeakPolarHBondContact O-CB 3.28Å; N534-E538 PolarHBondContact O-N 2.86Å; E538-M817 WeakPolarHBondContact OE1-CA 3.48Å; E538-M817 PolarHBondContact OE1-N 2.9Å; E538-P818 VanDerWaalsContact OE1-CA 3.26Å; E538-P818 WeakPolarHBondContact OE1-CA 3.47Å; E538-V819 WeakPolarHBondContact OE2-CG1 3.25Å; E538-V819 WeakPolarHBondContact OE2-CG2 3.42Å; E538-V819 PolarHBondContact OE2-N 3.17Å
539	T	50.9	Low	62.7	Low	65 Å²	65	64.7 Å²	64.7	40%	0.399	35%	0.346	S	S	.	.			trans	-112	75.2	176.4	45.8	0	0	0	0	112.9	K499 L541	K499-T539 HydrophobicContact CD-CG2 3.78Å; K499-T539 HydrophobicContact CG-CG2 3.39Å; T539-L541 PolarHBondContact O-N 2.82Å
540	G	45.4	Very low	61.2	Low	33 Å²	33	66 Å²	66	34%	0.34	36%	0.359	S	S	.	.			trans	-73.2	-11.2	157.9	0	0	0	0	0	113.1	A542 N820	G540-A542 PolarHBondContact O-N 2.93Å; G540-N820 WeakPolarHBondContact CA-ND2 3.22Å; G540-N820 PolarHBondContact O-ND2 3.37Å
541	L	45.6	Very low	60.4	Low	25 Å²	25	68 Å²	68	13%	0.131	37%	0.366	C	S	.	.	S	Bend	trans	-86.9	94.9	180	-65.9	170	0	0	0	108.3	T539 Y551 T639 N820	T539-L541 PolarHBondContact O-N 2.82Å; L541-Y551 HydrophobicContact CD1-CE1 3.81Å; L541-T639 HydrophobicContact CD1-CG2 3.99Å; L541-N820 PolarHBondContact N-ND2 3.13Å
542	A	34.2	Very low	60	Low	56 Å²	56	68 Å²	68	46%	0.463	37%	0.366	S	S	.	.			trans	-48.1	136.3	179.2	0	0	0	0	0	111.8	G540 N544 R545	G540-A542 PolarHBondContact O-N 2.93Å; A542-N544 PolarHBondContact O-N 3.12Å; A542-R545 PolarHBondContact O-N 3.32Å
543	P	34.9	Very low	59.7	Low	125 Å²	125	67.4 Å²	67.4	81%	0.812	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-9	174.1	-17.1	28.1	0	0	0	113.8	R545	P543-R545 PolarHBondContact O-N 3.25Å
544	N	36.6	Very low	59.9	Low	161 Å²	161	66.6 Å²	66.6	86%	0.861	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-1.1	178.1	-86.9	-1.7	0	0	0	114.2	A542 S546	A542-N544 PolarHBondContact O-N 3.12Å; N544-S546 PolarHBondContact O-N 2.99Å
545	R	43	Very low	60.4	Low	163 Å²	163	66.5 Å²	66.5	62%	0.615	36%	0.359	S	S	*	.	S	Bend	trans	-80.5	105.6	163.1	-70	-171.9	178.2	-172.3	0.8	107.5	A542 P543 L549	A542-R545 PolarHBondContact O-N 3.32Å; P543-R545 PolarHBondContact O-N 3.25Å; R545-L549 HydrophobicContact CB-CD1 4.09Å
546	S	39.7	Very low	61.1	Low	74 Å²	74	66.5 Å²	66.5	52%	0.517	36%	0.359	S	S	.	.			trans	9	133.3	170.6	57	0	0	0	0	117.2	N544 D548 L549	N544-S546 PolarHBondContact O-N 2.99Å; S546-D548 PolarHBondContact O-N 3.31Å; S546-L549 PolarHBondContact O-N 2.94Å
547	K	41.3	Very low	62	Low	220 Å²	220	65.5 Å²	65.5	96%	0.957	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-2.4	172	-83.8	179.6	172.5	179.1	0	116.7
548	D	46	Very low	63.2	Low	150 Å²	150	61.3 Å²	61.3	80%	0.802	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.3	-177.3	-80.7	-27.7	0	0	0	115.8	S546 S550	S546-D548 PolarHBondContact O-N 3.31Å; D548-S550 PolarHBondContact O-N 3.1Å
549	L	52.3	Low	64.9	Low	79 Å²	79	59.9 Å²	59.9	41%	0.414	33%	0.328	S	S	.	.			trans	-89.1	94.8	179.6	-87.4	153.7	0	0	0	111.7	R545 S546	R545-L549 HydrophobicContact CB-CD1 4.09Å; S546-L549 PolarHBondContact O-N 2.94Å
550	S	64.8	Low	67	Low	50 Å²	50	56.9 Å²	56.9	35%	0.35	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-77.6	120.7	173.3	74	0	0	0	0	111.1	G502 G503 D548 R641	G502-S550 VanDerWaalsContact C-OG 3.22Å; G502-S550 WeakPolarHBondContact O-CB 3.4Å; G502-S550 PolarHBondContact O-OG 2.94Å; G503-S550 WeakPolarHBondContact CA-O 3.31Å; G503-S550 VanDerWaalsContact CA-OG 3.24Å; G503-S550 WeakPolarHBondContact CA-OG 3.19Å; G503-S550 PolarHBondContact N-OG 2.64Å; D548-S550 PolarHBondContact O-N 3.1Å; S550-R641 PolarHBondContact O-NH2 3.41Å
551	Y	76	Confident	69.2	Low	46 Å²	46	57.8 Å²	57.8	18%	0.18	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.5	135.8	-178.9	-69.6	-68.9	0	0	0	112.1	L500 G502 G503 L541 L638 T639	L500-Y551 WeakPolarHBondContact O-CD2 3.41Å; G502-Y551 PolarHBondContact N-O 3.49Å; G503-Y551 WeakPolarHBondContact CA-O 3.4Å; G503-Y551 PolarHBondContact N-O 3.06Å; L541-Y551 HydrophobicContact CD1-CE1 3.81Å; Y551-L638 CarbonylContact C-O 3.6Å; Y551-L638 WeakPolarHBondContact CA-O 3.3Å; Y551-L638 HydrophobicContact CD1-CB 3.91Å; Y551-T639 HydrophobicContact CD1-CG2 3.69Å; Y551-T639 HydrophobicContact CE1-CG2 3.56Å
552	N	85.6	Confident	71.1	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-56.5	138.5	173	-63.5	-26.2	0	0	0	110.3	L504 I506 I554 L637 L638 Y640 R641	L504-N552 HydrophobicContact CB-CB 4.48Å; L504-N552 WeakPolarHBondContact CB-OD1 3.5Å; L504-N552 PolarHBondContact N-OD1 3.24Å; L504-N552 CarbonylContact O-C 3.47Å; L504-N552 VanDerWaalsContact O-CA 3.29Å; L504-N552 WeakPolarHBondContact O-CA 3.37Å; L504-N552 WeakPolarHBondContact O-CB 3.16Å; I506-N552 HydrophobicContact CD1-CB 3.98Å; N552-I554 HydrophobicContact CB-CG1 4.29Å; N552-L637 PolarHBondContact ND2-O 2.75Å; N552-L638 WeakPolarHBondContact CB-O 3.28Å; N552-L638 PolarHBondContact N-O 3.39Å; N552-L638 PolarHBondContact ND2-O 3.45Å; N552-Y640 PolarHBondContact ND2-O 2.83Å; N552-R641 VanDerWaalsContact CG-NH1 3.34Å; N552-R641 PolarHBondContact ND2-NH1 3.12Å; N552-R641 PolarHBondContact OD1-NH1 2.81Å
553	K	87.8	Confident	73.5	Confident	11 Å²	11	64.7 Å²	64.7	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117	167.8	-175.2	-148.7	-178.5	-148.8	0	107.7	L504 K505 I506 D555 K582 K585 P586	L504-K553 PolarHBondContact O-N 2.99Å; K505-K553 WeakPolarHBondContact CA-O 3.24Å; K505-K553 HydrophobicContact CG-CD 4.34Å; I506-K553 PolarHBondContact N-O 2.91Å; K553-D555 WeakPolarHBondContact CE-OD1 3.09Å; K553-D555 VanDerWaalsContact NZ-CG 3.3Å; K553-D555 IonicContact NZ-OD1 3.55Å; K553-D555 PolarHBondContact NZ-OD1 3.05Å; K553-D555 VanDerWaalsContact NZ-OD1 3.17Å; K553-D555 IonicContact NZ-OD2 2.7Å; K553-D555 PolarHBondContact NZ-OD2 3.37Å; K553-K582 VanDerWaalsContact CE-O 3.3Å; K553-K582 WeakPolarHBondContact CE-O 3.46Å; K553-K582 PolarHBondContact NZ-O 3.16Å; K553-K585 VanDerWaalsContact CE-C 3.41Å; K553-K585 WeakPolarHBondContact CE-O 3.4Å; K553-P586 HydrophobicContact CG-CG 4.47Å
554	I	93	Very high	75.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.4	-177.5	-55.2	162.5	0	0	0	108	I506 V508 W532 I535 H536 N552 L637 L638	I506-I554 HydrophobicContact CB-CG1 4.33Å; I506-I554 HydrophobicContact CD1-CG1 4.42Å; I506-I554 CarbonylContact O-C 3.56Å; I506-I554 WeakPolarHBondContact O-CA 3.27Å; V508-I554 HydrophobicContact CG2-CG2 3.55Å; W532-I554 PolarHBondContact NE1-O 2.82Å; I535-I554 HydrophobicContact CD1-CD1 3.69Å; H536-I554 PolarHBondContact CE1-O 2.89Å; H536-I554 VanDerWaalsContact CE1-O 3.27Å; H536-I554 PolarHBondContact NE2-O 2.88Å; N552-I554 HydrophobicContact CB-CG1 4.29Å; I554-L637 HydrophobicContact CD1-CB 3.91Å; I554-L637 HydrophobicContact CD1-CD2 3.85Å; I554-L637 HydrophobicContact CD1-CG 3.62Å; I554-L637 HydrophobicContact CG1-CD2 4.47Å; I554-L637 HydrophobicContact CG1-CG 4.34Å; I554-L637 HydrophobicContact CG2-CD2 4.17Å; I554-L638 HydrophobicContact CD1-CD2 3.69Å; I554-L638 HydrophobicContact CD1-CG 4.14Å; I554-L638 HydrophobicContact CG1-CD2 4.47Å
555	D	95.7	Very high	78	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.5	172.9	-65.7	-22.4	0	0	0	110.3	I506 V508 K553 L557 P586 Q587 Y621	I506-D555 PolarHBondContact O-N 2.69Å; V508-D555 PolarHBondContact N-O 2.7Å; K553-D555 WeakPolarHBondContact CE-OD1 3.09Å; K553-D555 VanDerWaalsContact NZ-CG 3.3Å; K553-D555 IonicContact NZ-OD1 3.55Å; K553-D555 PolarHBondContact NZ-OD1 3.05Å; K553-D555 VanDerWaalsContact NZ-OD1 3.17Å; K553-D555 IonicContact NZ-OD2 2.7Å; K553-D555 PolarHBondContact NZ-OD2 3.37Å; D555-L557 HydrophobicContact CB-CD2 4.2Å; D555-P586 WeakPolarHBondContact OD1-CA 3.36Å; D555-Q587 CarbonylContact C-O 3.58Å; D555-Q587 VanDerWaalsContact CA-O 3.23Å; D555-Q587 WeakPolarHBondContact CA-O 3.49Å; D555-Q587 WeakPolarHBondContact CB-O 3.29Å; D555-Q587 PolarHBondContact OD1-N 3.04Å; D555-Y621 HydrophobicContact CB-CE1 3.84Å; D555-Y621 WeakPolarHBondContact CB-OH 3.26Å; D555-Y621 WeakPolarHBondContact OD2-CE1 3.49Å; D555-Y621 VanDerWaalsContact OD2-CZ 3.3Å; D555-Y621 PolarHBondContact OD2-OH 2.65Å
556	L	98.1	Very high	79.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	117.1	172.6	-178.3	60.5	0	0	0	109.2	V508 L528 Y529 W532 I558 Q587 C588 L589	V508-L556 HydrophobicContact CB-CD1 4.16Å; V508-L556 HydrophobicContact CG1-CD1 4.11Å; L528-L556 HydrophobicContact CD1-CD1 4Å; L528-L556 HydrophobicContact CD2-CD1 3.94Å; L528-L556 HydrophobicContact CG-CD1 3.81Å; Y529-L556 HydrophobicContact CD2-CD2 4.12Å; W532-L556 HydrophobicContact CB-CD2 4.32Å; W532-L556 HydrophobicContact CD2-CB 4.03Å; W532-L556 HydrophobicContact CD2-CD2 4.47Å; W532-L556 HydrophobicContact CG-CB 3.99Å; W532-L556 HydrophobicContact CG-CD2 4.31Å; L556-I558 HydrophobicContact CD2-CD1 4.14Å; L556-I558 HydrophobicContact CD2-CG1 4.42Å; L556-I558 HydrophobicContact CG-CD1 4.28Å; L556-I558 HydrophobicContact CG-CG1 4.08Å; L556-Q587 PolarHBondContact N-O 3.25Å; L556-C588 HydrophobicContact CB-CB 4.47Å; L556-C588 CarbonylContact O-C 3.55Å; L556-C588 WeakPolarHBondContact O-CA 3.48Å; L556-L589 PolarHBondContact O-N 2.77Å
557	L	98.2	Very high	81.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.3	-176.2	-51.4	-179.4	0	0	0	109.6	V508 I509 G510 D555 F559 L589 L591 L617 Y621 F624	V508-L557 WeakPolarHBondContact O-CA 3.2Å; V508-L557 WeakPolarHBondContact O-CB 3.36Å; V508-L557 PolarHBondContact O-N 2.76Å; I509-L557 HydrophobicContact CG1-CD1 4.48Å; G510-L557 PolarHBondContact N-O 3.3Å; D555-L557 HydrophobicContact CB-CD2 4.2Å; L557-F559 HydrophobicContact CB-CD2 4.47Å; L557-F559 HydrophobicContact CB-CE2 3.71Å; L557-F559 HydrophobicContact CB-CZ 4.37Å; L557-L589 HydrophobicContact CD2-CB 4.09Å; L557-L589 HydrophobicContact CD2-CD1 3.84Å; L557-L589 HydrophobicContact CD2-CG 4.41Å; L557-L591 HydrophobicContact CB-CD1 4Å; L557-L591 HydrophobicContact CD2-CD1 4.22Å; L557-L617 HydrophobicContact CD1-CD1 4.22Å; L557-Y621 HydrophobicContact CD1-CD2 4.34Å; L557-Y621 HydrophobicContact CD1-CE2 3.84Å; L557-Y621 HydrophobicContact CD2-CE2 4.25Å; L557-F624 HydrophobicContact CD1-CD1 4.47Å; L557-F624 HydrophobicContact CD1-CE1 3.95Å
558	I	97	Very high	83.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.1	-176.8	-59.2	165	0	0	0	108.8	G510 L512 L524 L556 L569 L589 Y590 L591	G510-I558 WeakPolarHBondContact O-CA 3.43Å; L512-I558 HydrophobicContact CB-CG2 4.34Å; L524-I558 HydrophobicContact CD1-CD1 3.92Å; L524-I558 HydrophobicContact CD1-CG1 4.05Å; L524-I558 HydrophobicContact CD2-CD1 4.22Å; L524-I558 HydrophobicContact CD2-CG2 4.03Å; L556-I558 HydrophobicContact CD2-CD1 4.14Å; L556-I558 HydrophobicContact CD2-CG1 4.42Å; L556-I558 HydrophobicContact CG-CD1 4.28Å; L556-I558 HydrophobicContact CG-CG1 4.08Å; I558-L569 HydrophobicContact CD1-CD1 4.4Å; I558-L589 PolarHBondContact N-O 2.95Å; I558-Y590 HydrophobicContact CB-CD1 4.32Å; I558-Y590 HydrophobicContact CB-CD2 4.29Å; I558-Y590 HydrophobicContact CB-CE1 4.38Å; I558-Y590 HydrophobicContact CB-CE2 4.35Å; I558-Y590 HydrophobicContact CB-CG 4.28Å; I558-Y590 HydrophobicContact CD1-CD2 4.04Å; I558-Y590 HydrophobicContact CD1-CE1 4.49Å; I558-Y590 HydrophobicContact CD1-CE2 3.43Å; I558-Y590 VanDerWaalsContact CD1-CE2 3.43Å; I558-Y590 HydrophobicContact CG1-CE2 4.47Å; I558-Y590 HydrophobicContact CG2-CD1 3.99Å; I558-Y590 HydrophobicContact CG2-CE1 3.78Å; I558-Y590 HydrophobicContact CG2-CG 4.45Å; I558-Y590 CarbonylContact O-C 3.47Å; I558-Y590 WeakPolarHBondContact O-CA 3.47Å; I558-L591 PolarHBondContact O-N 2.78Å
559	F	96.9	Very high	85.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.2	177.3	-65.5	-94.9	0	0	0	109.9	I509 G510 V511 L512 L557 L591 T593 F608 C611 F614 L617	I509-F559 HydrophobicContact CB-CE2 4.39Å; I509-F559 HydrophobicContact CG1-CE2 4.2Å; I509-F559 HydrophobicContact CG2-CD2 3.86Å; I509-F559 HydrophobicContact CG2-CE2 3.81Å; G510-F559 PolarHBondContact O-N 2.93Å; V511-F559 WeakPolarHBondContact CA-O 3.36Å; V511-F559 HydrophobicContact CG2-CB 4.34Å; L512-F559 PolarHBondContact N-O 3.36Å; L557-F559 HydrophobicContact CB-CD2 4.47Å; L557-F559 HydrophobicContact CB-CE2 3.71Å; L557-F559 HydrophobicContact CB-CZ 4.37Å; F559-L591 WeakPolarHBondContact CA-O 3.22Å; F559-L591 HydrophobicContact CD1-CB 3.75Å; F559-L591 HydrophobicContact CE1-CB 3.78Å; F559-L591 HydrophobicContact CE1-CD1 4.18Å; F559-L591 HydrophobicContact CE1-CD2 4.11Å; F559-L591 HydrophobicContact CE1-CG 4.24Å; F559-L591 HydrophobicContact CE2-CD1 4.29Å; F559-L591 HydrophobicContact CG-CB 4.44Å; F559-L591 HydrophobicContact CZ-CB 4.46Å; F559-L591 HydrophobicContact CZ-CD1 4.01Å; F559-L591 HydrophobicContact CZ-CD2 4.37Å; F559-T593 HydrophobicContact CB-CG2 4.04Å; F559-F608 HydrophobicContact CB-CB 3.92Å; F559-F608 HydrophobicContact CD1-CB 3.63Å; F559-F608 HydrophobicContact CD2-CB 3.65Å; F559-F608 HydrophobicContact CE1-CB 4Å; F559-F608 HydrophobicContact CE2-CB 4.03Å; F559-F608 HydrophobicContact CG-CB 3.43Å; F559-F608 VanDerWaalsContact CG-CB 3.43Å; F559-F608 HydrophobicContact CZ-CB 4.19Å; F559-C611 HydrophobicContact CD1-CB 3.69Å; F559-C611 HydrophobicContact CE1-CB 3.68Å; F559-F614 HydrophobicContact CE1-CB 4.46Å; F559-F614 HydrophobicContact CE1-CD2 4.15Å; F559-F614 AromaticContact CZ-CD2 3.81Å; F559-F614 HydrophobicContact CZ-CD2 3.81Å; F559-F614 HydrophobicContact CZ-CE2 4.47Å; F559-L617 HydrophobicContact CZ-CD1 4.02Å
560	T	94.2	Very high	87.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.5	-179	-161.1	0	0	0	0	112.6	L512 H564 F565 Y590 L591 E592 T593	L512-T560 PolarHBondContact O-OG1 3.43Å; T560-H564 HydrophobicContact CG2-CB 3.93Å; T560-H564 PolarHBondContact OG1-CD2 3Å; T560-F565 HydrophobicContact CG2-CD1 3.99Å; T560-F565 HydrophobicContact CG2-CE1 3.66Å; T560-Y590 HydrophobicContact CG2-CD1 3.85Å; T560-Y590 HydrophobicContact CG2-CE1 4.28Å; T560-L591 PolarHBondContact N-O 3.3Å; T560-E592 WeakPolarHBondContact O-CA 3.17Å; T560-T593 PolarHBondContact O-N 2.69Å
561	E	91.9	Very high	88.1	Confident	52 Å²	52	38 Å²	38	24%	0.243	20%	0.196	C	C	.	.			trans	-72.3	147.2	173.8	-67.3	-165.7	158.3	0	0	111.6	A514 K563 H564	A514-E561 VanDerWaalsContact CB-CD 3.47Å; A514-E561 HydrophobicContact CB-CG 3.97Å; A514-E561 WeakPolarHBondContact CB-OE2 3.33Å; E561-K563 HydrophobicContact CB-CG 4.19Å; E561-K563 PolarHBondContact O-N 3.48Å; E561-K563 WeakPolarHBondContact OE2-CE 3.33Å; E561-K563 IonicContact OE2-NZ 3.2Å; E561-K563 PolarHBondContact OE2-NZ 3.37Å; E561-H564 PolarHBondContact O-N 3.05Å
562	K	87	Confident	88.9	Confident	135 Å²	135	36.4 Å²	36.4	59%	0.587	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-49.4	-27.1	-178.5	-169.5	170.8	-174.2	165.8	0	115.7	H564 F565 E592	K562-H564 PolarHBondContact O-N 3.47Å; K562-F565 HydrophobicContact CB-CD2 4.47Å; K562-F565 HydrophobicContact CG-CD2 4.07Å; K562-F565 VanDerWaalsContact O-CB 3.28Å; K562-F565 WeakPolarHBondContact O-CB 3.16Å; K562-F565 PolarHBondContact O-N 2.75Å; K562-F565 VanDerWaalsContact O-N 3.08Å; K562-E592 HydrophobicContact CB-CG 4.34Å; K562-E592 WeakPolarHBondContact CB-OE1 3.42Å
563	K	83.2	Confident	89.2	Confident	92 Å²	92	40 Å²	40	40%	0.4	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26	178.3	65.8	-169.2	178.3	-163.8	0	113.7	A514 E561	A514-K563 VanDerWaalsContact CB-NZ 3.28Å; A514-K563 WeakPolarHBondContact O-CE 3.06Å; A514-K563 PolarHBondContact O-NZ 3.15Å; E561-K563 HydrophobicContact CB-CG 4.19Å; E561-K563 PolarHBondContact O-N 3.48Å; E561-K563 WeakPolarHBondContact OE2-CE 3.33Å; E561-K563 IonicContact OE2-NZ 3.2Å; E561-K563 PolarHBondContact OE2-NZ 3.37Å
564	H	82.5	Confident	89.5	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.037	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-83.8	-12.2	176.5	-70	-63.9	0	0	0	112.9	L512 P513 T560 E561 K562 K566 K567	L512-H564 HydrophobicContact CD2-CB 4.26Å; P513-H564 PolarHBondContact O-NE2 3.2Å; T560-H564 HydrophobicContact CG2-CB 3.93Å; T560-H564 PolarHBondContact OG1-CD2 3Å; E561-H564 PolarHBondContact O-N 3.05Å; K562-H564 PolarHBondContact O-N 3.47Å; H564-K566 PolarHBondContact O-N 3.27Å; H564-K567 PolarHBondContact O-N 3Å
565	F	83	Confident	89.4	Confident	28 Å²	28	43.1 Å²	43.1	12%	0.123	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-66.6	-10	177.9	-69.5	0.4	0	0	0	114.1	T560 K562 K567 I574 Y590 E592	T560-F565 HydrophobicContact CG2-CD1 3.99Å; T560-F565 HydrophobicContact CG2-CE1 3.66Å; K562-F565 HydrophobicContact CB-CD2 4.47Å; K562-F565 HydrophobicContact CG-CD2 4.07Å; K562-F565 VanDerWaalsContact O-CB 3.28Å; K562-F565 WeakPolarHBondContact O-CB 3.16Å; K562-F565 PolarHBondContact O-N 2.75Å; K562-F565 VanDerWaalsContact O-N 3.08Å; F565-K567 PolarHBondContact O-N 3.31Å; F565-I574 HydrophobicContact CB-CD1 3.78Å; F565-I574 HydrophobicContact CB-CG1 4.46Å; F565-I574 HydrophobicContact CD2-CD1 3.82Å; F565-I574 HydrophobicContact CD2-CG1 4.1Å; F565-I574 HydrophobicContact CD2-CG2 3.98Å; F565-I574 HydrophobicContact CE2-CG1 4.42Å; F565-I574 HydrophobicContact CE2-CG2 3.64Å; F565-I574 HydrophobicContact CG-CD1 3.9Å; F565-I574 HydrophobicContact CG-CG1 4.15Å; F565-I574 HydrophobicContact CZ-CG2 4.18Å; F565-Y590 HydrophobicContact CD1-CD1 4.18Å; F565-Y590 HydrophobicContact CE1-CD1 4.19Å; F565-E592 HydrophobicContact CE2-CB 3.89Å; F565-E592 HydrophobicContact CE2-CG 4.4Å; F565-E592 HydrophobicContact CZ-CB 3.71Å; F565-E592 HydrophobicContact CZ-CG 4.39Å
566	K	77.5	Confident	89	Confident	181 Å²	181	47.4 Å²	47.4	79%	0.787	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-67.4	-21.2	175.9	-63.4	-173.3	179.5	-173.4	0	112.8	H564	H564-K566 PolarHBondContact O-N 3.27Å
567	K	78.7	Confident	88.5	Confident	57 Å²	57	49.8 Å²	49.8	25%	0.248	27%	0.267	C	S	.	.	S	Bend	trans	-143.1	85.5	-176.9	-66.6	-174.2	178.8	177	0	110.8	H564 F565 E845 Y846 A849	H564-K567 PolarHBondContact O-N 3Å; F565-K567 PolarHBondContact O-N 3.31Å; K567-E845 PolarHBondContact NZ-O 3.43Å; K567-Y846 HydrophobicContact CB-CD2 4.33Å; K567-Y846 HydrophobicContact CB-CE2 3.45Å; K567-Y846 VanDerWaalsContact CB-CE2 3.45Å; K567-Y846 HydrophobicContact CD-CD2 3.88Å; K567-Y846 HydrophobicContact CD-CE2 3.67Å; K567-Y846 HydrophobicContact CD-CG 4.42Å; K567-Y846 HydrophobicContact CG-CE2 4.21Å; K567-A849 VanDerWaalsContact NZ-CB 3.3Å
568	L	86	Confident	88	Confident	45 Å²	45	52.3 Å²	52.3	24%	0.236	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-77.5	154.1	176	-50.2	178.9	0	0	0	110.4	C572 I574 Y590 W842	L568-C572 HydrophobicContact CB-CB 4.47Å; L568-I574 HydrophobicContact CD1-CD1 4.03Å; L568-I574 HydrophobicContact CD1-CG1 3.73Å; L568-I574 HydrophobicContact CD2-CD1 4.31Å; L568-I574 HydrophobicContact CD2-CG1 3.96Å; L568-I574 HydrophobicContact CG-CG1 4.45Å; L568-Y590 HydrophobicContact CB-CE2 4.31Å; L568-Y590 HydrophobicContact CD2-CD1 3.71Å; L568-Y590 HydrophobicContact CD2-CD2 3.89Å; L568-Y590 HydrophobicContact CD2-CE1 4Å; L568-Y590 HydrophobicContact CD2-CE2 4.16Å; L568-Y590 HydrophobicContact CD2-CG 3.65Å; L568-W842 PolarHBondContact O-NE1 3.1Å
569	L	89.1	Confident	87.4	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65	149.8	165	-76.5	161.4	0	0	0	110.3	L524 A525 Y529 I558 G571 C572 Y590 L839 W842	L524-L569 HydrophobicContact CD2-CD1 4.18Å; L524-L569 HydrophobicContact CG-CD1 3.91Å; A525-L569 HydrophobicContact CB-CD2 3.78Å; Y529-L569 HydrophobicContact CD1-CD1 4.36Å; Y529-L569 HydrophobicContact CD1-CD2 4.23Å; Y529-L569 HydrophobicContact CD2-CB 4.05Å; Y529-L569 HydrophobicContact CD2-CD1 3.87Å; Y529-L569 HydrophobicContact CD2-CG 4.47Å; Y529-L569 HydrophobicContact CE2-CB 4.01Å; Y529-L569 HydrophobicContact CG-CB 4.42Å; Y529-L569 HydrophobicContact CG-CD1 3.72Å; Y529-L569 HydrophobicContact CG-CD2 4.4Å; Y529-L569 HydrophobicContact CG-CG 4.41Å; I558-L569 HydrophobicContact CD1-CD1 4.4Å; L569-G571 PolarHBondContact O-N 2.84Å; L569-C572 VanDerWaalsContact CB-SG 3.55Å; L569-C572 VanDerWaalsContact O-CB 3.26Å; L569-C572 WeakPolarHBondContact O-CB 3.34Å; L569-C572 PolarHBondContact O-N 3.03Å; L569-C572 VanDerWaalsContact O-N 3.1Å; L569-C572 PolarHBondContact O-SG 3.16Å; L569-Y590 PolarHBondContact N-OH 2.84Å; L569-L839 HydrophobicContact CD2-CD1 4.16Å; L569-L839 HydrophobicContact CD2-CD2 4.24Å; L569-W842 HydrophobicContact CD2-CD2 3.87Å; L569-W842 HydrophobicContact CD2-CE3 4.17Å; L569-W842 HydrophobicContact CD2-CG 4.43Å; L569-W842 HydrophobicContact CD2-CH2 3.84Å; L569-W842 HydrophobicContact CD2-CZ2 3.6Å; L569-W842 HydrophobicContact CD2-CZ3 4.17Å; L569-W842 HydrophobicContact CG-CH2 4.36Å; L569-W842 HydrophobicContact CG-CZ2 3.84Å
570	P	84	Confident	86.9	Confident	63 Å²	63	65.8 Å²	65.8	41%	0.409	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	136	-177.2	-28	36	0	0	0	113.1	Y529 C572 L839	Y529-P570 PolarHBondContact OH-O 3.15Å; P570-C572 PolarHBondContact O-N 3.15Å; P570-C572 VanDerWaalsContact O-N 3.1Å; P570-L839 HydrophobicContact CG-CD2 3.77Å
571	G	85.5	Confident	86.6	Confident	77 Å²	77	66.7 Å²	66.7	79%	0.794	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-2.8	179.7	0	0	0	0	0	115.8	L569	L569-G571 PolarHBondContact O-N 2.84Å
572	C	91.7	Very high	86	Confident	12 Å²	12	67.8 Å²	67.8	8%	0.081	34%	0.343	C	S	.	.			trans	-79.8	141.8	173.7	-56.6	0	0	0	0	111.5	L568 L569 P570 C588 Y590	L568-C572 HydrophobicContact CB-CB 4.47Å; L569-C572 VanDerWaalsContact CB-SG 3.55Å; L569-C572 VanDerWaalsContact O-CB 3.26Å; L569-C572 WeakPolarHBondContact O-CB 3.34Å; L569-C572 PolarHBondContact O-N 3.03Å; L569-C572 VanDerWaalsContact O-N 3.1Å; L569-C572 PolarHBondContact O-SG 3.16Å; P570-C572 PolarHBondContact O-N 3.15Å; P570-C572 VanDerWaalsContact O-N 3.1Å; C572-C588 CarbonylContact C-O 3.52Å; C572-C588 WeakPolarHBondContact CA-O 3.45Å; C572-C588 HydrophobicContact CB-CB 3.76Å; C572-C588 WeakPolarHBondContact CB-SG 3.28Å; C572-C588 WeakPolarHBondContact SG-CB 3.42Å; C572-C588 CovalentContact SG-SG 2.03Å; C572-C588 PolarHBondContact SG-SG 3.34Å; C572-Y590 HydrophobicContact CB-CD2 3.76Å; C572-Y590 HydrophobicContact CB-CE2 3.62Å
573	E	92.5	Very high	85.2	Confident	76 Å²	76	65.2 Å²	65.2	36%	0.355	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.4	-177.8	-64.3	173	156.1	0	0	109.9	K582 Q587 C588 L589 Y590	E573-K582 IonicContact OE1-NZ 3.44Å; E573-K582 PolarHBondContact OE1-NZ 2.57Å; E573-K582 IonicContact OE2-NZ 2.88Å; E573-K582 PolarHBondContact OE2-NZ 3.04Å; E573-Q587 PolarHBondContact OE2-NE2 2.87Å; E573-C588 PolarHBondContact N-O 3.29Å; E573-L589 HydrophobicContact CB-CD2 4.34Å; E573-L589 CarbonylContact O-C 3.53Å; E573-L589 WeakPolarHBondContact O-CA 3.38Å; E573-Y590 PolarHBondContact O-N 2.79Å
574	I	93.4	Very high	84.3	Confident	70 Å²	70	66.1 Å²	66.1	36%	0.359	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.6	169.7	-65.1	160.3	0	0	0	108.2	F565 L568 Q580 Y590	F565-I574 HydrophobicContact CB-CD1 3.78Å; F565-I574 HydrophobicContact CB-CG1 4.46Å; F565-I574 HydrophobicContact CD2-CD1 3.82Å; F565-I574 HydrophobicContact CD2-CG1 4.1Å; F565-I574 HydrophobicContact CD2-CG2 3.98Å; F565-I574 HydrophobicContact CE2-CG1 4.42Å; F565-I574 HydrophobicContact CE2-CG2 3.64Å; F565-I574 HydrophobicContact CG-CD1 3.9Å; F565-I574 HydrophobicContact CG-CG1 4.15Å; F565-I574 HydrophobicContact CZ-CG2 4.18Å; L568-I574 HydrophobicContact CD1-CD1 4.03Å; L568-I574 HydrophobicContact CD1-CG1 3.73Å; L568-I574 HydrophobicContact CD2-CD1 4.31Å; L568-I574 HydrophobicContact CD2-CG1 3.96Å; L568-I574 HydrophobicContact CG-CG1 4.45Å; I574-Q580 PolarHBondContact O-OE1 3.39Å; I574-Y590 WeakPolarHBondContact CA-O 3.2Å
575	V	91.2	Very high	84	Confident	6 Å²	6	70.9 Å²	70.9	4%	0.036	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.4	177.7	-177.4	0	0	0	0	110.6	D577 Q580 I581 L589 Y590 L591 L613	V575-D577 WeakPolarHBondContact CG1-O 3.46Å; V575-Q580 VanDerWaalsContact CA-OE1 3.23Å; V575-I581 HydrophobicContact CG1-CD1 4.44Å; V575-I581 HydrophobicContact CG1-CG1 4.25Å; V575-L589 HydrophobicContact CG2-CB 3.71Å; V575-L589 HydrophobicContact CG2-CD1 4.05Å; V575-L589 HydrophobicContact CG2-CD2 3.53Å; V575-L589 HydrophobicContact CG2-CG 3.93Å; V575-Y590 PolarHBondContact N-O 2.74Å; V575-L591 HydrophobicContact CB-CD2 4.48Å; V575-L591 HydrophobicContact CB-CG 4.32Å; V575-L613 HydrophobicContact CG1-CD1 3.95Å
576	S	87.5	Confident	84.3	Confident	90 Å²	90	70.6 Å²	70.6	63%	0.629	38%	0.377	S	S	*	.	S	Bend	trans	-108	-15	169.8	57.4	0	0	0	0	112.8	Q580	S576-Q580 PolarHBondContact OG-NE2 2.92Å
577	D	87.4	Confident	85	Confident	50 Å²	50	62.4 Å²	62.4	27%	0.267	34%	0.342	S	S	.	.	S	Bend	trans	-146.4	140.5	-177.7	-171.7	-69.5	0	0	0	111.1	V575 R579 Q580	V575-D577 WeakPolarHBondContact CG1-O 3.46Å; D577-R579 PolarHBondContact O-N 3.36Å; D577-R579 VanDerWaalsContact O-N 3.12Å; D577-R579 WeakPolarHBondContact OD1-CB 3.44Å; D577-R579 VanDerWaalsContact OD1-CG 3.25Å; D577-R579 WeakPolarHBondContact OD1-CG 3.35Å; D577-R579 IonicContact OD1-CZ 3.65Å; D577-R579 PolarHBondContact OD1-N 3.09Å; D577-R579 IonicContact OD1-NE 2.62Å; D577-R579 PolarHBondContact OD1-NE 2.85Å; D577-R579 IonicContact OD1-NH2 3.98Å; D577-R579 IonicContact OD2-CZ 2.67Å; D577-R579 IonicContact OD2-NE 3.54Å; D577-R579 PolarHBondContact OD2-NE 3.05Å; D577-R579 IonicContact OD2-NH2 3.38Å; D577-R579 PolarHBondContact OD2-NH2 3.09Å; D577-Q580 WeakPolarHBondContact O-CB 3.44Å; D577-Q580 PolarHBondContact O-N 3.5Å; D577-Q580 PolarHBondContact O-OE1 3.11Å
578	L	86.8	Confident	85.8	Confident	54 Å²	54	59.9 Å²	59.9	28%	0.283	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59	-26.1	-178	-57.9	177.1	0	0	0	113.6	Q580 I581 L613 S616 L617 I620	L578-Q580 PolarHBondContact O-N 3.04Å; L578-I581 HydrophobicContact CD2-CD1 4.46Å; L578-I581 WeakPolarHBondContact O-CB 3.3Å; L578-I581 PolarHBondContact O-N 3.07Å; L578-L613 HydrophobicContact CD2-CB 4.28Å; L578-L613 HydrophobicContact CD2-CD2 4.26Å; L578-L613 HydrophobicContact CG-CD2 4.43Å; L578-S616 VanDerWaalsContact CD1-CB 3.44Å; L578-L617 HydrophobicContact CD2-CD2 3.78Å; L578-I620 HydrophobicContact CB-CD1 4.04Å; L578-I620 HydrophobicContact CD1-CD1 4.42Å; L578-I620 HydrophobicContact CD2-CD1 3.82Å; L578-I620 HydrophobicContact CG-CD1 4.3Å
579	R	85.3	Confident	86.3	Confident	211 Å²	211	57.7 Å²	57.7	80%	0.796	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.2	-18.6	176.5	-66.9	172.2	-72.5	177.5	-1.9	113.1	D577 I581	D577-R579 PolarHBondContact O-N 3.36Å; D577-R579 VanDerWaalsContact O-N 3.12Å; D577-R579 WeakPolarHBondContact OD1-CB 3.44Å; D577-R579 VanDerWaalsContact OD1-CG 3.25Å; D577-R579 WeakPolarHBondContact OD1-CG 3.35Å; D577-R579 IonicContact OD1-CZ 3.65Å; D577-R579 PolarHBondContact OD1-N 3.09Å; D577-R579 IonicContact OD1-NE 2.62Å; D577-R579 PolarHBondContact OD1-NE 2.85Å; D577-R579 IonicContact OD1-NH2 3.98Å; D577-R579 IonicContact OD2-CZ 2.67Å; D577-R579 IonicContact OD2-NE 3.54Å; D577-R579 PolarHBondContact OD2-NE 3.05Å; D577-R579 IonicContact OD2-NH2 3.38Å; D577-R579 PolarHBondContact OD2-NH2 3.09Å; R579-I581 VanDerWaalsContact C-N 3.26Å
580	Q	87.1	Confident	86.7	Confident	71 Å²	71	57.8 Å²	57.8	33%	0.332	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-76.7	-15.6	175.9	-64.4	163.8	-15.9	0	0	112.2	I574 V575 S576 D577 L578 K582 Q587	I574-Q580 PolarHBondContact O-OE1 3.39Å; V575-Q580 VanDerWaalsContact CA-OE1 3.23Å; S576-Q580 PolarHBondContact OG-NE2 2.92Å; D577-Q580 WeakPolarHBondContact O-CB 3.44Å; D577-Q580 PolarHBondContact O-N 3.5Å; D577-Q580 PolarHBondContact O-OE1 3.11Å; L578-Q580 PolarHBondContact O-N 3.04Å; Q580-K582 PolarHBondContact O-N 3.08Å; Q580-Q587 PolarHBondContact O-NE2 3.08Å
581	I	87.6	Confident	87.3	Confident	20 Å²	20	54.8 Å²	54.8	10%	0.103	30%	0.3	C	S	.	.	S	Bend	trans	-84.2	104.7	177.2	-50.9	-177.5	0	0	0	109	V575 L578 R579 L589 L617 I620	V575-I581 HydrophobicContact CG1-CD1 4.44Å; V575-I581 HydrophobicContact CG1-CG1 4.25Å; L578-I581 HydrophobicContact CD2-CD1 4.46Å; L578-I581 WeakPolarHBondContact O-CB 3.3Å; L578-I581 PolarHBondContact O-N 3.07Å; R579-I581 VanDerWaalsContact C-N 3.26Å; I581-L589 HydrophobicContact CD1-CD1 4.23Å; I581-L589 HydrophobicContact CG1-CD1 3.9Å; I581-L589 HydrophobicContact CG2-CD1 4.23Å; I581-L617 HydrophobicContact CD1-CD2 3.42Å; I581-L617 VanDerWaalsContact CD1-CD2 3.42Å; I581-I620 HydrophobicContact CD1-CD1 3.95Å; I581-I620 HydrophobicContact CG2-CG2 4.09Å
582	K	77.9	Confident	87.8	Confident	75 Å²	75	55.2 Å²	55.2	33%	0.326	28%	0.282	S	S	.	.			trans	-77.1	136.1	-176.7	-62.2	165.7	-172.2	142.4	0	109.3	K553 E573 Q580 T584 K585	K553-K582 VanDerWaalsContact CE-O 3.3Å; K553-K582 WeakPolarHBondContact CE-O 3.46Å; K553-K582 PolarHBondContact NZ-O 3.16Å; E573-K582 IonicContact OE1-NZ 3.44Å; E573-K582 PolarHBondContact OE1-NZ 2.57Å; E573-K582 IonicContact OE2-NZ 2.88Å; E573-K582 PolarHBondContact OE2-NZ 3.04Å; Q580-K582 PolarHBondContact O-N 3.08Å; K582-T584 PolarHBondContact O-N 2.68Å; K582-K585 HydrophobicContact CB-CG 4.43Å; K582-K585 HydrophobicContact CD-CD 4.44Å; K582-K585 VanDerWaalsContact CD-CE 3.45Å; K582-K585 HydrophobicContact CD-CG 4.42Å
583	S	70.6	Confident	87.9	Confident	81 Å²	81	54.9 Å²	54.9	57%	0.566	28%	0.279	S	S	*	.	S	Bend	trans	-77.5	-20.5	-177.2	56	0	0	0	0	114.4
584	T	64.9	Low	88	Confident	112 Å²	112	55 Å²	55	69%	0.687	29%	0.286	S	S	*	.	S	Bend	trans	-105.3	-15.8	-162.9	53	0	0	0	0	115.6	K582	K582-T584 PolarHBondContact O-N 2.68Å
585	K	77.2	Confident	88	Confident	107 Å²	107	54.5 Å²	54.5	47%	0.465	28%	0.282	S	S	.	.	S	Bend	trans	-135.7	141.9	-177.6	69.1	175.6	-170.6	168.5	0	112.4	K553 K582	K553-K585 VanDerWaalsContact CE-C 3.41Å; K553-K585 WeakPolarHBondContact CE-O 3.4Å; K582-K585 HydrophobicContact CB-CG 4.43Å; K582-K585 HydrophobicContact CD-CD 4.44Å; K582-K585 VanDerWaalsContact CD-CE 3.45Å; K582-K585 HydrophobicContact CD-CG 4.42Å
586	P	88	Confident	88.1	Confident	23 Å²	23	55.5 Å²	55.5	15%	0.149	29%	0.286	C	S	.	.			trans	-52.3	137.5	169.9	-24.1	33	0	0	0	111.5	F501 W532 H536 K553 D555	F501-P586 HydrophobicContact CD2-CG 4.5Å; F501-P586 HydrophobicContact CE1-CG 4.33Å; F501-P586 HydrophobicContact CE2-CG 4.21Å; F501-P586 HydrophobicContact CZ-CG 4.13Å; W532-P586 HydrophobicContact CZ2-CB 3.88Å; H536-P586 WeakPolarHBondContact CD2-CG 3.21Å; H536-P586 WeakPolarHBondContact NE2-CG 3.1Å; K553-P586 HydrophobicContact CG-CG 4.47Å; D555-P586 WeakPolarHBondContact OD1-CA 3.36Å
587	Q	92.3	Very high	88.3	Confident	9 Å²	9	62.9 Å²	62.9	4%	0.042	30%	0.3	C	S	.	.			trans	-131.1	148.7	177	-72.1	174.2	-79.1	0	0	111.7	W532 D555 L556 E573 Q580 L589	W532-Q587 VanDerWaalsContact CZ2-C 3.46Å; W532-Q587 WeakPolarHBondContact CZ2-O 3.29Å; D555-Q587 CarbonylContact C-O 3.58Å; D555-Q587 VanDerWaalsContact CA-O 3.23Å; D555-Q587 WeakPolarHBondContact CA-O 3.49Å; D555-Q587 WeakPolarHBondContact CB-O 3.29Å; D555-Q587 PolarHBondContact OD1-N 3.04Å; L556-Q587 PolarHBondContact N-O 3.25Å; E573-Q587 PolarHBondContact OE2-NE2 2.87Å; Q580-Q587 PolarHBondContact O-NE2 3.08Å; Q587-L589 HydrophobicContact CB-CD1 4.25Å; Q587-L589 HydrophobicContact CB-CD2 3.66Å; Q587-L589 HydrophobicContact CB-CG 3.84Å; Q587-L589 HydrophobicContact CG-CD2 4.35Å
588	C	95.9	Very high	88.6	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.02	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.1	163	173.2	0	0	0	0	108.6	W532 L556 C572 E573	W532-C588 HydrophobicContact CH2-CB 4.01Å; W532-C588 HydrophobicContact CZ3-CB 4.01Å; L556-C588 HydrophobicContact CB-CB 4.47Å; L556-C588 CarbonylContact O-C 3.55Å; L556-C588 WeakPolarHBondContact O-CA 3.48Å; C572-C588 CarbonylContact C-O 3.52Å; C572-C588 WeakPolarHBondContact CA-O 3.45Å; C572-C588 HydrophobicContact CB-CB 3.76Å; C572-C588 WeakPolarHBondContact CB-SG 3.28Å; C572-C588 WeakPolarHBondContact SG-CB 3.42Å; C572-C588 CovalentContact SG-SG 2.03Å; C572-C588 PolarHBondContact SG-SG 3.34Å; E573-C588 PolarHBondContact N-O 3.29Å
589	L	96.7	Very high	88.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.6	-166.6	-58.8	177.3	0	0	0	110.4	L556 L557 I558 E573 V575 I581 Q587 L591	L556-L589 PolarHBondContact O-N 2.77Å; L557-L589 HydrophobicContact CD2-CB 4.09Å; L557-L589 HydrophobicContact CD2-CD1 3.84Å; L557-L589 HydrophobicContact CD2-CG 4.41Å; I558-L589 PolarHBondContact N-O 2.95Å; E573-L589 HydrophobicContact CB-CD2 4.34Å; E573-L589 CarbonylContact O-C 3.53Å; E573-L589 WeakPolarHBondContact O-CA 3.38Å; V575-L589 HydrophobicContact CG2-CB 3.71Å; V575-L589 HydrophobicContact CG2-CD1 4.05Å; V575-L589 HydrophobicContact CG2-CD2 3.53Å; V575-L589 HydrophobicContact CG2-CG 3.93Å; I581-L589 HydrophobicContact CD1-CD1 4.23Å; I581-L589 HydrophobicContact CG1-CD1 3.9Å; I581-L589 HydrophobicContact CG2-CD1 4.23Å; Q587-L589 HydrophobicContact CB-CD1 4.25Å; Q587-L589 HydrophobicContact CB-CD2 3.66Å; Q587-L589 HydrophobicContact CB-CG 3.84Å; Q587-L589 HydrophobicContact CG-CD2 4.35Å; L589-L591 HydrophobicContact CB-CD1 4.28Å
590	Y	96.8	Very high	89.1	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.7	172.7	-83.2	-113.1	0	0	0	109.8	I558 T560 F565 L568 L569 C572 E573 I574 V575	I558-Y590 HydrophobicContact CB-CD1 4.32Å; I558-Y590 HydrophobicContact CB-CD2 4.29Å; I558-Y590 HydrophobicContact CB-CE1 4.38Å; I558-Y590 HydrophobicContact CB-CE2 4.35Å; I558-Y590 HydrophobicContact CB-CG 4.28Å; I558-Y590 HydrophobicContact CD1-CD2 4.04Å; I558-Y590 HydrophobicContact CD1-CE1 4.49Å; I558-Y590 HydrophobicContact CD1-CE2 3.43Å; I558-Y590 VanDerWaalsContact CD1-CE2 3.43Å; I558-Y590 HydrophobicContact CG1-CE2 4.47Å; I558-Y590 HydrophobicContact CG2-CD1 3.99Å; I558-Y590 HydrophobicContact CG2-CE1 3.78Å; I558-Y590 HydrophobicContact CG2-CG 4.45Å; I558-Y590 CarbonylContact O-C 3.47Å; I558-Y590 WeakPolarHBondContact O-CA 3.47Å; T560-Y590 HydrophobicContact CG2-CD1 3.85Å; T560-Y590 HydrophobicContact CG2-CE1 4.28Å; F565-Y590 HydrophobicContact CD1-CD1 4.18Å; F565-Y590 HydrophobicContact CE1-CD1 4.19Å; L568-Y590 HydrophobicContact CB-CE2 4.31Å; L568-Y590 HydrophobicContact CD2-CD1 3.71Å; L568-Y590 HydrophobicContact CD2-CD2 3.89Å; L568-Y590 HydrophobicContact CD2-CE1 4Å; L568-Y590 HydrophobicContact CD2-CE2 4.16Å; L568-Y590 HydrophobicContact CD2-CG 3.65Å; L569-Y590 PolarHBondContact N-OH 2.84Å; C572-Y590 HydrophobicContact CB-CD2 3.76Å; C572-Y590 HydrophobicContact CB-CE2 3.62Å; E573-Y590 PolarHBondContact O-N 2.79Å; I574-Y590 WeakPolarHBondContact CA-O 3.2Å; V575-Y590 PolarHBondContact N-O 2.74Å
591	L	96.6	Very high	89.2	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.5	179.8	-62.6	104	0	0	0	110.4	L557 I558 F559 T560 V575 L589 T593 L613 L617	L557-L591 HydrophobicContact CB-CD1 4Å; L557-L591 HydrophobicContact CD2-CD1 4.22Å; I558-L591 PolarHBondContact O-N 2.78Å; F559-L591 WeakPolarHBondContact CA-O 3.22Å; F559-L591 HydrophobicContact CD1-CB 3.75Å; F559-L591 HydrophobicContact CE1-CB 3.78Å; F559-L591 HydrophobicContact CE1-CD1 4.18Å; F559-L591 HydrophobicContact CE1-CD2 4.11Å; F559-L591 HydrophobicContact CE1-CG 4.24Å; F559-L591 HydrophobicContact CE2-CD1 4.29Å; F559-L591 HydrophobicContact CG-CB 4.44Å; F559-L591 HydrophobicContact CZ-CB 4.46Å; F559-L591 HydrophobicContact CZ-CD1 4.01Å; F559-L591 HydrophobicContact CZ-CD2 4.37Å; T560-L591 PolarHBondContact N-O 3.3Å; V575-L591 HydrophobicContact CB-CD2 4.48Å; V575-L591 HydrophobicContact CB-CG 4.32Å; L589-L591 HydrophobicContact CB-CD1 4.28Å; L591-T593 PolarHBondContact O-N 2.72Å; L591-L613 HydrophobicContact CD2-CB 4.41Å; L591-L613 HydrophobicContact CD2-CD1 4.47Å; L591-L617 HydrophobicContact CD2-CD1 3.87Å
592	E	95.4	Very high	89.3	Confident	86 Å²	86	63.1 Å²	63.1	40%	0.402	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.8	-179.3	-171.1	171.9	175.7	0	0	108.9	T560 K562 F565 C611	T560-E592 WeakPolarHBondContact O-CA 3.17Å; K562-E592 HydrophobicContact CB-CG 4.34Å; K562-E592 WeakPolarHBondContact CB-OE1 3.42Å; F565-E592 HydrophobicContact CE2-CB 3.89Å; F565-E592 HydrophobicContact CE2-CG 4.4Å; F565-E592 HydrophobicContact CZ-CB 3.71Å; F565-E592 HydrophobicContact CZ-CG 4.39Å; E592-C611 WeakPolarHBondContact O-CB 3.47Å; E592-C611 PolarHBondContact O-SG 3.01Å
593	T	95.1	Very high	90.1	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.031	30%	0.296	C	S	.	.			trans	-136.4	170.4	169.7	-157.5	0	0	0	0	111.5	F559 T560 L591 S607 C611	F559-T593 HydrophobicContact CB-CG2 4.04Å; T560-T593 PolarHBondContact O-N 2.69Å; L591-T593 PolarHBondContact O-N 2.72Å; T593-S607 PolarHBondContact OG1-O 3.27Å; T593-C611 PolarHBondContact OG1-N 3.41Å; T593-C611 VanDerWaalsContact OG1-N 3.17Å
594	T	93.9	Very high	91.2	Very high	79 Å²	79	56.4 Å²	56.4	49%	0.485	27%	0.273	S	S	.	.			trans	-118.3	136.4	174.7	53.1	0	0	0	0	110.1	N610	T594-N610 PolarHBondContact O-ND2 3.17Å; T594-N610 WeakPolarHBondContact OG1-CB 2.83Å
595	E	92.8	Very high	92.5	Very high	59 Å²	59	52.4 Å²	52.4	28%	0.276	25%	0.248	S	C	.	.			trans	-63.1	143.6	175.1	-76.6	-163.9	162.8	0	0	111.8	A514 R597 N604	A514-E595 HydrophobicContact CB-CG 3.79Å; A514-E595 WeakPolarHBondContact CB-OE1 3.23Å; A514-E595 WeakPolarHBondContact CB-OE2 3.19Å; A514-E595 PolarHBondContact N-OE1 3.35Å; E595-R597 PolarHBondContact O-N 2.89Å; E595-N604 VanDerWaalsContact CA-OD1 3.25Å; E595-N604 WeakPolarHBondContact CA-OD1 3.41Å; E595-N604 WeakPolarHBondContact CB-OD1 3.39Å; E595-N604 VanDerWaalsContact CD-ND2 3.3Å; E595-N604 HydrophobicContact CG-CB 4.37Å; E595-N604 WeakPolarHBondContact CG-OD1 3.42Å; E595-N604 PolarHBondContact OE2-ND2 3.16Å
596	I	93.8	Very high	93.4	Very high	26 Å²	26	47.3 Å²	47.3	13%	0.133	23%	0.226	C	C	.	.			trans	-75.2	118.5	172.4	-60.7	166.5	0	0	0	107.2	H598 I603 N604 N610 M702	I596-H598 PolarHBondContact O-N 2.95Å; I596-I603 HydrophobicContact CB-CG1 4.35Å; I596-I603 HydrophobicContact CB-CG2 3.96Å; I596-I603 HydrophobicContact CD1-CG1 4.02Å; I596-I603 HydrophobicContact CG2-CG1 4.05Å; I596-I603 HydrophobicContact CG2-CG2 4.08Å; I596-N604 PolarHBondContact N-OD1 3.46Å; I596-N610 WeakPolarHBondContact CG1-ND2 3.34Å; I596-M702 HydrophobicContact CG2-SD 3.87Å
597	R	91.2	Very high	93.8	Very high	246 Å²	246	46.3 Å²	46.3	93%	0.928	22%	0.22	S	C	*	.			trans	-73.3	99	177.7	-66.6	-175.6	-176.5	176.2	1.5	110.2	E595	E595-R597 PolarHBondContact O-N 2.89Å
598	H	93.8	Very high	94	Very high	48 Å²	48	45.9 Å²	45.9	22%	0.222	22%	0.218	C	C	.	.			trans	-145.4	157.4	175.8	-157.8	-96.8	0	0	0	110.4	I596 Y600 I603 M702 F705 D706	I596-H598 PolarHBondContact O-N 2.95Å; H598-Y600 WeakPolarHBondContact ND1-CB 3.31Å; H598-Y600 PolarHBondContact ND1-N 3.32Å; H598-Y600 VanDerWaalsContact ND1-N 3.14Å; H598-Y600 PolarHBondContact O-N 3.42Å; H598-I603 HydrophobicContact CB-CG2 3.86Å; H598-M702 WeakPolarHBondContact NE2-CB 3.48Å; H598-F705 AromaticContact CE1-CD1 3.87Å; H598-D706 IonicContact CE1-OD1 2.63Å; H598-D706 PolarHBondContact CE1-OD1 3.35Å; H598-D706 IonicContact CE1-OD2 3.29Å; H598-D706 IonicContact NE2-OD1 3.79Å; H598-D706 IonicContact NE2-OD2 3.81Å; H598-D706 PolarHBondContact NE2-OD2 3.25Å
599	T	90.6	Very high	94.1	Very high	113 Å²	113	47.6 Å²	47.6	69%	0.693	23%	0.226	S	C	*	.	S	Bend	trans	-68.9	-18.8	174.4	54.3	0	0	0	0	112.7	M601 F705	T599-M601 PolarHBondContact O-N 3.06Å; T599-F705 WeakPolarHBondContact OG1-CE1 3.36Å
600	Y	93.3	Very high	94.1	Very high	6 Å²	6	50.9 Å²	50.9	2%	0.024	24%	0.244	C	C	.	.			trans	-91.5	95.5	176.5	179.3	-127.9	0	0	0	110.4	H598 Y602 I603 T701 F705 P735 S738	H598-Y600 WeakPolarHBondContact ND1-CB 3.31Å; H598-Y600 PolarHBondContact ND1-N 3.32Å; H598-Y600 VanDerWaalsContact ND1-N 3.14Å; H598-Y600 PolarHBondContact O-N 3.42Å; Y600-Y602 HydrophobicContact CD2-CD2 4.15Å; Y600-Y602 AromaticContact CE2-CD2 3.55Å; Y600-Y602 HydrophobicContact CE2-CD2 3.55Å; Y600-Y602 HydrophobicContact CE2-CG 4.18Å; Y600-Y602 PolarHBondContact O-N 3.39Å; Y600-Y602 VanDerWaalsContact O-N 3.13Å; Y600-I603 HydrophobicContact CD1-CB 3.95Å; Y600-I603 WeakPolarHBondContact O-CB 3.29Å; Y600-I603 WeakPolarHBondContact O-CG2 3.25Å; Y600-I603 PolarHBondContact O-N 2.87Å; Y600-T701 HydrophobicContact CD1-CG2 3.7Å; Y600-T701 HydrophobicContact CE1-CG2 3.41Å; Y600-T701 VanDerWaalsContact CE1-CG2 3.41Å; Y600-F705 HydrophobicContact CD1-CD2 4.35Å; Y600-F705 AromaticContact CD2-CD2 3.34Å; Y600-F705 HydrophobicContact CD2-CD2 3.34Å; Y600-F705 AromaticContact CD2-CE2 3.24Å; Y600-F705 HydrophobicContact CD2-CE2 3.24Å; Y600-F705 HydrophobicContact CD2-CG 4.2Å; Y600-F705 HydrophobicContact CD2-CZ 4.03Å; Y600-F705 AromaticContact CE2-CD2 3.98Å; Y600-F705 HydrophobicContact CE2-CD2 3.98Å; Y600-F705 HydrophobicContact CE2-CE2 4.03Å; Y600-F705 HydrophobicContact CG-CB 4.47Å; Y600-F705 HydrophobicContact CG-CD1 4.49Å; Y600-F705 AromaticContact CG-CD2 3.53Å; Y600-F705 HydrophobicContact CG-CD2 3.53Å; Y600-F705 AromaticContact CG-CE2 3.77Å; Y600-F705 HydrophobicContact CG-CE2 3.77Å; Y600-F705 AromaticContact CG-CG 3.92Å; Y600-F705 HydrophobicContact CG-CG 3.92Å; Y600-F705 HydrophobicContact CG-CZ 4.34Å; Y600-P735 WeakPolarHBondContact CE2-O 3.32Å; Y600-P735 PolarHBondContact OH-O 2.98Å; Y600-S738 WeakPolarHBondContact OH-CB 3.42Å; Y600-S738 PolarHBondContact OH-N 3.19Å; Y600-S738 PolarHBondContact OH-OG 3.05Å
601	M	88.3	Confident	94	Very high	119 Å²	119	51.1 Å²	51.1	59%	0.586	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.2	-31.5	-173.3	70.6	-177.4	-156.7	0	0	114.4	T599 I603 N604	T599-M601 PolarHBondContact O-N 3.06Å; M601-I603 PolarHBondContact O-N 3.44Å; M601-N604 PolarHBondContact O-N 3.3Å; M601-N604 PolarHBondContact O-ND2 3.31Å
602	Y	89.9	Confident	93.8	Very high	124 Å²	124	56.6 Å²	56.6	49%	0.486	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-74.2	-6.4	-179.3	-55.6	-76.8	0	0	0	113.5	Y600 N604 T605 P735	Y600-Y602 HydrophobicContact CD2-CD2 4.15Å; Y600-Y602 AromaticContact CE2-CD2 3.55Å; Y600-Y602 HydrophobicContact CE2-CD2 3.55Å; Y600-Y602 HydrophobicContact CE2-CG 4.18Å; Y600-Y602 PolarHBondContact O-N 3.39Å; Y600-Y602 VanDerWaalsContact O-N 3.13Å; Y602-N604 PolarHBondContact O-N 3.1Å; Y602-N604 VanDerWaalsContact O-N 3.12Å; Y602-T605 WeakPolarHBondContact O-CG2 3.39Å; Y602-T605 PolarHBondContact O-N 2.9Å; Y602-P735 HydrophobicContact CE2-CB 4.46Å
603	I	94.7	Very high	93.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56.2	-27.2	169.2	-167.3	60.5	0	0	0	111.4	I596 H598 Y600 M601 T605 Y606 A698 T701 M702	I596-I603 HydrophobicContact CB-CG1 4.35Å; I596-I603 HydrophobicContact CB-CG2 3.96Å; I596-I603 HydrophobicContact CD1-CG1 4.02Å; I596-I603 HydrophobicContact CG2-CG1 4.05Å; I596-I603 HydrophobicContact CG2-CG2 4.08Å; H598-I603 HydrophobicContact CB-CG2 3.86Å; Y600-I603 HydrophobicContact CD1-CB 3.95Å; Y600-I603 WeakPolarHBondContact O-CB 3.29Å; Y600-I603 WeakPolarHBondContact O-CG2 3.25Å; Y600-I603 PolarHBondContact O-N 2.87Å; M601-I603 PolarHBondContact O-N 3.44Å; I603-T605 PolarHBondContact O-N 2.88Å; I603-T605 VanDerWaalsContact O-N 3.1Å; I603-Y606 HydrophobicContact CD1-CD2 4.07Å; I603-Y606 WeakPolarHBondContact O-CB 3.32Å; I603-Y606 PolarHBondContact O-N 2.89Å; I603-A698 WeakPolarHBondContact CD1-O 3.46Å; I603-T701 HydrophobicContact CD1-CG2 3.61Å; I603-M702 HydrophobicContact CD1-CG 3.65Å; I603-M702 HydrophobicContact CD1-SD 4.45Å; I603-M702 HydrophobicContact CG1-CG 3.81Å; I603-M702 HydrophobicContact CG1-SD 4.2Å
604	N	93.4	Very high	93.9	Very high	16 Å²	16	53.9 Å²	53.9	9%	0.086	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.1	-10.8	-177	-76.7	-45.3	0	0	0	114	V511 E595 I596 M601 Y602 Y606 S607	V511-N604 WeakPolarHBondContact CG1-O 3.5Å; E595-N604 VanDerWaalsContact CA-OD1 3.25Å; E595-N604 WeakPolarHBondContact CA-OD1 3.41Å; E595-N604 WeakPolarHBondContact CB-OD1 3.39Å; E595-N604 VanDerWaalsContact CD-ND2 3.3Å; E595-N604 HydrophobicContact CG-CB 4.37Å; E595-N604 WeakPolarHBondContact CG-OD1 3.42Å; E595-N604 PolarHBondContact OE2-ND2 3.16Å; I596-N604 PolarHBondContact N-OD1 3.46Å; M601-N604 PolarHBondContact O-N 3.3Å; M601-N604 PolarHBondContact O-ND2 3.31Å; Y602-N604 PolarHBondContact O-N 3.1Å; Y602-N604 VanDerWaalsContact O-N 3.12Å; N604-Y606 PolarHBondContact O-N 2.81Å; N604-Y606 VanDerWaalsContact O-N 3.09Å; N604-S607 VanDerWaalsContact O-CB 3.26Å; N604-S607 WeakPolarHBondContact O-CB 3.47Å; N604-S607 PolarHBondContact O-N 3.2Å; N604-S607 PolarHBondContact O-OG 3.5Å
605	T	92.9	Very high	93.9	Very high	28 Å²	28	55.4 Å²	55.4	17%	0.172	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-53.1	-25.5	162.4	-174.3	0	0	0	0	112.3	V511 Y602 I603 F608 R626	V511-T605 WeakPolarHBondContact CG2-O 3.3Å; Y602-T605 WeakPolarHBondContact O-CG2 3.39Å; Y602-T605 PolarHBondContact O-N 2.9Å; I603-T605 PolarHBondContact O-N 2.88Å; I603-T605 VanDerWaalsContact O-N 3.1Å; T605-F608 WeakPolarHBondContact O-CD1 3.31Å; T605-F608 WeakPolarHBondContact O-CE1 3.48Å; T605-R626 VanDerWaalsContact CG2-NH2 3.26Å; T605-R626 PolarHBondContact OG1-NH2 2.71Å
606	Y	97	Very high	94	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-97.6	2.8	176.1	-63.7	-73.9	0	0	0	114.2	I603 N604 F608 L609 R626 A697 A698 Q742	I603-Y606 HydrophobicContact CD1-CD2 4.07Å; I603-Y606 WeakPolarHBondContact O-CB 3.32Å; I603-Y606 PolarHBondContact O-N 2.89Å; N604-Y606 PolarHBondContact O-N 2.81Å; N604-Y606 VanDerWaalsContact O-N 3.09Å; Y606-F608 HydrophobicContact CD1-CE1 4.21Å; Y606-F608 HydrophobicContact CD1-CZ 4.28Å; Y606-F608 PolarHBondContact O-N 2.63Å; Y606-F608 VanDerWaalsContact O-N 3.08Å; Y606-L609 HydrophobicContact CD1-CD1 4.4Å; Y606-L609 VanDerWaalsContact O-CB 3.29Å; Y606-L609 WeakPolarHBondContact O-CB 3.32Å; Y606-L609 WeakPolarHBondContact O-CG 3.3Å; Y606-L609 PolarHBondContact O-N 3.06Å; Y606-R626 VanDerWaalsContact CE1-NH2 3.3Å; Y606-R626 VanDerWaalsContact CZ-CZ 3.49Å; Y606-R626 PolarHBondContact OH-NH1 3.4Å; Y606-R626 PolarHBondContact OH-NH2 2.88Å; Y606-A697 HydrophobicContact CE1-CB 4.01Å; Y606-A697 WeakPolarHBondContact OH-CB 3.31Å; Y606-A698 HydrophobicContact CD1-CB 4.13Å; Y606-A698 HydrophobicContact CD2-CB 3.97Å; Y606-A698 HydrophobicContact CG-CB 3.69Å; Y606-Q742 VanDerWaalsContact OH-CD 3.31Å; Y606-Q742 WeakPolarHBondContact OH-CG 3.41Å; Y606-Q742 PolarHBondContact OH-NE2 3.34Å; Y606-Q742 VanDerWaalsContact OH-NE2 3.16Å
607	S	95.6	Very high	94.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.9	-20.5	-178.5	64.4	0	0	0	0	112.3	V511 T593 N604 L609 N610	V511-S607 WeakPolarHBondContact CG1-OG 3.2Å; T593-S607 PolarHBondContact OG1-O 3.27Å; N604-S607 VanDerWaalsContact O-CB 3.26Å; N604-S607 WeakPolarHBondContact O-CB 3.47Å; N604-S607 PolarHBondContact O-N 3.2Å; N604-S607 PolarHBondContact O-OG 3.5Å; S607-L609 PolarHBondContact O-N 2.94Å; S607-N610 WeakPolarHBondContact O-CB 3.16Å; S607-N610 PolarHBondContact O-N 3.34Å
608	F	96.8	Very high	94.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.5	-25.8	170.7	67.6	-97.5	0	0	0	113.3	I509 V511 F559 T605 Y606 N610 C611 F614 R626	I509-F608 HydrophobicContact CG2-CB 4.19Å; I509-F608 HydrophobicContact CG2-CD1 3.84Å; I509-F608 HydrophobicContact CG2-CD2 4.46Å; I509-F608 HydrophobicContact CG2-CE1 4.32Å; I509-F608 HydrophobicContact CG2-CG 3.92Å; V511-F608 HydrophobicContact CG2-CB 4.2Å; V511-F608 HydrophobicContact CG2-CD1 3.84Å; F559-F608 HydrophobicContact CB-CB 3.92Å; F559-F608 HydrophobicContact CD1-CB 3.63Å; F559-F608 HydrophobicContact CD2-CB 3.65Å; F559-F608 HydrophobicContact CE1-CB 4Å; F559-F608 HydrophobicContact CE2-CB 4.03Å; F559-F608 HydrophobicContact CG-CB 3.43Å; F559-F608 VanDerWaalsContact CG-CB 3.43Å; F559-F608 HydrophobicContact CZ-CB 4.19Å; T605-F608 WeakPolarHBondContact O-CD1 3.31Å; T605-F608 WeakPolarHBondContact O-CE1 3.48Å; Y606-F608 HydrophobicContact CD1-CE1 4.21Å; Y606-F608 HydrophobicContact CD1-CZ 4.28Å; Y606-F608 PolarHBondContact O-N 2.63Å; Y606-F608 VanDerWaalsContact O-N 3.08Å; F608-N610 PolarHBondContact O-N 2.65Å; F608-C611 VanDerWaalsContact O-CB 3.25Å; F608-C611 WeakPolarHBondContact O-CB 3.49Å; F608-C611 PolarHBondContact O-N 3.17Å; F608-C611 VanDerWaalsContact O-N 3.12Å; F608-F614 HydrophobicContact CD2-CD1 4.05Å; F608-F614 AromaticContact CD2-CD2 3.81Å; F608-F614 HydrophobicContact CD2-CD2 3.81Å; F608-F614 AromaticContact CD2-CE1 3.74Å; F608-F614 HydrophobicContact CD2-CE1 3.74Å; F608-F614 AromaticContact CD2-CE2 3.49Å; F608-F614 HydrophobicContact CD2-CE2 3.49Å; F608-F614 VanDerWaalsContact CD2-CE2 3.49Å; F608-F614 HydrophobicContact CD2-CG 4.09Å; F608-F614 AromaticContact CD2-CZ 3.46Å; F608-F614 HydrophobicContact CD2-CZ 3.46Å; F608-F614 VanDerWaalsContact CD2-CZ 3.46Å; F608-F614 HydrophobicContact CE2-CD1 4.36Å; F608-F614 AromaticContact CE2-CE1 3.63Å; F608-F614 HydrophobicContact CE2-CE1 3.63Å; F608-F614 AromaticContact CE2-CE2 3.83Å; F608-F614 HydrophobicContact CE2-CE2 3.83Å; F608-F614 AromaticContact CE2-CZ 3.33Å; F608-F614 HydrophobicContact CE2-CZ 3.33Å; F608-F614 WeakPolarHBondContact O-CB 3.2Å; F608-R626 HydrophobicContact CE1-CG 4.39Å
609	L	97.4	Very high	94.2	Very high	38 Å²	38	48.1 Å²	48.1	20%	0.199	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-65	-24.4	175	-64	174.3	0	0	0	113.2	Y606 S607 C611 F614 A698	Y606-L609 HydrophobicContact CD1-CD1 4.4Å; Y606-L609 VanDerWaalsContact O-CB 3.29Å; Y606-L609 WeakPolarHBondContact O-CB 3.32Å; Y606-L609 WeakPolarHBondContact O-CG 3.3Å; Y606-L609 PolarHBondContact O-N 3.06Å; S607-L609 PolarHBondContact O-N 2.94Å; L609-C611 VanDerWaalsContact C-N 3.29Å; L609-F614 HydrophobicContact CD2-CD1 3.92Å; L609-F614 HydrophobicContact CD2-CE1 3.58Å; L609-A698 HydrophobicContact CD1-CB 3.93Å
610	N	96.3	Very high	94.3	Very high	70 Å²	70	44.8 Å²	44.8	37%	0.374	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-81.3	-8.5	176	-69.6	-17.7	0	0	0	112.9	T594 I596 S607 F608 P612	T594-N610 PolarHBondContact O-ND2 3.17Å; T594-N610 WeakPolarHBondContact OG1-CB 2.83Å; I596-N610 WeakPolarHBondContact CG1-ND2 3.34Å; S607-N610 WeakPolarHBondContact O-CB 3.16Å; S607-N610 PolarHBondContact O-N 3.34Å; F608-N610 PolarHBondContact O-N 2.65Å; N610-P612 WeakPolarHBondContact O-CD 3.48Å
611	C	95.9	Very high	94.5	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.054	23%	0.226	C	C	.	.	S	Bend	trans	-68.8	123.4	176.2	177.9	0	0	0	0	109.5	F559 E592 T593 F608 L609 L613 F614	F559-C611 HydrophobicContact CD1-CB 3.69Å; F559-C611 HydrophobicContact CE1-CB 3.68Å; E592-C611 WeakPolarHBondContact O-CB 3.47Å; E592-C611 PolarHBondContact O-SG 3.01Å; T593-C611 PolarHBondContact OG1-N 3.41Å; T593-C611 VanDerWaalsContact OG1-N 3.17Å; F608-C611 VanDerWaalsContact O-CB 3.25Å; F608-C611 WeakPolarHBondContact O-CB 3.49Å; F608-C611 PolarHBondContact O-N 3.17Å; F608-C611 VanDerWaalsContact O-N 3.12Å; L609-C611 VanDerWaalsContact C-N 3.29Å; C611-L613 PolarHBondContact O-N 2.93Å; C611-F614 HydrophobicContact CB-CB 4.08Å; C611-F614 WeakPolarHBondContact O-CB 3.23Å; C611-F614 PolarHBondContact O-N 2.79Å
612	P	92.8	Very high	94.8	Very high	115 Å²	115	42.8 Å²	42.8	75%	0.747	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.6	-177.7	-26.9	35.3	0	0	0	114.2	N610	N610-P612 WeakPolarHBondContact O-CD 3.48Å
613	L	94.4	Very high	95.1	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.178	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-18.1	-179.4	-61.4	-179.2	0	0	0	113.4	V575 L578 L591 C611 R615 S616 L617	V575-L613 HydrophobicContact CG1-CD1 3.95Å; L578-L613 HydrophobicContact CD2-CB 4.28Å; L578-L613 HydrophobicContact CD2-CD2 4.26Å; L578-L613 HydrophobicContact CG-CD2 4.43Å; L591-L613 HydrophobicContact CD2-CB 4.41Å; L591-L613 HydrophobicContact CD2-CD1 4.47Å; C611-L613 PolarHBondContact O-N 2.93Å; L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 2.84Å; L613-S616 WeakPolarHBondContact O-CA 3.43Å; L613-S616 WeakPolarHBondContact O-CB 3.08Å; L613-S616 PolarHBondContact O-N 2.8Å; L613-L617 PolarHBondContact O-N 2.9Å; L613-L617 VanDerWaalsContact O-N 3.12Å
614	F	96.7	Very high	95.3	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-43.6	-166.5	178.4	-106.6	0	0	0	113.2	I509 F559 F608 L609 C611 S616 L617 F624 A691	I509-F614 HydrophobicContact CD1-CE2 3.72Å; I509-F614 HydrophobicContact CD1-CZ 4.19Å; F559-F614 HydrophobicContact CE1-CB 4.46Å; F559-F614 HydrophobicContact CE1-CD2 4.15Å; F559-F614 AromaticContact CZ-CD2 3.81Å; F559-F614 HydrophobicContact CZ-CD2 3.81Å; F559-F614 HydrophobicContact CZ-CE2 4.47Å; F608-F614 HydrophobicContact CD2-CD1 4.05Å; F608-F614 AromaticContact CD2-CD2 3.81Å; F608-F614 HydrophobicContact CD2-CD2 3.81Å; F608-F614 AromaticContact CD2-CE1 3.74Å; F608-F614 HydrophobicContact CD2-CE1 3.74Å; F608-F614 AromaticContact CD2-CE2 3.49Å; F608-F614 HydrophobicContact CD2-CE2 3.49Å; F608-F614 VanDerWaalsContact CD2-CE2 3.49Å; F608-F614 HydrophobicContact CD2-CG 4.09Å; F608-F614 AromaticContact CD2-CZ 3.46Å; F608-F614 HydrophobicContact CD2-CZ 3.46Å; F608-F614 VanDerWaalsContact CD2-CZ 3.46Å; F608-F614 HydrophobicContact CE2-CD1 4.36Å; F608-F614 AromaticContact CE2-CE1 3.63Å; F608-F614 HydrophobicContact CE2-CE1 3.63Å; F608-F614 AromaticContact CE2-CE2 3.83Å; F608-F614 HydrophobicContact CE2-CE2 3.83Å; F608-F614 AromaticContact CE2-CZ 3.33Å; F608-F614 HydrophobicContact CE2-CZ 3.33Å; F608-F614 WeakPolarHBondContact O-CB 3.2Å; L609-F614 HydrophobicContact CD2-CD1 3.92Å; L609-F614 HydrophobicContact CD2-CE1 3.58Å; C611-F614 HydrophobicContact CB-CB 4.08Å; C611-F614 WeakPolarHBondContact O-CB 3.23Å; C611-F614 PolarHBondContact O-N 2.79Å; F614-S616 PolarHBondContact O-N 2.9Å; F614-L617 HydrophobicContact CD2-CD1 4.33Å; F614-L617 WeakPolarHBondContact O-CB 2.99Å; F614-L617 PolarHBondContact O-N 2.8Å; F614-L617 VanDerWaalsContact O-N 3.09Å; F614-F624 HydrophobicContact CE2-CD2 4.45Å; F614-F624 AromaticContact CE2-CE2 3.89Å; F614-F624 HydrophobicContact CE2-CE2 3.89Å; F614-F624 HydrophobicContact CE2-CZ 4.19Å; F614-F624 HydrophobicContact CZ-CD2 4.4Å; F614-F624 HydrophobicContact CZ-CE2 4.01Å; F614-A691 HydrophobicContact CE1-CB 3.69Å; F614-A691 HydrophobicContact CZ-CB 4Å
615	R	94.1	Very high	95.6	Very high	110 Å²	110	37.6 Å²	37.6	42%	0.415	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-30.8	176.3	-72.4	-64.2	-175.1	174.3	0.5	113	L613 T618 N692 T695	L613-R615 VanDerWaalsContact C-N 3.34Å; L613-R615 PolarHBondContact O-N 2.84Å; R615-T618 PolarHBondContact O-OG1 2.03Å; R615-N692 PolarHBondContact NH1-OD1 2.82Å; R615-T695 PolarHBondContact NH2-OG1 2.58Å
616	S	95.1	Very high	95.8	Very high	46 Å²	46	36.6 Å²	36.6	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-78.4	-23.5	176.8	-55.1	0	0	0	0	112.6	L578 L613 F614 T618 H619	L578-S616 VanDerWaalsContact CD1-CB 3.44Å; L613-S616 WeakPolarHBondContact O-CA 3.43Å; L613-S616 WeakPolarHBondContact O-CB 3.08Å; L613-S616 PolarHBondContact O-N 2.8Å; F614-S616 PolarHBondContact O-N 2.9Å; S616-T618 PolarHBondContact O-N 2.85Å; S616-H619 PolarHBondContact O-N 2.94Å; S616-H619 VanDerWaalsContact O-N 3.16Å
617	L	95.7	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-23.8	176.6	-61.1	-179	0	0	0	112.7	L557 F559 L578 I581 L591 L613 F614 H619 I620 Y621 F624	L557-L617 HydrophobicContact CD1-CD1 4.22Å; F559-L617 HydrophobicContact CZ-CD1 4.02Å; L578-L617 HydrophobicContact CD2-CD2 3.78Å; I581-L617 HydrophobicContact CD1-CD2 3.42Å; I581-L617 VanDerWaalsContact CD1-CD2 3.42Å; L591-L617 HydrophobicContact CD2-CD1 3.87Å; L613-L617 PolarHBondContact O-N 2.9Å; L613-L617 VanDerWaalsContact O-N 3.12Å; F614-L617 HydrophobicContact CD2-CD1 4.33Å; F614-L617 WeakPolarHBondContact O-CB 2.99Å; F614-L617 PolarHBondContact O-N 2.8Å; F614-L617 VanDerWaalsContact O-N 3.09Å; L617-H619 PolarHBondContact O-N 3.45Å; L617-I620 HydrophobicContact CD2-CD1 4.22Å; L617-I620 PolarHBondContact O-N 3.1Å; L617-Y621 HydrophobicContact CB-CD2 4.23Å; L617-Y621 HydrophobicContact CB-CE2 4.48Å; L617-Y621 HydrophobicContact CD2-CE2 4.33Å; L617-Y621 PolarHBondContact O-N 3.06Å; L617-Y621 VanDerWaalsContact O-N 3.08Å; L617-F624 HydrophobicContact CB-CE1 4.49Å; L617-F624 HydrophobicContact CB-CZ 3.81Å
618	T	95.3	Very high	95.6	Very high	22 Å²	22	39 Å²	39	14%	0.135	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.6	175.6	64.9	0	0	0	0	112.8	R615 S616 F624 A687 A691	R615-T618 PolarHBondContact O-OG1 2.03Å; S616-T618 PolarHBondContact O-N 2.85Å; T618-F624 HydrophobicContact CG2-CE2 4.03Å; T618-A687 HydrophobicContact CG2-CB 4.49Å; T618-A691 HydrophobicContact CG2-CB 3.78Å
619	H	92.6	Very high	95.4	Very high	158 Å²	158	39.5 Å²	39.5	73%	0.731	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.6	173.7	-57	-58.6	0	0	0	113.3	S616 L617	S616-H619 PolarHBondContact O-N 2.94Å; S616-H619 VanDerWaalsContact O-N 3.16Å; L617-H619 PolarHBondContact O-N 3.45Å
620	I	92.8	Very high	95.2	Very high	43 Å²	43	38.6 Å²	38.6	22%	0.221	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-42.1	-178.3	-63.2	178.9	0	0	0	111.4	K505 L578 I581 L617	K505-I620 WeakPolarHBondContact CD-O 3.47Å; L578-I620 HydrophobicContact CB-CD1 4.04Å; L578-I620 HydrophobicContact CD1-CD1 4.42Å; L578-I620 HydrophobicContact CD2-CD1 3.82Å; L578-I620 HydrophobicContact CG-CD1 4.3Å; I581-I620 HydrophobicContact CD1-CD1 3.95Å; I581-I620 HydrophobicContact CG2-CG2 4.09Å; L617-I620 HydrophobicContact CD2-CD1 4.22Å; L617-I620 PolarHBondContact O-N 3.1Å
621	Y	96.1	Very high	95.1	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.02	18%	0.183	C	C	.	.			trans	-99.8	137.8	-177.7	-65	-76.4	0	0	0	111.2	K505 G507 D555 L557 L617 F624 A687	K505-Y621 HydrophobicContact CB-CD1 4.11Å; G507-Y621 VanDerWaalsContact N-CD1 3.33Å; D555-Y621 HydrophobicContact CB-CE1 3.84Å; D555-Y621 WeakPolarHBondContact CB-OH 3.26Å; D555-Y621 WeakPolarHBondContact OD2-CE1 3.49Å; D555-Y621 VanDerWaalsContact OD2-CZ 3.3Å; D555-Y621 PolarHBondContact OD2-OH 2.65Å; L557-Y621 HydrophobicContact CD1-CD2 4.34Å; L557-Y621 HydrophobicContact CD1-CE2 3.84Å; L557-Y621 HydrophobicContact CD2-CE2 4.25Å; L617-Y621 HydrophobicContact CB-CD2 4.23Å; L617-Y621 HydrophobicContact CB-CE2 4.48Å; L617-Y621 HydrophobicContact CD2-CE2 4.33Å; L617-Y621 PolarHBondContact O-N 3.06Å; L617-Y621 VanDerWaalsContact O-N 3.08Å; Y621-F624 AromaticContact CD2-CE1 3.52Å; Y621-F624 HydrophobicContact CD2-CE1 3.52Å; Y621-F624 HydrophobicContact CD2-CZ 4.09Å; Y621-F624 HydrophobicContact CE2-CE1 4.37Å; Y621-F624 HydrophobicContact CG-CD1 4.45Å; Y621-F624 AromaticContact CG-CE1 3.82Å; Y621-F624 HydrophobicContact CG-CE1 3.82Å; Y621-A687 WeakPolarHBondContact O-CB 3.21Å
622	D	94.9	Very high	95.1	Very high	78 Å²	78	34.9 Å²	34.9	42%	0.417	18%	0.18	S	C	.	.	S	Bend	trans	-72	-41.1	174.2	-56.5	-56.3	0	0	0	110	L504 K505 K686 A687	L504-D622 HydrophobicContact CD2-CB 4.38Å; K505-D622 PolarHBondContact N-OD2 3.42Å; K505-D622 PolarHBondContact O-N 3.01Å; D622-K686 WeakPolarHBondContact O-CA 3.29Å; D622-A687 PolarHBondContact O-N 3.42Å; D622-A687 VanDerWaalsContact O-N 3.14Å
623	Y	97.7	Very high	95.2	Very high	30 Å²	30	29.4 Å²	29.4	12%	0.118	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	148.2	-175.9	-71.8	-98.5	0	0	0	111.3	L504 K505 I506 G507 P642 F684 G685 K686	L504-Y623 HydrophobicContact CD1-CD2 4.22Å; L504-Y623 HydrophobicContact CD1-CE2 4.3Å; L504-Y623 HydrophobicContact CD2-CD2 4.5Å; L504-Y623 HydrophobicContact CD2-CE2 4.35Å; K505-Y623 PolarHBondContact O-N 2.99Å; I506-Y623 WeakPolarHBondContact CA-O 3.42Å; G507-Y623 PolarHBondContact N-O 2.71Å; Y623-P642 HydrophobicContact CD1-CG 4.19Å; Y623-P642 HydrophobicContact CD2-CG 4.47Å; Y623-P642 HydrophobicContact CE1-CB 4.1Å; Y623-P642 HydrophobicContact CE1-CG 3.55Å; Y623-P642 HydrophobicContact CE2-CG 3.89Å; Y623-F684 HydrophobicContact CD1-CD1 4.15Å; Y623-F684 AromaticContact CD1-CE1 3.45Å; Y623-F684 HydrophobicContact CD1-CE1 3.45Å; Y623-F684 VanDerWaalsContact CD1-CE1 3.45Å; Y623-F684 AromaticContact CD1-CZ 3.91Å; Y623-F684 HydrophobicContact CD1-CZ 3.91Å; Y623-F684 HydrophobicContact CE1-CE1 4.08Å; Y623-F684 AromaticContact CG-CE1 3.99Å; Y623-F684 HydrophobicContact CG-CE1 3.99Å; Y623-F684 AromaticContact CG-CZ 3.95Å; Y623-F684 HydrophobicContact CG-CZ 3.95Å; Y623-G685 VanDerWaalsContact CA-O 3.3Å; Y623-G685 WeakPolarHBondContact CA-O 3.49Å; Y623-G685 WeakPolarHBondContact CD1-O 3.48Å; Y623-K686 HydrophobicContact CD1-CG 4.49Å; Y623-K686 HydrophobicContact CE1-CG 3.83Å
624	F	98.5	Very high	95.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.9	165.1	-72.3	-44.2	0	0	0	110.7	G507 I509 L557 F614 L617 T618 Y621 F684 G685 A687 L690	G507-F624 VanDerWaalsContact O-CA 3.31Å; G507-F624 WeakPolarHBondContact O-CA 3.24Å; G507-F624 WeakPolarHBondContact O-CD1 3.15Å; I509-F624 HydrophobicContact CD1-CB 3.92Å; I509-F624 HydrophobicContact CD1-CD1 4Å; I509-F624 HydrophobicContact CD1-CD2 4.01Å; I509-F624 HydrophobicContact CD1-CG 3.74Å; I509-F624 HydrophobicContact CG1-CD1 4.22Å; I509-F624 HydrophobicContact CG1-CG 4.41Å; L557-F624 HydrophobicContact CD1-CD1 4.47Å; L557-F624 HydrophobicContact CD1-CE1 3.95Å; F614-F624 HydrophobicContact CE2-CD2 4.45Å; F614-F624 AromaticContact CE2-CE2 3.89Å; F614-F624 HydrophobicContact CE2-CE2 3.89Å; F614-F624 HydrophobicContact CE2-CZ 4.19Å; F614-F624 HydrophobicContact CZ-CD2 4.4Å; F614-F624 HydrophobicContact CZ-CE2 4.01Å; L617-F624 HydrophobicContact CB-CE1 4.49Å; L617-F624 HydrophobicContact CB-CZ 3.81Å; T618-F624 HydrophobicContact CG2-CE2 4.03Å; Y621-F624 AromaticContact CD2-CE1 3.52Å; Y621-F624 HydrophobicContact CD2-CE1 3.52Å; Y621-F624 HydrophobicContact CD2-CZ 4.09Å; Y621-F624 HydrophobicContact CE2-CE1 4.37Å; Y621-F624 HydrophobicContact CG-CD1 4.45Å; Y621-F624 AromaticContact CG-CE1 3.82Å; Y621-F624 HydrophobicContact CG-CE1 3.82Å; F624-F684 WeakPolarHBondContact O-CA 3.35Å; F624-G685 PolarHBondContact N-O 2.83Å; F624-G685 PolarHBondContact O-N 3.3Å; F624-G685 VanDerWaalsContact O-N 3.08Å; F624-A687 HydrophobicContact CD2-CB 3.62Å; F624-A687 HydrophobicContact CE2-CB 3.62Å; F624-A687 HydrophobicContact CG-CB 4.14Å; F624-A687 HydrophobicContact CZ-CB 4.13Å; F624-L690 HydrophobicContact CB-CD1 3.94Å; F624-L690 HydrophobicContact CB-CD2 4.06Å; F624-L690 HydrophobicContact CB-CG 4.41Å; F624-L690 HydrophobicContact CD2-CD2 4.32Å
625	L	98.4	Very high	94.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104	161.6	176.9	63.4	0	0	0	107.2	G507 V508 I509 L633 L637 T682 W683 F684 L763	G507-L625 PolarHBondContact O-N 2.74Å; V508-L625 CarbonylContact C-O 3.54Å; V508-L625 WeakPolarHBondContact CA-O 3.22Å; V508-L625 HydrophobicContact CG1-CD2 4.24Å; V508-L625 HydrophobicContact CG1-CG 4.49Å; V508-L625 HydrophobicContact CG2-CB 4.29Å; V508-L625 HydrophobicContact CG2-CD2 4.2Å; I509-L625 PolarHBondContact N-O 3.05Å; L625-L633 HydrophobicContact CD2-CD2 3.76Å; L625-L637 HydrophobicContact CD2-CD2 4.17Å; L625-T682 HydrophobicContact CD1-CG2 3.58Å; L625-W683 CarbonylContact C-O 3.59Å; L625-W683 WeakPolarHBondContact CA-O 3.47Å; L625-F684 HydrophobicContact CB-CD2 4.03Å; L625-F684 HydrophobicContact CD1-CB 4.06Å; L625-F684 HydrophobicContact CD1-CD2 4.12Å; L625-L763 HydrophobicContact CD1-CD2 4.09Å
626	R	97.3	Very high	94	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.023	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.9	172.4	176.2	-172.4	166.3	-134.9	-8.4	108.9	T605 Y606 F608 T682 W683 L690	T605-R626 VanDerWaalsContact CG2-NH2 3.26Å; T605-R626 PolarHBondContact OG1-NH2 2.71Å; Y606-R626 VanDerWaalsContact CE1-NH2 3.3Å; Y606-R626 VanDerWaalsContact CZ-CZ 3.49Å; Y606-R626 PolarHBondContact OH-NH1 3.4Å; Y606-R626 PolarHBondContact OH-NH2 2.88Å; F608-R626 HydrophobicContact CE1-CG 4.39Å; R626-T682 VanDerWaalsContact O-CA 3.31Å; R626-T682 WeakPolarHBondContact O-CA 3.47Å; R626-T682 WeakPolarHBondContact O-CG2 3.4Å; R626-W683 HydrophobicContact CB-CB 4.42Å; R626-W683 PolarHBondContact N-O 2.6Å; R626-W683 PolarHBondContact O-N 3.03Å; R626-L690 HydrophobicContact CB-CD1 4.23Å; R626-L690 HydrophobicContact CB-CD2 4.21Å
627	T	96	Very high	93.7	Very high	6 Å²	6	22 Å²	22	4%	0.037	11%	0.111	C	C	.	.			trans	-150	169.4	-176.5	-173.4	0	0	0	0	112.8	V508 I509 V631 T682 H778	V508-T627 HydrophobicContact CG1-CG2 4.01Å; I509-T627 PolarHBondContact O-N 2.97Å; T627-V631 HydrophobicContact CG2-CG2 3.95Å; T627-V631 WeakPolarHBondContact OG1-CG1 3.49Å; T627-T682 PolarHBondContact OG1-OG1 2.9Å; T627-H778 PolarHBondContact OG1-CE1 3.13Å; T627-H778 PolarHBondContact OG1-NE2 3.04Å
628	D	92.8	Very high	93.1	Very high	48 Å²	48	22.2 Å²	22.2	26%	0.257	11%	0.112	S	C	.	.			trans	-76.2	174.1	168.3	-61.7	-42	0	0	0	110.9	D630 V631 S681 H780	D628-D630 VanDerWaalsContact CB-OD1 3.28Å; D628-D630 WeakPolarHBondContact CB-OD1 3.25Å; D628-V631 HydrophobicContact CB-CG1 4.2Å; D628-V631 VanDerWaalsContact O-CG2 3.23Å; D628-V631 WeakPolarHBondContact O-CG2 3.49Å; D628-S681 PolarHBondContact OD2-OG 3.07Å; D628-H780 IonicContact OD2-CD2 3.4Å; D628-H780 IonicContact OD2-NE2 3.64Å; D628-H780 PolarHBondContact OD2-NE2 3.11Å
629	L	92.6	Very high	92.4	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.047	12%	0.116	C	C	.	.	S	Bend	trans	-84.1	-24.1	178.1	-64.8	-178.4	0	0	0	113	V511 L512 F520 E523 L524 L528 V631	V511-L629 WeakPolarHBondContact O-CD1 3.23Å; L512-L629 HydrophobicContact CD1-CD1 3.87Å; F520-L629 HydrophobicContact CB-CD1 4Å; E523-L629 HydrophobicContact CB-CB 4.29Å; L524-L629 HydrophobicContact CB-CD1 4.33Å; L524-L629 HydrophobicContact CB-CD2 4.24Å; L524-L629 HydrophobicContact CD1-CD2 3.98Å; L528-L629 HydrophobicContact CD2-CD2 4.05Å; L629-V631 PolarHBondContact O-N 2.9Å
630	D	92.9	Very high	92.1	Very high	19 Å²	19	16.7 Å²	16.7	10%	0.102	9%	0.087	C	C	.	.	S	Bend	trans	-87.9	51.5	-173.8	68.2	-30.2	0	0	0	111.7	E523 D628 H780 T781 K790	E523-D630 HydrophobicContact CB-CB 4.43Å; E523-D630 HydrophobicContact CG-CB 4.14Å; D628-D630 VanDerWaalsContact CB-OD1 3.28Å; D628-D630 WeakPolarHBondContact CB-OD1 3.25Å; D630-H780 IonicContact OD1-CE1 2.7Å; D630-H780 IonicContact OD1-NE2 3.78Å; D630-H780 PolarHBondContact OD1-NE2 2.93Å; D630-H780 IonicContact OD2-CE1 3.46Å; D630-T781 VanDerWaalsContact CB-OG1 3.29Å; D630-T781 WeakPolarHBondContact CB-OG1 3.24Å; D630-T781 WeakPolarHBondContact O-CB 3.45Å; D630-T781 WeakPolarHBondContact O-CG2 3.09Å; D630-T781 PolarHBondContact O-N 3.08Å; D630-T781 PolarHBondContact O-OG1 2.85Å; D630-K790 HydrophobicContact CB-CD 4.13Å; D630-K790 IonicContact OD2-NZ 3.77Å; D630-K790 PolarHBondContact OD2-NZ 3.15Å
631	V	94.9	Very high	91.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.5	-170	-54.3	0	0	0	0	112.1	F527 L528 T627 D628 L629 H778 I779	F527-V631 CarbonylContact C-O 3.46Å; F527-V631 VanDerWaalsContact CB-O 3.25Å; F527-V631 WeakPolarHBondContact CB-O 3.41Å; L528-V631 WeakPolarHBondContact CA-O 3.22Å; L528-V631 HydrophobicContact CB-CG2 4.41Å; L528-V631 HydrophobicContact CD1-CG2 3.96Å; L528-V631 PolarHBondContact N-O 2.68Å; L528-V631 VanDerWaalsContact N-O 3.15Å; T627-V631 HydrophobicContact CG2-CG2 3.95Å; T627-V631 WeakPolarHBondContact OG1-CG1 3.49Å; D628-V631 HydrophobicContact CB-CG1 4.2Å; D628-V631 VanDerWaalsContact O-CG2 3.23Å; D628-V631 WeakPolarHBondContact O-CG2 3.49Å; L629-V631 PolarHBondContact O-N 2.9Å; V631-H778 WeakPolarHBondContact CB-NE2 3.45Å; V631-H778 WeakPolarHBondContact CG1-NE2 3.21Å; V631-I779 CarbonylContact C-O 3.55Å; V631-I779 WeakPolarHBondContact CA-O 3.45Å; V631-I779 VanDerWaalsContact CB-O 3.29Å; V631-I779 WeakPolarHBondContact CB-O 3.2Å
632	F	95.7	Very high	91.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.7	170.8	-59.6	-100	0	0	0	110.4	F527 I779 T781 F788 Y827 C828 I831 A832	F527-F632 HydrophobicContact CB-CD1 4.19Å; F527-F632 HydrophobicContact CB-CD2 4.28Å; F527-F632 HydrophobicContact CB-CE1 3.89Å; F527-F632 HydrophobicContact CB-CE2 3.99Å; F527-F632 HydrophobicContact CB-CG 4.38Å; F527-F632 HydrophobicContact CB-CZ 3.79Å; F527-F632 AromaticContact CD1-CE1 3.77Å; F527-F632 HydrophobicContact CD1-CE1 3.77Å; F527-F632 AromaticContact CD1-CE2 3.99Å; F527-F632 HydrophobicContact CD1-CE2 3.99Å; F527-F632 AromaticContact CD1-CZ 3.26Å; F527-F632 HydrophobicContact CD1-CZ 3.26Å; F527-F632 HydrophobicContact CD2-CE2 4.4Å; F527-F632 HydrophobicContact CD2-CZ 4.44Å; F527-F632 AromaticContact CE1-CZ 3.97Å; F527-F632 HydrophobicContact CE1-CZ 3.97Å; F527-F632 HydrophobicContact CG-CE1 4.1Å; F527-F632 AromaticContact CG-CE2 3.88Å; F527-F632 HydrophobicContact CG-CE2 3.88Å; F527-F632 AromaticContact CG-CZ 3.58Å; F527-F632 HydrophobicContact CG-CZ 3.58Å; F632-I779 HydrophobicContact CB-CB 4.19Å; F632-I779 PolarHBondContact N-O 3.35Å; F632-I779 PolarHBondContact O-N 3.29Å; F632-T781 HydrophobicContact CD2-CG2 3.91Å; F632-T781 HydrophobicContact CE2-CG2 3.5Å; F632-T781 VanDerWaalsContact CE2-CG2 3.5Å; F632-F788 HydrophobicContact CE2-CD1 4.45Å; F632-F788 AromaticContact CE2-CE1 3.73Å; F632-F788 HydrophobicContact CE2-CE1 3.73Å; F632-F788 AromaticContact CE2-CZ 3.9Å; F632-F788 HydrophobicContact CE2-CZ 3.9Å; F632-F788 AromaticContact CZ-CE1 3.96Å; F632-F788 HydrophobicContact CZ-CE1 3.96Å; F632-F788 HydrophobicContact CZ-CE2 4.22Å; F632-F788 AromaticContact CZ-CZ 3.62Å; F632-F788 HydrophobicContact CZ-CZ 3.62Å; F632-Y827 HydrophobicContact CB-CE1 3.98Å; F632-C828 HydrophobicContact CD2-CB 4.1Å; F632-C828 WeakPolarHBondContact CD2-SG 3.27Å; F632-C828 HydrophobicContact CE1-CB 4.44Å; F632-C828 HydrophobicContact CE2-CB 3.74Å; F632-C828 HydrophobicContact CZ-CB 3.93Å; F632-I831 HydrophobicContact CD1-CB 3.94Å; F632-I831 HydrophobicContact CD1-CG2 3.78Å; F632-I831 HydrophobicContact CE1-CB 3.83Å; F632-I831 HydrophobicContact CE1-CG2 3.78Å; F632-A832 HydrophobicContact CE1-CB 4.29Å; F632-A832 HydrophobicContact CZ-CB 4.15Å
633	L	95.3	Very high	90.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	150.3	167.5	-54.9	-176.7	0	0	0	109.7	V508 L528 S531 W532 I535 L625 L637 Y827	V508-L633 HydrophobicContact CG1-CD1 4.35Å; V508-L633 HydrophobicContact CG1-CD2 4.25Å; V508-L633 HydrophobicContact CG2-CD1 4.03Å; L528-L633 HydrophobicContact CD1-CD1 4.16Å; L528-L633 HydrophobicContact CD1-CD2 4.16Å; L528-L633 HydrophobicContact CD1-CG 3.97Å; S531-L633 WeakPolarHBondContact CB-O 3.24Å; S531-L633 PolarHBondContact OG-N 3.17Å; W532-L633 HydrophobicContact CB-CD1 3.97Å; W532-L633 HydrophobicContact CG-CD1 4.48Å; I535-L633 HydrophobicContact CD1-CB 4.35Å; I535-L633 HydrophobicContact CD1-CD1 4.47Å; L625-L633 HydrophobicContact CD2-CD2 3.76Å; L633-L637 HydrophobicContact CD1-CD2 4.46Å; L633-L637 HydrophobicContact CD2-CD2 4.33Å; L633-Y827 VanDerWaalsContact O-CE1 3.3Å; L633-Y827 WeakPolarHBondContact O-CE1 3.4Å; L633-Y827 VanDerWaalsContact O-CZ 3.3Å; L633-Y827 PolarHBondContact O-OH 2.85Å
634	S	90.8	Very high	89.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.			trans	-110.9	157.3	177	70.3	0	0	0	0	112.3	I535 T636 L637 H776 L777	I535-S634 VanDerWaalsContact CG2-C 3.44Å; S634-T636 PolarHBondContact O-N 3.38Å; S634-T636 VanDerWaalsContact O-N 3.16Å; S634-L637 WeakPolarHBondContact O-CB 3.2Å; S634-L637 PolarHBondContact O-N 3.09Å; S634-L637 VanDerWaalsContact O-N 3.15Å; S634-H776 PolarHBondContact OG-O 2.81Å; S634-L777 WeakPolarHBondContact CB-O 3.39Å; S634-L777 PolarHBondContact N-O 3.21Å; S634-L777 WeakPolarHBondContact OG-CA 3.28Å; S634-L777 PolarHBondContact OG-O 2.8Å
635	P	83.9	Confident	89.4	Confident	8 Å²	8	25 Å²	25	5%	0.052	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.7	176.3	-20.4	28.5	0	0	0	114	I535 L637 L638 V819	I535-P635 HydrophobicContact CG2-CB 4.35Å; I535-P635 HydrophobicContact CG2-CG 4.15Å; P635-L637 PolarHBondContact O-N 3.39Å; P635-L637 VanDerWaalsContact O-N 3.15Å; P635-L638 WeakPolarHBondContact O-CB 3.03Å; P635-L638 PolarHBondContact O-N 2.94Å; P635-V819 HydrophobicContact CG-CG2 3.38Å
636	T	85.6	Confident	89.3	Confident	27 Å²	27	25 Å²	25	17%	0.166	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-56.1	-31.3	177.8	-41.9	0	0	0	0	111.8	S634 L638 T639 Y640 S774 H776 L777	S634-T636 PolarHBondContact O-N 3.38Å; S634-T636 VanDerWaalsContact O-N 3.16Å; T636-L638 PolarHBondContact O-N 3.22Å; T636-L638 VanDerWaalsContact O-N 3.15Å; T636-T639 PolarHBondContact O-N 2.97Å; T636-T639 PolarHBondContact O-OG1 3.49Å; T636-Y640 PolarHBondContact O-N 3.15Å; T636-S774 VanDerWaalsContact OG1-C 3.27Å; T636-S774 WeakPolarHBondContact OG1-CA 3.26Å; T636-S774 PolarHBondContact OG1-O 3.38Å; T636-H776 WeakPolarHBondContact CB-O 3.32Å; T636-H776 PolarHBondContact OG1-O 3.01Å; T636-L777 HydrophobicContact CG2-CD2 3.69Å
637	L	88.5	Confident	89.2	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.5	178.4	-167.6	60.8	0	0	0	112.7	I506 N552 I554 L625 L633 S634 P635 T639 F684	I506-L637 HydrophobicContact CD1-CD1 4.25Å; N552-L637 PolarHBondContact ND2-O 2.75Å; I554-L637 HydrophobicContact CD1-CB 3.91Å; I554-L637 HydrophobicContact CD1-CD2 3.85Å; I554-L637 HydrophobicContact CD1-CG 3.62Å; I554-L637 HydrophobicContact CG1-CD2 4.47Å; I554-L637 HydrophobicContact CG1-CG 4.34Å; I554-L637 HydrophobicContact CG2-CD2 4.17Å; L625-L637 HydrophobicContact CD2-CD2 4.17Å; L633-L637 HydrophobicContact CD1-CD2 4.46Å; L633-L637 HydrophobicContact CD2-CD2 4.33Å; S634-L637 WeakPolarHBondContact O-CB 3.2Å; S634-L637 PolarHBondContact O-N 3.09Å; S634-L637 VanDerWaalsContact O-N 3.15Å; P635-L637 PolarHBondContact O-N 3.39Å; P635-L637 VanDerWaalsContact O-N 3.15Å; L637-T639 VanDerWaalsContact C-N 3.27Å; L637-T639 PolarHBondContact O-N 3.34Å; L637-F684 HydrophobicContact CD1-CE2 4.22Å
638	L	83.2	Confident	89.3	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-66.8	-26.8	176.6	-70.8	173.2	0	0	0	113.6	F501 I535 Y551 N552 I554 P635 T636	F501-L638 HydrophobicContact CE1-CD2 4.31Å; I535-L638 HydrophobicContact CB-CD1 4.37Å; I535-L638 VanDerWaalsContact O-CD1 3.23Å; I535-L638 WeakPolarHBondContact O-CD1 3.5Å; Y551-L638 CarbonylContact C-O 3.6Å; Y551-L638 WeakPolarHBondContact CA-O 3.3Å; Y551-L638 HydrophobicContact CD1-CB 3.91Å; N552-L638 WeakPolarHBondContact CB-O 3.28Å; N552-L638 PolarHBondContact N-O 3.39Å; N552-L638 PolarHBondContact ND2-O 3.45Å; I554-L638 HydrophobicContact CD1-CD2 3.69Å; I554-L638 HydrophobicContact CD1-CG 4.14Å; I554-L638 HydrophobicContact CG1-CD2 4.47Å; P635-L638 WeakPolarHBondContact O-CB 3.03Å; P635-L638 PolarHBondContact O-N 2.94Å; T636-L638 PolarHBondContact O-N 3.22Å; T636-L638 VanDerWaalsContact O-N 3.15Å
639	T	80	Confident	89.3	Confident	35 Å²	35	22.3 Å²	22.3	22%	0.215	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-4.2	-176.9	58.5	0	0	0	0	112.7	L541 Y551 T636 L637 R641	L541-T639 HydrophobicContact CD1-CG2 3.99Å; Y551-T639 HydrophobicContact CD1-CG2 3.69Å; Y551-T639 HydrophobicContact CE1-CG2 3.56Å; T636-T639 PolarHBondContact O-N 2.97Å; T636-T639 PolarHBondContact O-OG1 3.49Å; L637-T639 VanDerWaalsContact C-N 3.27Å; L637-T639 PolarHBondContact O-N 3.34Å; T639-R641 PolarHBondContact O-N 3.44Å; T639-R641 PolarHBondContact O-NH1 3.08Å
640	Y	85.7	Confident	89.3	Confident	30 Å²	30	27 Å²	27	12%	0.118	14%	0.139	C	C	.	.			trans	-60.2	135.8	-178.9	-174.9	-118	0	0	0	111.6	N552 T636 P642 I647 F684 L762 L777	N552-Y640 PolarHBondContact ND2-O 2.83Å; T636-Y640 PolarHBondContact O-N 3.15Å; Y640-P642 HydrophobicContact CE1-CB 3.94Å; Y640-I647 WeakPolarHBondContact OH-CD1 3.3Å; Y640-F684 HydrophobicContact CD1-CE1 4.17Å; Y640-F684 HydrophobicContact CD1-CZ 4.06Å; Y640-F684 HydrophobicContact CE1-CD1 4.12Å; Y640-F684 AromaticContact CE1-CE1 3.78Å; Y640-F684 HydrophobicContact CE1-CE1 3.78Å; Y640-F684 HydrophobicContact CE1-CZ 4.14Å; Y640-L762 HydrophobicContact CE2-CD1 4.15Å; Y640-L777 HydrophobicContact CD1-CD1 3.62Å; Y640-L777 HydrophobicContact CD1-CD2 4.3Å; Y640-L777 HydrophobicContact CD2-CD1 3.76Å; Y640-L777 HydrophobicContact CD2-CD2 3.71Å; Y640-L777 HydrophobicContact CD2-CG 4.29Å; Y640-L777 HydrophobicContact CE1-CD1 3.57Å; Y640-L777 HydrophobicContact CE2-CD1 3.74Å; Y640-L777 HydrophobicContact CE2-CD2 4.44Å; Y640-L777 HydrophobicContact CG-CD1 3.71Å; Y640-L777 HydrophobicContact CG-CD2 3.63Å; Y640-L777 HydrophobicContact CG-CG 4.33Å
641	R	82.4	Confident	88.9	Confident	95 Å²	95	26.6 Å²	26.6	36%	0.358	14%	0.14	S	C	.	.			trans	-126.2	111.8	173.4	-66.3	-63.2	179.7	-84.6	6.3	107.6	S550 N552 T639	S550-R641 PolarHBondContact O-NH2 3.41Å; N552-R641 VanDerWaalsContact CG-NH1 3.34Å; N552-R641 PolarHBondContact ND2-NH1 3.12Å; N552-R641 PolarHBondContact OD1-NH1 2.81Å; T639-R641 PolarHBondContact O-N 3.44Å; T639-R641 PolarHBondContact O-NH1 3.08Å
642	P	85.3	Confident	88.5	Confident	27 Å²	27	28.5 Å²	28.5	18%	0.175	16%	0.156	C	C	.	.			trans	-69.5	136	-176.8	27.2	-32.4	0	0	0	111.1	L504 Y623 Y640 F684	L504-P642 HydrophobicContact CD1-CG 4.32Å; Y623-P642 HydrophobicContact CD1-CG 4.19Å; Y623-P642 HydrophobicContact CD2-CG 4.47Å; Y623-P642 HydrophobicContact CE1-CB 4.1Å; Y623-P642 HydrophobicContact CE1-CG 3.55Å; Y623-P642 HydrophobicContact CE2-CG 3.89Å; Y640-P642 HydrophobicContact CE1-CB 3.94Å; P642-F684 HydrophobicContact CB-CE1 3.86Å; P642-F684 HydrophobicContact CG-CE1 4.01Å
643	T	81.6	Confident	88.3	Confident	129 Å²	129	28.5 Å²	28.5	79%	0.791	16%	0.156	S	C	*	.	S	Bend	trans	-94.6	-19.5	173.2	54.8	0	0	0	0	113
644	K	85.9	Confident	88.1	Confident	46 Å²	46	29.4 Å²	29.4	20%	0.2	16%	0.162	C	C	.	.	S	Bend	trans	-112.2	154.3	172.1	-63.4	-161.5	178.6	-161.7	0	110.5	F646 I647 S754 E756	K644-F646 PolarHBondContact O-N 3.32Å; K644-I647 HydrophobicContact CB-CG2 4.1Å; K644-S754 PolarHBondContact NZ-OG 3.09Å; K644-E756 VanDerWaalsContact NZ-CB 3.32Å; K644-E756 IonicContact NZ-OE2 3.35Å; K644-E756 PolarHBondContact NZ-OE2 3.38Å
645	S	88.2	Confident	88.2	Confident	33 Å²	33	32 Å²	32	23%	0.231	18%	0.177	C	C	.	.	S	Bend	trans	-65.7	-25.1	176.5	62.1	0	0	0	0	112.5	G685 K686	S645-G685 CarbonylContact O-C 3.59Å; S645-G685 WeakPolarHBondContact O-CA 3.31Å; S645-K686 PolarHBondContact O-N 3.35Å
646	F	95.9	Very high	88.8	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	139.7	-176.8	-168.6	-84.8	0	0	0	110	K644 W683 F684 L689 L690 L693 L746 L750 T757	K644-F646 PolarHBondContact O-N 3.32Å; F646-W683 HydrophobicContact CE1-CG 4.35Å; F646-W683 HydrophobicContact CE2-CB 4.1Å; F646-W683 HydrophobicContact CE2-CD2 4.24Å; F646-W683 HydrophobicContact CE2-CE3 4.1Å; F646-W683 HydrophobicContact CE2-CG 4.3Å; F646-W683 HydrophobicContact CZ-CB 3.71Å; F646-W683 AromaticContact CZ-CD2 3.55Å; F646-W683 HydrophobicContact CZ-CD2 3.55Å; F646-W683 AromaticContact CZ-CE3 3.82Å; F646-W683 HydrophobicContact CZ-CE3 3.82Å; F646-W683 AromaticContact CZ-CG 3.53Å; F646-W683 HydrophobicContact CZ-CG 3.53Å; F646-F684 CarbonylContact C-O 3.57Å; F646-F684 WeakPolarHBondContact CA-O 3.42Å; F646-L689 HydrophobicContact CB-CD2 4.05Å; F646-L689 HydrophobicContact CD2-CD2 4.4Å; F646-L690 HydrophobicContact CE2-CB 4.49Å; F646-L690 HydrophobicContact CE2-CD1 4.48Å; F646-L690 HydrophobicContact CE2-CG 4.49Å; F646-L693 HydrophobicContact CD2-CD1 3.95Å; F646-L693 HydrophobicContact CE2-CD1 3.74Å; F646-L693 HydrophobicContact CZ-CD1 4.24Å; F646-L746 HydrophobicContact CE1-CD1 3.62Å; F646-L746 HydrophobicContact CE1-CD2 3.89Å; F646-L746 HydrophobicContact CE1-CG 4.46Å; F646-L746 HydrophobicContact CZ-CD1 4.12Å; F646-L746 HydrophobicContact CZ-CD2 3.86Å; F646-L750 HydrophobicContact CB-CD1 4.37Å; F646-L750 HydrophobicContact CB-CD2 4.18Å; F646-L750 HydrophobicContact CD1-CD2 3.91Å; F646-L750 HydrophobicContact CG-CD2 4.28Å; F646-T757 HydrophobicContact CD1-CG2 4.29Å; F646-T757 WeakPolarHBondContact O-CG2 3.48Å
647	I	96.7	Very high	89.3	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.9	168.2	59	167.4	0	0	0	109.5	Y640 K644 F684 T757 R759 L762 L763	Y640-I647 WeakPolarHBondContact OH-CD1 3.3Å; K644-I647 HydrophobicContact CB-CG2 4.1Å; I647-F684 HydrophobicContact CD1-CB 4.38Å; I647-F684 HydrophobicContact CG1-CB 3.88Å; I647-F684 HydrophobicContact CG1-CD1 4.26Å; I647-F684 PolarHBondContact N-O 3.12Å; I647-F684 PolarHBondContact O-N 2.73Å; I647-T757 WeakPolarHBondContact CA-O 3.38Å; I647-R759 HydrophobicContact CB-CG 4.26Å; I647-R759 HydrophobicContact CD1-CB 4.37Å; I647-R759 HydrophobicContact CD1-CG 4.41Å; I647-R759 HydrophobicContact CG2-CG 4.11Å; I647-L762 HydrophobicContact CD1-CD1 4.43Å; I647-L763 HydrophobicContact CD1-CD1 3.88Å; I647-L763 HydrophobicContact CD1-CG 4.26Å; I647-L763 HydrophobicContact CG1-CD1 3.82Å
648	T	96.9	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.2	177.4	176.2	0	0	0	0	110.3	I679 G680 T682 L746 T757 I758 R759	T648-I679 HydrophobicContact CG2-CG1 4.36Å; T648-I679 HydrophobicContact CG2-CG2 4.25Å; T648-G680 PolarHBondContact OG1-N 3.47Å; T648-G680 PolarHBondContact OG1-O 3.03Å; T648-G680 VanDerWaalsContact OG1-O 3.12Å; T648-T682 VanDerWaalsContact CA-O 3.3Å; T648-T682 WeakPolarHBondContact CA-O 3.41Å; T648-T682 PolarHBondContact OG1-O 3.35Å; T648-L746 HydrophobicContact CG2-CD1 4.48Å; T648-T757 PolarHBondContact N-O 2.93Å; T648-I758 HydrophobicContact CG2-CG1 4.09Å; T648-I758 CarbonylContact O-C 3.33Å; T648-R759 PolarHBondContact O-N 3.5Å
649	G	93.8	Very high	90.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-161.6	166.7	0	0	0	0	0	112.4	G680 T682 I758 D764	G649-G680 WeakPolarHBondContact O-CA 3.4Å; G649-G680 PolarHBondContact O-N 2.86Å; G649-T682 PolarHBondContact N-O 3.32Å; G649-T682 VanDerWaalsContact N-O 3.07Å; G649-I758 WeakPolarHBondContact O-CG2 3.26Å; G649-D764 VanDerWaalsContact CA-OD2 3.32Å; G649-D764 WeakPolarHBondContact CA-OD2 3.39Å
650	K	91.4	Very high	91.1	Very high	107 Å²	107	49 Å²	49	47%	0.465	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.4	-177.4	-174.1	179.6	-179.9	-178.5	0	110.9	D678 I758	K650-D678 WeakPolarHBondContact CA-O 3.03Å; K650-D678 HydrophobicContact CG-CB 4.29Å; K650-I758 HydrophobicContact CB-CG2 4.12Å; K650-I758 HydrophobicContact CG-CG2 4.42Å
651	G	85.8	Confident	91.6	Very high	11 Å²	11	47.7 Å²	47.7	11%	0.113	24%	0.244	C	C	.	.			trans	-86.4	-20	-172.5	0	0	0	0	0	116.7	Y653 D678	G651-Y653 PolarHBondContact O-N 3.34Å; G651-Y653 VanDerWaalsContact O-N 3.15Å; G651-D678 PolarHBondContact N-O 3.38Å
652	A	86.8	Confident	92.3	Very high	40 Å²	40	43.1 Å²	43.1	33%	0.331	23%	0.227	S	C	.	.			trans	49.2	36.3	179.5	0	0	0	0	0	115.6	W782	A652-W782 HydrophobicContact CB-CH2 3.56Å; A652-W782 HydrophobicContact CB-CZ3 3.88Å
653	Y	90.5	Very high	92.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.			trans	-109.3	-1	178.4	58.6	-102.4	0	0	0	113.3	G651 T658 L662 D678 I679 A730 T736 M739 Y740 E743	G651-Y653 PolarHBondContact O-N 3.34Å; G651-Y653 VanDerWaalsContact O-N 3.15Å; Y653-T658 HydrophobicContact CD2-CG2 4.39Å; Y653-L662 HydrophobicContact CE2-CD1 4.17Å; Y653-D678 PolarHBondContact N-OD1 3.49Å; Y653-I679 VanDerWaalsContact CE1-O 3.24Å; Y653-I679 WeakPolarHBondContact CE1-O 3.4Å; Y653-I679 PolarHBondContact OH-N 2.68Å; Y653-I679 VanDerWaalsContact OH-N 3.11Å; Y653-I679 PolarHBondContact OH-O 3.37Å; Y653-A730 VanDerWaalsContact O-O 3.07Å; Y653-T736 HydrophobicContact CD1-CG2 4.13Å; Y653-T736 HydrophobicContact CD2-CG2 4.4Å; Y653-T736 HydrophobicContact CG-CG2 3.89Å; Y653-M739 HydrophobicContact CD1-CB 3.94Å; Y653-M739 HydrophobicContact CD1-CE 3.63Å; Y653-M739 HydrophobicContact CD1-CG 4.46Å; Y653-M739 HydrophobicContact CD1-SD 3.68Å; Y653-M739 HydrophobicContact CE1-CB 3.53Å; Y653-M739 HydrophobicContact CE1-CE 3.67Å; Y653-M739 HydrophobicContact CE1-CG 4.35Å; Y653-M739 HydrophobicContact CE1-SD 4.04Å; Y653-Y740 AromaticContact CD2-CD1 3.94Å; Y653-Y740 HydrophobicContact CD2-CD1 3.94Å; Y653-Y740 AromaticContact CD2-CE1 3.55Å; Y653-Y740 HydrophobicContact CD2-CE1 3.55Å; Y653-Y740 AromaticContact CE2-CD1 3.84Å; Y653-Y740 HydrophobicContact CE2-CD1 3.84Å; Y653-Y740 AromaticContact CE2-CE1 3.95Å; Y653-Y740 HydrophobicContact CE2-CE1 3.95Å; Y653-Y740 HydrophobicContact CG-CE1 4.3Å; Y653-E743 WeakPolarHBondContact CE2-OE2 3.39Å; Y653-E743 PolarHBondContact OH-OE2 2.82Å
654	C	90.6	Very high	93.7	Very high	18 Å²	18	43.9 Å²	43.9	12%	0.122	22%	0.218	C	C	.	.			trans	-94.9	124.1	-177.4	-66.1	0	0	0	0	113.1	R659 D678	C654-R659 HydrophobicContact CB-CG 3.75Å; C654-D678 VanDerWaalsContact CB-CG 3.47Å; C654-D678 WeakPolarHBondContact CB-OD1 3.36Å; C654-D678 WeakPolarHBondContact CB-OD2 3.47Å; C654-D678 PolarHBondContact N-OD1 3.03Å; C654-D678 PolarHBondContact SG-N 3.45Å; C654-D678 VanDerWaalsContact SG-N 3.42Å; C654-D678 PolarHBondContact SG-OD1 2.94Å
655	V	94.3	Very high	94.2	Very high	54 Å²	54	41.7 Å²	41.7	33%	0.327	21%	0.208	S	C	.	.			trans	-107.9	175.7	155.5	-61.9	0	0	0	0	110.1	F657 T658 R659 A730 E731	V655-F657 HydrophobicContact CG2-CB 4.28Å; V655-F657 PolarHBondContact O-N 3.35Å; V655-T658 VanDerWaalsContact CG2-OG1 3.28Å; V655-T658 WeakPolarHBondContact CG2-OG1 3.05Å; V655-T658 PolarHBondContact N-OG1 2.93Å; V655-T658 WeakPolarHBondContact O-CB 2.86Å; V655-T658 PolarHBondContact O-N 2.02Å; V655-R659 WeakPolarHBondContact O-CG 3.3Å; V655-R659 PolarHBondContact O-N 3.43Å; V655-A730 HydrophobicContact CG1-CB 4.23Å; V655-E731 HydrophobicContact CG2-CB 4.44Å; V655-E731 HydrophobicContact CG2-CG 4.19Å
656	D	95.2	Very high	94.7	Very high	139 Å²	139	40.1 Å²	40.1	74%	0.743	20%	0.197	S	C	*	.	H	α-helix	trans	-53.6	-40.7	-177.9	-72.2	-20.5	0	0	0	113	K660	D656-K660 PolarHBondContact O-N 3.28Å; D656-K660 VanDerWaalsContact O-N 3.15Å
657	F	96.4	Very high	94.8	Very high	59 Å²	59	46.3 Å²	46.3	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-54.2	174.4	-179.3	-90.1	0	0	0	111.3	V655 R659 K660 H661 E716 I717 F720 W732	V655-F657 HydrophobicContact CG2-CB 4.28Å; V655-F657 PolarHBondContact O-N 3.35Å; F657-R659 VanDerWaalsContact C-N 3.31Å; F657-R659 PolarHBondContact O-N 2.89Å; F657-K660 PolarHBondContact O-N 2.99Å; F657-H661 HydrophobicContact CD1-CB 4.31Å; F657-H661 HydrophobicContact CE1-CB 3.89Å; F657-H661 AromaticContact CE1-CG 3.97Å; F657-H661 HydrophobicContact CZ-CB 4.16Å; F657-H661 VanDerWaalsContact O-CB 3.27Å; F657-H661 WeakPolarHBondContact O-CB 3.41Å; F657-H661 PolarHBondContact O-N 3.26Å; F657-E716 HydrophobicContact CZ-CG 4.41Å; F657-I717 HydrophobicContact CE1-CG2 4.1Å; F657-I717 HydrophobicContact CZ-CG2 3.87Å; F657-F720 HydrophobicContact CD1-CD2 4.4Å; F657-F720 AromaticContact CD1-CE2 3.64Å; F657-F720 HydrophobicContact CD1-CE2 3.64Å; F657-F720 HydrophobicContact CD1-CZ 4.32Å; F657-F720 AromaticContact CD2-CE2 3.86Å; F657-F720 HydrophobicContact CD2-CE2 3.86Å; F657-F720 HydrophobicContact CD2-CZ 4.18Å; F657-F720 HydrophobicContact CE1-CD2 4.07Å; F657-F720 AromaticContact CE1-CE2 3.56Å; F657-F720 HydrophobicContact CE1-CE2 3.56Å; F657-F720 AromaticContact CE2-CE2 3.76Å; F657-F720 HydrophobicContact CE2-CE2 3.76Å; F657-F720 HydrophobicContact CE2-CZ 4.44Å; F657-F720 AromaticContact CG-CE2 3.82Å; F657-F720 HydrophobicContact CG-CE2 3.82Å; F657-F720 HydrophobicContact CG-CZ 4.12Å; F657-F720 HydrophobicContact CZ-CD2 4.28Å; F657-F720 AromaticContact CZ-CE2 3.62Å; F657-F720 HydrophobicContact CZ-CE2 3.62Å; F657-W732 HydrophobicContact CE1-CB 4.11Å
658	T	95.5	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.2	-43.2	-178.8	-36	0	0	0	0	111.6	Y653 V655 K660 H661 L662 A730 E731 W732 Y740	Y653-T658 HydrophobicContact CD2-CG2 4.39Å; V655-T658 VanDerWaalsContact CG2-OG1 3.28Å; V655-T658 WeakPolarHBondContact CG2-OG1 3.05Å; V655-T658 PolarHBondContact N-OG1 2.93Å; V655-T658 WeakPolarHBondContact O-CB 2.86Å; V655-T658 PolarHBondContact O-N 2.02Å; T658-K660 PolarHBondContact O-N 2.8Å; T658-H661 PolarHBondContact O-N 3.13Å; T658-L662 HydrophobicContact CG2-CD1 3.89Å; T658-L662 HydrophobicContact CG2-CG 4.34Å; T658-L662 WeakPolarHBondContact O-CB 3.25Å; T658-L662 VanDerWaalsContact O-CG 3.31Å; T658-L662 WeakPolarHBondContact O-CG 3.25Å; T658-L662 PolarHBondContact O-N 2.66Å; T658-A730 PolarHBondContact OG1-O 3.06Å; T658-E731 PolarHBondContact OG1-O 3.38Å; T658-W732 HydrophobicContact CG2-CE3 4.15Å; T658-W732 HydrophobicContact CG2-CZ3 4.11Å; T658-Y740 HydrophobicContact CG2-CE1 3.74Å
659	R	97.1	Very high	94.8	Very high	98 Å²	98	52.9 Å²	52.9	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-44.4	-179.8	-67.2	178.4	178.6	-143.4	-7	112	C654 V655 F657 H677 D678	C654-R659 HydrophobicContact CB-CG 3.75Å; V655-R659 WeakPolarHBondContact O-CG 3.3Å; V655-R659 PolarHBondContact O-N 3.43Å; F657-R659 VanDerWaalsContact C-N 3.31Å; F657-R659 PolarHBondContact O-N 2.89Å; R659-H677 HydrophobicContact CG-CB 4.12Å; R659-H677 PolarHBondContact O-CE1 2.65Å; R659-D678 IonicContact CZ-OD2 3.51Å; R659-D678 IonicContact NH2-OD2 3.72Å; R659-D678 PolarHBondContact NH2-OD2 2.96Å
660	K	96.6	Very high	94.9	Very high	138 Å²	138	55.8 Å²	55.8	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-67.7	-47.8	176.8	-175.8	179.9	173.5	-171.8	0	110.7	D656 F657 T658 L662 K663 E664	D656-K660 PolarHBondContact O-N 3.28Å; D656-K660 VanDerWaalsContact O-N 3.15Å; F657-K660 PolarHBondContact O-N 2.99Å; T658-K660 PolarHBondContact O-N 2.8Å; K660-L662 PolarHBondContact O-N 2.91Å; K660-K663 WeakPolarHBondContact O-CB 3.22Å; K660-K663 PolarHBondContact O-N 2.83Å; K660-E664 WeakPolarHBondContact CE-OE1 3.33Å; K660-E664 PolarHBondContact O-N 2.8Å
661	H	96.8	Very high	95.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-37.6	-175.2	-166.3	58.1	0	0	0	112.5	F657 T658 K663 E664 V665 E716 W732	F657-H661 HydrophobicContact CD1-CB 4.31Å; F657-H661 HydrophobicContact CE1-CB 3.89Å; F657-H661 AromaticContact CE1-CG 3.97Å; F657-H661 HydrophobicContact CZ-CB 4.16Å; F657-H661 VanDerWaalsContact O-CB 3.27Å; F657-H661 WeakPolarHBondContact O-CB 3.41Å; F657-H661 PolarHBondContact O-N 3.26Å; T658-H661 PolarHBondContact O-N 3.13Å; H661-K663 VanDerWaalsContact C-N 3.3Å; H661-K663 PolarHBondContact O-N 3.12Å; H661-E664 IonicContact ND1-OE2 3.3Å; H661-E664 WeakPolarHBondContact O-CB 3.43Å; H661-E664 PolarHBondContact O-N 2.92Å; H661-E664 VanDerWaalsContact O-N 3.1Å; H661-V665 WeakPolarHBondContact O-CB 3.43Å; H661-V665 VanDerWaalsContact O-CG2 3.3Å; H661-V665 WeakPolarHBondContact O-CG2 3.36Å; H661-V665 PolarHBondContact O-N 3.03Å; H661-E716 IonicContact CE1-OE1 2.99Å; H661-E716 PolarHBondContact CE1-OE1 3.26Å; H661-E716 IonicContact ND1-OE1 3.82Å; H661-W732 AromaticContact CD2-CD2 3.67Å; H661-W732 AromaticContact CD2-CE2 3.54Å; H661-W732 AromaticContact CD2-CE3 3.75Å; H661-W732 AromaticContact CD2-CH2 3.67Å; H661-W732 AromaticContact CD2-CZ2 3.55Å; H661-W732 AromaticContact CD2-CZ3 3.76Å; H661-W732 AromaticContact NE2-CE2 3.74Å; H661-W732 AromaticContact NE2-CZ2 3.79Å; H661-W732 AromaticContact NE2-NE1 3.98Å
662	L	97.7	Very high	95.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-35.5	174.9	-77.2	170.5	0	0	0	113	Y653 T658 K660 A666 W732 Y740 E743 I744	Y653-L662 HydrophobicContact CE2-CD1 4.17Å; T658-L662 HydrophobicContact CG2-CD1 3.89Å; T658-L662 HydrophobicContact CG2-CG 4.34Å; T658-L662 WeakPolarHBondContact O-CB 3.25Å; T658-L662 VanDerWaalsContact O-CG 3.31Å; T658-L662 WeakPolarHBondContact O-CG 3.25Å; T658-L662 PolarHBondContact O-N 2.66Å; K660-L662 PolarHBondContact O-N 2.91Å; L662-A666 WeakPolarHBondContact O-CB 3.42Å; L662-A666 PolarHBondContact O-N 3.45Å; L662-W732 HydrophobicContact CD2-CH2 3.71Å; L662-W732 HydrophobicContact CD2-CZ3 3.83Å; L662-W732 HydrophobicContact CG-CH2 4.28Å; L662-W732 HydrophobicContact CG-CZ3 3.95Å; L662-Y740 HydrophobicContact CD1-CD1 3.96Å; L662-Y740 HydrophobicContact CD1-CE1 4.42Å; L662-Y740 HydrophobicContact CD2-CD1 3.93Å; L662-Y740 HydrophobicContact CD2-CG 3.83Å; L662-Y740 HydrophobicContact CG-CD1 4.45Å; L662-E743 WeakPolarHBondContact CD1-OE1 3.42Å; L662-I744 HydrophobicContact CD2-CD1 4.31Å; L662-I744 HydrophobicContact CD2-CG1 4.5Å
663	K	97.9	Very high	96.3	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-66.1	-41.6	172.9	-71.3	173.7	175.1	170.2	0	111.7	K660 H661 N667 H673 H677	K660-K663 WeakPolarHBondContact O-CB 3.22Å; K660-K663 PolarHBondContact O-N 2.83Å; H661-K663 VanDerWaalsContact C-N 3.3Å; H661-K663 PolarHBondContact O-N 3.12Å; K663-N667 WeakPolarHBondContact O-CB 3.5Å; K663-N667 PolarHBondContact O-N 3.37Å; K663-H673 HydrophobicContact CG-CB 4.18Å; K663-H677 VanDerWaalsContact CE-NE2 3.29Å; K663-H677 WeakPolarHBondContact CE-NE2 3.33Å
664	E	97.1	Very high	96.5	Very high	76 Å²	76	63.4 Å²	63.4	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-46	178.6	-68.1	168.8	173.4	0	0	111.5	K660 H661 N667 R668	K660-E664 WeakPolarHBondContact CE-OE1 3.33Å; K660-E664 PolarHBondContact O-N 2.8Å; H661-E664 IonicContact ND1-OE2 3.3Å; H661-E664 WeakPolarHBondContact O-CB 3.43Å; H661-E664 PolarHBondContact O-N 2.92Å; H661-E664 VanDerWaalsContact O-N 3.1Å; E664-N667 PolarHBondContact O-N 3Å; E664-R668 VanDerWaalsContact O-CB 3.24Å; E664-R668 WeakPolarHBondContact O-CB 3.35Å; E664-R668 PolarHBondContact O-N 2.85Å
665	V	98	Very high	96.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-48.6	174.4	172.1	0	0	0	0	110.4	H661 N667 R668 L669 L704 E708 W732 I744	H661-V665 WeakPolarHBondContact O-CB 3.43Å; H661-V665 VanDerWaalsContact O-CG2 3.3Å; H661-V665 WeakPolarHBondContact O-CG2 3.36Å; H661-V665 PolarHBondContact O-N 3.03Å; V665-N667 PolarHBondContact O-N 2.87Å; V665-R668 PolarHBondContact O-N 3.18Å; V665-L669 HydrophobicContact CG1-CD1 3.85Å; V665-L669 HydrophobicContact CG1-CG 4.42Å; V665-L669 WeakPolarHBondContact O-CB 3.38Å; V665-L669 WeakPolarHBondContact O-CG 3.39Å; V665-L669 PolarHBondContact O-N 3.49Å; V665-L704 HydrophobicContact CG1-CD2 3.62Å; V665-E708 HydrophobicContact CG1-CG 4.06Å; V665-W732 HydrophobicContact CG2-CH2 4.39Å; V665-W732 HydrophobicContact CG2-CZ2 4.35Å; V665-I744 HydrophobicContact CG1-CD1 4.03Å
666	A	98.3	Very high	96.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.2	-50	177.5	0	0	0	0	0	111.6	L662 R668 L669 G670 Y671 H673 I744	L662-A666 WeakPolarHBondContact O-CB 3.42Å; L662-A666 PolarHBondContact O-N 3.45Å; A666-R668 PolarHBondContact O-N 3.02Å; A666-L669 CarbonylContact O-C 3.53Å; A666-L669 PolarHBondContact O-N 3.31Å; A666-G670 PolarHBondContact O-N 2.8Å; A666-G670 VanDerWaalsContact O-N 3.09Å; A666-Y671 CarbonylContact C-O 3.59Å; A666-Y671 PolarHBondContact O-N 3.35Å; A666-H673 HydrophobicContact CB-CB 3.86Å; A666-I744 HydrophobicContact CB-CD1 4.21Å; A666-I744 HydrophobicContact CB-CG1 4.1Å; A666-I744 HydrophobicContact CB-CG2 3.98Å
667	N	97.4	Very high	96.9	Very high	131 Å²	131	56.9 Å²	56.9	70%	0.701	27%	0.27	S	S	*	.	H	α-helix	trans	-60.3	-45	179.2	-174.5	48.9	0	0	0	112	K663 E664 V665 L669 G670	K663-N667 WeakPolarHBondContact O-CB 3.5Å; K663-N667 PolarHBondContact O-N 3.37Å; E664-N667 PolarHBondContact O-N 3Å; V665-N667 PolarHBondContact O-N 2.87Å; N667-L669 VanDerWaalsContact C-N 3.28Å; N667-L669 PolarHBondContact O-N 2.82Å; N667-G670 PolarHBondContact O-N 2.79Å; N667-G670 VanDerWaalsContact O-N 3.07Å
668	R	96.1	Very high	96.7	Very high	104 Å²	104	54.7 Å²	54.7	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-31.9	177.8	174.3	161.6	36.8	113.8	-3	113	E664 V665 A666 G670 E708 H714	E664-R668 VanDerWaalsContact O-CB 3.24Å; E664-R668 WeakPolarHBondContact O-CB 3.35Å; E664-R668 PolarHBondContact O-N 2.85Å; V665-R668 PolarHBondContact O-N 3.18Å; A666-R668 PolarHBondContact O-N 3.02Å; R668-G670 VanDerWaalsContact C-N 3.34Å; R668-E708 IonicContact CZ-OE2 3.8Å; R668-E708 VanDerWaalsContact CZ-OE2 3.29Å; R668-E708 IonicContact NH1-OE1 3.81Å; R668-E708 IonicContact NH1-OE2 2.71Å; R668-E708 PolarHBondContact NH1-OE2 2.85Å; R668-E708 IonicContact NH2-OE2 2.97Å; R668-E708 PolarHBondContact NH2-OE2 2.77Å; R668-H714 PolarHBondContact NH1-CE1 2.92Å; R668-H714 PolarHBondContact NH1-ND1 2.83Å
669	L	97.2	Very high	96.7	Very high	38 Å²	38	54.7 Å²	54.7	20%	0.199	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.5	175.4	-65.1	-179.9	0	0	0	113.8	V665 A666 N667 Y671 L700 K703 L704	V665-L669 HydrophobicContact CG1-CD1 3.85Å; V665-L669 HydrophobicContact CG1-CG 4.42Å; V665-L669 WeakPolarHBondContact O-CB 3.38Å; V665-L669 WeakPolarHBondContact O-CG 3.39Å; V665-L669 PolarHBondContact O-N 3.49Å; A666-L669 CarbonylContact O-C 3.53Å; A666-L669 PolarHBondContact O-N 3.31Å; N667-L669 VanDerWaalsContact C-N 3.28Å; N667-L669 PolarHBondContact O-N 2.82Å; L669-Y671 HydrophobicContact CB-CD2 3.67Å; L669-Y671 HydrophobicContact CB-CE2 3.93Å; L669-Y671 WeakPolarHBondContact O-CD2 3.31Å; L669-L700 HydrophobicContact CD1-CD1 3.87Å; L669-K703 HydrophobicContact CD2-CD 4.5Å; L669-L704 HydrophobicContact CD1-CD2 3.58Å
670	G	96.7	Very high	96.4	Very high	62 Å²	62	50 Å²	50	64%	0.639	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	15	178.5	0	0	0	0	0	115	A666 N667 R668	A666-G670 PolarHBondContact O-N 2.8Å; A666-G670 VanDerWaalsContact O-N 3.09Å; N667-G670 PolarHBondContact O-N 2.79Å; N667-G670 VanDerWaalsContact O-N 3.07Å; R668-G670 VanDerWaalsContact C-N 3.34Å
671	Y	98.3	Very high	96.2	Very high	59 Å²	59	44.4 Å²	44.4	23%	0.231	22%	0.221	C	C	.	.			trans	-94.7	143.4	176.2	-65.6	-91	0	0	0	111.5	A666 L669 L700 I744 H748 F749	A666-Y671 CarbonylContact C-O 3.59Å; A666-Y671 PolarHBondContact O-N 3.35Å; L669-Y671 HydrophobicContact CB-CD2 3.67Å; L669-Y671 HydrophobicContact CB-CE2 3.93Å; L669-Y671 WeakPolarHBondContact O-CD2 3.31Å; Y671-L700 HydrophobicContact CE2-CD1 3.99Å; Y671-L700 HydrophobicContact CE2-CD2 4.36Å; Y671-I744 HydrophobicContact CD1-CG2 4.04Å; Y671-I744 HydrophobicContact CD2-CG2 4.02Å; Y671-I744 HydrophobicContact CG-CG2 3.59Å; Y671-H748 HydrophobicContact CD1-CB 3.95Å; Y671-H748 AromaticContact CD1-CD2 3.76Å; Y671-H748 AromaticContact CD1-CG 3.76Å; Y671-F749 HydrophobicContact CE1-CE2 4.45Å
672	R	97.2	Very high	96.1	Very high	152 Å²	152	44.4 Å²	44.4	57%	0.574	22%	0.221	S	C	*	.			trans	-77	129	169.8	-176.2	-173.6	-64	166.7	-0.1	109.4	N747 H748	R672-N747 CarbonylContact O-C 3.42Å; R672-H748 PolarHBondContact N-ND1 3.23Å; R672-H748 WeakPolarHBondContact O-CA 3.4Å; R672-H748 PolarHBondContact O-N 3.05Å
673	H	97.7	Very high	96.2	Very high	31 Å²	31	44.4 Å²	44.4	14%	0.144	22%	0.221	C	C	.	.			trans	-115	111.1	172.9	-159.6	-67.9	0	0	0	111.4	K663 A666 G675 I676 H677 E743	K663-H673 HydrophobicContact CG-CB 4.18Å; A666-H673 HydrophobicContact CB-CB 3.86Å; H673-G675 WeakPolarHBondContact ND1-CA 3.44Å; H673-G675 PolarHBondContact ND1-N 2.87Å; H673-G675 PolarHBondContact O-N 2.85Å; H673-I676 PolarHBondContact CE1-O 3.25Å; H673-H677 AromaticContact CE1-CE1 3.28Å; H673-H677 PolarHBondContact CE1-CE1 2.82Å; H673-H677 AromaticContact CE1-ND1 3.62Å; H673-H677 AromaticContact CE1-NE2 3.95Å; H673-H677 AromaticContact NE2-CE1 3.9Å; H673-E743 IonicContact CE1-OE1 3.36Å; H673-E743 IonicContact NE2-OE1 2.81Å; H673-E743 PolarHBondContact NE2-OE1 3.21Å
674	R	95.4	Very high	96.1	Very high	75 Å²	75	39.9 Å²	39.9	28%	0.283	20%	0.202	S	C	.	.			trans	-75.9	-8.6	-177.2	-68.7	170.1	166.2	97.3	-2.6	113.7	N747 H748 L750 D751	R674-N747 WeakPolarHBondContact CA-OD1 3.25Å; R674-N747 WeakPolarHBondContact CB-OD1 3.44Å; R674-N747 WeakPolarHBondContact CD-O 3.35Å; R674-N747 WeakPolarHBondContact CG-O 3.4Å; R674-N747 PolarHBondContact N-OD1 2.77Å; R674-N747 PolarHBondContact NH1-O 3.15Å; R674-H748 PolarHBondContact NH1-O 2.91Å; R674-L750 PolarHBondContact NH1-O 3.08Å; R674-D751 IonicContact CZ-OD1 3.54Å; R674-D751 IonicContact NH2-OD1 3.2Å; R674-D751 PolarHBondContact NH2-OD1 2.92Å
675	G	95.3	Very high	96.1	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	19%	0.185	C	C	.	.	S	Bend	trans	87.5	17.1	177.6	0	0	0	0	0	113.4	H673 H677 N747	H673-G675 WeakPolarHBondContact ND1-CA 3.44Å; H673-G675 PolarHBondContact ND1-N 2.87Å; H673-G675 PolarHBondContact O-N 2.85Å; G675-H677 PolarHBondContact O-CD2 3.08Å; G675-N747 PolarHBondContact N-OD1 3.43Å
676	I	96.5	Very high	96.1	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.169	21%	0.207	C	C	.	.			trans	-87.1	124.4	169.5	-55.1	-55.2	0	0	0	107.4	H673 N747 L753 I758	H673-I676 PolarHBondContact CE1-O 3.25Å; I676-N747 PolarHBondContact N-OD1 3.48Å; I676-N747 PolarHBondContact O-ND2 2.83Å; I676-N747 PolarHBondContact O-OD1 3.22Å; I676-L753 HydrophobicContact CB-CD2 3.78Å; I676-L753 HydrophobicContact CB-CG 4.09Å; I676-L753 HydrophobicContact CG1-CD2 4.09Å; I676-L753 HydrophobicContact CG1-CG 4.05Å; I676-L753 HydrophobicContact CG2-CD1 4.34Å; I676-L753 HydrophobicContact CG2-CD2 4.04Å; I676-L753 HydrophobicContact CG2-CG 4.02Å; I676-I758 HydrophobicContact CG2-CD1 3.66Å; I676-I758 HydrophobicContact CG2-CG1 4.34Å
677	H	95.9	Very high	96	Very high	18 Å²	18	41.6 Å²	41.6	8%	0.083	21%	0.208	C	C	.	.			trans	-124.4	169.3	-172.2	-65.9	-69.3	0	0	0	110.9	R659 K663 H673 G675 E743 I758	R659-H677 HydrophobicContact CG-CB 4.12Å; R659-H677 PolarHBondContact O-CE1 2.65Å; K663-H677 VanDerWaalsContact CE-NE2 3.29Å; K663-H677 WeakPolarHBondContact CE-NE2 3.33Å; H673-H677 AromaticContact CE1-CE1 3.28Å; H673-H677 PolarHBondContact CE1-CE1 2.82Å; H673-H677 AromaticContact CE1-ND1 3.62Å; H673-H677 AromaticContact CE1-NE2 3.95Å; H673-H677 AromaticContact NE2-CE1 3.9Å; G675-H677 PolarHBondContact O-CD2 3.08Å; H677-E743 WeakPolarHBondContact CA-OE2 3.37Å; H677-E743 IonicContact CE1-OE1 3.18Å; H677-E743 IonicContact CG-OE1 3.65Å; H677-E743 IonicContact ND1-OE1 3.65Å; H677-E743 PolarHBondContact ND1-OE1 3.16Å; H677-I758 WeakPolarHBondContact O-CD1 3.11Å
678	D	93	Very high	96	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.064	20%	0.203	C	C	.	.			trans	66.8	38.3	177.4	-72.5	-60.7	0	0	0	114.4	K650 G651 Y653 C654 R659 G680 E743	K650-D678 WeakPolarHBondContact CA-O 3.03Å; K650-D678 HydrophobicContact CG-CB 4.29Å; G651-D678 PolarHBondContact N-O 3.38Å; Y653-D678 PolarHBondContact N-OD1 3.49Å; C654-D678 VanDerWaalsContact CB-CG 3.47Å; C654-D678 WeakPolarHBondContact CB-OD1 3.36Å; C654-D678 WeakPolarHBondContact CB-OD2 3.47Å; C654-D678 PolarHBondContact N-OD1 3.03Å; C654-D678 PolarHBondContact SG-N 3.45Å; C654-D678 VanDerWaalsContact SG-N 3.42Å; C654-D678 PolarHBondContact SG-OD1 2.94Å; R659-D678 IonicContact CZ-OD2 3.51Å; R659-D678 IonicContact NH2-OD2 3.72Å; R659-D678 PolarHBondContact NH2-OD2 2.96Å; D678-G680 PolarHBondContact O-N 2.81Å; D678-E743 PolarHBondContact N-OE2 3.25Å
679	I	95.2	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	126.2	177.5	-77.9	171.4	0	0	0	111.2	T648 Y653 Q742 E743 L746 L753 I758	T648-I679 HydrophobicContact CG2-CG1 4.36Å; T648-I679 HydrophobicContact CG2-CG2 4.25Å; Y653-I679 VanDerWaalsContact CE1-O 3.24Å; Y653-I679 WeakPolarHBondContact CE1-O 3.4Å; Y653-I679 PolarHBondContact OH-N 2.68Å; Y653-I679 VanDerWaalsContact OH-N 3.11Å; Y653-I679 PolarHBondContact OH-O 3.37Å; I679-Q742 HydrophobicContact CG2-CB 4.22Å; I679-E743 HydrophobicContact CB-CB 4.35Å; I679-E743 HydrophobicContact CD1-CB 4.25Å; I679-E743 HydrophobicContact CD1-CG 4.08Å; I679-L746 HydrophobicContact CD1-CB 3.7Å; I679-L746 HydrophobicContact CD1-CD1 3.75Å; I679-L746 HydrophobicContact CD1-CG 4.18Å; I679-L746 HydrophobicContact CG1-CD1 4.32Å; I679-L746 HydrophobicContact CG2-CD1 3.71Å; I679-L753 HydrophobicContact CD1-CD1 4.47Å; I679-L753 HydrophobicContact CD1-CD2 4.25Å; I679-I758 HydrophobicContact CG1-CD1 4.34Å
680	G	91.3	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	162.7	179.5	0	0	0	0	0	114.4	T648 G649 D678 T682 W683 Q742	T648-G680 PolarHBondContact OG1-N 3.47Å; T648-G680 PolarHBondContact OG1-O 3.03Å; T648-G680 VanDerWaalsContact OG1-O 3.12Å; G649-G680 WeakPolarHBondContact O-CA 3.4Å; G649-G680 PolarHBondContact O-N 2.86Å; D678-G680 PolarHBondContact O-N 2.81Å; G680-T682 VanDerWaalsContact C-N 3.32Å; G680-W683 PolarHBondContact O-NE1 2.79Å; G680-Q742 PolarHBondContact O-OE1 3.1Å
681	S	91.1	Very high	96.1	Very high	21 Å²	21	34 Å²	34	15%	0.147	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-31.2	174.7	54.4	0	0	0	0	112.1	D628	D628-S681 PolarHBondContact OD2-OG 3.07Å
682	T	96.1	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.3	-178.7	-62.4	0	0	0	0	111.5	L625 R626 T627 T648 G649 G680 L763 D764 H778	L625-T682 HydrophobicContact CD1-CG2 3.58Å; R626-T682 VanDerWaalsContact O-CA 3.31Å; R626-T682 WeakPolarHBondContact O-CA 3.47Å; R626-T682 WeakPolarHBondContact O-CG2 3.4Å; T627-T682 PolarHBondContact OG1-OG1 2.9Å; T648-T682 VanDerWaalsContact CA-O 3.3Å; T648-T682 WeakPolarHBondContact CA-O 3.41Å; T648-T682 PolarHBondContact OG1-O 3.35Å; G649-T682 PolarHBondContact N-O 3.32Å; G649-T682 VanDerWaalsContact N-O 3.07Å; G680-T682 VanDerWaalsContact C-N 3.32Å; T682-L763 HydrophobicContact CG2-CB 4.35Å; T682-L763 HydrophobicContact CG2-CD1 4.39Å; T682-L763 HydrophobicContact CG2-CD2 4.28Å; T682-D764 WeakPolarHBondContact CB-OD1 3.06Å; T682-D764 WeakPolarHBondContact CB-OD2 2.81Å; T682-D764 PolarHBondContact N-OD2 3.49Å; T682-D764 PolarHBondContact OG1-OD1 3.32Å; T682-H778 PolarHBondContact OG1-CE1 2.97Å; T682-H778 VanDerWaalsContact OG1-CE1 3.25Å
683	W	97.8	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.4	-178.5	-66.1	-0.2	0	0	0	110.2	L625 R626 F646 G680 L690 L693 A697 Q742 L746	L625-W683 CarbonylContact C-O 3.59Å; L625-W683 WeakPolarHBondContact CA-O 3.47Å; R626-W683 HydrophobicContact CB-CB 4.42Å; R626-W683 PolarHBondContact N-O 2.6Å; R626-W683 PolarHBondContact O-N 3.03Å; F646-W683 HydrophobicContact CE1-CG 4.35Å; F646-W683 HydrophobicContact CE2-CB 4.1Å; F646-W683 HydrophobicContact CE2-CD2 4.24Å; F646-W683 HydrophobicContact CE2-CE3 4.1Å; F646-W683 HydrophobicContact CE2-CG 4.3Å; F646-W683 HydrophobicContact CZ-CB 3.71Å; F646-W683 AromaticContact CZ-CD2 3.55Å; F646-W683 HydrophobicContact CZ-CD2 3.55Å; F646-W683 AromaticContact CZ-CE3 3.82Å; F646-W683 HydrophobicContact CZ-CE3 3.82Å; F646-W683 AromaticContact CZ-CG 3.53Å; F646-W683 HydrophobicContact CZ-CG 3.53Å; G680-W683 PolarHBondContact O-NE1 2.79Å; W683-L690 HydrophobicContact CB-CD1 3.81Å; W683-L690 HydrophobicContact CE3-CG 4.3Å; W683-L693 HydrophobicContact CH2-CB 4.17Å; W683-L693 HydrophobicContact CZ3-CB 3.78Å; W683-A697 HydrophobicContact CH2-CB 3.99Å; W683-Q742 HydrophobicContact CH2-CB 4.44Å; W683-Q742 HydrophobicContact CH2-CG 3.98Å; W683-Q742 HydrophobicContact CZ2-CB 3.57Å; W683-Q742 HydrophobicContact CZ2-CG 3.34Å; W683-L746 HydrophobicContact CH2-CD2 4.12Å; W683-L746 HydrophobicContact CH2-CG 4.48Å; W683-L746 HydrophobicContact CZ2-CD1 4.06Å; W683-L746 HydrophobicContact CZ2-CD2 4.03Å; W683-L746 HydrophobicContact CZ2-CG 3.98Å
684	F	97.8	Very high	96.1	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.2	169.3	-177.4	-83.4	0	0	0	109.2	I506 Y623 F624 L625 L637 Y640 P642 F646 I647 L763	I506-F684 HydrophobicContact CD1-CE2 4.13Å; I506-F684 HydrophobicContact CD1-CZ 4.23Å; I506-F684 HydrophobicContact CG2-CE2 4.1Å; Y623-F684 HydrophobicContact CD1-CD1 4.15Å; Y623-F684 AromaticContact CD1-CE1 3.45Å; Y623-F684 HydrophobicContact CD1-CE1 3.45Å; Y623-F684 VanDerWaalsContact CD1-CE1 3.45Å; Y623-F684 AromaticContact CD1-CZ 3.91Å; Y623-F684 HydrophobicContact CD1-CZ 3.91Å; Y623-F684 HydrophobicContact CE1-CE1 4.08Å; Y623-F684 AromaticContact CG-CE1 3.99Å; Y623-F684 HydrophobicContact CG-CE1 3.99Å; Y623-F684 AromaticContact CG-CZ 3.95Å; Y623-F684 HydrophobicContact CG-CZ 3.95Å; F624-F684 WeakPolarHBondContact O-CA 3.35Å; L625-F684 HydrophobicContact CB-CD2 4.03Å; L625-F684 HydrophobicContact CD1-CB 4.06Å; L625-F684 HydrophobicContact CD1-CD2 4.12Å; L637-F684 HydrophobicContact CD1-CE2 4.22Å; Y640-F684 HydrophobicContact CD1-CE1 4.17Å; Y640-F684 HydrophobicContact CD1-CZ 4.06Å; Y640-F684 HydrophobicContact CE1-CD1 4.12Å; Y640-F684 AromaticContact CE1-CE1 3.78Å; Y640-F684 HydrophobicContact CE1-CE1 3.78Å; Y640-F684 HydrophobicContact CE1-CZ 4.14Å; P642-F684 HydrophobicContact CB-CE1 3.86Å; P642-F684 HydrophobicContact CG-CE1 4.01Å; F646-F684 CarbonylContact C-O 3.57Å; F646-F684 WeakPolarHBondContact CA-O 3.42Å; I647-F684 HydrophobicContact CD1-CB 4.38Å; I647-F684 HydrophobicContact CG1-CB 3.88Å; I647-F684 HydrophobicContact CG1-CD1 4.26Å; I647-F684 PolarHBondContact N-O 3.12Å; I647-F684 PolarHBondContact O-N 2.73Å; F684-L763 HydrophobicContact CB-CD1 3.86Å
685	G	96.8	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	173.2	-178.9	0	0	0	0	0	113.8	Y623 F624 S645 A687	Y623-G685 VanDerWaalsContact CA-O 3.3Å; Y623-G685 WeakPolarHBondContact CA-O 3.49Å; Y623-G685 WeakPolarHBondContact CD1-O 3.48Å; F624-G685 PolarHBondContact N-O 2.83Å; F624-G685 PolarHBondContact O-N 3.3Å; F624-G685 VanDerWaalsContact O-N 3.08Å; S645-G685 CarbonylContact O-C 3.59Å; S645-G685 WeakPolarHBondContact O-CA 3.31Å; G685-A687 PolarHBondContact O-N 3.41Å
686	K	96.7	Very high	96.3	Very high	110 Å²	110	28 Å²	28	48%	0.478	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	134.7	176.5	-72.7	-171.8	175.6	-175.4	0	109.9	D622 Y623 S645 E688 L689 L690	D622-K686 WeakPolarHBondContact O-CA 3.29Å; Y623-K686 HydrophobicContact CD1-CG 4.49Å; Y623-K686 HydrophobicContact CE1-CG 3.83Å; S645-K686 PolarHBondContact O-N 3.35Å; K686-E688 VanDerWaalsContact C-N 3.35Å; K686-E688 PolarHBondContact O-N 2.99Å; K686-L689 HydrophobicContact CB-CB 4.21Å; K686-L689 PolarHBondContact O-N 3.08Å; K686-L689 VanDerWaalsContact O-N 3.11Å; K686-L690 PolarHBondContact O-N 3.49Å
687	A	97.4	Very high	96.4	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-46.7	-167.9	0	0	0	0	0	113.2	T618 Y621 D622 F624 G685 A691	T618-A687 HydrophobicContact CG2-CB 4.49Å; Y621-A687 WeakPolarHBondContact O-CB 3.21Å; D622-A687 PolarHBondContact O-N 3.42Å; D622-A687 VanDerWaalsContact O-N 3.14Å; F624-A687 HydrophobicContact CD2-CB 3.62Å; F624-A687 HydrophobicContact CE2-CB 3.62Å; F624-A687 HydrophobicContact CG-CB 4.14Å; F624-A687 HydrophobicContact CZ-CB 4.13Å; G685-A687 PolarHBondContact O-N 3.41Å; A687-A691 WeakPolarHBondContact O-CB 3.29Å; A687-A691 PolarHBondContact O-N 2.8Å
688	E	96.5	Very high	96.5	Very high	125 Å²	125	25.9 Å²	25.9	58%	0.584	13%	0.126	S	C	*	.	H	α-helix	trans	-65	-43.4	178.3	-173.9	176.5	-169.7	0	0	113	K686 A691 N692	K686-E688 VanDerWaalsContact C-N 3.35Å; K686-E688 PolarHBondContact O-N 2.99Å; E688-A691 PolarHBondContact O-N 2.71Å; E688-N692 PolarHBondContact O-N 3.28Å; E688-N692 PolarHBondContact O-ND2 2.87Å
689	L	97.1	Very high	96.7	Very high	51 Å²	51	29.5 Å²	29.5	27%	0.267	15%	0.148	S	C	.	.	H	α-helix	trans	-62.1	-48.3	177.8	177.7	59.6	0	0	0	110.8	F646 K686 A691 N692 L693 L750	F646-L689 HydrophobicContact CB-CD2 4.05Å; F646-L689 HydrophobicContact CD2-CD2 4.4Å; K686-L689 HydrophobicContact CB-CB 4.21Å; K686-L689 PolarHBondContact O-N 3.08Å; K686-L689 VanDerWaalsContact O-N 3.11Å; L689-A691 VanDerWaalsContact C-N 3.33Å; L689-A691 PolarHBondContact O-N 2.98Å; L689-N692 PolarHBondContact O-N 3.29Å; L689-L693 HydrophobicContact CD1-CD1 3.82Å; L689-L693 HydrophobicContact CD1-CG 4.11Å; L689-L693 HydrophobicContact CG-CD1 3.85Å; L689-L693 VanDerWaalsContact O-CG 3.29Å; L689-L693 WeakPolarHBondContact O-CG 3.23Å; L689-L693 PolarHBondContact O-N 3.21Å; L689-L750 HydrophobicContact CD2-CD1 4.22Å
690	L	97.6	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-41	178.9	-173.3	148.9	0	0	0	111.5	I509 F624 R626 F646 W683 K686 S694	I509-L690 HydrophobicContact CD1-CD2 4.32Å; F624-L690 HydrophobicContact CB-CD1 3.94Å; F624-L690 HydrophobicContact CB-CD2 4.06Å; F624-L690 HydrophobicContact CB-CG 4.41Å; F624-L690 HydrophobicContact CD2-CD2 4.32Å; R626-L690 HydrophobicContact CB-CD1 4.23Å; R626-L690 HydrophobicContact CB-CD2 4.21Å; F646-L690 HydrophobicContact CE2-CB 4.49Å; F646-L690 HydrophobicContact CE2-CD1 4.48Å; F646-L690 HydrophobicContact CE2-CG 4.49Å; W683-L690 HydrophobicContact CB-CD1 3.81Å; W683-L690 HydrophobicContact CE3-CG 4.3Å; K686-L690 PolarHBondContact O-N 3.49Å; L690-S694 VanDerWaalsContact O-CB 3.26Å; L690-S694 WeakPolarHBondContact O-CB 3.29Å; L690-S694 PolarHBondContact O-N 3.16Å; L690-S694 PolarHBondContact O-OG 2.95Å
691	A	97.3	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-42.4	177.8	0	0	0	0	0	112.2	F614 T618 A687 E688 L689 T695	F614-A691 HydrophobicContact CE1-CB 3.69Å; F614-A691 HydrophobicContact CZ-CB 4Å; T618-A691 HydrophobicContact CG2-CB 3.78Å; A687-A691 WeakPolarHBondContact O-CB 3.29Å; A687-A691 PolarHBondContact O-N 2.8Å; E688-A691 PolarHBondContact O-N 2.71Å; L689-A691 VanDerWaalsContact C-N 3.33Å; L689-A691 PolarHBondContact O-N 2.98Å; A691-T695 PolarHBondContact O-N 3.4Å; A691-T695 PolarHBondContact O-OG1 3.38Å
692	N	97.4	Very high	97.5	Very high	62 Å²	62	30.9 Å²	30.9	33%	0.332	15%	0.153	S	C	.	.	H	α-helix	trans	-66.7	-49.5	177.8	-71	-17.9	0	0	0	111.7	R615 E688 L689 S694 T695 Y696	R615-N692 PolarHBondContact NH1-OD1 2.82Å; E688-N692 PolarHBondContact O-N 3.28Å; E688-N692 PolarHBondContact O-ND2 2.87Å; L689-N692 PolarHBondContact O-N 3.29Å; N692-S694 VanDerWaalsContact C-N 3.28Å; N692-S694 PolarHBondContact O-N 3.14Å; N692-T695 WeakPolarHBondContact O-CB 3.49Å; N692-T695 PolarHBondContact O-N 3.38Å; N692-T695 VanDerWaalsContact O-N 3.08Å; N692-Y696 WeakPolarHBondContact O-CD2 3.18Å; N692-Y696 PolarHBondContact O-N 2.94Å
693	L	98.1	Very high	97.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-39.9	177.4	-67	169.6	0	0	0	111.8	F646 W683 L689 T695 Y696 A697 V745 L746 F749	F646-L693 HydrophobicContact CD2-CD1 3.95Å; F646-L693 HydrophobicContact CE2-CD1 3.74Å; F646-L693 HydrophobicContact CZ-CD1 4.24Å; W683-L693 HydrophobicContact CH2-CB 4.17Å; W683-L693 HydrophobicContact CZ3-CB 3.78Å; L689-L693 HydrophobicContact CD1-CD1 3.82Å; L689-L693 HydrophobicContact CD1-CG 4.11Å; L689-L693 HydrophobicContact CG-CD1 3.85Å; L689-L693 VanDerWaalsContact O-CG 3.29Å; L689-L693 WeakPolarHBondContact O-CG 3.23Å; L689-L693 PolarHBondContact O-N 3.21Å; L693-T695 VanDerWaalsContact C-N 3.26Å; L693-T695 PolarHBondContact O-N 3.35Å; L693-Y696 PolarHBondContact O-N 2.91Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å; L693-A697 PolarHBondContact O-N 3.08Å; L693-V745 HydrophobicContact CB-CG1 4.43Å; L693-V745 HydrophobicContact CD2-CG1 4.03Å; L693-L746 HydrophobicContact CB-CD2 4.43Å; L693-L746 HydrophobicContact CD1-CD2 3.66Å; L693-L746 HydrophobicContact CD2-CD2 4.13Å; L693-L746 HydrophobicContact CG-CD2 4.29Å; L693-F749 HydrophobicContact CD2-CB 3.64Å; L693-F749 HydrophobicContact CD2-CG 4.41Å
694	S	97.9	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-34.3	177.8	-62.1	0	0	0	0	112.3	L690 N692 A697 A698	L690-S694 VanDerWaalsContact O-CB 3.26Å; L690-S694 WeakPolarHBondContact O-CB 3.29Å; L690-S694 PolarHBondContact O-N 3.16Å; L690-S694 PolarHBondContact O-OG 2.95Å; N692-S694 VanDerWaalsContact C-N 3.28Å; N692-S694 PolarHBondContact O-N 3.14Å; S694-A697 PolarHBondContact O-N 2.8Å; S694-A698 WeakPolarHBondContact O-CB 3.29Å; S694-A698 PolarHBondContact O-N 2.84Å
695	T	97.4	Very high	97.5	Very high	43 Å²	43	37 Å²	37	26%	0.264	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-49.3	177.2	-54.8	0	0	0	0	111.1	R615 A691 N692 L693 A697 A698 T699	R615-T695 PolarHBondContact NH2-OG1 2.58Å; A691-T695 PolarHBondContact O-N 3.4Å; A691-T695 PolarHBondContact O-OG1 3.38Å; N692-T695 WeakPolarHBondContact O-CB 3.49Å; N692-T695 PolarHBondContact O-N 3.38Å; N692-T695 VanDerWaalsContact O-N 3.08Å; L693-T695 VanDerWaalsContact C-N 3.26Å; L693-T695 PolarHBondContact O-N 3.35Å; T695-A697 VanDerWaalsContact C-N 3.34Å; T695-A697 PolarHBondContact O-N 3.06Å; T695-A698 PolarHBondContact O-N 2.94Å; T695-T699 PolarHBondContact O-N 3.01Å; T695-T699 PolarHBondContact O-OG1 2.96Å
696	Y	98.1	Very high	97.4	Very high	108 Å²	108	41.2 Å²	41.2	42%	0.424	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-39.9	176.8	-63.7	-67.2	0	0	0	111.9	N692 L693 T699 L700 F749	N692-Y696 WeakPolarHBondContact O-CD2 3.18Å; N692-Y696 PolarHBondContact O-N 2.94Å; L693-Y696 PolarHBondContact O-N 2.91Å; Y696-T699 PolarHBondContact O-N 3.02Å; Y696-L700 WeakPolarHBondContact O-CB 3.37Å; Y696-L700 PolarHBondContact O-N 2.89Å; Y696-F749 AromaticContact CD1-CE2 3.88Å; Y696-F749 HydrophobicContact CD1-CE2 3.88Å; Y696-F749 AromaticContact CD1-CZ 3.75Å; Y696-F749 HydrophobicContact CD1-CZ 3.75Å; Y696-F749 HydrophobicContact CD2-CD2 4.13Å; Y696-F749 HydrophobicContact CD2-CE1 4.48Å; Y696-F749 AromaticContact CD2-CE2 3.74Å; Y696-F749 HydrophobicContact CD2-CE2 3.74Å; Y696-F749 AromaticContact CD2-CZ 3.93Å; Y696-F749 HydrophobicContact CD2-CZ 3.93Å; Y696-F749 HydrophobicContact CE1-CE1 4.49Å; Y696-F749 HydrophobicContact CE1-CE2 4.39Å; Y696-F749 AromaticContact CE1-CZ 3.82Å; Y696-F749 HydrophobicContact CE1-CZ 3.82Å; Y696-F749 HydrophobicContact CE2-CE1 4.21Å; Y696-F749 HydrophobicContact CE2-CE2 4.27Å; Y696-F749 HydrophobicContact CE2-CZ 4Å; Y696-F749 HydrophobicContact CG-CD2 4.28Å; Y696-F749 AromaticContact CG-CE2 3.53Å; Y696-F749 HydrophobicContact CG-CE2 3.53Å; Y696-F749 AromaticContact CG-CZ 3.81Å; Y696-F749 HydrophobicContact CG-CZ 3.81Å; Y696-F749 AromaticContact CZ-CZ 3.95Å
697	A	98.3	Very high	97.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-41.3	178.9	0	0	0	0	0	112	Y606 W683 L693 S694 T695 L700 T701 Q742 V745	Y606-A697 HydrophobicContact CE1-CB 4.01Å; Y606-A697 WeakPolarHBondContact OH-CB 3.31Å; W683-A697 HydrophobicContact CH2-CB 3.99Å; L693-A697 WeakPolarHBondContact O-CB 3.38Å; L693-A697 PolarHBondContact O-N 3.08Å; S694-A697 PolarHBondContact O-N 2.8Å; T695-A697 VanDerWaalsContact C-N 3.34Å; T695-A697 PolarHBondContact O-N 3.06Å; A697-L700 PolarHBondContact O-N 2.87Å; A697-T701 VanDerWaalsContact O-CB 3.27Å; A697-T701 WeakPolarHBondContact O-CB 3.31Å; A697-T701 PolarHBondContact O-N 2.98Å; A697-T701 PolarHBondContact O-OG1 3.36Å; A697-Q742 HydrophobicContact CB-CG 4.23Å; A697-V745 HydrophobicContact CB-CB 4.49Å; A697-V745 HydrophobicContact CB-CG1 4.42Å; A697-V745 HydrophobicContact CB-CG2 4.35Å
698	A	97.7	Very high	97.2	Very high	6 Å²	6	38.9 Å²	38.9	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-49.6	175.8	0	0	0	0	0	111.7	I603 Y606 L609 S694 T695 L700 T701 M702	I603-A698 WeakPolarHBondContact CD1-O 3.46Å; Y606-A698 HydrophobicContact CD1-CB 4.13Å; Y606-A698 HydrophobicContact CD2-CB 3.97Å; Y606-A698 HydrophobicContact CG-CB 3.69Å; L609-A698 HydrophobicContact CD1-CB 3.93Å; S694-A698 WeakPolarHBondContact O-CB 3.29Å; S694-A698 PolarHBondContact O-N 2.84Å; T695-A698 PolarHBondContact O-N 2.94Å; A698-L700 PolarHBondContact O-N 3.18Å; A698-T701 WeakPolarHBondContact O-CB 3.38Å; A698-T701 PolarHBondContact O-N 2.91Å; A698-M702 PolarHBondContact O-N 2.84Å
699	T	97.4	Very high	97.1	Very high	87 Å²	87	33.7 Å²	33.7	53%	0.534	17%	0.172	S	C	.	.	H	α-helix	trans	-61.6	-45.6	178.6	-56.3	0	0	0	0	111.9	T695 Y696 M702 K703	T695-T699 PolarHBondContact O-N 3.01Å; T695-T699 PolarHBondContact O-OG1 2.96Å; Y696-T699 PolarHBondContact O-N 3.02Å; T699-M702 PolarHBondContact O-N 3.22Å; T699-K703 PolarHBondContact O-N 2.91Å
700	L	98.4	Very high	96.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-36.2	179.9	-176.7	59	0	0	0	111.8	L669 Y671 Y696 A697 A698 M702 K703 L704 A741 I744 V745	L669-L700 HydrophobicContact CD1-CD1 3.87Å; Y671-L700 HydrophobicContact CE2-CD1 3.99Å; Y671-L700 HydrophobicContact CE2-CD2 4.36Å; Y696-L700 WeakPolarHBondContact O-CB 3.37Å; Y696-L700 PolarHBondContact O-N 2.89Å; A697-L700 PolarHBondContact O-N 2.87Å; A698-L700 PolarHBondContact O-N 3.18Å; L700-M702 VanDerWaalsContact C-N 3.34Å; L700-M702 PolarHBondContact O-N 2.97Å; L700-K703 PolarHBondContact O-N 2.77Å; L700-L704 HydrophobicContact CD1-CD2 4.1Å; L700-L704 HydrophobicContact CD1-CG 4.01Å; L700-L704 HydrophobicContact CG-CD1 4.17Å; L700-L704 HydrophobicContact CG-CG 4.04Å; L700-L704 WeakPolarHBondContact O-CG 3.46Å; L700-L704 PolarHBondContact O-N 2.57Å; L700-A741 HydrophobicContact CB-CB 3.99Å; L700-A741 HydrophobicContact CD2-CB 4.23Å; L700-A741 HydrophobicContact CG-CB 3.91Å; L700-I744 HydrophobicContact CD2-CB 3.7Å; L700-I744 HydrophobicContact CD2-CD1 4.37Å; L700-I744 HydrophobicContact CD2-CG2 3.62Å; L700-V745 HydrophobicContact CB-CG2 4.38Å; L700-V745 HydrophobicContact CD2-CG2 3.92Å
701	T	98.4	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.1	-48.7	177	-63.7	0	0	0	0	111.7	Y600 I603 A697 A698 L704 F705 S738 A741	Y600-T701 HydrophobicContact CD1-CG2 3.7Å; Y600-T701 HydrophobicContact CE1-CG2 3.41Å; Y600-T701 VanDerWaalsContact CE1-CG2 3.41Å; I603-T701 HydrophobicContact CD1-CG2 3.61Å; A697-T701 VanDerWaalsContact O-CB 3.27Å; A697-T701 WeakPolarHBondContact O-CB 3.31Å; A697-T701 PolarHBondContact O-N 2.98Å; A697-T701 PolarHBondContact O-OG1 3.36Å; A698-T701 WeakPolarHBondContact O-CB 3.38Å; A698-T701 PolarHBondContact O-N 2.91Å; T701-L704 PolarHBondContact O-N 3.08Å; T701-F705 WeakPolarHBondContact O-CB 3.2Å; T701-F705 PolarHBondContact O-N 3.26Å; T701-S738 WeakPolarHBondContact OG1-CA 3.38Å; T701-A741 VanDerWaalsContact OG1-CB 3.25Å; T701-A741 WeakPolarHBondContact OG1-CB 3.49Å
702	M	97.7	Very high	96.5	Very high	48 Å²	48	45.7 Å²	45.7	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-47.4	178.6	-68.1	-178.2	-69.4	0	0	110.9	I596 H598 I603 A698 T699 L700 L704 F705 D706	I596-M702 HydrophobicContact CG2-SD 3.87Å; H598-M702 WeakPolarHBondContact NE2-CB 3.48Å; I603-M702 HydrophobicContact CD1-CG 3.65Å; I603-M702 HydrophobicContact CD1-SD 4.45Å; I603-M702 HydrophobicContact CG1-CG 3.81Å; I603-M702 HydrophobicContact CG1-SD 4.2Å; A698-M702 PolarHBondContact O-N 2.84Å; T699-M702 PolarHBondContact O-N 3.22Å; L700-M702 VanDerWaalsContact C-N 3.34Å; L700-M702 PolarHBondContact O-N 2.97Å; M702-L704 PolarHBondContact O-N 3.17Å; M702-F705 PolarHBondContact O-N 3.18Å; M702-D706 PolarHBondContact O-N 3.19Å; M702-D706 VanDerWaalsContact O-N 3.09Å
703	K	97.1	Very high	96.3	Very high	111 Å²	111	45.5 Å²	45.5	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-47.7	178.4	-174.5	163.5	-176.3	176.1	0	112.4	L669 T699 L700 F705 D706 T707	L669-K703 HydrophobicContact CD2-CD 4.5Å; T699-K703 PolarHBondContact O-N 2.91Å; L700-K703 PolarHBondContact O-N 2.77Å; K703-F705 VanDerWaalsContact C-N 3.34Å; K703-F705 PolarHBondContact O-N 3.37Å; K703-D706 PolarHBondContact O-N 2.93Å; K703-T707 PolarHBondContact O-N 3.07Å; K703-T707 PolarHBondContact O-OG1 3.3Å
704	L	97.3	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-45.9	178.3	-66.7	-176	0	0	0	111.5	V665 L669 L700 T701 M702 D706 T707 E708 F709 A741 I744	V665-L704 HydrophobicContact CG1-CD2 3.62Å; L669-L704 HydrophobicContact CD1-CD2 3.58Å; L700-L704 HydrophobicContact CD1-CD2 4.1Å; L700-L704 HydrophobicContact CD1-CG 4.01Å; L700-L704 HydrophobicContact CG-CD1 4.17Å; L700-L704 HydrophobicContact CG-CG 4.04Å; L700-L704 WeakPolarHBondContact O-CG 3.46Å; L700-L704 PolarHBondContact O-N 2.57Å; T701-L704 PolarHBondContact O-N 3.08Å; M702-L704 PolarHBondContact O-N 3.17Å; L704-D706 VanDerWaalsContact C-N 3.25Å; L704-D706 PolarHBondContact O-N 2.89Å; L704-T707 PolarHBondContact O-N 3.27Å; L704-E708 HydrophobicContact CB-CG 4.42Å; L704-E708 HydrophobicContact CD2-CB 4.44Å; L704-E708 HydrophobicContact CD2-CG 3.56Å; L704-E708 WeakPolarHBondContact O-CB 3.42Å; L704-E708 PolarHBondContact O-N 3.06Å; L704-F709 VanDerWaalsContact O-CD2 3.26Å; L704-F709 WeakPolarHBondContact O-CD2 3.47Å; L704-F709 WeakPolarHBondContact O-CE2 3.3Å; L704-A741 HydrophobicContact CD1-CB 3.85Å; L704-I744 HydrophobicContact CD1-CD1 4.25Å; L704-I744 HydrophobicContact CD2-CD1 4.44Å
705	F	96.6	Very high	95.9	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-33.8	-179	-175.7	-89.2	0	0	0	113.3	H598 T599 Y600 T701 M702 K703 R734	H598-F705 AromaticContact CE1-CD1 3.87Å; T599-F705 WeakPolarHBondContact OG1-CE1 3.36Å; Y600-F705 HydrophobicContact CD1-CD2 4.35Å; Y600-F705 AromaticContact CD2-CD2 3.34Å; Y600-F705 HydrophobicContact CD2-CD2 3.34Å; Y600-F705 AromaticContact CD2-CE2 3.24Å; Y600-F705 HydrophobicContact CD2-CE2 3.24Å; Y600-F705 HydrophobicContact CD2-CG 4.2Å; Y600-F705 HydrophobicContact CD2-CZ 4.03Å; Y600-F705 AromaticContact CE2-CD2 3.98Å; Y600-F705 HydrophobicContact CE2-CD2 3.98Å; Y600-F705 HydrophobicContact CE2-CE2 4.03Å; Y600-F705 HydrophobicContact CG-CB 4.47Å; Y600-F705 HydrophobicContact CG-CD1 4.49Å; Y600-F705 AromaticContact CG-CD2 3.53Å; Y600-F705 HydrophobicContact CG-CD2 3.53Å; Y600-F705 AromaticContact CG-CE2 3.77Å; Y600-F705 HydrophobicContact CG-CE2 3.77Å; Y600-F705 AromaticContact CG-CG 3.92Å; Y600-F705 HydrophobicContact CG-CG 3.92Å; Y600-F705 HydrophobicContact CG-CZ 4.34Å; T701-F705 WeakPolarHBondContact O-CB 3.2Å; T701-F705 PolarHBondContact O-N 3.26Å; M702-F705 PolarHBondContact O-N 3.18Å; K703-F705 VanDerWaalsContact C-N 3.34Å; K703-F705 PolarHBondContact O-N 3.37Å; F705-R734 HydrophobicContact CD2-CG 3.73Å; F705-R734 HydrophobicContact CE2-CG 3.59Å; F705-R734 HydrophobicContact CZ-CG 4.34Å; F705-R734 PolarHBondContact O-NE 3.18Å; F705-R734 PolarHBondContact O-NH2 2.72Å; F705-R734 VanDerWaalsContact O-NH2 3.1Å
706	D	95	Very high	95.8	Very high	89 Å²	89	52.5 Å²	52.5	48%	0.476	28%	0.275	S	S	.	.	H	α-helix	trans	-84.1	-37.2	-177.8	-72.6	-13.1	0	0	0	113	H598 M702 K703 L704	H598-D706 IonicContact CE1-OD1 2.63Å; H598-D706 PolarHBondContact CE1-OD1 3.35Å; H598-D706 IonicContact CE1-OD2 3.29Å; H598-D706 IonicContact NE2-OD1 3.79Å; H598-D706 IonicContact NE2-OD2 3.81Å; H598-D706 PolarHBondContact NE2-OD2 3.25Å; M702-D706 PolarHBondContact O-N 3.19Å; M702-D706 VanDerWaalsContact O-N 3.09Å; K703-D706 PolarHBondContact O-N 2.93Å; L704-D706 VanDerWaalsContact C-N 3.25Å; L704-D706 PolarHBondContact O-N 2.89Å
707	T	94.7	Very high	95.6	Very high	58 Å²	58	47.3 Å²	47.3	36%	0.356	26%	0.255	S	S	.	.	H	α-helix	trans	-111.2	-24.9	-169.3	67.7	0	0	0	0	115.3	K703 L704 H714	K703-T707 PolarHBondContact O-N 3.07Å; K703-T707 PolarHBondContact O-OG1 3.3Å; L704-T707 PolarHBondContact O-N 3.27Å; T707-H714 PolarHBondContact O-CD2 3.29Å; T707-H714 PolarHBondContact O-NE2 3.16Å
708	E	95.1	Very high	95.4	Very high	6 Å²	6	49 Å²	49	3%	0.028	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	13.4	-167.8	-56.2	-53.9	126.1	0	0	114.4	V665 R668 L704 H714 W732	V665-E708 HydrophobicContact CG1-CG 4.06Å; R668-E708 IonicContact CZ-OE2 3.8Å; R668-E708 VanDerWaalsContact CZ-OE2 3.29Å; R668-E708 IonicContact NH1-OE1 3.81Å; R668-E708 IonicContact NH1-OE2 2.71Å; R668-E708 PolarHBondContact NH1-OE2 2.85Å; R668-E708 IonicContact NH2-OE2 2.97Å; R668-E708 PolarHBondContact NH2-OE2 2.77Å; L704-E708 HydrophobicContact CB-CG 4.42Å; L704-E708 HydrophobicContact CD2-CB 4.44Å; L704-E708 HydrophobicContact CD2-CG 3.56Å; L704-E708 WeakPolarHBondContact O-CB 3.42Å; L704-E708 PolarHBondContact O-N 3.06Å; E708-H714 IonicContact OE2-CE1 3.85Å; E708-H714 IonicContact OE2-NE2 3.7Å; E708-W732 HydrophobicContact CB-CZ2 4.36Å; E708-W732 PolarHBondContact O-NE1 3.17Å
709	F	94.8	Very high	95.2	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.066	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	13.4	-179.3	-61.9	-86.2	0	0	0	113.7	L704 P711 M721 W732 R734 S737 Y740	L704-F709 VanDerWaalsContact O-CD2 3.26Å; L704-F709 WeakPolarHBondContact O-CD2 3.47Å; L704-F709 WeakPolarHBondContact O-CE2 3.3Å; F709-P711 WeakPolarHBondContact O-CD 3.47Å; F709-M721 HydrophobicContact CB-CE 4.2Å; F709-M721 HydrophobicContact CD1-CE 3.56Å; F709-M721 HydrophobicContact CE1-CE 4.48Å; F709-M721 HydrophobicContact CG-CE 4.37Å; F709-W732 AromaticContact CD1-CD1 3.54Å; F709-W732 HydrophobicContact CD1-CG 4.46Å; F709-W732 AromaticContact CD1-NE1 3.43Å; F709-W732 AromaticContact CE1-CD1 3.43Å; F709-W732 VanDerWaalsContact CE1-CD1 3.43Å; F709-W732 HydrophobicContact CE1-CD2 4.12Å; F709-W732 AromaticContact CE1-CE2 3.66Å; F709-W732 AromaticContact CE1-CG 3.99Å; F709-W732 HydrophobicContact CE1-CG 3.99Å; F709-W732 HydrophobicContact CE1-CZ2 4.34Å; F709-W732 AromaticContact CE1-NE1 3.22Å; F709-W732 AromaticContact CZ-CE2 3.92Å; F709-W732 HydrophobicContact CZ-CZ2 4.13Å; F709-W732 AromaticContact CZ-NE1 3.82Å; F709-R734 HydrophobicContact CB-CG 4.21Å; F709-R734 HydrophobicContact CD1-CB 3.59Å; F709-R734 HydrophobicContact CD1-CG 3.95Å; F709-R734 HydrophobicContact CD2-CB 4.27Å; F709-R734 HydrophobicContact CD2-CG 3.74Å; F709-R734 HydrophobicContact CE1-CB 3.78Å; F709-R734 HydrophobicContact CE1-CG 4.29Å; F709-R734 HydrophobicContact CE2-CB 4.42Å; F709-R734 HydrophobicContact CE2-CG 4.09Å; F709-R734 HydrophobicContact CG-CB 3.87Å; F709-R734 HydrophobicContact CG-CG 3.68Å; F709-R734 HydrophobicContact CZ-CB 4.2Å; F709-R734 HydrophobicContact CZ-CG 4.36Å; F709-S737 WeakPolarHBondContact CE2-OG 3.28Å; F709-Y740 HydrophobicContact CE1-CE2 4.32Å; F709-Y740 HydrophobicContact CZ-CD2 4.05Å; F709-Y740 AromaticContact CZ-CE2 3.92Å; F709-Y740 HydrophobicContact CZ-CE2 3.92Å
710	D	92.7	Very high	95	Very high	72 Å²	72	48.4 Å²	48.4	39%	0.385	27%	0.267	S	S	.	.			trans	-89.5	111.4	171.7	-179.3	4.5	0	0	0	110.7	K712 A713 H714	D710-K712 PolarHBondContact O-N 3.09Å; D710-K712 WeakPolarHBondContact OD1-CB 3.19Å; D710-K712 PolarHBondContact OD1-N 3.29Å; D710-A713 HydrophobicContact CB-CB 4.13Å; D710-A713 PolarHBondContact O-N 3.12Å; D710-A713 VanDerWaalsContact O-N 3.12Å; D710-H714 PolarHBondContact O-N 2.88Å
711	P	93.7	Very high	94.7	Very high	48 Å²	48	49.4 Å²	49.4	31%	0.312	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12	-179.7	30.6	-37.2	0	0	0	113.8	F709 H714 P715 A718 M721	F709-P711 WeakPolarHBondContact O-CD 3.47Å; P711-H714 CarbonylContact O-C 3.55Å; P711-P715 WeakPolarHBondContact O-CA 3.39Å; P711-A718 HydrophobicContact CB-CB 3.87Å; P711-M721 HydrophobicContact CB-CB 4.3Å; P711-M721 HydrophobicContact CB-CG 4.41Å; P711-M721 HydrophobicContact CG-CB 4.2Å; P711-M721 HydrophobicContact CG-CG 4.49Å
712	K	92.9	Very high	94.3	Very high	184 Å²	184	59.2 Å²	59.2	80%	0.8	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-39.4	171.1	-63.9	-179.1	-179.7	177.9	0	111.4	D710	D710-K712 PolarHBondContact O-N 3.09Å; D710-K712 WeakPolarHBondContact OD1-CB 3.19Å; D710-K712 PolarHBondContact OD1-N 3.29Å
713	A	93	Very high	93.7	Very high	58 Å²	58	62.2 Å²	62.2	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-34.1	176.7	0	0	0	0	0	111.7	D710	D710-A713 HydrophobicContact CB-CB 4.13Å; D710-A713 PolarHBondContact O-N 3.12Å; D710-A713 VanDerWaalsContact O-N 3.12Å
714	H	94.4	Very high	93.4	Very high	19 Å²	19	58.4 Å²	58.4	9%	0.088	32%	0.321	C	S	.	.			trans	-126.5	80.8	-177.5	-46.8	-50.8	0	0	0	110.1	R668 T707 E708 D710 P711 E716 I717	R668-H714 PolarHBondContact NH1-CE1 2.92Å; R668-H714 PolarHBondContact NH1-ND1 2.83Å; T707-H714 PolarHBondContact O-CD2 3.29Å; T707-H714 PolarHBondContact O-NE2 3.16Å; E708-H714 IonicContact OE2-CE1 3.85Å; E708-H714 IonicContact OE2-NE2 3.7Å; D710-H714 PolarHBondContact O-N 2.88Å; P711-H714 CarbonylContact O-C 3.55Å; H714-E716 WeakPolarHBondContact CA-OE2 3.43Å; H714-E716 PolarHBondContact O-N 3.23Å; H714-E716 VanDerWaalsContact O-N 3.09Å; H714-I717 HydrophobicContact CB-CD1 4.28Å; H714-I717 HydrophobicContact CB-CG1 3.96Å; H714-I717 WeakPolarHBondContact O-CG1 3.28Å; H714-I717 PolarHBondContact O-N 3.11Å
715	P	94.4	Very high	92.9	Very high	92 Å²	92	63.6 Å²	63.6	60%	0.597	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-57.4	-25.4	-175.5	-26.4	36	0	0	0	114.8	P711 I717 A718	P711-P715 WeakPolarHBondContact O-CA 3.39Å; P715-I717 VanDerWaalsContact C-N 3.26Å; P715-I717 PolarHBondContact O-N 3.43Å; P715-A718 WeakPolarHBondContact O-CB 3.37Å; P715-A718 PolarHBondContact O-N 2.92Å; P715-A718 VanDerWaalsContact O-N 3.13Å
716	E	94.3	Very high	92.7	Very high	81 Å²	81	66.7 Å²	66.7	38%	0.379	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-64.3	-25.4	179.6	66.1	-83.2	-163.4	0	0	113.8	F657 H661 H714	F657-E716 HydrophobicContact CZ-CG 4.41Å; H661-E716 IonicContact CE1-OE1 2.99Å; H661-E716 PolarHBondContact CE1-OE1 3.26Å; H661-E716 IonicContact ND1-OE1 3.82Å; H714-E716 WeakPolarHBondContact CA-OE2 3.43Å; H714-E716 PolarHBondContact O-N 3.23Å; H714-E716 VanDerWaalsContact O-N 3.09Å
717	I	94.9	Very high	92.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-92	-3.9	176.1	61.9	159.2	0	0	0	112.8	F657 H714 P715 A719 F720 M721 W732	F657-I717 HydrophobicContact CE1-CG2 4.1Å; F657-I717 HydrophobicContact CZ-CG2 3.87Å; H714-I717 HydrophobicContact CB-CD1 4.28Å; H714-I717 HydrophobicContact CB-CG1 3.96Å; H714-I717 WeakPolarHBondContact O-CG1 3.28Å; H714-I717 PolarHBondContact O-N 3.11Å; P715-I717 VanDerWaalsContact C-N 3.26Å; P715-I717 PolarHBondContact O-N 3.43Å; I717-A719 PolarHBondContact O-N 3.05Å; I717-A719 VanDerWaalsContact O-N 3.1Å; I717-F720 PolarHBondContact O-N 3.39Å; I717-M721 HydrophobicContact CD1-CE 3.93Å; I717-M721 HydrophobicContact CD1-CG 4.14Å; I717-M721 HydrophobicContact CG1-CG 4.48Å; I717-M721 PolarHBondContact O-N 3.26Å; I717-W732 HydrophobicContact CG2-CB 4.38Å; I717-W732 HydrophobicContact CG2-CG 3.96Å
718	A	94	Very high	92.5	Very high	34 Å²	34	63.5 Å²	63.5	28%	0.281	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.4	-172.5	0	0	0	0	0	113.4	P711 P715 R722	P711-A718 HydrophobicContact CB-CB 3.87Å; P715-A718 WeakPolarHBondContact O-CB 3.37Å; P715-A718 PolarHBondContact O-N 2.92Å; P715-A718 VanDerWaalsContact O-N 3.13Å; A718-R722 WeakPolarHBondContact O-CG 3.3Å
719	A	93.3	Very high	92.2	Very high	47 Å²	47	69.6 Å²	69.6	39%	0.388	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-39.6	176.2	0	0	0	0	0	112.7	I717 M721	I717-A719 PolarHBondContact O-N 3.05Å; I717-A719 VanDerWaalsContact O-N 3.1Å; A719-M721 VanDerWaalsContact C-N 3.35Å
720	F	93.4	Very high	91.8	Very high	35 Å²	35	69.7 Å²	69.7	15%	0.154	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.4	-177.5	-50.2	-49.6	0	0	0	112.6	F657 I717 G727 Q728 E731 W732	F657-F720 HydrophobicContact CD1-CD2 4.4Å; F657-F720 AromaticContact CD1-CE2 3.64Å; F657-F720 HydrophobicContact CD1-CE2 3.64Å; F657-F720 HydrophobicContact CD1-CZ 4.32Å; F657-F720 AromaticContact CD2-CE2 3.86Å; F657-F720 HydrophobicContact CD2-CE2 3.86Å; F657-F720 HydrophobicContact CD2-CZ 4.18Å; F657-F720 HydrophobicContact CE1-CD2 4.07Å; F657-F720 AromaticContact CE1-CE2 3.56Å; F657-F720 HydrophobicContact CE1-CE2 3.56Å; F657-F720 AromaticContact CE2-CE2 3.76Å; F657-F720 HydrophobicContact CE2-CE2 3.76Å; F657-F720 HydrophobicContact CE2-CZ 4.44Å; F657-F720 AromaticContact CG-CE2 3.82Å; F657-F720 HydrophobicContact CG-CE2 3.82Å; F657-F720 HydrophobicContact CG-CZ 4.12Å; F657-F720 HydrophobicContact CZ-CD2 4.28Å; F657-F720 AromaticContact CZ-CE2 3.62Å; F657-F720 HydrophobicContact CZ-CE2 3.62Å; I717-F720 PolarHBondContact O-N 3.39Å; F720-G727 CarbonylContact O-C 3.37Å; F720-G727 VanDerWaalsContact O-CA 3.27Å; F720-G727 WeakPolarHBondContact O-CA 3.3Å; F720-Q728 HydrophobicContact CB-CB 3.9Å; F720-Q728 HydrophobicContact CD1-CB 4.2Å; F720-Q728 HydrophobicContact CG-CB 4.39Å; F720-E731 HydrophobicContact CD1-CB 3.84Å; F720-E731 HydrophobicContact CD1-CG 4.04Å; F720-E731 HydrophobicContact CD2-CB 4.13Å; F720-E731 HydrophobicContact CE1-CB 3.78Å; F720-E731 HydrophobicContact CE1-CG 3.65Å; F720-E731 HydrophobicContact CE2-CB 4.07Å; F720-E731 HydrophobicContact CG-CB 4.03Å; F720-E731 HydrophobicContact CZ-CB 3.89Å; F720-E731 HydrophobicContact CZ-CG 3.99Å; F720-W732 HydrophobicContact CD2-CB 4.22Å
721	M	92.2	Very high	91.8	Very high	22 Å²	22	68.4 Å²	68.4	11%	0.108	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.6	-179.1	-63.7	-61.9	163.2	0	0	114.4	F709 P711 I717 A719 G727	F709-M721 HydrophobicContact CB-CE 4.2Å; F709-M721 HydrophobicContact CD1-CE 3.56Å; F709-M721 HydrophobicContact CE1-CE 4.48Å; F709-M721 HydrophobicContact CG-CE 4.37Å; P711-M721 HydrophobicContact CB-CB 4.3Å; P711-M721 HydrophobicContact CB-CG 4.41Å; P711-M721 HydrophobicContact CG-CB 4.2Å; P711-M721 HydrophobicContact CG-CG 4.49Å; I717-M721 HydrophobicContact CD1-CE 3.93Å; I717-M721 HydrophobicContact CD1-CG 4.14Å; I717-M721 HydrophobicContact CG1-CG 4.48Å; I717-M721 PolarHBondContact O-N 3.26Å; A719-M721 VanDerWaalsContact C-N 3.35Å; M721-G727 WeakPolarHBondContact SD-CA 3.42Å; M721-G727 PolarHBondContact SD-N 3.06Å; M721-G727 VanDerWaalsContact SD-N 3.41Å
722	R	89.4	Confident	91.9	Very high	206 Å²	206	66.1 Å²	66.1	78%	0.777	35%	0.349	S	S	*	.	S	Bend	trans	-66.7	-41.5	-173.5	-61.6	-172.6	-170.7	154.2	3.2	113.5	A718	A718-R722 WeakPolarHBondContact O-CG 3.3Å
723	S	84.7	Confident	91.9	Very high	111 Å²	111	60.7 Å²	60.7	78%	0.776	32%	0.324	S	S	*	.	S	Bend	trans	-98	-14.1	-174.2	54.7	0	0	0	0	113.3
724	S	91.1	Very high	92	Very high	31 Å²	31	61 Å²	61	22%	0.217	31%	0.312	C	S	.	.			trans	-152.4	129.2	-173.8	170.8	0	0	0	0	110.3	H726 G727	S724-H726 PolarHBondContact O-N 3.01Å; S724-H726 VanDerWaalsContact O-N 3.14Å; S724-H726 WeakPolarHBondContact OG-CB 3.36Å; S724-H726 PolarHBondContact OG-N 3Å; S724-H726 VanDerWaalsContact OG-N 3.1Å; S724-G727 VanDerWaalsContact CB-O 3.29Å; S724-G727 WeakPolarHBondContact CB-O 3.31Å; S724-G727 PolarHBondContact O-N 3.22Å; S724-G727 PolarHBondContact OG-O 2.99Å
725	V	87.4	Confident	92	Very high	109 Å²	109	61.6 Å²	61.6	66%	0.661	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.1	171.8	-60.8	0	0	0	0	112.9
726	H	90.8	Very high	91.9	Very high	83 Å²	83	57.7 Å²	57.7	38%	0.384	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.7	173.8	-59.9	-58.2	0	0	0	112.6	S724 W733 R734 P735	S724-H726 PolarHBondContact O-N 3.01Å; S724-H726 VanDerWaalsContact O-N 3.14Å; S724-H726 WeakPolarHBondContact OG-CB 3.36Å; S724-H726 PolarHBondContact OG-N 3Å; S724-H726 VanDerWaalsContact OG-N 3.1Å; H726-W733 HydrophobicContact CB-CE3 4.04Å; H726-W733 HydrophobicContact CB-CH2 3.63Å; H726-W733 HydrophobicContact CB-CZ2 4.14Å; H726-W733 HydrophobicContact CB-CZ3 3.59Å; H726-R734 VanDerWaalsContact O-CB 3.26Å; H726-R734 WeakPolarHBondContact O-CB 3.4Å; H726-R734 PolarHBondContact O-N 2.57Å; H726-P735 HydrophobicContact CB-CG 4.31Å
727	G	92.8	Very high	92	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.5	-152.2	-174.5	0	0	0	0	0	113.1	F720 M721 S724 W732 W733	F720-G727 CarbonylContact O-C 3.37Å; F720-G727 VanDerWaalsContact O-CA 3.27Å; F720-G727 WeakPolarHBondContact O-CA 3.3Å; M721-G727 WeakPolarHBondContact SD-CA 3.42Å; M721-G727 PolarHBondContact SD-N 3.06Å; M721-G727 VanDerWaalsContact SD-N 3.41Å; S724-G727 VanDerWaalsContact CB-O 3.29Å; S724-G727 WeakPolarHBondContact CB-O 3.31Å; S724-G727 PolarHBondContact O-N 3.22Å; S724-G727 PolarHBondContact OG-O 2.99Å; G727-W732 WeakPolarHBondContact CA-O 3.39Å; G727-W733 WeakPolarHBondContact O-CZ3 3.42Å
728	Q	93	Very high	92.1	Very high	79 Å²	79	54.7 Å²	54.7	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	-178.9	-166.6	-175.6	-41.8	0	0	109.9	F720 E731 W732	F720-Q728 HydrophobicContact CB-CB 3.9Å; F720-Q728 HydrophobicContact CD1-CB 4.2Å; F720-Q728 HydrophobicContact CG-CB 4.39Å; Q728-E731 VanDerWaalsContact CD-OE2 3.31Å; Q728-E731 WeakPolarHBondContact CG-OE2 3.47Å; Q728-E731 PolarHBondContact NE2-OE1 2.72Å; Q728-E731 PolarHBondContact NE2-OE2 2.93Å; Q728-E731 VanDerWaalsContact NE2-OE2 3.07Å; Q728-E731 PolarHBondContact O-N 3.44Å; Q728-E731 VanDerWaalsContact O-N 3.08Å; Q728-W732 PolarHBondContact N-O 3.33Å; Q728-W732 CarbonylContact O-C 3.21Å; Q728-W732 PolarHBondContact O-N 3.12Å
729	W	88.5	Confident	92.1	Very high	134 Å²	134	54.5 Å²	54.5	51%	0.508	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	131.1	171.4	173.2	-92.1	0	0	0	109.9	W733 T736	W729-W733 HydrophobicContact CB-CB 4.49Å; W729-W733 HydrophobicContact CB-CD2 4.18Å; W729-W733 HydrophobicContact CB-CE3 4.39Å; W729-W733 HydrophobicContact CB-CG 4.23Å; W729-W733 HydrophobicContact CE3-CB 4.1Å; W729-W733 AromaticContact CE3-CD1 3.87Å; W729-W733 HydrophobicContact CE3-CG 4.12Å; W729-T736 HydrophobicContact CZ3-CG2 4.5Å
730	A	87.8	Confident	92.3	Very high	17 Å²	17	52.2 Å²	52.2	14%	0.14	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	cis	-99.4	10.6	5.2	0	0	0	0	0	114.2	Y653 V655 T658	Y653-A730 VanDerWaalsContact O-O 3.07Å; V655-A730 HydrophobicContact CG1-CB 4.23Å; T658-A730 PolarHBondContact OG1-O 3.06Å
731	E	92	Very high	92.6	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-65.7	-172.3	-65.7	78.6	-177.4	0	0	113.3	V655 T658 F720 Q728	V655-E731 HydrophobicContact CG2-CB 4.44Å; V655-E731 HydrophobicContact CG2-CG 4.19Å; T658-E731 PolarHBondContact OG1-O 3.38Å; F720-E731 HydrophobicContact CD1-CB 3.84Å; F720-E731 HydrophobicContact CD1-CG 4.04Å; F720-E731 HydrophobicContact CD2-CB 4.13Å; F720-E731 HydrophobicContact CE1-CB 3.78Å; F720-E731 HydrophobicContact CE1-CG 3.65Å; F720-E731 HydrophobicContact CE2-CB 4.07Å; F720-E731 HydrophobicContact CG-CB 4.03Å; F720-E731 HydrophobicContact CZ-CB 3.89Å; F720-E731 HydrophobicContact CZ-CG 3.99Å; Q728-E731 VanDerWaalsContact CD-OE2 3.31Å; Q728-E731 WeakPolarHBondContact CG-OE2 3.47Å; Q728-E731 PolarHBondContact NE2-OE1 2.72Å; Q728-E731 PolarHBondContact NE2-OE2 2.93Å; Q728-E731 VanDerWaalsContact NE2-OE2 3.07Å; Q728-E731 PolarHBondContact O-N 3.44Å; Q728-E731 VanDerWaalsContact O-N 3.08Å
732	W	94.7	Very high	92.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	99.5	176.7	-162	-121.3	0	0	0	108.9	F657 T658 H661 L662 V665 E708 F709 I717 F720 G727 Q728 Y740	F657-W732 HydrophobicContact CE1-CB 4.11Å; T658-W732 HydrophobicContact CG2-CE3 4.15Å; T658-W732 HydrophobicContact CG2-CZ3 4.11Å; H661-W732 AromaticContact CD2-CD2 3.67Å; H661-W732 AromaticContact CD2-CE2 3.54Å; H661-W732 AromaticContact CD2-CE3 3.75Å; H661-W732 AromaticContact CD2-CH2 3.67Å; H661-W732 AromaticContact CD2-CZ2 3.55Å; H661-W732 AromaticContact CD2-CZ3 3.76Å; H661-W732 AromaticContact NE2-CE2 3.74Å; H661-W732 AromaticContact NE2-CZ2 3.79Å; H661-W732 AromaticContact NE2-NE1 3.98Å; L662-W732 HydrophobicContact CD2-CH2 3.71Å; L662-W732 HydrophobicContact CD2-CZ3 3.83Å; L662-W732 HydrophobicContact CG-CH2 4.28Å; L662-W732 HydrophobicContact CG-CZ3 3.95Å; V665-W732 HydrophobicContact CG2-CH2 4.39Å; V665-W732 HydrophobicContact CG2-CZ2 4.35Å; E708-W732 HydrophobicContact CB-CZ2 4.36Å; E708-W732 PolarHBondContact O-NE1 3.17Å; F709-W732 AromaticContact CD1-CD1 3.54Å; F709-W732 HydrophobicContact CD1-CG 4.46Å; F709-W732 AromaticContact CD1-NE1 3.43Å; F709-W732 AromaticContact CE1-CD1 3.43Å; F709-W732 VanDerWaalsContact CE1-CD1 3.43Å; F709-W732 HydrophobicContact CE1-CD2 4.12Å; F709-W732 AromaticContact CE1-CE2 3.66Å; F709-W732 AromaticContact CE1-CG 3.99Å; F709-W732 HydrophobicContact CE1-CG 3.99Å; F709-W732 HydrophobicContact CE1-CZ2 4.34Å; F709-W732 AromaticContact CE1-NE1 3.22Å; F709-W732 AromaticContact CZ-CE2 3.92Å; F709-W732 HydrophobicContact CZ-CZ2 4.13Å; F709-W732 AromaticContact CZ-NE1 3.82Å; I717-W732 HydrophobicContact CG2-CB 4.38Å; I717-W732 HydrophobicContact CG2-CG 3.96Å; F720-W732 HydrophobicContact CD2-CB 4.22Å; G727-W732 WeakPolarHBondContact CA-O 3.39Å; Q728-W732 PolarHBondContact N-O 3.33Å; Q728-W732 CarbonylContact O-C 3.21Å; Q728-W732 PolarHBondContact O-N 3.12Å; W732-Y740 HydrophobicContact CD2-CE2 4Å; W732-Y740 HydrophobicContact CE3-CD2 4.3Å; W732-Y740 HydrophobicContact CE3-CE1 4.44Å; W732-Y740 AromaticContact CE3-CE2 3.59Å; W732-Y740 HydrophobicContact CE3-CE2 3.59Å; W732-Y740 AromaticContact CE3-CZ 3.67Å; W732-Y740 AromaticContact CH2-CD2 3.59Å; W732-Y740 HydrophobicContact CH2-CD2 3.59Å; W732-Y740 AromaticContact CH2-CE2 3.75Å; W732-Y740 HydrophobicContact CH2-CE2 3.75Å; W732-Y740 HydrophobicContact CH2-CG 4.13Å; W732-Y740 HydrophobicContact CZ2-CD2 4.1Å; W732-Y740 HydrophobicContact CZ2-CE2 4.15Å; W732-Y740 HydrophobicContact CZ3-CD1 4.29Å; W732-Y740 AromaticContact CZ3-CD2 3.7Å; W732-Y740 HydrophobicContact CZ3-CD2 3.7Å; W732-Y740 HydrophobicContact CZ3-CE1 4.06Å; W732-Y740 AromaticContact CZ3-CE2 3.45Å; W732-Y740 HydrophobicContact CZ3-CE2 3.45Å; W732-Y740 VanDerWaalsContact CZ3-CE2 3.45Å; W732-Y740 HydrophobicContact CZ3-CG 4.13Å; W732-Y740 AromaticContact CZ3-CZ 3.65Å
733	W	94.8	Very high	93.2	Very high	70 Å²	70	39.8 Å²	39.8	27%	0.265	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.2	-167.9	-173.4	-117.4	0	0	0	110.9	H726 G727 W729 P735 T736 Y740	H726-W733 HydrophobicContact CB-CE3 4.04Å; H726-W733 HydrophobicContact CB-CH2 3.63Å; H726-W733 HydrophobicContact CB-CZ2 4.14Å; H726-W733 HydrophobicContact CB-CZ3 3.59Å; G727-W733 WeakPolarHBondContact O-CZ3 3.42Å; W729-W733 HydrophobicContact CB-CB 4.49Å; W729-W733 HydrophobicContact CB-CD2 4.18Å; W729-W733 HydrophobicContact CB-CE3 4.39Å; W729-W733 HydrophobicContact CB-CG 4.23Å; W729-W733 HydrophobicContact CE3-CB 4.1Å; W729-W733 AromaticContact CE3-CD1 3.87Å; W729-W733 HydrophobicContact CE3-CG 4.12Å; W733-P735 HydrophobicContact CD2-CG 4.28Å; W733-P735 HydrophobicContact CG-CG 4.5Å; W733-P735 HydrophobicContact CZ2-CG 3.87Å; W733-T736 WeakPolarHBondContact O-CB 3.43Å; W733-T736 PolarHBondContact O-N 3.33Å; W733-Y740 PolarHBondContact N-OH 2.82Å; W733-Y740 VanDerWaalsContact N-OH 3.11Å
734	R	95	Very high	93.9	Very high	63 Å²	63	34.5 Å²	34.5	24%	0.238	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-56.3	-41	-174.6	-170.8	175.4	-175.3	-163.6	2.7	113.9	F705 F709 H726 T736 S737	F705-R734 HydrophobicContact CD2-CG 3.73Å; F705-R734 HydrophobicContact CE2-CG 3.59Å; F705-R734 HydrophobicContact CZ-CG 4.34Å; F705-R734 PolarHBondContact O-NE 3.18Å; F705-R734 PolarHBondContact O-NH2 2.72Å; F705-R734 VanDerWaalsContact O-NH2 3.1Å; F709-R734 HydrophobicContact CB-CG 4.21Å; F709-R734 HydrophobicContact CD1-CB 3.59Å; F709-R734 HydrophobicContact CD1-CG 3.95Å; F709-R734 HydrophobicContact CD2-CB 4.27Å; F709-R734 HydrophobicContact CD2-CG 3.74Å; F709-R734 HydrophobicContact CE1-CB 3.78Å; F709-R734 HydrophobicContact CE1-CG 4.29Å; F709-R734 HydrophobicContact CE2-CB 4.42Å; F709-R734 HydrophobicContact CE2-CG 4.09Å; F709-R734 HydrophobicContact CG-CB 3.87Å; F709-R734 HydrophobicContact CG-CG 3.68Å; F709-R734 HydrophobicContact CZ-CB 4.2Å; F709-R734 HydrophobicContact CZ-CG 4.36Å; H726-R734 VanDerWaalsContact O-CB 3.26Å; H726-R734 WeakPolarHBondContact O-CB 3.4Å; H726-R734 PolarHBondContact O-N 2.57Å; R734-T736 PolarHBondContact O-N 3.34Å; R734-T736 VanDerWaalsContact O-N 3.11Å; R734-S737 WeakPolarHBondContact O-CB 3.07Å; R734-S737 PolarHBondContact O-N 3.24Å; R734-S737 VanDerWaalsContact O-N 3.12Å; R734-S737 PolarHBondContact O-OG 3.41Å
735	P	92.8	Very high	94.2	Very high	32 Å²	32	33 Å²	33	21%	0.208	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-60.3	-17.2	173.8	-27.1	36.3	0	0	0	115.3	Y600 Y602 H726 W733 S737	Y600-P735 WeakPolarHBondContact CE2-O 3.32Å; Y600-P735 PolarHBondContact OH-O 2.98Å; Y602-P735 HydrophobicContact CE2-CB 4.46Å; H726-P735 HydrophobicContact CB-CG 4.31Å; W733-P735 HydrophobicContact CD2-CG 4.28Å; W733-P735 HydrophobicContact CG-CG 4.5Å; W733-P735 HydrophobicContact CZ2-CG 3.87Å; P735-S737 VanDerWaalsContact C-N 3.32Å
736	T	93.6	Very high	94.7	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.067	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-88.5	6.5	177.5	-57.8	0	0	0	0	113.2	Y653 W729 W733 R734 S738 M739 Y740	Y653-T736 HydrophobicContact CD1-CG2 4.13Å; Y653-T736 HydrophobicContact CD2-CG2 4.4Å; Y653-T736 HydrophobicContact CG-CG2 3.89Å; W729-T736 HydrophobicContact CZ3-CG2 4.5Å; W733-T736 WeakPolarHBondContact O-CB 3.43Å; W733-T736 PolarHBondContact O-N 3.33Å; R734-T736 PolarHBondContact O-N 3.34Å; R734-T736 VanDerWaalsContact O-N 3.11Å; T736-S738 PolarHBondContact O-N 3.27Å; T736-M739 HydrophobicContact CG2-CB 3.77Å; T736-M739 HydrophobicContact CG2-CG 4.04Å; T736-M739 HydrophobicContact CG2-SD 3.86Å; T736-M739 PolarHBondContact O-N 3.08Å; T736-Y740 HydrophobicContact CG2-CD1 4.06Å; T736-Y740 HydrophobicContact CG2-CE1 3.71Å; T736-Y740 PolarHBondContact O-N 3.09Å; T736-Y740 VanDerWaalsContact O-N 3.13Å
737	S	96.6	Very high	95.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-48.5	-36.9	179.8	-65.4	0	0	0	0	113.9	F709 R734 P735 M739 Y740 A741	F709-S737 WeakPolarHBondContact CE2-OG 3.28Å; R734-S737 WeakPolarHBondContact O-CB 3.07Å; R734-S737 PolarHBondContact O-N 3.24Å; R734-S737 VanDerWaalsContact O-N 3.12Å; R734-S737 PolarHBondContact O-OG 3.41Å; P735-S737 VanDerWaalsContact C-N 3.32Å; S737-M739 PolarHBondContact O-N 2.78Å; S737-Y740 PolarHBondContact O-N 2.89Å; S737-A741 WeakPolarHBondContact O-CB 3.31Å; S737-A741 PolarHBondContact O-N 3.23Å
738	S	95.4	Very high	95.3	Very high	17 Å²	17	26.5 Å²	26.5	12%	0.119	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-35.7	177.5	63.4	0	0	0	0	113.2	Y600 T701 T736 Q742	Y600-S738 WeakPolarHBondContact OH-CB 3.42Å; Y600-S738 PolarHBondContact OH-N 3.19Å; Y600-S738 PolarHBondContact OH-OG 3.05Å; T701-S738 WeakPolarHBondContact OG1-CA 3.38Å; T736-S738 PolarHBondContact O-N 3.27Å; S738-Q742 WeakPolarHBondContact O-CB 3.41Å; S738-Q742 WeakPolarHBondContact O-CG 3.44Å; S738-Q742 PolarHBondContact O-N 3.45Å; S738-Q742 VanDerWaalsContact O-N 3.12Å; S738-Q742 PolarHBondContact O-NE2 3.06Å
739	M	95.5	Very high	95.6	Very high	30 Å²	30	26.2 Å²	26.2	15%	0.148	12%	0.119	C	C	.	.	H	α-helix	trans	-78	-37.3	178.4	-52.3	-179	83.4	0	0	111	Y653 T736 S737 A741 Q742 E743	Y653-M739 HydrophobicContact CD1-CB 3.94Å; Y653-M739 HydrophobicContact CD1-CE 3.63Å; Y653-M739 HydrophobicContact CD1-CG 4.46Å; Y653-M739 HydrophobicContact CD1-SD 3.68Å; Y653-M739 HydrophobicContact CE1-CB 3.53Å; Y653-M739 HydrophobicContact CE1-CE 3.67Å; Y653-M739 HydrophobicContact CE1-CG 4.35Å; Y653-M739 HydrophobicContact CE1-SD 4.04Å; T736-M739 HydrophobicContact CG2-CB 3.77Å; T736-M739 HydrophobicContact CG2-CG 4.04Å; T736-M739 HydrophobicContact CG2-SD 3.86Å; T736-M739 PolarHBondContact O-N 3.08Å; S737-M739 PolarHBondContact O-N 2.78Å; M739-A741 VanDerWaalsContact C-N 3.32Å; M739-A741 PolarHBondContact O-N 2.89Å; M739-Q742 WeakPolarHBondContact O-CB 3.44Å; M739-Q742 PolarHBondContact O-N 3.12Å; M739-E743 PolarHBondContact O-N 3.23Å
740	Y	97.8	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.6	-44.4	171.6	-62.6	-21.4	0	0	0	111.7	Y653 T658 L662 F709 W732 W733 T736 S737 E743 I744	Y653-Y740 AromaticContact CD2-CD1 3.94Å; Y653-Y740 HydrophobicContact CD2-CD1 3.94Å; Y653-Y740 AromaticContact CD2-CE1 3.55Å; Y653-Y740 HydrophobicContact CD2-CE1 3.55Å; Y653-Y740 AromaticContact CE2-CD1 3.84Å; Y653-Y740 HydrophobicContact CE2-CD1 3.84Å; Y653-Y740 AromaticContact CE2-CE1 3.95Å; Y653-Y740 HydrophobicContact CE2-CE1 3.95Å; Y653-Y740 HydrophobicContact CG-CE1 4.3Å; T658-Y740 HydrophobicContact CG2-CE1 3.74Å; L662-Y740 HydrophobicContact CD1-CD1 3.96Å; L662-Y740 HydrophobicContact CD1-CE1 4.42Å; L662-Y740 HydrophobicContact CD2-CD1 3.93Å; L662-Y740 HydrophobicContact CD2-CG 3.83Å; L662-Y740 HydrophobicContact CG-CD1 4.45Å; F709-Y740 HydrophobicContact CE1-CE2 4.32Å; F709-Y740 HydrophobicContact CZ-CD2 4.05Å; F709-Y740 AromaticContact CZ-CE2 3.92Å; F709-Y740 HydrophobicContact CZ-CE2 3.92Å; W732-Y740 HydrophobicContact CD2-CE2 4Å; W732-Y740 HydrophobicContact CE3-CD2 4.3Å; W732-Y740 HydrophobicContact CE3-CE1 4.44Å; W732-Y740 AromaticContact CE3-CE2 3.59Å; W732-Y740 HydrophobicContact CE3-CE2 3.59Å; W732-Y740 AromaticContact CE3-CZ 3.67Å; W732-Y740 AromaticContact CH2-CD2 3.59Å; W732-Y740 HydrophobicContact CH2-CD2 3.59Å; W732-Y740 AromaticContact CH2-CE2 3.75Å; W732-Y740 HydrophobicContact CH2-CE2 3.75Å; W732-Y740 HydrophobicContact CH2-CG 4.13Å; W732-Y740 HydrophobicContact CZ2-CD2 4.1Å; W732-Y740 HydrophobicContact CZ2-CE2 4.15Å; W732-Y740 HydrophobicContact CZ3-CD1 4.29Å; W732-Y740 AromaticContact CZ3-CD2 3.7Å; W732-Y740 HydrophobicContact CZ3-CD2 3.7Å; W732-Y740 HydrophobicContact CZ3-CE1 4.06Å; W732-Y740 AromaticContact CZ3-CE2 3.45Å; W732-Y740 HydrophobicContact CZ3-CE2 3.45Å; W732-Y740 VanDerWaalsContact CZ3-CE2 3.45Å; W732-Y740 HydrophobicContact CZ3-CG 4.13Å; W732-Y740 AromaticContact CZ3-CZ 3.65Å; W733-Y740 PolarHBondContact N-OH 2.82Å; W733-Y740 VanDerWaalsContact N-OH 3.11Å; T736-Y740 HydrophobicContact CG2-CD1 4.06Å; T736-Y740 HydrophobicContact CG2-CE1 3.71Å; T736-Y740 PolarHBondContact O-N 3.09Å; T736-Y740 VanDerWaalsContact O-N 3.13Å; S737-Y740 PolarHBondContact O-N 2.89Å; Y740-E743 PolarHBondContact O-N 3.33Å; Y740-I744 WeakPolarHBondContact O-CG1 3.32Å; Y740-I744 PolarHBondContact O-N 3.11Å; Y740-I744 VanDerWaalsContact O-N 3.1Å
741	A	98.2	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.3	-42	176.3	0	0	0	0	0	112.4	L700 T701 L704 S737 M739 E743 I744 V745	L700-A741 HydrophobicContact CB-CB 3.99Å; L700-A741 HydrophobicContact CD2-CB 4.23Å; L700-A741 HydrophobicContact CG-CB 3.91Å; T701-A741 VanDerWaalsContact OG1-CB 3.25Å; T701-A741 WeakPolarHBondContact OG1-CB 3.49Å; L704-A741 HydrophobicContact CD1-CB 3.85Å; S737-A741 WeakPolarHBondContact O-CB 3.31Å; S737-A741 PolarHBondContact O-N 3.23Å; M739-A741 VanDerWaalsContact C-N 3.32Å; M739-A741 PolarHBondContact O-N 2.89Å; A741-E743 VanDerWaalsContact C-N 3.32Å; A741-E743 PolarHBondContact O-N 2.75Å; A741-I744 PolarHBondContact O-N 3Å; A741-V745 WeakPolarHBondContact O-CB 3.21Å; A741-V745 VanDerWaalsContact O-CG2 3.3Å; A741-V745 WeakPolarHBondContact O-CG2 3.29Å; A741-V745 PolarHBondContact O-N 3.03Å
742	Q	97.3	Very high	95.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-46	174.6	-75.4	172.3	60.3	0	0	111.3	Y606 I679 G680 W683 A697 S738 M739 I744 V745 L746	Y606-Q742 VanDerWaalsContact OH-CD 3.31Å; Y606-Q742 WeakPolarHBondContact OH-CG 3.41Å; Y606-Q742 PolarHBondContact OH-NE2 3.34Å; Y606-Q742 VanDerWaalsContact OH-NE2 3.16Å; I679-Q742 HydrophobicContact CG2-CB 4.22Å; G680-Q742 PolarHBondContact O-OE1 3.1Å; W683-Q742 HydrophobicContact CH2-CB 4.44Å; W683-Q742 HydrophobicContact CH2-CG 3.98Å; W683-Q742 HydrophobicContact CZ2-CB 3.57Å; W683-Q742 HydrophobicContact CZ2-CG 3.34Å; A697-Q742 HydrophobicContact CB-CG 4.23Å; S738-Q742 WeakPolarHBondContact O-CB 3.41Å; S738-Q742 WeakPolarHBondContact O-CG 3.44Å; S738-Q742 PolarHBondContact O-N 3.45Å; S738-Q742 VanDerWaalsContact O-N 3.12Å; S738-Q742 PolarHBondContact O-NE2 3.06Å; M739-Q742 WeakPolarHBondContact O-CB 3.44Å; M739-Q742 PolarHBondContact O-N 3.12Å; Q742-I744 PolarHBondContact O-N 3.25Å; Q742-V745 PolarHBondContact O-N 3.42Å; Q742-L746 WeakPolarHBondContact O-CG 3.26Å; Q742-L746 PolarHBondContact O-N 2.77Å
743	E	97.7	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-50.6	178.4	-174.3	168.9	128.2	0	0	112.1	Y653 L662 H673 H677 D678 I679 M739 Y740 A741 V745 N747	Y653-E743 WeakPolarHBondContact CE2-OE2 3.39Å; Y653-E743 PolarHBondContact OH-OE2 2.82Å; L662-E743 WeakPolarHBondContact CD1-OE1 3.42Å; H673-E743 IonicContact CE1-OE1 3.36Å; H673-E743 IonicContact NE2-OE1 2.81Å; H673-E743 PolarHBondContact NE2-OE1 3.21Å; H677-E743 WeakPolarHBondContact CA-OE2 3.37Å; H677-E743 IonicContact CE1-OE1 3.18Å; H677-E743 IonicContact CG-OE1 3.65Å; H677-E743 IonicContact ND1-OE1 3.65Å; H677-E743 PolarHBondContact ND1-OE1 3.16Å; D678-E743 PolarHBondContact N-OE2 3.25Å; I679-E743 HydrophobicContact CB-CB 4.35Å; I679-E743 HydrophobicContact CD1-CB 4.25Å; I679-E743 HydrophobicContact CD1-CG 4.08Å; M739-E743 PolarHBondContact O-N 3.23Å; Y740-E743 PolarHBondContact O-N 3.33Å; A741-E743 VanDerWaalsContact C-N 3.32Å; A741-E743 PolarHBondContact O-N 2.75Å; E743-V745 PolarHBondContact O-N 3.39Å; E743-N747 VanDerWaalsContact O-CB 3.28Å; E743-N747 WeakPolarHBondContact O-CB 3.35Å; E743-N747 PolarHBondContact O-N 3.47Å; E743-N747 PolarHBondContact O-ND2 3.3Å
744	I	98.6	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-44.1	-179.9	-64.5	175.4	0	0	0	110.8	L662 V665 A666 Y671 L700 L704 Y740 A741 Q742 N747 H748	L662-I744 HydrophobicContact CD2-CD1 4.31Å; L662-I744 HydrophobicContact CD2-CG1 4.5Å; V665-I744 HydrophobicContact CG1-CD1 4.03Å; A666-I744 HydrophobicContact CB-CD1 4.21Å; A666-I744 HydrophobicContact CB-CG1 4.1Å; A666-I744 HydrophobicContact CB-CG2 3.98Å; Y671-I744 HydrophobicContact CD1-CG2 4.04Å; Y671-I744 HydrophobicContact CD2-CG2 4.02Å; Y671-I744 HydrophobicContact CG-CG2 3.59Å; L700-I744 HydrophobicContact CD2-CB 3.7Å; L700-I744 HydrophobicContact CD2-CD1 4.37Å; L700-I744 HydrophobicContact CD2-CG2 3.62Å; L704-I744 HydrophobicContact CD1-CD1 4.25Å; L704-I744 HydrophobicContact CD2-CD1 4.44Å; Y740-I744 WeakPolarHBondContact O-CG1 3.32Å; Y740-I744 PolarHBondContact O-N 3.11Å; Y740-I744 VanDerWaalsContact O-N 3.1Å; A741-I744 PolarHBondContact O-N 3Å; Q742-I744 PolarHBondContact O-N 3.25Å; I744-N747 PolarHBondContact O-N 2.94Å; I744-H748 WeakPolarHBondContact O-CB 3.48Å; I744-H748 PolarHBondContact O-N 3.01Å
745	V	98.5	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-48	-179.4	162.7	0	0	0	0	111.6	L693 A697 L700 A741 Q742 E743 H748 F749	L693-V745 HydrophobicContact CB-CG1 4.43Å; L693-V745 HydrophobicContact CD2-CG1 4.03Å; A697-V745 HydrophobicContact CB-CB 4.49Å; A697-V745 HydrophobicContact CB-CG1 4.42Å; A697-V745 HydrophobicContact CB-CG2 4.35Å; L700-V745 HydrophobicContact CB-CG2 4.38Å; L700-V745 HydrophobicContact CD2-CG2 3.92Å; A741-V745 WeakPolarHBondContact O-CB 3.21Å; A741-V745 VanDerWaalsContact O-CG2 3.3Å; A741-V745 WeakPolarHBondContact O-CG2 3.29Å; A741-V745 PolarHBondContact O-N 3.03Å; Q742-V745 PolarHBondContact O-N 3.42Å; E743-V745 PolarHBondContact O-N 3.39Å; V745-H748 PolarHBondContact O-N 3.32Å; V745-F749 HydrophobicContact CG1-CD2 3.92Å; V745-F749 HydrophobicContact CG1-CE2 4.47Å; V745-F749 WeakPolarHBondContact O-CD2 3.44Å; V745-F749 PolarHBondContact O-N 3.35Å
746	L	98.1	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-42.7	177.6	-64.8	-169.2	0	0	0	110.8	F646 T648 I679 W683 L693 Q742 H748 L750 L753	F646-L746 HydrophobicContact CE1-CD1 3.62Å; F646-L746 HydrophobicContact CE1-CD2 3.89Å; F646-L746 HydrophobicContact CE1-CG 4.46Å; F646-L746 HydrophobicContact CZ-CD1 4.12Å; F646-L746 HydrophobicContact CZ-CD2 3.86Å; T648-L746 HydrophobicContact CG2-CD1 4.48Å; I679-L746 HydrophobicContact CD1-CB 3.7Å; I679-L746 HydrophobicContact CD1-CD1 3.75Å; I679-L746 HydrophobicContact CD1-CG 4.18Å; I679-L746 HydrophobicContact CG1-CD1 4.32Å; I679-L746 HydrophobicContact CG2-CD1 3.71Å; W683-L746 HydrophobicContact CH2-CD2 4.12Å; W683-L746 HydrophobicContact CH2-CG 4.48Å; W683-L746 HydrophobicContact CZ2-CD1 4.06Å; W683-L746 HydrophobicContact CZ2-CD2 4.03Å; W683-L746 HydrophobicContact CZ2-CG 3.98Å; L693-L746 HydrophobicContact CB-CD2 4.43Å; L693-L746 HydrophobicContact CD1-CD2 3.66Å; L693-L746 HydrophobicContact CD2-CD2 4.13Å; L693-L746 HydrophobicContact CG-CD2 4.29Å; Q742-L746 WeakPolarHBondContact O-CG 3.26Å; Q742-L746 PolarHBondContact O-N 2.77Å; L746-H748 PolarHBondContact O-N 3.3Å; L746-L750 WeakPolarHBondContact O-CB 3.5Å; L746-L750 PolarHBondContact O-N 3.31Å; L746-L753 HydrophobicContact CB-CD1 4.36Å; L746-L753 HydrophobicContact CB-CD2 4.14Å
747	N	98.3	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-23.5	176.7	-88.9	-91.3	0	0	0	113.3	R672 R674 G675 I676 E743 I744 L753	R672-N747 CarbonylContact O-C 3.42Å; R674-N747 WeakPolarHBondContact CA-OD1 3.25Å; R674-N747 WeakPolarHBondContact CB-OD1 3.44Å; R674-N747 WeakPolarHBondContact CD-O 3.35Å; R674-N747 WeakPolarHBondContact CG-O 3.4Å; R674-N747 PolarHBondContact N-OD1 2.77Å; R674-N747 PolarHBondContact NH1-O 3.15Å; G675-N747 PolarHBondContact N-OD1 3.43Å; I676-N747 PolarHBondContact N-OD1 3.48Å; I676-N747 PolarHBondContact O-ND2 2.83Å; I676-N747 PolarHBondContact O-OD1 3.22Å; E743-N747 VanDerWaalsContact O-CB 3.28Å; E743-N747 WeakPolarHBondContact O-CB 3.35Å; E743-N747 PolarHBondContact O-N 3.47Å; E743-N747 PolarHBondContact O-ND2 3.3Å; I744-N747 PolarHBondContact O-N 2.94Å; N747-L753 HydrophobicContact CB-CD2 4.21Å
748	H	98.3	Very high	95.1	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.259	18%	0.175	S	C	.	.	H	α-helix	trans	-88.8	-51.1	178	-173.5	61.4	0	0	0	112.4	Y671 R672 R674 I744 V745 L746	Y671-H748 HydrophobicContact CD1-CB 3.95Å; Y671-H748 AromaticContact CD1-CD2 3.76Å; Y671-H748 AromaticContact CD1-CG 3.76Å; R672-H748 PolarHBondContact N-ND1 3.23Å; R672-H748 WeakPolarHBondContact O-CA 3.4Å; R672-H748 PolarHBondContact O-N 3.05Å; R674-H748 PolarHBondContact NH1-O 2.91Å; I744-H748 WeakPolarHBondContact O-CB 3.48Å; I744-H748 PolarHBondContact O-N 3.01Å; V745-H748 PolarHBondContact O-N 3.32Å; L746-H748 PolarHBondContact O-N 3.3Å
749	F	97.6	Very high	95	Very high	74 Å²	74	34.7 Å²	34.7	33%	0.325	18%	0.182	S	C	.	.	H	α-helix	trans	-95.5	-20.1	-167.6	-69.4	-71.3	0	0	0	115.2	Y671 L693 Y696 V745	Y671-F749 HydrophobicContact CE1-CE2 4.45Å; L693-F749 HydrophobicContact CD2-CB 3.64Å; L693-F749 HydrophobicContact CD2-CG 4.41Å; Y696-F749 AromaticContact CD1-CE2 3.88Å; Y696-F749 HydrophobicContact CD1-CE2 3.88Å; Y696-F749 AromaticContact CD1-CZ 3.75Å; Y696-F749 HydrophobicContact CD1-CZ 3.75Å; Y696-F749 HydrophobicContact CD2-CD2 4.13Å; Y696-F749 HydrophobicContact CD2-CE1 4.48Å; Y696-F749 AromaticContact CD2-CE2 3.74Å; Y696-F749 HydrophobicContact CD2-CE2 3.74Å; Y696-F749 AromaticContact CD2-CZ 3.93Å; Y696-F749 HydrophobicContact CD2-CZ 3.93Å; Y696-F749 HydrophobicContact CE1-CE1 4.49Å; Y696-F749 HydrophobicContact CE1-CE2 4.39Å; Y696-F749 AromaticContact CE1-CZ 3.82Å; Y696-F749 HydrophobicContact CE1-CZ 3.82Å; Y696-F749 HydrophobicContact CE2-CE1 4.21Å; Y696-F749 HydrophobicContact CE2-CE2 4.27Å; Y696-F749 HydrophobicContact CE2-CZ 4Å; Y696-F749 HydrophobicContact CG-CD2 4.28Å; Y696-F749 AromaticContact CG-CE2 3.53Å; Y696-F749 HydrophobicContact CG-CE2 3.53Å; Y696-F749 AromaticContact CG-CZ 3.81Å; Y696-F749 HydrophobicContact CG-CZ 3.81Å; Y696-F749 AromaticContact CZ-CZ 3.95Å; V745-F749 HydrophobicContact CG1-CD2 3.92Å; V745-F749 HydrophobicContact CG1-CE2 4.47Å; V745-F749 WeakPolarHBondContact O-CD2 3.44Å; V745-F749 PolarHBondContact O-N 3.35Å
750	L	94.7	Very high	94.8	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	19%	0.186	C	C	.	.			trans	-97.7	103	-179	-169.5	68.3	0	0	0	110.1	F646 R674 L689 L746 D752 L753 T757	F646-L750 HydrophobicContact CB-CD1 4.37Å; F646-L750 HydrophobicContact CB-CD2 4.18Å; F646-L750 HydrophobicContact CD1-CD2 3.91Å; F646-L750 HydrophobicContact CG-CD2 4.28Å; R674-L750 PolarHBondContact NH1-O 3.08Å; L689-L750 HydrophobicContact CD2-CD1 4.22Å; L746-L750 WeakPolarHBondContact O-CB 3.5Å; L746-L750 PolarHBondContact O-N 3.31Å; L750-D752 VanDerWaalsContact C-N 3.34Å; L750-D752 WeakPolarHBondContact CD1-OD1 3.13Å; L750-D752 VanDerWaalsContact CG-OD1 3.32Å; L750-D752 WeakPolarHBondContact CG-OD1 3.15Å; L750-D752 PolarHBondContact O-N 3.21Å; L750-L753 HydrophobicContact CB-CB 4.1Å; L750-L753 HydrophobicContact CD2-CB 4.12Å; L750-L753 HydrophobicContact CD2-CD1 3.97Å; L750-L753 HydrophobicContact CG-CB 4.19Å; L750-L753 VanDerWaalsContact O-CB 3.26Å; L750-L753 WeakPolarHBondContact O-CB 3.25Å; L750-L753 PolarHBondContact O-N 3.33Å; L750-T757 HydrophobicContact CD2-CG2 4.09Å
751	D	89.3	Confident	94.5	Very high	127 Å²	127	37.4 Å²	37.4	68%	0.679	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-33.5	-174.1	-73.7	-29.8	0	0	0	113.7	R674 L753	R674-D751 IonicContact CZ-OD1 3.54Å; R674-D751 IonicContact NH2-OD1 3.2Å; R674-D751 PolarHBondContact NH2-OD1 2.92Å; D751-L753 VanDerWaalsContact C-N 3.33Å
752	D	89.1	Confident	94.3	Very high	75 Å²	75	38.1 Å²	38.1	40%	0.401	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	14.6	177.3	67.9	-31.4	0	0	0	113.4	L750 S754	L750-D752 VanDerWaalsContact C-N 3.34Å; L750-D752 WeakPolarHBondContact CD1-OD1 3.13Å; L750-D752 VanDerWaalsContact CG-OD1 3.32Å; L750-D752 WeakPolarHBondContact CG-OD1 3.15Å; L750-D752 PolarHBondContact O-N 3.21Å; D752-S754 PolarHBondContact O-N 2.97Å; D752-S754 PolarHBondContact O-OG 3.06Å
753	L	94.4	Very high	94.1	Very high	13 Å²	13	38 Å²	38	7%	0.068	21%	0.206	C	C	.	.			trans	-60.9	121.5	174.6	-175	72	0	0	0	110.4	I676 I679 L746 N747 L750 D751 T757	I676-L753 HydrophobicContact CB-CD2 3.78Å; I676-L753 HydrophobicContact CB-CG 4.09Å; I676-L753 HydrophobicContact CG1-CD2 4.09Å; I676-L753 HydrophobicContact CG1-CG 4.05Å; I676-L753 HydrophobicContact CG2-CD1 4.34Å; I676-L753 HydrophobicContact CG2-CD2 4.04Å; I676-L753 HydrophobicContact CG2-CG 4.02Å; I679-L753 HydrophobicContact CD1-CD1 4.47Å; I679-L753 HydrophobicContact CD1-CD2 4.25Å; L746-L753 HydrophobicContact CB-CD1 4.36Å; L746-L753 HydrophobicContact CB-CD2 4.14Å; N747-L753 HydrophobicContact CB-CD2 4.21Å; L750-L753 HydrophobicContact CB-CB 4.1Å; L750-L753 HydrophobicContact CD2-CB 4.12Å; L750-L753 HydrophobicContact CD2-CD1 3.97Å; L750-L753 HydrophobicContact CG-CB 4.19Å; L750-L753 VanDerWaalsContact O-CB 3.26Å; L750-L753 WeakPolarHBondContact O-CB 3.25Å; L750-L753 PolarHBondContact O-N 3.33Å; D751-L753 VanDerWaalsContact C-N 3.33Å; L753-T757 HydrophobicContact CD1-CG2 3.83Å
754	S	92.7	Very high	93.9	Very high	32 Å²	32	38.5 Å²	38.5	22%	0.224	21%	0.209	C	C	.	.			trans	-144.9	171	-178.5	49.7	0	0	0	0	109.8	K644 D752 E756 T757	K644-S754 PolarHBondContact NZ-OG 3.09Å; D752-S754 PolarHBondContact O-N 2.97Å; D752-S754 PolarHBondContact O-OG 3.06Å; S754-E756 PolarHBondContact O-N 2.91Å; S754-T757 PolarHBondContact N-OG1 3.45Å; S754-T757 VanDerWaalsContact O-CB 3.25Å; S754-T757 WeakPolarHBondContact O-CB 3.21Å; S754-T757 PolarHBondContact O-N 2.94Å; S754-T757 PolarHBondContact O-OG1 2.9Å; S754-T757 PolarHBondContact OG-OG1 2.85Å
755	A	88.3	Confident	93.6	Very high	75 Å²	75	38.6 Å²	38.6	62%	0.62	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-56.5	-31.2	174.4	0	0	0	0	0	112.4	T757 I758	A755-T757 VanDerWaalsContact C-N 3.26Å; A755-T757 PolarHBondContact O-N 3.19Å; A755-I758 PolarHBondContact O-N 2.77Å
756	E	89	Confident	93.1	Very high	134 Å²	134	40.7 Å²	40.7	63%	0.626	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-70.6	-18	176.6	-63	159.6	-174.5	0	0	114	K644 S754 I758 R759	K644-E756 VanDerWaalsContact NZ-CB 3.32Å; K644-E756 IonicContact NZ-OE2 3.35Å; K644-E756 PolarHBondContact NZ-OE2 3.38Å; S754-E756 PolarHBondContact O-N 2.91Å; E756-I758 VanDerWaalsContact C-N 3.25Å; E756-R759 VanDerWaalsContact O-CD 3.3Å; E756-R759 WeakPolarHBondContact O-CD 3.46Å
757	T	93.6	Very high	92.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-72.2	-25	173.1	-53.6	0	0	0	0	111	F646 I647 T648 L750 L753 S754 A755 R759	F646-T757 HydrophobicContact CD1-CG2 4.29Å; F646-T757 WeakPolarHBondContact O-CG2 3.48Å; I647-T757 WeakPolarHBondContact CA-O 3.38Å; T648-T757 PolarHBondContact N-O 2.93Å; L750-T757 HydrophobicContact CD2-CG2 4.09Å; L753-T757 HydrophobicContact CD1-CG2 3.83Å; S754-T757 PolarHBondContact N-OG1 3.45Å; S754-T757 VanDerWaalsContact O-CB 3.25Å; S754-T757 WeakPolarHBondContact O-CB 3.21Å; S754-T757 PolarHBondContact O-N 2.94Å; S754-T757 PolarHBondContact O-OG1 2.9Å; S754-T757 PolarHBondContact OG-OG1 2.85Å; A755-T757 VanDerWaalsContact C-N 3.26Å; A755-T757 PolarHBondContact O-N 3.19Å; T757-R759 PolarHBondContact O-N 2.93Å
758	I	94.6	Very high	92.2	Very high	33 Å²	33	42.2 Å²	42.2	17%	0.169	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-86.5	97.9	175.6	-55.8	178.5	0	0	0	108.5	T648 G649 K650 I676 H677 I679 A755 E756	T648-I758 HydrophobicContact CG2-CG1 4.09Å; T648-I758 CarbonylContact O-C 3.33Å; G649-I758 WeakPolarHBondContact O-CG2 3.26Å; K650-I758 HydrophobicContact CB-CG2 4.12Å; K650-I758 HydrophobicContact CG-CG2 4.42Å; I676-I758 HydrophobicContact CG2-CD1 3.66Å; I676-I758 HydrophobicContact CG2-CG1 4.34Å; H677-I758 WeakPolarHBondContact O-CD1 3.11Å; I679-I758 HydrophobicContact CG1-CD1 4.34Å; A755-I758 PolarHBondContact O-N 2.77Å; E756-I758 VanDerWaalsContact C-N 3.25Å
759	R	93.8	Very high	91.6	Very high	70 Å²	70	45.1 Å²	45.1	26%	0.264	24%	0.239	S	C	.	.			trans	-105.7	63.8	-177.2	-65.6	-60	-57.7	-83.8	2.9	111.2	I647 T648 E756 T757 D761 L762 L763	I647-R759 HydrophobicContact CB-CG 4.26Å; I647-R759 HydrophobicContact CD1-CB 4.37Å; I647-R759 HydrophobicContact CD1-CG 4.41Å; I647-R759 HydrophobicContact CG2-CG 4.11Å; T648-R759 PolarHBondContact O-N 3.5Å; E756-R759 VanDerWaalsContact O-CD 3.3Å; E756-R759 WeakPolarHBondContact O-CD 3.46Å; T757-R759 PolarHBondContact O-N 2.93Å; R759-D761 WeakPolarHBondContact CA-OD1 3.13Å; R759-D761 IonicContact CZ-OD1 3.73Å; R759-D761 IonicContact CZ-OD2 2.74Å; R759-D761 IonicContact NE-OD1 2.67Å; R759-D761 PolarHBondContact NE-OD1 2.96Å; R759-D761 IonicContact NE-OD2 3.6Å; R759-D761 PolarHBondContact NE-OD2 2.78Å; R759-D761 IonicContact NH2-OD1 3.7Å; R759-D761 IonicContact NH2-OD2 3.59Å; R759-D761 PolarHBondContact NH2-OD2 2.83Å; R759-D761 PolarHBondContact O-N 3.22Å; R759-D761 VanDerWaalsContact O-N 3.08Å; R759-L762 HydrophobicContact CB-CB 4.14Å; R759-L762 HydrophobicContact CB-CD1 4.31Å; R759-L762 HydrophobicContact CB-CG 4.31Å; R759-L762 HydrophobicContact CG-CD1 4.5Å; R759-L762 VanDerWaalsContact CZ-CD1 3.41Å; R759-L762 VanDerWaalsContact NH2-CD1 3.35Å; R759-L762 PolarHBondContact O-N 3.44Å; R759-L763 PolarHBondContact O-N 2.9Å
760	G	90.6	Very high	91.2	Very high	21 Å²	21	45.9 Å²	45.9	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.3	174.1	0	0	0	0	0	114.4	L763	G760-L763 CarbonylContact C-O 3.45Å; G760-L763 WeakPolarHBondContact CA-O 3.44Å
761	D	91.6	Very high	91	Very high	66 Å²	66	47 Å²	47	35%	0.353	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.1	168.9	64.7	-52	0	0	0	113.1	R759 V765 H776	R759-D761 WeakPolarHBondContact CA-OD1 3.13Å; R759-D761 IonicContact CZ-OD1 3.73Å; R759-D761 IonicContact CZ-OD2 2.74Å; R759-D761 IonicContact NE-OD1 2.67Å; R759-D761 PolarHBondContact NE-OD1 2.96Å; R759-D761 IonicContact NE-OD2 3.6Å; R759-D761 PolarHBondContact NE-OD2 2.78Å; R759-D761 IonicContact NH2-OD1 3.7Å; R759-D761 IonicContact NH2-OD2 3.59Å; R759-D761 PolarHBondContact NH2-OD2 2.83Å; R759-D761 PolarHBondContact O-N 3.22Å; R759-D761 VanDerWaalsContact O-N 3.08Å; D761-V765 WeakPolarHBondContact O-CG2 3.35Å; D761-H776 PolarHBondContact O-ND1 3.19Å
762	L	93.3	Very high	91	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.084	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-42.3	178.7	-63.1	-176	0	0	0	112.9	Y640 I647 R759 N775 L777 H778	Y640-L762 HydrophobicContact CE2-CD1 4.15Å; I647-L762 HydrophobicContact CD1-CD1 4.43Å; R759-L762 HydrophobicContact CB-CB 4.14Å; R759-L762 HydrophobicContact CB-CD1 4.31Å; R759-L762 HydrophobicContact CB-CG 4.31Å; R759-L762 HydrophobicContact CG-CD1 4.5Å; R759-L762 VanDerWaalsContact CZ-CD1 3.41Å; R759-L762 VanDerWaalsContact NH2-CD1 3.35Å; R759-L762 PolarHBondContact O-N 3.44Å; L762-N775 WeakPolarHBondContact CD2-O 3.4Å; L762-L777 HydrophobicContact CB-CD1 4.09Å; L762-L777 HydrophobicContact CB-CG 4.11Å; L762-L777 HydrophobicContact CD1-CD1 4.16Å; L762-L777 HydrophobicContact CD2-CG 4.4Å; L762-L777 WeakPolarHBondContact O-CA 3.35Å; L762-L777 WeakPolarHBondContact O-CB 3.43Å; L762-L777 PolarHBondContact O-N 3.49Å; L762-H778 PolarHBondContact O-N 3.01Å
763	L	94.9	Very high	91	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-114.4	150.7	-177.4	-58.5	-179	0	0	0	110.2	L625 I647 T682 F684 R759 G760 V765 L777 H778	L625-L763 HydrophobicContact CD1-CD2 4.09Å; I647-L763 HydrophobicContact CD1-CD1 3.88Å; I647-L763 HydrophobicContact CD1-CG 4.26Å; I647-L763 HydrophobicContact CG1-CD1 3.82Å; T682-L763 HydrophobicContact CG2-CB 4.35Å; T682-L763 HydrophobicContact CG2-CD1 4.39Å; T682-L763 HydrophobicContact CG2-CD2 4.28Å; F684-L763 HydrophobicContact CB-CD1 3.86Å; R759-L763 PolarHBondContact O-N 2.9Å; G760-L763 CarbonylContact C-O 3.45Å; G760-L763 WeakPolarHBondContact CA-O 3.44Å; L763-V765 PolarHBondContact O-N 3.47Å; L763-L777 HydrophobicContact CD2-CB 4.14Å; L763-L777 HydrophobicContact CD2-CD1 4.41Å; L763-H778 HydrophobicContact CD2-CB 3.72Å
764	D	92.1	Very high	90.5	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.053	24%	0.237	C	C	.	.	S	Bend	trans	50.3	35	-173.9	-59.2	-33.2	0	0	0	114.3	G649 T682 D766 H778 H780	G649-D764 VanDerWaalsContact CA-OD2 3.32Å; G649-D764 WeakPolarHBondContact CA-OD2 3.39Å; T682-D764 WeakPolarHBondContact CB-OD1 3.06Å; T682-D764 WeakPolarHBondContact CB-OD2 2.81Å; T682-D764 PolarHBondContact N-OD2 3.49Å; T682-D764 PolarHBondContact OG1-OD1 3.32Å; D764-D766 PolarHBondContact O-N 3.43Å; D764-H778 PolarHBondContact N-ND1 2.65Å; D764-H778 IonicContact OD1-CE1 3.31Å; D764-H778 PolarHBondContact OD1-CE1 3.19Å; D764-H778 IonicContact OD1-ND1 3.74Å; D764-H780 HydrophobicContact CB-CB 4.35Å
765	V	92.3	Very high	90.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.8	177.9	-180	0	0	0	0	108.7	D761 L763 S767 R769 H776 H778 I779 H780 V824	D761-V765 WeakPolarHBondContact O-CG2 3.35Å; L763-V765 PolarHBondContact O-N 3.47Å; V765-S767 PolarHBondContact O-N 3.24Å; V765-R769 HydrophobicContact CG1-CB 4.38Å; V765-H776 HydrophobicContact CB-CB 4.49Å; V765-H776 HydrophobicContact CG2-CB 4.02Å; V765-H778 PolarHBondContact N-O 3.39Å; V765-H778 VanDerWaalsContact N-O 3.16Å; V765-I779 HydrophobicContact CB-CD1 3.74Å; V765-I779 HydrophobicContact CG1-CD1 3.99Å; V765-I779 CarbonylContact O-C 3.21Å; V765-I779 VanDerWaalsContact O-CA 3.24Å; V765-I779 WeakPolarHBondContact O-CA 3.25Å; V765-I779 WeakPolarHBondContact O-CG2 3.28Å; V765-H780 PolarHBondContact O-N 3.12Å; V765-V824 HydrophobicContact CG1-CG2 4.46Å
766	D	89.7	Confident	90.4	Very high	45 Å²	45	41.1 Å²	41.1	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.9	-179.8	173.3	-90.1	0	0	0	112.7	D764 C768 R769 W782	D764-D766 PolarHBondContact O-N 3.43Å; D766-C768 PolarHBondContact O-N 3Å; D766-C768 VanDerWaalsContact O-N 3.12Å; D766-C768 VanDerWaalsContact OD1-CA 3.26Å; D766-C768 WeakPolarHBondContact OD1-CA 3.16Å; D766-C768 WeakPolarHBondContact OD1-CB 3.24Å; D766-C768 PolarHBondContact OD1-N 3.16Å; D766-R769 VanDerWaalsContact O-CB 3.32Å; D766-R769 WeakPolarHBondContact O-CB 3.26Å; D766-R769 PolarHBondContact O-N 3.03Å; D766-R769 VanDerWaalsContact O-N 3.15Å; D766-R769 PolarHBondContact OD1-N 3.25Å; D766-W782 WeakPolarHBondContact OD2-CB 3.5Å
767	S	89.3	Confident	90.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.6	-178.3	57.6	0	0	0	0	114.7	V765 H780 R825	V765-S767 PolarHBondContact O-N 3.24Å; S767-H780 PolarHBondContact N-O 2.72Å; S767-R825 WeakPolarHBondContact O-CA 3.19Å
768	C	86.3	Confident	90.6	Very high	30 Å²	30	34.9 Å²	34.9	20%	0.203	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.8	179.1	-45.7	0	0	0	0	112.8	D766 C786	D766-C768 PolarHBondContact O-N 3Å; D766-C768 VanDerWaalsContact O-N 3.12Å; D766-C768 VanDerWaalsContact OD1-CA 3.26Å; D766-C768 WeakPolarHBondContact OD1-CA 3.16Å; D766-C768 WeakPolarHBondContact OD1-CB 3.24Å; D766-C768 PolarHBondContact OD1-N 3.16Å; C768-C786 HydrophobicContact CB-CB 3.35Å; C768-C786 WeakPolarHBondContact CB-SG 3.38Å; C768-C786 WeakPolarHBondContact SG-CB 3.07Å; C768-C786 CovalentContact SG-SG 2.02Å; C768-C786 PolarHBondContact SG-SG 2.87Å
769	R	87.6	Confident	90.6	Very high	116 Å²	116	33.3 Å²	33.3	44%	0.438	19%	0.186	S	C	.	.			trans	-65	142.6	-174.3	-150.4	166.4	177.5	143.1	-4.1	112.2	V765 D766 S771 V824 R825	V765-R769 HydrophobicContact CG1-CB 4.38Å; D766-R769 VanDerWaalsContact O-CB 3.32Å; D766-R769 WeakPolarHBondContact O-CB 3.26Å; D766-R769 PolarHBondContact O-N 3.03Å; D766-R769 VanDerWaalsContact O-N 3.15Å; D766-R769 PolarHBondContact OD1-N 3.25Å; R769-S771 VanDerWaalsContact CD-OG 3.29Å; R769-S771 WeakPolarHBondContact CD-OG 3.12Å; R769-S771 VanDerWaalsContact CG-OG 3.25Å; R769-S771 WeakPolarHBondContact CG-OG 3.35Å; R769-S771 PolarHBondContact NE-OG 3.37Å; R769-V824 HydrophobicContact CB-CB 4.22Å; R769-V824 HydrophobicContact CB-CG2 4.42Å; R769-V824 WeakPolarHBondContact O-CB 3.36Å; R769-R825 PolarHBondContact O-N 3.41Å
770	S	87.5	Confident	90.6	Very high	90 Å²	90	31.1 Å²	31.1	63%	0.629	18%	0.179	S	C	*	.			trans	-89.3	-7.9	178.8	55.1	0	0	0	0	113.7	S823	S770-S823 WeakPolarHBondContact O-CB 3.38Å
771	S	91.1	Very high	90.5	Very high	31 Å²	31	30.2 Å²	30.2	22%	0.217	17%	0.168	C	C	.	.	S	Bend	trans	-67.7	157.8	175.9	46.3	0	0	0	0	111.6	R769 H776 S823 V824	R769-S771 VanDerWaalsContact CD-OG 3.29Å; R769-S771 WeakPolarHBondContact CD-OG 3.12Å; R769-S771 VanDerWaalsContact CG-OG 3.25Å; R769-S771 WeakPolarHBondContact CG-OG 3.35Å; R769-S771 PolarHBondContact NE-OG 3.37Å; S771-H776 WeakPolarHBondContact CB-NE2 3.46Å; S771-H776 PolarHBondContact OG-CE1 3.38Å; S771-H776 PolarHBondContact OG-NE2 2.86Å; S771-S823 CarbonylContact O-C 3.56Å; S771-S823 VanDerWaalsContact O-CA 3.29Å; S771-S823 WeakPolarHBondContact O-CA 3.1Å; S771-V824 WeakPolarHBondContact O-CG2 3.36Å; S771-V824 PolarHBondContact O-N 3.12Å
772	V	89.5	Confident	89.8	Confident	48 Å²	48	31.7 Å²	31.7	29%	0.291	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-71.9	135.9	-176.5	-176.2	0	0	0	0	110.8	S774 N775 H776 N820 M822	V772-S774 WeakPolarHBondContact CG1-OG 3.29Å; V772-S774 PolarHBondContact O-N 3.31Å; V772-S774 VanDerWaalsContact O-N 3.16Å; V772-N775 WeakPolarHBondContact O-CB 3.49Å; V772-N775 PolarHBondContact O-N 2.67Å; V772-H776 PolarHBondContact O-CD2 3.13Å; V772-H776 VanDerWaalsContact O-CD2 3.27Å; V772-N820 WeakPolarHBondContact CG1-O 3.36Å; V772-M822 WeakPolarHBondContact CA-O 3.34Å
773	I	88.6	Confident	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.2	-176	-170.7	60.5	0	0	0	113.2	N775 H776 I779 V819 M822 V824 Y827	I773-N775 PolarHBondContact O-N 2.57Å; I773-N775 VanDerWaalsContact O-N 3.08Å; I773-H776 PolarHBondContact O-N 3.48Å; I773-H776 VanDerWaalsContact O-N 3.11Å; I773-I779 HydrophobicContact CD1-CD1 3.72Å; I773-I779 HydrophobicContact CD1-CG1 3.65Å; I773-V819 WeakPolarHBondContact CG2-O 3.4Å; I773-M822 PolarHBondContact N-O 3.1Å; I773-V824 HydrophobicContact CD1-CG2 4.12Å; I773-Y827 HydrophobicContact CB-CG 4.28Å; I773-Y827 HydrophobicContact CD1-CD1 3.42Å; I773-Y827 VanDerWaalsContact CD1-CD1 3.42Å; I773-Y827 HydrophobicContact CD1-CE1 3.87Å; I773-Y827 HydrophobicContact CD1-CG 3.94Å; I773-Y827 HydrophobicContact CG1-CD1 3.62Å; I773-Y827 HydrophobicContact CG1-CD2 4.14Å; I773-Y827 HydrophobicContact CG1-CE1 4.01Å; I773-Y827 HydrophobicContact CG1-CE2 4.48Å; I773-Y827 HydrophobicContact CG1-CG 3.67Å
774	S	83.3	Confident	87.2	Confident	46 Å²	46	40.1 Å²	40.1	32%	0.322	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.3	-10.8	178.3	66.1	0	0	0	0	114.7	T636 V772 N820	T636-S774 VanDerWaalsContact OG1-C 3.27Å; T636-S774 WeakPolarHBondContact OG1-CA 3.26Å; T636-S774 PolarHBondContact OG1-O 3.38Å; V772-S774 WeakPolarHBondContact CG1-OG 3.29Å; V772-S774 PolarHBondContact O-N 3.31Å; V772-S774 VanDerWaalsContact O-N 3.16Å; S774-N820 WeakPolarHBondContact CB-O 3.35Å; S774-N820 PolarHBondContact OG-O 3.21Å
775	N	88	Confident	85.8	Confident	97 Å²	97	51.9 Å²	51.9	52%	0.519	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-92.4	-5.4	178.3	-64.4	-15.1	0	0	0	112.9	L762 V772 I773	L762-N775 WeakPolarHBondContact CD2-O 3.4Å; V772-N775 WeakPolarHBondContact O-CB 3.49Å; V772-N775 PolarHBondContact O-N 2.67Å; I773-N775 PolarHBondContact O-N 2.57Å; I773-N775 VanDerWaalsContact O-N 3.08Å
776	H	92.6	Very high	84.8	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.037	27%	0.268	C	S	.	.			trans	-120.8	160.5	-173.3	-54.2	-55.1	0	0	0	109.5	S634 T636 D761 V765 S771 V772 I773 I779 V824	S634-H776 PolarHBondContact OG-O 2.81Å; T636-H776 WeakPolarHBondContact CB-O 3.32Å; T636-H776 PolarHBondContact OG1-O 3.01Å; D761-H776 PolarHBondContact O-ND1 3.19Å; V765-H776 HydrophobicContact CB-CB 4.49Å; V765-H776 HydrophobicContact CG2-CB 4.02Å; S771-H776 WeakPolarHBondContact CB-NE2 3.46Å; S771-H776 PolarHBondContact OG-CE1 3.38Å; S771-H776 PolarHBondContact OG-NE2 2.86Å; V772-H776 PolarHBondContact O-CD2 3.13Å; V772-H776 VanDerWaalsContact O-CD2 3.27Å; I773-H776 PolarHBondContact O-N 3.48Å; I773-H776 VanDerWaalsContact O-N 3.11Å; H776-I779 HydrophobicContact CB-CD1 3.72Å; H776-V824 WeakPolarHBondContact CD2-CG2 3.47Å
777	L	90.9	Very high	83.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	-103.9	-39.6	173.6	-61.6	179.3	0	0	0	111.3	S634 T636 Y640 L762 L763	S634-L777 WeakPolarHBondContact CB-O 3.39Å; S634-L777 PolarHBondContact N-O 3.21Å; S634-L777 WeakPolarHBondContact OG-CA 3.28Å; S634-L777 PolarHBondContact OG-O 2.8Å; T636-L777 HydrophobicContact CG2-CD2 3.69Å; Y640-L777 HydrophobicContact CD1-CD1 3.62Å; Y640-L777 HydrophobicContact CD1-CD2 4.3Å; Y640-L777 HydrophobicContact CD2-CD1 3.76Å; Y640-L777 HydrophobicContact CD2-CD2 3.71Å; Y640-L777 HydrophobicContact CD2-CG 4.29Å; Y640-L777 HydrophobicContact CE1-CD1 3.57Å; Y640-L777 HydrophobicContact CE2-CD1 3.74Å; Y640-L777 HydrophobicContact CE2-CD2 4.44Å; Y640-L777 HydrophobicContact CG-CD1 3.71Å; Y640-L777 HydrophobicContact CG-CD2 3.63Å; Y640-L777 HydrophobicContact CG-CG 4.33Å; L762-L777 HydrophobicContact CB-CD1 4.09Å; L762-L777 HydrophobicContact CB-CG 4.11Å; L762-L777 HydrophobicContact CD1-CD1 4.16Å; L762-L777 HydrophobicContact CD2-CG 4.4Å; L762-L777 WeakPolarHBondContact O-CA 3.35Å; L762-L777 WeakPolarHBondContact O-CB 3.43Å; L762-L777 PolarHBondContact O-N 3.49Å; L763-L777 HydrophobicContact CD2-CB 4.14Å; L763-L777 HydrophobicContact CD2-CD1 4.41Å
778	H	95.8	Very high	83.3	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	128.2	-166	170.3	-78.8	0	0	0	110.5	T627 V631 T682 L762 L763 D764 V765	T627-H778 PolarHBondContact OG1-CE1 3.13Å; T627-H778 PolarHBondContact OG1-NE2 3.04Å; V631-H778 WeakPolarHBondContact CB-NE2 3.45Å; V631-H778 WeakPolarHBondContact CG1-NE2 3.21Å; T682-H778 PolarHBondContact OG1-CE1 2.97Å; T682-H778 VanDerWaalsContact OG1-CE1 3.25Å; L762-H778 PolarHBondContact O-N 3.01Å; L763-H778 HydrophobicContact CD2-CB 3.72Å; D764-H778 PolarHBondContact N-ND1 2.65Å; D764-H778 IonicContact OD1-CE1 3.31Å; D764-H778 PolarHBondContact OD1-CE1 3.19Å; D764-H778 IonicContact OD1-ND1 3.74Å; V765-H778 PolarHBondContact N-O 3.39Å; V765-H778 VanDerWaalsContact N-O 3.16Å
779	I	94.6	Very high	83	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.5	-177.7	-46.8	-53.7	0	0	0	109	V631 F632 V765 I773 H776 V824	V631-I779 CarbonylContact C-O 3.55Å; V631-I779 WeakPolarHBondContact CA-O 3.45Å; V631-I779 VanDerWaalsContact CB-O 3.29Å; V631-I779 WeakPolarHBondContact CB-O 3.2Å; F632-I779 HydrophobicContact CB-CB 4.19Å; F632-I779 PolarHBondContact N-O 3.35Å; F632-I779 PolarHBondContact O-N 3.29Å; V765-I779 HydrophobicContact CB-CD1 3.74Å; V765-I779 HydrophobicContact CG1-CD1 3.99Å; V765-I779 CarbonylContact O-C 3.21Å; V765-I779 VanDerWaalsContact O-CA 3.24Å; V765-I779 WeakPolarHBondContact O-CA 3.25Å; V765-I779 WeakPolarHBondContact O-CG2 3.28Å; I773-I779 HydrophobicContact CD1-CD1 3.72Å; I773-I779 HydrophobicContact CD1-CG1 3.65Å; H776-I779 HydrophobicContact CB-CD1 3.72Å; I779-V824 HydrophobicContact CB-CG1 4.37Å; I779-V824 HydrophobicContact CD1-CG1 3.78Å; I779-V824 HydrophobicContact CD1-CG2 3.9Å; I779-V824 HydrophobicContact CG1-CG1 3.97Å; I779-V824 HydrophobicContact CG2-CG1 3.47Å; I779-V824 VanDerWaalsContact CG2-CG1 3.47Å
780	H	92.1	Very high	82.9	Confident	25 Å²	25	53 Å²	53	12%	0.116	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.3	176.1	-169.4	-76.7	0	0	0	110.1	D628 D630 D764 V765 S767 W782	D628-H780 IonicContact OD2-CD2 3.4Å; D628-H780 IonicContact OD2-NE2 3.64Å; D628-H780 PolarHBondContact OD2-NE2 3.11Å; D630-H780 IonicContact OD1-CE1 2.7Å; D630-H780 IonicContact OD1-NE2 3.78Å; D630-H780 PolarHBondContact OD1-NE2 2.93Å; D630-H780 IonicContact OD2-CE1 3.46Å; D764-H780 HydrophobicContact CB-CB 4.35Å; V765-H780 PolarHBondContact O-N 3.12Å; S767-H780 PolarHBondContact N-O 2.72Å; H780-W782 AromaticContact CG-CD1 3.96Å; H780-W782 AromaticContact CG-NE1 3.94Å; H780-W782 AromaticContact ND1-CD1 3.33Å; H780-W782 VanDerWaalsContact ND1-CD1 3.33Å; H780-W782 AromaticContact ND1-NE1 3.64Å; H780-W782 PolarHBondContact O-N 3.14Å
781	T	89.3	Confident	82.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.271	C	S	.	.			trans	-95.5	82	-176.6	58.3	0	0	0	0	111.9	F527 D630 F632 F788 K790	F527-T781 HydrophobicContact CD2-CG2 4.44Å; D630-T781 VanDerWaalsContact CB-OG1 3.29Å; D630-T781 WeakPolarHBondContact CB-OG1 3.24Å; D630-T781 WeakPolarHBondContact O-CB 3.45Å; D630-T781 WeakPolarHBondContact O-CG2 3.09Å; D630-T781 PolarHBondContact O-N 3.08Å; D630-T781 PolarHBondContact O-OG1 2.85Å; F632-T781 HydrophobicContact CD2-CG2 3.91Å; F632-T781 HydrophobicContact CE2-CG2 3.5Å; F632-T781 VanDerWaalsContact CE2-CG2 3.5Å; T781-F788 HydrophobicContact CG2-CD1 4.35Å; T781-F788 HydrophobicContact CG2-CE1 3.72Å; T781-K790 WeakPolarHBondContact OG1-CD 3.21Å
782	W	76.6	Confident	82.2	Confident	97 Å²	97	53.8 Å²	53.8	37%	0.367	28%	0.275	S	S	.	.			trans	-65.7	156.6	-176.3	-68.9	47.1	0	0	0	111.5	A652 D766 H780 A784	A652-W782 HydrophobicContact CB-CH2 3.56Å; A652-W782 HydrophobicContact CB-CZ3 3.88Å; D766-W782 WeakPolarHBondContact OD2-CB 3.5Å; H780-W782 AromaticContact CG-CD1 3.96Å; H780-W782 AromaticContact CG-NE1 3.94Å; H780-W782 AromaticContact ND1-CD1 3.33Å; H780-W782 VanDerWaalsContact ND1-CD1 3.33Å; H780-W782 AromaticContact ND1-NE1 3.64Å; H780-W782 PolarHBondContact O-N 3.14Å; W782-A784 PolarHBondContact O-N 3.06Å
783	H	70.4	Confident	81.8	Confident	149 Å²	149	51.9 Å²	51.9	69%	0.69	26%	0.263	S	S	*	.	S	Bend	trans	-73.9	66.4	176.7	-62.2	176.2	0	0	0	111.5	F791	H783-F791 HydrophobicContact CB-CE2 4.34Å; H783-F791 AromaticContact CD2-CE2 3.79Å; H783-F791 AromaticContact CD2-CZ 3.63Å; H783-F791 AromaticContact NE2-CZ 3.7Å
784	A	63.9	Low	81.5	Confident	45 Å²	45	52.2 Å²	52.2	37%	0.372	27%	0.265	S	S	.	.			trans	-124.2	147.2	179.4	0	0	0	0	0	111.4	W782 C786	W782-A784 PolarHBondContact O-N 3.06Å; A784-C786 PolarHBondContact O-N 3.07Å
785	R	62.7	Low	81.3	Confident	257 Å²	257	53.5 Å²	53.5	97%	0.97	27%	0.268	S	S	*	.			trans	-78.4	103.1	168.9	-71.8	-175.2	-176.2	171.2	2.4	108.9
786	C	71.1	Confident	80.6	Confident	28 Å²	28	50.6 Å²	50.6	19%	0.189	25%	0.251	C	S	.	.	S	Bend	trans	-145.5	177.2	175.2	75.4	0	0	0	0	111.3	C768 A784 F788 D789	C768-C786 HydrophobicContact CB-CB 3.35Å; C768-C786 WeakPolarHBondContact CB-SG 3.38Å; C768-C786 WeakPolarHBondContact SG-CB 3.07Å; C768-C786 CovalentContact SG-SG 2.02Å; C768-C786 PolarHBondContact SG-SG 2.87Å; A784-C786 PolarHBondContact O-N 3.07Å; C786-F788 CarbonylContact O-C 3.56Å; C786-F788 PolarHBondContact O-N 2.9Å; C786-F788 VanDerWaalsContact O-N 3.16Å; C786-F788 PolarHBondContact SG-O 3.3Å; C786-F788 VanDerWaalsContact SG-O 3.35Å; C786-D789 PolarHBondContact O-N 2.67Å
787	P	67.9	Low	79.6	Confident	98 Å²	98	50.7 Å²	50.7	64%	0.636	25%	0.252	S	S	*	.	S	Bend	trans	-56.5	-33.4	-173.9	-28.1	36.4	0	0	0	114.3
788	F	78.7	Confident	78.6	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.035	26%	0.261	C	S	.	.	S	Bend	trans	-94.3	93.6	165.2	-177.8	-103	0	0	0	109.4	F527 F632 T781 C786 K790 C828 A832	F527-F788 HydrophobicContact CD1-CZ 4.19Å; F527-F788 HydrophobicContact CE1-CE1 4.48Å; F527-F788 HydrophobicContact CE1-CE2 4.35Å; F527-F788 AromaticContact CE1-CZ 3.55Å; F527-F788 HydrophobicContact CE1-CZ 3.55Å; F527-F788 HydrophobicContact CE2-CZ 4.46Å; F527-F788 HydrophobicContact CZ-CE1 4.34Å; F527-F788 AromaticContact CZ-CZ 3.71Å; F527-F788 HydrophobicContact CZ-CZ 3.71Å; F632-F788 HydrophobicContact CE2-CD1 4.45Å; F632-F788 AromaticContact CE2-CE1 3.73Å; F632-F788 HydrophobicContact CE2-CE1 3.73Å; F632-F788 AromaticContact CE2-CZ 3.9Å; F632-F788 HydrophobicContact CE2-CZ 3.9Å; F632-F788 AromaticContact CZ-CE1 3.96Å; F632-F788 HydrophobicContact CZ-CE1 3.96Å; F632-F788 HydrophobicContact CZ-CE2 4.22Å; F632-F788 AromaticContact CZ-CZ 3.62Å; F632-F788 HydrophobicContact CZ-CZ 3.62Å; T781-F788 HydrophobicContact CG2-CD1 4.35Å; T781-F788 HydrophobicContact CG2-CE1 3.72Å; C786-F788 CarbonylContact O-C 3.56Å; C786-F788 PolarHBondContact O-N 2.9Å; C786-F788 VanDerWaalsContact O-N 3.16Å; C786-F788 PolarHBondContact SG-O 3.3Å; C786-F788 VanDerWaalsContact SG-O 3.35Å; F788-K790 HydrophobicContact CE1-CB 4.45Å; F788-C828 HydrophobicContact CB-CB 4.24Å; F788-C828 HydrophobicContact CD1-CB 3.92Å; F788-C828 HydrophobicContact CD2-CB 4.17Å; F788-C828 HydrophobicContact CE1-CB 4.38Å; F788-C828 HydrophobicContact CG-CB 3.8Å; F788-A832 HydrophobicContact CE2-CB 3.55Å; F788-A832 HydrophobicContact CZ-CB 4.04Å
789	D	80.8	Confident	77	Confident	69 Å²	69	59 Å²	59	37%	0.369	29%	0.293	S	S	.	.			trans	-89.4	106.5	173.3	177	7	0	0	0	109.4	C786 F791 G792 F793	C786-D789 PolarHBondContact O-N 2.67Å; D789-F791 VanDerWaalsContact C-N 3.28Å; D789-F791 PolarHBondContact O-N 3.24Å; D789-F791 PolarHBondContact OD1-N 2.64Å; D789-G792 PolarHBondContact O-N 3.42Å; D789-G792 PolarHBondContact OD1-N 3.41Å; D789-G792 WeakPolarHBondContact OD2-CA 3.4Å; D789-G792 PolarHBondContact OD2-N 3.18Å; D789-G792 VanDerWaalsContact OD2-N 3.13Å; D789-F793 PolarHBondContact O-N 3.48Å
790	K	85	Confident	74.7	Confident	13 Å²	13	60.2 Å²	60.2	6%	0.057	31%	0.306	C	S	.	.	H	α-helix	trans	-53.4	-48	175.1	171.2	170	81.7	163	0	111.1	E523 F527 D630 T781 F788 F793 L794	E523-K790 WeakPolarHBondContact OE1-CD 3.48Å; E523-K790 IonicContact OE1-NZ 2.85Å; E523-K790 PolarHBondContact OE1-NZ 3.49Å; F527-K790 HydrophobicContact CE2-CD 3.94Å; F527-K790 HydrophobicContact CE2-CG 3.89Å; F527-K790 HydrophobicContact CZ-CG 4.19Å; D630-K790 HydrophobicContact CB-CD 4.13Å; D630-K790 IonicContact OD2-NZ 3.77Å; D630-K790 PolarHBondContact OD2-NZ 3.15Å; T781-K790 WeakPolarHBondContact OG1-CD 3.21Å; F788-K790 HydrophobicContact CE1-CB 4.45Å; K790-F793 PolarHBondContact O-N 2.97Å; K790-L794 HydrophobicContact CD-CD1 4.14Å; K790-L794 HydrophobicContact CG-CD1 3.7Å; K790-L794 HydrophobicContact CG-CG 4.14Å; K790-L794 WeakPolarHBondContact O-CB 3.49Å; K790-L794 VanDerWaalsContact O-CG 3.3Å; K790-L794 WeakPolarHBondContact O-CG 3.49Å; K790-L794 PolarHBondContact O-N 3.43Å
791	F	83.4	Confident	72.5	Confident	109 Å²	109	62.5 Å²	62.5	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-70.2	-36.9	-175.9	-63.5	-69	0	0	0	110.9	H783 D789 N795	H783-F791 HydrophobicContact CB-CE2 4.34Å; H783-F791 AromaticContact CD2-CE2 3.79Å; H783-F791 AromaticContact CD2-CZ 3.63Å; H783-F791 AromaticContact NE2-CZ 3.7Å; D789-F791 VanDerWaalsContact C-N 3.28Å; D789-F791 PolarHBondContact O-N 3.24Å; D789-F791 PolarHBondContact OD1-N 2.64Å; F791-N795 WeakPolarHBondContact O-CB 3.46Å; F791-N795 PolarHBondContact O-N 2.93Å
792	G	80.3	Confident	70.4	Confident	30 Å²	30	65.1 Å²	65.1	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-44.3	171.3	0	0	0	0	0	112.9	D789 Q796	D789-G792 PolarHBondContact O-N 3.42Å; D789-G792 PolarHBondContact OD1-N 3.41Å; D789-G792 WeakPolarHBondContact OD2-CA 3.4Å; D789-G792 PolarHBondContact OD2-N 3.18Å; D789-G792 VanDerWaalsContact OD2-N 3.13Å; G792-Q796 PolarHBondContact O-N 3.37Å
793	F	83.1	Confident	68.8	Low	7 Å²	7	67.8 Å²	67.8	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-49.6	175.2	175.7	-92.7	0	0	0	112.1	A526 F527 D789 K790 N795 Q796 V797 A832 L836	A526-F793 HydrophobicContact CB-CE1 3.42Å; A526-F793 VanDerWaalsContact CB-CE1 3.42Å; A526-F793 HydrophobicContact CB-CZ 3.52Å; F527-F793 AromaticContact CE1-CD1 3.47Å; F527-F793 HydrophobicContact CE1-CD1 3.47Å; F527-F793 VanDerWaalsContact CE1-CD1 3.47Å; F527-F793 AromaticContact CE1-CE1 3.58Å; F527-F793 HydrophobicContact CE1-CE1 3.58Å; F527-F793 HydrophobicContact CE1-CG 4.23Å; F527-F793 HydrophobicContact CE1-CZ 4.41Å; F527-F793 AromaticContact CZ-CD1 3.61Å; F527-F793 HydrophobicContact CZ-CD1 3.61Å; F527-F793 HydrophobicContact CZ-CE1 4.08Å; F527-F793 HydrophobicContact CZ-CG 4.43Å; D789-F793 PolarHBondContact O-N 3.48Å; K790-F793 PolarHBondContact O-N 2.97Å; F793-N795 VanDerWaalsContact C-N 3.3Å; F793-N795 PolarHBondContact O-N 3.48Å; F793-Q796 VanDerWaalsContact O-CB 3.31Å; F793-Q796 WeakPolarHBondContact O-CB 3.48Å; F793-Q796 PolarHBondContact O-N 3.47Å; F793-Q796 VanDerWaalsContact O-N 3.08Å; F793-V797 HydrophobicContact CD1-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 3.88Å; F793-V797 HydrophobicContact CE2-CG2 4.16Å; F793-V797 HydrophobicContact CZ-CG2 3.75Å; F793-V797 WeakPolarHBondContact O-CG2 3.37Å; F793-V797 PolarHBondContact O-N 2.96Å; F793-V797 VanDerWaalsContact O-N 3.09Å; F793-A832 HydrophobicContact CD2-CB 4.05Å; F793-A832 HydrophobicContact CE1-CB 4.47Å; F793-A832 HydrophobicContact CE2-CB 3.83Å; F793-A832 WeakPolarHBondContact CE2-O 3.34Å; F793-A832 HydrophobicContact CG-CB 4.45Å; F793-A832 HydrophobicContact CZ-CB 4.05Å; F793-A832 WeakPolarHBondContact CZ-O 3.49Å; F793-L836 HydrophobicContact CE2-CD1 4.15Å; F793-L836 HydrophobicContact CE2-CD2 4.07Å; F793-L836 HydrophobicContact CE2-CG 4.11Å; F793-L836 HydrophobicContact CZ-CD2 3.96Å; F793-L836 HydrophobicContact CZ-CG 4.39Å
794	L	81.2	Confident	67.9	Low	8 Å²	8	68.3 Å²	68.3	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-44.8	178.1	-70.6	176.8	0	0	0	110	E519 A522 E523 F527 K790 Q796 V797 T798	E519-L794 HydrophobicContact CB-CD1 4.47Å; A522-L794 HydrophobicContact CB-CD2 3.7Å; E523-L794 HydrophobicContact CG-CD1 4Å; E523-L794 HydrophobicContact CG-CD2 4.01Å; F527-L794 HydrophobicContact CZ-CD2 4.47Å; K790-L794 HydrophobicContact CD-CD1 4.14Å; K790-L794 HydrophobicContact CG-CD1 3.7Å; K790-L794 HydrophobicContact CG-CG 4.14Å; K790-L794 WeakPolarHBondContact O-CB 3.49Å; K790-L794 VanDerWaalsContact O-CG 3.3Å; K790-L794 WeakPolarHBondContact O-CG 3.49Å; K790-L794 PolarHBondContact O-N 3.43Å; L794-Q796 VanDerWaalsContact C-N 3.3Å; L794-Q796 PolarHBondContact O-N 3.34Å; L794-V797 CarbonylContact O-C 3.57Å; L794-V797 PolarHBondContact O-N 3.33Å; L794-T798 WeakPolarHBondContact O-CB 3.14Å; L794-T798 WeakPolarHBondContact O-CG2 3.49Å; L794-T798 PolarHBondContact O-N 3.28Å; L794-T798 PolarHBondContact O-OG1 3.34Å
795	N	78.2	Confident	67.6	Low	73 Å²	73	67.4 Å²	67.4	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-56.5	-43.6	174.1	-170.9	48.7	0	0	0	111.3	F791 F793 V797 Q799 G800	F791-N795 WeakPolarHBondContact O-CB 3.46Å; F791-N795 PolarHBondContact O-N 2.93Å; F793-N795 VanDerWaalsContact C-N 3.3Å; F793-N795 PolarHBondContact O-N 3.48Å; N795-V797 VanDerWaalsContact C-N 3.29Å; N795-V797 PolarHBondContact O-N 3.35Å; N795-Q799 CarbonylContact O-C 3.54Å; N795-Q799 PolarHBondContact O-N 2.64Å; N795-Q799 VanDerWaalsContact OD1-CB 3.3Å; N795-Q799 WeakPolarHBondContact OD1-CB 3.49Å; N795-Q799 PolarHBondContact OD1-OE1 3.41Å; N795-G800 VanDerWaalsContact O-CA 3.25Å; N795-G800 WeakPolarHBondContact O-CA 3.4Å; N795-G800 PolarHBondContact O-N 2.85Å
796	Q	73.7	Confident	67.6	Low	36 Å²	36	58.9 Å²	58.9	17%	0.168	32%	0.322	C	S	.	.	I	π-helix	trans	-55.8	-41.8	174.6	169.9	176.7	17.7	0	0	112.5	G792 F793 L794 Q801 L808	G792-Q796 PolarHBondContact O-N 3.37Å; F793-Q796 VanDerWaalsContact O-CB 3.31Å; F793-Q796 WeakPolarHBondContact O-CB 3.48Å; F793-Q796 PolarHBondContact O-N 3.47Å; F793-Q796 VanDerWaalsContact O-N 3.08Å; L794-Q796 VanDerWaalsContact C-N 3.3Å; L794-Q796 PolarHBondContact O-N 3.34Å; Q796-Q801 HydrophobicContact CG-CB 4.33Å; Q796-Q801 HydrophobicContact CG-CG 3.9Å; Q796-Q801 PolarHBondContact O-N 3.08Å; Q796-L808 PolarHBondContact NE2-O 3.04Å
797	V	72.2	Confident	67.4	Low	10 Å²	10	58.1 Å²	58.1	6%	0.061	32%	0.316	C	S	.	.	I	π-helix	trans	-84.6	-36.1	-176	-178.4	0	0	0	0	112.9	F793 L794 N795 L836 F843	F793-V797 HydrophobicContact CD1-CG2 4.4Å; F793-V797 HydrophobicContact CE1-CG2 3.88Å; F793-V797 HydrophobicContact CE2-CG2 4.16Å; F793-V797 HydrophobicContact CZ-CG2 3.75Å; F793-V797 WeakPolarHBondContact O-CG2 3.37Å; F793-V797 PolarHBondContact O-N 2.96Å; F793-V797 VanDerWaalsContact O-N 3.09Å; L794-V797 CarbonylContact O-C 3.57Å; L794-V797 PolarHBondContact O-N 3.33Å; N795-V797 VanDerWaalsContact C-N 3.29Å; N795-V797 PolarHBondContact O-N 3.35Å; V797-L836 HydrophobicContact CG2-CD2 3.6Å; V797-F843 HydrophobicContact CG1-CD1 3.66Å; V797-F843 HydrophobicContact CG1-CE1 3.78Å; V797-F843 HydrophobicContact CG1-CG 4.2Å; V797-F843 HydrophobicContact CG1-CZ 4.39Å
798	T	69.4	Low	67.3	Low	32 Å²	32	56.2 Å²	56.2	20%	0.196	30%	0.3	C	S	.	.	I	π-helix	trans	-98.1	-35.8	-171.9	66.4	0	0	0	0	113.9	V518 L794	V518-T798 HydrophobicContact CB-CG2 4.3Å; V518-T798 HydrophobicContact CG1-CG2 3.81Å; L794-T798 WeakPolarHBondContact O-CB 3.14Å; L794-T798 WeakPolarHBondContact O-CG2 3.49Å; L794-T798 PolarHBondContact O-N 3.28Å; L794-T798 PolarHBondContact O-OG1 3.34Å
799	Q	62.4	Low	67	Low	143 Å²	143	55.8 Å²	55.8	67%	0.668	30%	0.298	S	S	*	.	I	π-helix	trans	-126.5	-24.9	-174.4	-58.4	-176.2	2.6	0	0	114.8	N795	N795-Q799 CarbonylContact O-C 3.54Å; N795-Q799 PolarHBondContact O-N 2.64Å; N795-Q799 VanDerWaalsContact OD1-CB 3.3Å; N795-Q799 WeakPolarHBondContact OD1-CB 3.49Å; N795-Q799 PolarHBondContact OD1-OE1 3.41Å
800	G	46.3	Very low	66.6	Low	27 Å²	27	56.8 Å²	56.8	28%	0.278	30%	0.299	S	S	.	.	I	π-helix	trans	-122.7	-4.6	-142.3	0	0	0	0	0	118.6	N795	N795-G800 VanDerWaalsContact O-CA 3.25Å; N795-G800 WeakPolarHBondContact O-CA 3.4Å; N795-G800 PolarHBondContact O-N 2.85Å
801	Q	45.6	Very low	65.8	Low	72 Å²	72	57.3 Å²	57.3	34%	0.336	30%	0.302	S	S	.	.	S	Bend	trans	-131.5	-11.8	169.7	-75.5	-79.3	-73.5	0	0	113.7	Q796 Q803 M806	Q796-Q801 HydrophobicContact CG-CB 4.33Å; Q796-Q801 HydrophobicContact CG-CG 3.9Å; Q796-Q801 PolarHBondContact O-N 3.08Å; Q801-Q803 PolarHBondContact O-N 3.41Å; Q801-M806 CarbonylContact C-O 3.59Å; Q801-M806 VanDerWaalsContact C-O 3.3Å
802	L	45.4	Very low	65.2	Low	57 Å²	57	57.9 Å²	57.9	30%	0.298	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	8.2	168.4	-91.7	162.3	0	0	0	114.2	L457 N804 G805 T847	L457-L802 HydrophobicContact CD1-CD2 3.32Å; L457-L802 HydrophobicContact CD1-CG 3.86Å; L802-N804 PolarHBondContact O-N 3.1Å; L802-G805 PolarHBondContact O-N 2.99Å; L802-T847 HydrophobicContact CD1-CG2 3.84Å
803	Q	44.1	Very low	65.1	Low	153 Å²	153	57.9 Å²	57.9	72%	0.715	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-55.2	107.6	167	-81.3	-170.3	-15.7	0	0	108.5	Q801	Q801-Q803 PolarHBondContact O-N 3.41Å
804	N	51.7	Low	64.5	Low	160 Å²	160	57.5 Å²	57.5	86%	0.856	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	68.3	21.4	-174.2	-51.2	-30.4	0	0	0	116	L802	L802-N804 PolarHBondContact O-N 3.1Å
805	G	57.1	Low	63.9	Low	25 Å²	25	59.5 Å²	59.5	26%	0.258	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	75.4	23.3	173.5	0	0	0	0	0	114.9	K456 L457 L802	K456-G805 WeakPolarHBondContact CA-O 3.28Å; L457-G805 PolarHBondContact N-O 3.39Å; L802-G805 PolarHBondContact O-N 2.99Å
806	M	62	Low	63.6	Low	79 Å²	79	58.4 Å²	58.4	39%	0.389	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	149.6	177.3	-60.6	-155.3	-64.7	0	0	111.5	V454 K456 Q801	V454-M806 HydrophobicContact CG1-SD 4.13Å; K456-M806 HydrophobicContact CG-CG 4.39Å; Q801-M806 CarbonylContact C-O 3.59Å; Q801-M806 VanDerWaalsContact C-O 3.3Å
807	L	66.8	Low	63.5	Low	11 Å²	11	60.8 Å²	60.8	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.9	168.9	-173.7	63.8	0	0	0	108.6	V455 L457 M809 L836	V455-L807 PolarHBondContact N-O 2.92Å; V455-L807 PolarHBondContact O-N 3.45Å; L457-L807 HydrophobicContact CD1-CB 3.87Å; L457-L807 HydrophobicContact CD2-CB 4.33Å; L457-L807 HydrophobicContact CD2-CD2 4.2Å; L457-L807 HydrophobicContact CG-CB 3.91Å; L807-M809 HydrophobicContact CD2-CG 3.84Å; L807-M809 HydrophobicContact CD2-SD 3.7Å; L807-M809 HydrophobicContact CG-CG 3.75Å; L807-M809 HydrophobicContact CG-SD 4.27Å; L807-L836 HydrophobicContact CD2-CB 4.38Å
808	L	67	Low	63.6	Low	58 Å²	58	65 Å²	65	30%	0.304	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.2	179	-162.1	114	0	0	0	108.7	M452 V454 Q796	M452-L808 HydrophobicContact CE-CD1 3.87Å; M452-L808 HydrophobicContact CE-CD2 3.51Å; M452-L808 HydrophobicContact CE-CG 3.75Å; M452-L808 HydrophobicContact SD-CD2 3.7Å; M452-L808 HydrophobicContact SD-CG 4.21Å; V454-L808 HydrophobicContact CG2-CD1 3.8Å; V454-L808 HydrophobicContact CG2-CG 4.38Å; Q796-L808 PolarHBondContact NE2-O 3.04Å
809	M	72.1	Confident	64.1	Low	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.7	-177.5	-53.2	-176.5	-64.8	0	0	109.8	M452 L453 V455 L807 L836 F837	M452-M809 CarbonylContact C-O 3.49Å; M452-M809 WeakPolarHBondContact CA-O 3.33Å; L453-M809 HydrophobicContact CD2-CE 4.13Å; L453-M809 PolarHBondContact N-O 3.14Å; L453-M809 PolarHBondContact O-N 3.35Å; V455-M809 HydrophobicContact CG2-CE 3.47Å; V455-M809 VanDerWaalsContact CG2-CE 3.47Å; L807-M809 HydrophobicContact CD2-CG 3.84Å; L807-M809 HydrophobicContact CD2-SD 3.7Å; L807-M809 HydrophobicContact CG-CG 3.75Å; L807-M809 HydrophobicContact CG-SD 4.27Å; M809-L836 HydrophobicContact CG-CB 4.32Å; M809-L836 HydrophobicContact SD-CB 4.17Å; M809-F837 HydrophobicContact CB-CD1 4.41Å; M809-F837 HydrophobicContact CB-CD2 4.44Å; M809-F837 HydrophobicContact CB-CE1 3.67Å; M809-F837 HydrophobicContact CB-CE2 3.72Å; M809-F837 HydrophobicContact CB-CZ 3.28Å; M809-F837 HydrophobicContact CE-CD1 3.67Å; M809-F837 HydrophobicContact CE-CE1 3.65Å; M809-F837 HydrophobicContact CE-CG 4.46Å; M809-F837 HydrophobicContact CE-CZ 4.43Å; M809-F837 HydrophobicContact CG-CE1 4.45Å; M809-F837 HydrophobicContact CG-CZ 4.35Å; M809-F837 HydrophobicContact SD-CD1 3.82Å; M809-F837 HydrophobicContact SD-CD2 4.37Å; M809-F837 HydrophobicContact SD-CE1 4Å; M809-F837 HydrophobicContact SD-CG 4.03Å; M809-F837 HydrophobicContact SD-CZ 4.37Å
810	K	72.9	Confident	64.6	Low	89 Å²	89	57.8 Å²	57.8	39%	0.387	30%	0.297	S	S	.	.			trans	-93.5	113.3	175.8	-64.3	175.7	-178.4	175.1	0	109.1	G451 M452 K812 Y813 F837	G451-K810 CarbonylContact O-C 3.54Å; G451-K810 VanDerWaalsContact O-C 3.23Å; G451-K810 WeakPolarHBondContact O-CA 3.15Å; M452-K810 HydrophobicContact CG-CG 3.99Å; M452-K810 HydrophobicContact SD-CD 4.49Å; M452-K810 HydrophobicContact SD-CG 3.63Å; K810-K812 HydrophobicContact CB-CG 4.17Å; K810-K812 PolarHBondContact O-N 3.08Å; K810-Y813 HydrophobicContact CB-CD2 3.67Å; K810-Y813 HydrophobicContact CB-CE2 4.02Å; K810-Y813 HydrophobicContact CD-CD2 4.42Å; K810-Y813 HydrophobicContact CD-CE2 3.91Å; K810-Y813 WeakPolarHBondContact O-CA 3.48Å; K810-Y813 WeakPolarHBondContact O-CB 3.45Å; K810-Y813 PolarHBondContact O-N 2.86Å; K810-F837 WeakPolarHBondContact O-CE2 3.36Å; K810-F837 WeakPolarHBondContact O-CZ 3.26Å
811	L	67	Low	66.3	Low	24 Å²	24	63.5 Å²	63.5	13%	0.126	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-52.5	-28.2	-179.9	-76.3	165	0	0	0	113.9	Q447 L448 G451 M452 L453 Y813 A814 F837	Q447-L811 HydrophobicContact CB-CD1 4.48Å; Q447-L811 WeakPolarHBondContact O-CD1 3.18Å; L448-L811 HydrophobicContact CD2-CD1 3.87Å; L448-L811 HydrophobicContact CG-CD1 4.13Å; G451-L811 PolarHBondContact O-N 3.03Å; M452-L811 VanDerWaalsContact O-CD1 3.3Å; M452-L811 WeakPolarHBondContact O-CD1 3.38Å; L453-L811 HydrophobicContact CB-CD1 4.35Å; L453-L811 HydrophobicContact CB-CD2 3.79Å; L453-L811 HydrophobicContact CB-CG 3.83Å; L453-L811 HydrophobicContact CD2-CD2 4.26Å; L811-Y813 PolarHBondContact O-N 3.45Å; L811-Y813 VanDerWaalsContact O-N 3.08Å; L811-A814 HydrophobicContact CD2-CB 4.25Å; L811-A814 VanDerWaalsContact O-CB 3.23Å; L811-A814 WeakPolarHBondContact O-CB 3.3Å; L811-A814 PolarHBondContact O-N 2.67Å; L811-F837 HydrophobicContact CD2-CE1 4.43Å
812	K	71.1	Confident	68.3	Low	122 Å²	122	61.2 Å²	61.2	53%	0.53	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.8	-18.5	172.6	69.7	173.3	-173.3	160.8	0	113.7	K810	K810-K812 HydrophobicContact CB-CG 4.17Å; K810-K812 PolarHBondContact O-N 3.08Å
813	Y	77.6	Confident	70.5	Confident	29 Å²	29	58.9 Å²	58.9	11%	0.114	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-103	-1.7	173.3	-53	-53.6	0	0	0	112.6	K810 L811 K815 T829 H830 Q833 H834	K810-Y813 HydrophobicContact CB-CD2 3.67Å; K810-Y813 HydrophobicContact CB-CE2 4.02Å; K810-Y813 HydrophobicContact CD-CD2 4.42Å; K810-Y813 HydrophobicContact CD-CE2 3.91Å; K810-Y813 WeakPolarHBondContact O-CA 3.48Å; K810-Y813 WeakPolarHBondContact O-CB 3.45Å; K810-Y813 PolarHBondContact O-N 2.86Å; L811-Y813 PolarHBondContact O-N 3.45Å; L811-Y813 VanDerWaalsContact O-N 3.08Å; Y813-K815 VanDerWaalsContact C-N 3.28Å; Y813-K815 PolarHBondContact O-N 3.33Å; Y813-T829 HydrophobicContact CE1-CG2 4.47Å; Y813-T829 HydrophobicContact CE2-CG2 4.47Å; Y813-T829 WeakPolarHBondContact OH-CG2 3.48Å; Y813-H830 HydrophobicContact CD1-CB 4.4Å; Y813-H830 AromaticContact CD1-ND1 3.67Å; Y813-Q833 HydrophobicContact CD1-CB 4.35Å; Y813-Q833 HydrophobicContact CD2-CB 3.2Å; Y813-Q833 HydrophobicContact CD2-CG 3.64Å; Y813-Q833 HydrophobicContact CE2-CB 3.76Å; Y813-Q833 HydrophobicContact CE2-CG 3.65Å; Y813-Q833 HydrophobicContact CG-CB 3.54Å; Y813-Q833 HydrophobicContact CG-CG 4.36Å; Y813-H834 VanDerWaalsContact O-CA 3.25Å; Y813-H834 WeakPolarHBondContact O-CA 3.44Å; Y813-H834 VanDerWaalsContact O-CB 3.26Å; Y813-H834 WeakPolarHBondContact O-CB 3.37Å; Y813-H834 PolarHBondContact O-ND1 3Å
814	A	71.8	Confident	72.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.5	175.6	0	0	0	0	0	111.4	E487 A490 L811 H834 F837	E487-A814 WeakPolarHBondContact CG-O 3.33Å; A490-A814 HydrophobicContact CB-CB 4.46Å; L811-A814 HydrophobicContact CD2-CB 4.25Å; L811-A814 VanDerWaalsContact O-CB 3.23Å; L811-A814 WeakPolarHBondContact O-CB 3.3Å; L811-A814 PolarHBondContact O-N 2.67Å; A814-H834 PolarHBondContact O-CE1 3.48Å; A814-H834 PolarHBondContact O-ND1 3.12Å; A814-F837 HydrophobicContact CB-CD1 3.77Å; A814-F837 HydrophobicContact CB-CD2 4.19Å; A814-F837 HydrophobicContact CB-CE1 3.56Å; A814-F837 HydrophobicContact CB-CE2 4Å; A814-F837 HydrophobicContact CB-CG 4.07Å; A814-F837 HydrophobicContact CB-CZ 3.66Å
815	K	68.5	Low	74.4	Confident	50 Å²	50	48.6 Å²	48.6	22%	0.217	24%	0.242	C	C	.	.	S	Bend	trans	-90.4	146	174.2	-163	-172.4	172.2	162.7	0	110.6	A490 E494 Y813 H830	A490-K815 HydrophobicContact CB-CB 4.15Å; E494-K815 PolarHBondContact O-NZ 2.87Å; E494-K815 VanDerWaalsContact O-NZ 3.13Å; Y813-K815 VanDerWaalsContact C-N 3.28Å; Y813-K815 PolarHBondContact O-N 3.33Å; K815-H830 PolarHBondContact O-CE1 3.2Å
816	R	70.2	Confident	75.9	Confident	50 Å²	50	52.1 Å²	52.1	19%	0.189	25%	0.252	C	S	.	.			trans	-67.8	125.9	161.7	-62.6	176	-170.5	158.9	-11	110.5	E487 E537 H834	E487-R816 IonicContact OE1-CZ 3.88Å; E487-R816 IonicContact OE1-NE 2.66Å; E537-R816 IonicContact OE1-CZ 3.7Å; E537-R816 IonicContact OE1-NH1 2.8Å; E537-R816 PolarHBondContact OE1-NH1 3.15Å; E537-R816 IonicContact OE1-NH2 3.54Å; E537-R816 PolarHBondContact OE1-NH2 3.32Å; E537-R816 IonicContact OE2-CZ 3.79Å; E537-R816 IonicContact OE2-NE 3.24Å; E537-R816 IonicContact OE2-NH1 3.57Å; E537-R816 PolarHBondContact OE2-NH1 3.48Å; E537-R816 IonicContact OE2-NH2 3.86Å; E537-R816 PolarHBondContact OE2-NH2 2.83Å; R816-H834 WeakPolarHBondContact CG-NE2 3.39Å; R816-H834 PolarHBondContact NE-NE2 3.22Å; R816-H834 VanDerWaalsContact NE-NE2 3.12Å
817	M	73.1	Confident	77.3	Confident	86 Å²	86	48.4 Å²	48.4	42%	0.424	23%	0.233	S	C	.	.			trans	-111.9	134.3	-177	-73.4	-179.1	74.1	0	0	110.7	E538 V819 M822 H830	E538-M817 WeakPolarHBondContact OE1-CA 3.48Å; E538-M817 PolarHBondContact OE1-N 2.9Å; M817-V819 WeakPolarHBondContact O-CG1 3.43Å; M817-V819 PolarHBondContact O-N 3Å; M817-M822 HydrophobicContact CB-CE 3.41Å; M817-M822 VanDerWaalsContact CB-CE 3.41Å; M817-M822 HydrophobicContact CE-CE 4.45Å; M817-M822 WeakPolarHBondContact O-CE 3.27Å; M817-M822 HydrophobicContact SD-CE 4.39Å; M817-H830 PolarHBondContact N-CE1 3.38Å; M817-H830 PolarHBondContact N-NE2 3.11Å; M817-H830 VanDerWaalsContact N-NE2 3.15Å
818	P	73.7	Confident	78.5	Confident	98 Å²	98	47.9 Å²	47.9	64%	0.636	23%	0.231	S	C	*	.			trans	-49.3	105.5	-175.6	-30.3	34.4	0	0	0	112.5	E538 N820	E538-P818 VanDerWaalsContact OE1-CA 3.26Å; E538-P818 WeakPolarHBondContact OE1-CA 3.47Å; P818-N820 PolarHBondContact O-N 2.74Å
819	V	80.5	Confident	79.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-81.3	-17.3	-167	-65.1	0	0	0	0	114.2	E538 P635 I773 M817 N821 M822 Y827	E538-V819 WeakPolarHBondContact OE2-CG1 3.25Å; E538-V819 WeakPolarHBondContact OE2-CG2 3.42Å; E538-V819 PolarHBondContact OE2-N 3.17Å; P635-V819 HydrophobicContact CG-CG2 3.38Å; I773-V819 WeakPolarHBondContact CG2-O 3.4Å; M817-V819 WeakPolarHBondContact O-CG1 3.43Å; M817-V819 PolarHBondContact O-N 3Å; V819-N821 PolarHBondContact O-N 2.99Å; V819-M822 HydrophobicContact CB-SD 4.2Å; V819-M822 HydrophobicContact CG1-CE 4.06Å; V819-M822 HydrophobicContact CG1-SD 3.94Å; V819-M822 VanDerWaalsContact O-CB 3.3Å; V819-M822 WeakPolarHBondContact O-CB 3.43Å; V819-M822 PolarHBondContact O-N 3.41Å; V819-Y827 HydrophobicContact CB-CD2 3.6Å; V819-Y827 HydrophobicContact CB-CE2 3.84Å; V819-Y827 HydrophobicContact CG1-CD2 3.54Å; V819-Y827 HydrophobicContact CG1-CE2 3.71Å; V819-Y827 HydrophobicContact CG2-CD2 4.15Å; V819-Y827 HydrophobicContact CG2-CE2 3.9Å
820	N	71.8	Confident	80.5	Confident	22 Å²	22	46.5 Å²	46.5	12%	0.118	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55	-32.5	-166.7	-81.6	-2.6	0	0	0	115.1	G540 L541 V772 S774 P818	G540-N820 WeakPolarHBondContact CA-ND2 3.22Å; G540-N820 PolarHBondContact O-ND2 3.37Å; L541-N820 PolarHBondContact N-ND2 3.13Å; V772-N820 WeakPolarHBondContact CG1-O 3.36Å; S774-N820 WeakPolarHBondContact CB-O 3.35Å; S774-N820 PolarHBondContact OG-O 3.21Å; P818-N820 PolarHBondContact O-N 2.74Å
821	N	81.3	Confident	81.3	Confident	147 Å²	147	42.3 Å²	42.3	79%	0.786	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-99.9	0.3	-179.6	-67.4	-18.8	0	0	0	113.4	V819	V819-N821 PolarHBondContact O-N 2.99Å
822	M	89.4	Confident	82.4	Confident	24 Å²	24	41.2 Å²	41.2	12%	0.118	20%	0.201	C	C	.	.	S	Bend	trans	-69.3	145.5	176.7	-65.9	-173.4	-172.8	0	0	110.6	V772 I773 M817 V819 E826 H830	V772-M822 WeakPolarHBondContact CA-O 3.34Å; I773-M822 PolarHBondContact N-O 3.1Å; M817-M822 HydrophobicContact CB-CE 3.41Å; M817-M822 VanDerWaalsContact CB-CE 3.41Å; M817-M822 HydrophobicContact CE-CE 4.45Å; M817-M822 WeakPolarHBondContact O-CE 3.27Å; M817-M822 HydrophobicContact SD-CE 4.39Å; V819-M822 HydrophobicContact CB-SD 4.2Å; V819-M822 HydrophobicContact CG1-CE 4.06Å; V819-M822 HydrophobicContact CG1-SD 3.94Å; V819-M822 VanDerWaalsContact O-CB 3.3Å; V819-M822 WeakPolarHBondContact O-CB 3.43Å; V819-M822 PolarHBondContact O-N 3.41Å; M822-E826 HydrophobicContact CB-CB 4.08Å; M822-E826 HydrophobicContact CG-CB 4.48Å; M822-E826 HydrophobicContact SD-CB 4.5Å; M822-H830 HydrophobicContact SD-CB 4.33Å
823	S	91.2	Very high	83.2	Confident	8 Å²	8	36.6 Å²	36.6	6%	0.056	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-64.5	153.9	163	60.5	0	0	0	0	110.6	S770 S771 R825 E826 Y827	S770-S823 WeakPolarHBondContact O-CB 3.38Å; S771-S823 CarbonylContact O-C 3.56Å; S771-S823 VanDerWaalsContact O-CA 3.29Å; S771-S823 WeakPolarHBondContact O-CA 3.1Å; S823-R825 PolarHBondContact O-N 3.35Å; S823-R825 WeakPolarHBondContact OG-CG 3.29Å; S823-R825 PolarHBondContact OG-NE 3.33Å; S823-E826 WeakPolarHBondContact CB-OE2 3.26Å; S823-E826 PolarHBondContact N-OE2 3.14Å; S823-E826 PolarHBondContact O-N 3.09Å; S823-E826 VanDerWaalsContact OG-CG 3.3Å; S823-E826 WeakPolarHBondContact OG-CG 3.31Å; S823-E826 PolarHBondContact OG-OE2 2.91Å; S823-Y827 PolarHBondContact O-N 2.81Å
824	V	90	Very high	83.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-50.4	-45.3	178.3	170.3	0	0	0	0	111.5	V765 R769 S771 I773 H776 I779 E826 Y827 C828	V765-V824 HydrophobicContact CG1-CG2 4.46Å; R769-V824 HydrophobicContact CB-CB 4.22Å; R769-V824 HydrophobicContact CB-CG2 4.42Å; R769-V824 WeakPolarHBondContact O-CB 3.36Å; S771-V824 WeakPolarHBondContact O-CG2 3.36Å; S771-V824 PolarHBondContact O-N 3.12Å; I773-V824 HydrophobicContact CD1-CG2 4.12Å; H776-V824 WeakPolarHBondContact CD2-CG2 3.47Å; I779-V824 HydrophobicContact CB-CG1 4.37Å; I779-V824 HydrophobicContact CD1-CG1 3.78Å; I779-V824 HydrophobicContact CD1-CG2 3.9Å; I779-V824 HydrophobicContact CG1-CG1 3.97Å; I779-V824 HydrophobicContact CG2-CG1 3.47Å; I779-V824 VanDerWaalsContact CG2-CG1 3.47Å; V824-E826 PolarHBondContact O-N 3.5Å; V824-Y827 WeakPolarHBondContact O-CB 3.4Å; V824-Y827 PolarHBondContact O-N 2.94Å; V824-C828 PolarHBondContact O-N 3.45Å; V824-C828 PolarHBondContact O-SG 3.44Å; V824-C828 VanDerWaalsContact O-SG 3.35Å
825	R	87.7	Confident	84.3	Confident	98 Å²	98	35.5 Å²	35.5	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-39.4	176.6	63.2	-178.3	-175.1	-179.9	4.1	114.5	S767 R769 S823 T829	S767-R825 WeakPolarHBondContact O-CA 3.19Å; R769-R825 PolarHBondContact O-N 3.41Å; S823-R825 PolarHBondContact O-N 3.35Å; S823-R825 WeakPolarHBondContact OG-CG 3.29Å; S823-R825 PolarHBondContact OG-NE 3.33Å; R825-T829 WeakPolarHBondContact O-CB 3.43Å; R825-T829 PolarHBondContact O-N 2.96Å; R825-T829 PolarHBondContact O-OG1 3.21Å
826	E	89.3	Confident	85	Confident	99 Å²	99	33.2 Å²	33.2	46%	0.463	17%	0.167	S	C	.	.	H	α-helix	trans	-70.4	-41.5	178.7	-75.9	162.6	153.4	0	0	109.9	M822 S823 V824 T829 H830	M822-E826 HydrophobicContact CB-CB 4.08Å; M822-E826 HydrophobicContact CG-CB 4.48Å; M822-E826 HydrophobicContact SD-CB 4.5Å; S823-E826 WeakPolarHBondContact CB-OE2 3.26Å; S823-E826 PolarHBondContact N-OE2 3.14Å; S823-E826 PolarHBondContact O-N 3.09Å; S823-E826 VanDerWaalsContact OG-CG 3.3Å; S823-E826 WeakPolarHBondContact OG-CG 3.31Å; S823-E826 PolarHBondContact OG-OE2 2.91Å; V824-E826 PolarHBondContact O-N 3.5Å; E826-T829 PolarHBondContact O-N 3.21Å; E826-H830 VanDerWaalsContact O-CB 3.26Å; E826-H830 WeakPolarHBondContact O-CB 3.27Å; E826-H830 PolarHBondContact O-N 3.45Å
827	Y	91.4	Very high	85.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-54.1	175	176.4	-108.6	0	0	0	112.2	F632 L633 I773 V819 S823 V824 T829 H830 I831	F632-Y827 HydrophobicContact CB-CE1 3.98Å; L633-Y827 VanDerWaalsContact O-CE1 3.3Å; L633-Y827 WeakPolarHBondContact O-CE1 3.4Å; L633-Y827 VanDerWaalsContact O-CZ 3.3Å; L633-Y827 PolarHBondContact O-OH 2.85Å; I773-Y827 HydrophobicContact CB-CG 4.28Å; I773-Y827 HydrophobicContact CD1-CD1 3.42Å; I773-Y827 VanDerWaalsContact CD1-CD1 3.42Å; I773-Y827 HydrophobicContact CD1-CE1 3.87Å; I773-Y827 HydrophobicContact CD1-CG 3.94Å; I773-Y827 HydrophobicContact CG1-CD1 3.62Å; I773-Y827 HydrophobicContact CG1-CD2 4.14Å; I773-Y827 HydrophobicContact CG1-CE1 4.01Å; I773-Y827 HydrophobicContact CG1-CE2 4.48Å; I773-Y827 HydrophobicContact CG1-CG 3.67Å; V819-Y827 HydrophobicContact CB-CD2 3.6Å; V819-Y827 HydrophobicContact CB-CE2 3.84Å; V819-Y827 HydrophobicContact CG1-CD2 3.54Å; V819-Y827 HydrophobicContact CG1-CE2 3.71Å; V819-Y827 HydrophobicContact CG2-CD2 4.15Å; V819-Y827 HydrophobicContact CG2-CE2 3.9Å; S823-Y827 PolarHBondContact O-N 2.81Å; V824-Y827 WeakPolarHBondContact O-CB 3.4Å; V824-Y827 PolarHBondContact O-N 2.94Å; Y827-T829 VanDerWaalsContact C-N 3.3Å; Y827-T829 PolarHBondContact O-N 3.32Å; Y827-H830 PolarHBondContact O-N 3.2Å; Y827-H830 VanDerWaalsContact O-N 3.13Å; Y827-I831 HydrophobicContact CD1-CG1 4.44Å; Y827-I831 HydrophobicContact CD2-CD1 4.32Å; Y827-I831 HydrophobicContact CD2-CG1 3.87Å; Y827-I831 HydrophobicContact CE1-CG1 4.1Å; Y827-I831 HydrophobicContact CE2-CD1 3.67Å; Y827-I831 HydrophobicContact CE2-CG1 3.47Å; Y827-I831 VanDerWaalsContact CE2-CG1 3.47Å; Y827-I831 HydrophobicContact CG-CG1 4.35Å; Y827-I831 WeakPolarHBondContact O-CG1 3.32Å; Y827-I831 PolarHBondContact O-N 3.1Å
828	C	92.1	Very high	85.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-43.2	179.2	-67.7	0	0	0	0	112.1	F632 F788 V824 A832	F632-C828 HydrophobicContact CD2-CB 4.1Å; F632-C828 WeakPolarHBondContact CD2-SG 3.27Å; F632-C828 HydrophobicContact CE1-CB 4.44Å; F632-C828 HydrophobicContact CE2-CB 3.74Å; F632-C828 HydrophobicContact CZ-CB 3.93Å; F788-C828 HydrophobicContact CB-CB 4.24Å; F788-C828 HydrophobicContact CD1-CB 3.92Å; F788-C828 HydrophobicContact CD2-CB 4.17Å; F788-C828 HydrophobicContact CE1-CB 4.38Å; F788-C828 HydrophobicContact CG-CB 3.8Å; V824-C828 PolarHBondContact O-N 3.45Å; V824-C828 PolarHBondContact O-SG 3.44Å; V824-C828 VanDerWaalsContact O-SG 3.35Å; C828-A832 VanDerWaalsContact O-CB 3.3Å; C828-A832 WeakPolarHBondContact O-CB 3.41Å; C828-A832 PolarHBondContact O-N 3.21Å
829	T	89.7	Confident	85.8	Confident	27 Å²	27	26 Å²	26	17%	0.166	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-45.1	176.6	-54.8	0	0	0	0	111.6	Y813 R825 E826 Y827 Q833	Y813-T829 HydrophobicContact CE1-CG2 4.47Å; Y813-T829 HydrophobicContact CE2-CG2 4.47Å; Y813-T829 WeakPolarHBondContact OH-CG2 3.48Å; R825-T829 WeakPolarHBondContact O-CB 3.43Å; R825-T829 PolarHBondContact O-N 2.96Å; R825-T829 PolarHBondContact O-OG1 3.21Å; E826-T829 PolarHBondContact O-N 3.21Å; Y827-T829 VanDerWaalsContact C-N 3.3Å; Y827-T829 PolarHBondContact O-N 3.32Å; T829-Q833 HydrophobicContact CG2-CG 4.35Å; T829-Q833 VanDerWaalsContact O-CB 3.28Å; T829-Q833 WeakPolarHBondContact O-CB 3.43Å; T829-Q833 WeakPolarHBondContact O-CG 3.29Å; T829-Q833 PolarHBondContact O-N 3.34Å; T829-Q833 VanDerWaalsContact O-N 3.1Å
830	H	89.4	Confident	85.4	Confident	3 Å²	3	26 Å²	26	1%	0.014	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-53.4	179.7	178.9	76.2	0	0	0	111.1	Y813 K815 M817 M822 E826 Y827 A832 Q833 H834	Y813-H830 HydrophobicContact CD1-CB 4.4Å; Y813-H830 AromaticContact CD1-ND1 3.67Å; K815-H830 PolarHBondContact O-CE1 3.2Å; M817-H830 PolarHBondContact N-CE1 3.38Å; M817-H830 PolarHBondContact N-NE2 3.11Å; M817-H830 VanDerWaalsContact N-NE2 3.15Å; M822-H830 HydrophobicContact SD-CB 4.33Å; E826-H830 VanDerWaalsContact O-CB 3.26Å; E826-H830 WeakPolarHBondContact O-CB 3.27Å; E826-H830 PolarHBondContact O-N 3.45Å; Y827-H830 PolarHBondContact O-N 3.2Å; Y827-H830 VanDerWaalsContact O-N 3.13Å; H830-A832 PolarHBondContact O-N 3.09Å; H830-Q833 PolarHBondContact O-N 3.29Å; H830-H834 WeakPolarHBondContact O-CB 3.2Å; H830-H834 PolarHBondContact O-N 3.18Å
831	I	91.1	Very high	85.3	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-49.4	-178.2	-62.7	-60.7	0	0	0	111.6	N534 F632 Y827 Q833 H834 A835	N534-I831 HydrophobicContact CB-CD1 3.47Å; N534-I831 VanDerWaalsContact CB-CD1 3.47Å; F632-I831 HydrophobicContact CD1-CB 3.94Å; F632-I831 HydrophobicContact CD1-CG2 3.78Å; F632-I831 HydrophobicContact CE1-CB 3.83Å; F632-I831 HydrophobicContact CE1-CG2 3.78Å; Y827-I831 HydrophobicContact CD1-CG1 4.44Å; Y827-I831 HydrophobicContact CD2-CD1 4.32Å; Y827-I831 HydrophobicContact CD2-CG1 3.87Å; Y827-I831 HydrophobicContact CE1-CG1 4.1Å; Y827-I831 HydrophobicContact CE2-CD1 3.67Å; Y827-I831 HydrophobicContact CE2-CG1 3.47Å; Y827-I831 VanDerWaalsContact CE2-CG1 3.47Å; Y827-I831 HydrophobicContact CG-CG1 4.35Å; Y827-I831 WeakPolarHBondContact O-CG1 3.32Å; Y827-I831 PolarHBondContact O-N 3.1Å; I831-Q833 VanDerWaalsContact C-N 3.32Å; I831-Q833 PolarHBondContact O-N 2.83Å; I831-H834 PolarHBondContact O-N 3.45Å; I831-A835 PolarHBondContact O-N 3.1Å
832	A	89.9	Confident	85	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-40	-178.3	0	0	0	0	0	112.3	F527 F632 F788 F793 C828 H830 A835	F527-A832 HydrophobicContact CD1-CB 4.04Å; F527-A832 HydrophobicContact CE1-CB 3.84Å; F632-A832 HydrophobicContact CE1-CB 4.29Å; F632-A832 HydrophobicContact CZ-CB 4.15Å; F788-A832 HydrophobicContact CE2-CB 3.55Å; F788-A832 HydrophobicContact CZ-CB 4.04Å; F793-A832 HydrophobicContact CD2-CB 4.05Å; F793-A832 HydrophobicContact CE1-CB 4.47Å; F793-A832 HydrophobicContact CE2-CB 3.83Å; F793-A832 WeakPolarHBondContact CE2-O 3.34Å; F793-A832 HydrophobicContact CG-CB 4.45Å; F793-A832 HydrophobicContact CZ-CB 4.05Å; F793-A832 WeakPolarHBondContact CZ-O 3.49Å; C828-A832 VanDerWaalsContact O-CB 3.3Å; C828-A832 WeakPolarHBondContact O-CB 3.41Å; C828-A832 PolarHBondContact O-N 3.21Å; H830-A832 PolarHBondContact O-N 3.09Å; A832-A835 WeakPolarHBondContact O-CB 3.3Å
833	Q	87.2	Confident	84.1	Confident	25 Å²	25	21.3 Å²	21.3	12%	0.117	10%	0.097	C	C	.	.	H	α-helix	trans	-76	-34.7	179	-67.7	-76	-41.1	0	0	112.3	Y813 T829 H830 I831 A835 L836	Y813-Q833 HydrophobicContact CD1-CB 4.35Å; Y813-Q833 HydrophobicContact CD2-CB 3.2Å; Y813-Q833 HydrophobicContact CD2-CG 3.64Å; Y813-Q833 HydrophobicContact CE2-CB 3.76Å; Y813-Q833 HydrophobicContact CE2-CG 3.65Å; Y813-Q833 HydrophobicContact CG-CB 3.54Å; Y813-Q833 HydrophobicContact CG-CG 4.36Å; T829-Q833 HydrophobicContact CG2-CG 4.35Å; T829-Q833 VanDerWaalsContact O-CB 3.28Å; T829-Q833 WeakPolarHBondContact O-CB 3.43Å; T829-Q833 WeakPolarHBondContact O-CG 3.29Å; T829-Q833 PolarHBondContact O-N 3.34Å; T829-Q833 VanDerWaalsContact O-N 3.1Å; H830-Q833 PolarHBondContact O-N 3.29Å; I831-Q833 VanDerWaalsContact C-N 3.32Å; I831-Q833 PolarHBondContact O-N 2.83Å; Q833-A835 VanDerWaalsContact C-N 3.3Å; Q833-L836 WeakPolarHBondContact O-CB 3.47Å; Q833-L836 PolarHBondContact O-N 2.97Å
834	H	86.5	Confident	82.9	Confident	6 Å²	6	21.3 Å²	21.3	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-63.7	-37.6	173.6	-178.8	65.8	0	0	0	111.4	E487 Y813 A814 R816 H830 I831 L836 F837 H838	E487-H834 IonicContact OE1-CE1 2.77Å; E487-H834 IonicContact OE1-NE2 2.82Å; Y813-H834 VanDerWaalsContact O-CA 3.25Å; Y813-H834 WeakPolarHBondContact O-CA 3.44Å; Y813-H834 VanDerWaalsContact O-CB 3.26Å; Y813-H834 WeakPolarHBondContact O-CB 3.37Å; Y813-H834 PolarHBondContact O-ND1 3Å; A814-H834 PolarHBondContact O-CE1 3.48Å; A814-H834 PolarHBondContact O-ND1 3.12Å; R816-H834 WeakPolarHBondContact CG-NE2 3.39Å; R816-H834 PolarHBondContact NE-NE2 3.22Å; R816-H834 VanDerWaalsContact NE-NE2 3.12Å; H830-H834 WeakPolarHBondContact O-CB 3.2Å; H830-H834 PolarHBondContact O-N 3.18Å; I831-H834 PolarHBondContact O-N 3.45Å; H834-L836 PolarHBondContact O-N 3.5Å; H834-L836 VanDerWaalsContact O-N 3.12Å; H834-F837 WeakPolarHBondContact O-CB 3.45Å; H834-F837 PolarHBondContact O-N 3.32Å; H834-H838 AromaticContact CD2-CD2 3.87Å; H834-H838 AromaticContact CE1-CD2 3.23Å; H834-H838 PolarHBondContact CE1-CD2 2.93Å; H834-H838 AromaticContact CE1-NE2 3.02Å; H834-H838 PolarHBondContact CE1-NE2 2.97Å; H834-H838 AromaticContact ND1-CD2 3.82Å; H834-H838 AromaticContact ND1-NE2 3.78Å; H834-H838 AromaticContact NE2-CD2 3.25Å; H834-H838 PolarHBondContact NE2-CD2 2.99Å; H834-H838 VanDerWaalsContact NE2-CD2 3.25Å; H834-H838 AromaticContact NE2-NE2 3.48Å; H834-H838 PolarHBondContact NE2-NE2 3.29Å
835	A	86.9	Confident	81.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-53.8	-33.3	174.5	0	0	0	0	0	113.2	A526 S530 I831 A832 Q833 F837 H838 L839	A526-A835 HydrophobicContact CB-CB 4.07Å; S530-A835 WeakPolarHBondContact OG-CB 3.32Å; I831-A835 PolarHBondContact O-N 3.1Å; A832-A835 WeakPolarHBondContact O-CB 3.3Å; Q833-A835 VanDerWaalsContact C-N 3.3Å; A835-F837 PolarHBondContact O-N 3.22Å; A835-H838 PolarHBondContact O-N 3.2Å; A835-L839 HydrophobicContact CB-CD1 4.45Å; A835-L839 VanDerWaalsContact O-CB 3.28Å; A835-L839 WeakPolarHBondContact O-CB 3.42Å; A835-L839 PolarHBondContact O-N 3.1Å
836	L	82.3	Confident	80.6	Confident	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-29.9	178.9	-60.4	-178.9	0	0	0	112.8	F793 V797 L807 M809 Q833 H834 A840 F843	F793-L836 HydrophobicContact CE2-CD1 4.15Å; F793-L836 HydrophobicContact CE2-CD2 4.07Å; F793-L836 HydrophobicContact CE2-CG 4.11Å; F793-L836 HydrophobicContact CZ-CD2 3.96Å; F793-L836 HydrophobicContact CZ-CG 4.39Å; V797-L836 HydrophobicContact CG2-CD2 3.6Å; L807-L836 HydrophobicContact CD2-CB 4.38Å; M809-L836 HydrophobicContact CG-CB 4.32Å; M809-L836 HydrophobicContact SD-CB 4.17Å; Q833-L836 WeakPolarHBondContact O-CB 3.47Å; Q833-L836 PolarHBondContact O-N 2.97Å; H834-L836 PolarHBondContact O-N 3.5Å; H834-L836 VanDerWaalsContact O-N 3.12Å; L836-A840 WeakPolarHBondContact O-CA 3.5Å; L836-A840 VanDerWaalsContact O-CB 3.28Å; L836-A840 WeakPolarHBondContact O-CB 3.39Å; L836-A840 PolarHBondContact O-N 3.07Å; L836-F843 HydrophobicContact CD2-CD2 4.4Å; L836-F843 HydrophobicContact CD2-CE2 4.14Å
837	F	77.8	Confident	79.1	Confident	8 Å²	8	17.5 Å²	17.5	4%	0.035	9%	0.085	C	C	.	.	H	α-helix	trans	-75.8	-43.6	178.5	-70.3	-89.5	0	0	0	111.7	L453 A486 M809 K810 L811 A814 H834 A835	L453-F837 HydrophobicContact CB-CE1 4.43Å; L453-F837 HydrophobicContact CD2-CE1 4.36Å; A486-F837 HydrophobicContact CB-CD1 3.95Å; M809-F837 HydrophobicContact CB-CD1 4.41Å; M809-F837 HydrophobicContact CB-CD2 4.44Å; M809-F837 HydrophobicContact CB-CE1 3.67Å; M809-F837 HydrophobicContact CB-CE2 3.72Å; M809-F837 HydrophobicContact CB-CZ 3.28Å; M809-F837 HydrophobicContact CE-CD1 3.67Å; M809-F837 HydrophobicContact CE-CE1 3.65Å; M809-F837 HydrophobicContact CE-CG 4.46Å; M809-F837 HydrophobicContact CE-CZ 4.43Å; M809-F837 HydrophobicContact CG-CE1 4.45Å; M809-F837 HydrophobicContact CG-CZ 4.35Å; M809-F837 HydrophobicContact SD-CD1 3.82Å; M809-F837 HydrophobicContact SD-CD2 4.37Å; M809-F837 HydrophobicContact SD-CE1 4Å; M809-F837 HydrophobicContact SD-CG 4.03Å; M809-F837 HydrophobicContact SD-CZ 4.37Å; K810-F837 WeakPolarHBondContact O-CE2 3.36Å; K810-F837 WeakPolarHBondContact O-CZ 3.26Å; L811-F837 HydrophobicContact CD2-CE1 4.43Å; A814-F837 HydrophobicContact CB-CD1 3.77Å; A814-F837 HydrophobicContact CB-CD2 4.19Å; A814-F837 HydrophobicContact CB-CE1 3.56Å; A814-F837 HydrophobicContact CB-CE2 4Å; A814-F837 HydrophobicContact CB-CG 4.07Å; A814-F837 HydrophobicContact CB-CZ 3.66Å; H834-F837 WeakPolarHBondContact O-CB 3.45Å; H834-F837 PolarHBondContact O-N 3.32Å; A835-F837 PolarHBondContact O-N 3.22Å
838	H	76.4	Confident	76.9	Confident	70 Å²	70	22.8 Å²	22.8	32%	0.324	12%	0.117	S	C	.	.	H	α-helix	trans	-88	-24.9	-173.8	-66.2	-66.9	0	0	0	114.4	E487 H834 A835	E487-H838 VanDerWaalsContact CG-CE1 3.4Å; E487-H838 WeakPolarHBondContact CG-CE1 3.49Å; E487-H838 IonicContact OE1-CE1 2.67Å; E487-H838 PolarHBondContact OE1-CE1 3.11Å; E487-H838 IonicContact OE1-NE2 3.77Å; E487-H838 PolarHBondContact OE1-NE2 3.46Å; E487-H838 VanDerWaalsContact OE1-NE2 3.12Å; E487-H838 IonicContact OE2-CE1 2.72Å; E487-H838 PolarHBondContact OE2-CE1 3.15Å; E487-H838 IonicContact OE2-NE2 3.85Å; H834-H838 AromaticContact CD2-CD2 3.87Å; H834-H838 AromaticContact CE1-CD2 3.23Å; H834-H838 PolarHBondContact CE1-CD2 2.93Å; H834-H838 AromaticContact CE1-NE2 3.02Å; H834-H838 PolarHBondContact CE1-NE2 2.97Å; H834-H838 AromaticContact ND1-CD2 3.82Å; H834-H838 AromaticContact ND1-NE2 3.78Å; H834-H838 AromaticContact NE2-CD2 3.25Å; H834-H838 PolarHBondContact NE2-CD2 2.99Å; H834-H838 VanDerWaalsContact NE2-CD2 3.25Å; H834-H838 AromaticContact NE2-NE2 3.48Å; H834-H838 PolarHBondContact NE2-NE2 3.29Å; A835-H838 PolarHBondContact O-N 3.2Å
839	L	79.3	Confident	74.4	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-107.5	11.1	179.3	-57.9	178.3	0	0	0	112.1	A525 Y529 L569 P570 A835 E841 W842 F843	A525-L839 HydrophobicContact CB-CD1 3.89Å; A525-L839 WeakPolarHBondContact O-CD1 3.06Å; Y529-L839 HydrophobicContact CD1-CD1 3.95Å; Y529-L839 HydrophobicContact CD1-CD2 4.49Å; Y529-L839 HydrophobicContact CE1-CD1 4.18Å; Y529-L839 HydrophobicContact CE1-CD2 3.94Å; L569-L839 HydrophobicContact CD2-CD1 4.16Å; L569-L839 HydrophobicContact CD2-CD2 4.24Å; P570-L839 HydrophobicContact CG-CD2 3.77Å; A835-L839 HydrophobicContact CB-CD1 4.45Å; A835-L839 VanDerWaalsContact O-CB 3.28Å; A835-L839 WeakPolarHBondContact O-CB 3.42Å; A835-L839 PolarHBondContact O-N 3.1Å; L839-E841 VanDerWaalsContact C-N 3.31Å; L839-E841 PolarHBondContact O-N 3.37Å; L839-W842 HydrophobicContact CB-CB 4.45Å; L839-W842 CarbonylContact O-C 3.55Å; L839-W842 PolarHBondContact O-N 2.71Å; L839-W842 VanDerWaalsContact O-N 3.08Å; L839-F843 HydrophobicContact CB-CD2 3.73Å; L839-F843 HydrophobicContact CB-CE2 3.59Å; L839-F843 HydrophobicContact CB-CZ 4.44Å; L839-F843 HydrophobicContact CD1-CE2 4.36Å; L839-F843 WeakPolarHBondContact O-CB 3.1Å; L839-F843 WeakPolarHBondContact O-CD2 3.41Å; L839-F843 PolarHBondContact O-N 3.29Å
840	A	73.5	Confident	71.9	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-51.7	-48	180	0	0	0	0	0	112.8	A460 F483 L836 F843 A844	A460-A840 HydrophobicContact CB-CB 4.37Å; F483-A840 HydrophobicContact CD1-CB 3.53Å; F483-A840 HydrophobicContact CE1-CB 3.68Å; L836-A840 WeakPolarHBondContact O-CA 3.5Å; L836-A840 VanDerWaalsContact O-CB 3.28Å; L836-A840 WeakPolarHBondContact O-CB 3.39Å; L836-A840 PolarHBondContact O-N 3.07Å; A840-F843 PolarHBondContact O-N 3.09Å; A840-A844 VanDerWaalsContact O-CB 3.31Å; A840-A844 WeakPolarHBondContact O-CB 3.18Å; A840-A844 PolarHBondContact O-N 3.17Å
841	E	69	Low	71	Confident	61 Å²	61	34.2 Å²	34.2	29%	0.285	18%	0.181	S	C	.	.	H	α-helix	trans	-62.9	-44.8	178.5	-174.5	172.6	-156.8	0	0	110.8	A460 K461 R462 L839 A844 E845	A460-E841 HydrophobicContact CB-CB 4.43Å; K461-E841 WeakPolarHBondContact CA-OE1 3.45Å; K461-E841 HydrophobicContact CB-CG 4.4Å; R462-E841 PolarHBondContact N-OE1 3.49Å; L839-E841 VanDerWaalsContact C-N 3.31Å; L839-E841 PolarHBondContact O-N 3.37Å; E841-A844 PolarHBondContact O-N 2.92Å; E841-E845 WeakPolarHBondContact O-CG 3.34Å; E841-E845 PolarHBondContact O-N 3.3Å
842	W	74.2	Confident	69.9	Low	20 Å²	20	35.9 Å²	35.9	8%	0.076	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-42.1	178.7	-172.8	92.6	0	0	0	112.4	I521 A525 L568 L569 L839 E845 Y846	I521-W842 HydrophobicContact CB-CH2 4.49Å; I521-W842 HydrophobicContact CG2-CH2 3.16Å; I521-W842 HydrophobicContact CG2-CZ2 3.94Å; I521-W842 HydrophobicContact CG2-CZ3 3.8Å; A525-W842 HydrophobicContact CB-CE3 4.11Å; A525-W842 HydrophobicContact CB-CH2 3.68Å; A525-W842 HydrophobicContact CB-CZ3 3.36Å; L568-W842 PolarHBondContact O-NE1 3.1Å; L569-W842 HydrophobicContact CD2-CD2 3.87Å; L569-W842 HydrophobicContact CD2-CE3 4.17Å; L569-W842 HydrophobicContact CD2-CG 4.43Å; L569-W842 HydrophobicContact CD2-CH2 3.84Å; L569-W842 HydrophobicContact CD2-CZ2 3.6Å; L569-W842 HydrophobicContact CD2-CZ3 4.17Å; L569-W842 HydrophobicContact CG-CH2 4.36Å; L569-W842 HydrophobicContact CG-CZ2 3.84Å; L839-W842 HydrophobicContact CB-CB 4.45Å; L839-W842 CarbonylContact O-C 3.55Å; L839-W842 PolarHBondContact O-N 2.71Å; L839-W842 VanDerWaalsContact O-N 3.08Å; W842-E845 PolarHBondContact O-N 2.79Å; W842-Y846 HydrophobicContact CD2-CD2 4.05Å; W842-Y846 HydrophobicContact CD2-CE2 4.49Å; W842-Y846 AromaticContact CE2-CD2 3.71Å; W842-Y846 AromaticContact CE2-CE2 3.7Å; W842-Y846 HydrophobicContact CE3-CD2 4.24Å; W842-Y846 AromaticContact CH2-CD2 3.99Å; W842-Y846 HydrophobicContact CH2-CD2 3.99Å; W842-Y846 HydrophobicContact CH2-CE2 4.03Å; W842-Y846 AromaticContact CZ2-CD2 3.7Å; W842-Y846 HydrophobicContact CZ2-CD2 3.7Å; W842-Y846 AromaticContact CZ2-CE2 3.44Å; W842-Y846 HydrophobicContact CZ2-CE2 3.44Å; W842-Y846 VanDerWaalsContact CZ2-CE2 3.44Å; W842-Y846 HydrophobicContact CZ3-CD2 4.21Å; W842-Y846 PolarHBondContact O-N 2.94Å; W842-Y846 VanDerWaalsContact O-N 3.09Å
843	F	70.8	Confident	68.8	Low	13 Å²	13	37.9 Å²	37.9	6%	0.057	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-43.1	173.9	-78.2	-57	0	0	0	111.8	A522 A525 A526 V797 L836 L839 A840 E845 Y846 T847	A522-F843 HydrophobicContact CB-CE1 4.17Å; A525-F843 HydrophobicContact CB-CE1 4.07Å; A525-F843 HydrophobicContact CB-CZ 3.88Å; A526-F843 HydrophobicContact CB-CZ 4.19Å; V797-F843 HydrophobicContact CG1-CD1 3.66Å; V797-F843 HydrophobicContact CG1-CE1 3.78Å; V797-F843 HydrophobicContact CG1-CG 4.2Å; V797-F843 HydrophobicContact CG1-CZ 4.39Å; L836-F843 HydrophobicContact CD2-CD2 4.4Å; L836-F843 HydrophobicContact CD2-CE2 4.14Å; L839-F843 HydrophobicContact CB-CD2 3.73Å; L839-F843 HydrophobicContact CB-CE2 3.59Å; L839-F843 HydrophobicContact CB-CZ 4.44Å; L839-F843 HydrophobicContact CD1-CE2 4.36Å; L839-F843 WeakPolarHBondContact O-CB 3.1Å; L839-F843 WeakPolarHBondContact O-CD2 3.41Å; L839-F843 PolarHBondContact O-N 3.29Å; A840-F843 PolarHBondContact O-N 3.09Å; F843-E845 VanDerWaalsContact C-N 3.32Å; F843-E845 PolarHBondContact O-N 2.78Å; F843-Y846 PolarHBondContact O-N 3.47Å; F843-T847 WeakPolarHBondContact O-CB 3.24Å; F843-T847 WeakPolarHBondContact O-CG2 3.44Å; F843-T847 PolarHBondContact O-N 2.93Å; F843-T847 PolarHBondContact O-OG1 3.12Å
844	A	67	Low	67.7	Low	8 Å²	8	38.7 Å²	38.7	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176	0	0	0	0	0	111.1	L457 A840 E841 Y846 T847 V848	L457-A844 HydrophobicContact CB-CB 4.44Å; L457-A844 HydrophobicContact CD2-CB 3.89Å; A840-A844 VanDerWaalsContact O-CB 3.31Å; A840-A844 WeakPolarHBondContact O-CB 3.18Å; A840-A844 PolarHBondContact O-N 3.17Å; E841-A844 PolarHBondContact O-N 2.92Å; A844-Y846 VanDerWaalsContact C-N 3.32Å; A844-Y846 PolarHBondContact O-N 3.09Å; A844-T847 PolarHBondContact O-OG1 3.13Å; A844-V848 VanDerWaalsContact O-CB 3.28Å; A844-V848 WeakPolarHBondContact O-CB 3.15Å; A844-V848 VanDerWaalsContact O-CG2 3.24Å; A844-V848 WeakPolarHBondContact O-CG2 3.37Å; A844-V848 PolarHBondContact O-N 3.33Å
845	E	66.9	Low	66.6	Low	61 Å²	61	40.8 Å²	40.8	29%	0.285	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-32.1	177.4	-70.9	-158.6	153.1	0	0	113.3	K461 K567 E841 W842 F843 A849	K461-E845 HydrophobicContact CD-CG 4.39Å; K461-E845 WeakPolarHBondContact CE-OE1 3.46Å; K461-E845 IonicContact NZ-OE1 2.97Å; K461-E845 PolarHBondContact NZ-OE1 3.06Å; K567-E845 PolarHBondContact NZ-O 3.43Å; E841-E845 WeakPolarHBondContact O-CG 3.34Å; E841-E845 PolarHBondContact O-N 3.3Å; W842-E845 PolarHBondContact O-N 2.79Å; F843-E845 VanDerWaalsContact C-N 3.32Å; F843-E845 PolarHBondContact O-N 2.78Å; E845-A849 WeakPolarHBondContact O-CB 3.41Å
846	Y	61.8	Low	65.2	Low	32 Å²	32	43.4 Å²	43.4	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-76.9	-37.7	178	-108.8	-77.9	0	0	0	113	I521 K567 W842 F843 A844	I521-Y846 HydrophobicContact CD1-CD1 3.97Å; I521-Y846 HydrophobicContact CD1-CE1 3.26Å; I521-Y846 HydrophobicContact CG1-CE1 4.42Å; I521-Y846 HydrophobicContact CG2-CD1 3.93Å; I521-Y846 HydrophobicContact CG2-CD2 4.16Å; I521-Y846 HydrophobicContact CG2-CE1 3.85Å; I521-Y846 HydrophobicContact CG2-CE2 4.05Å; I521-Y846 HydrophobicContact CG2-CG 4.08Å; K567-Y846 HydrophobicContact CB-CD2 4.33Å; K567-Y846 HydrophobicContact CB-CE2 3.45Å; K567-Y846 VanDerWaalsContact CB-CE2 3.45Å; K567-Y846 HydrophobicContact CD-CD2 3.88Å; K567-Y846 HydrophobicContact CD-CE2 3.67Å; K567-Y846 HydrophobicContact CD-CG 4.42Å; K567-Y846 HydrophobicContact CG-CE2 4.21Å; W842-Y846 HydrophobicContact CD2-CD2 4.05Å; W842-Y846 HydrophobicContact CD2-CE2 4.49Å; W842-Y846 AromaticContact CE2-CD2 3.71Å; W842-Y846 AromaticContact CE2-CE2 3.7Å; W842-Y846 HydrophobicContact CE3-CD2 4.24Å; W842-Y846 AromaticContact CH2-CD2 3.99Å; W842-Y846 HydrophobicContact CH2-CD2 3.99Å; W842-Y846 HydrophobicContact CH2-CE2 4.03Å; W842-Y846 AromaticContact CZ2-CD2 3.7Å; W842-Y846 HydrophobicContact CZ2-CD2 3.7Å; W842-Y846 AromaticContact CZ2-CE2 3.44Å; W842-Y846 HydrophobicContact CZ2-CE2 3.44Å; W842-Y846 VanDerWaalsContact CZ2-CE2 3.44Å; W842-Y846 HydrophobicContact CZ3-CD2 4.21Å; W842-Y846 PolarHBondContact O-N 2.94Å; W842-Y846 VanDerWaalsContact O-N 3.09Å; F843-Y846 PolarHBondContact O-N 3.47Å; A844-Y846 VanDerWaalsContact C-N 3.32Å; A844-Y846 PolarHBondContact O-N 3.09Å
847	T	57.1	Low	64	Low	24 Å²	24	46.4 Å²	46.4	15%	0.147	25%	0.246	C	C	.	.	H	α-helix	trans	-80.2	-39.8	-178.3	48.4	0	0	0	0	113	L802 F843 A844 A849 Q850	L802-T847 HydrophobicContact CD1-CG2 3.84Å; F843-T847 WeakPolarHBondContact O-CB 3.24Å; F843-T847 WeakPolarHBondContact O-CG2 3.44Å; F843-T847 PolarHBondContact O-N 2.93Å; F843-T847 PolarHBondContact O-OG1 3.12Å; A844-T847 PolarHBondContact O-OG1 3.13Å; T847-A849 VanDerWaalsContact C-N 3.27Å; T847-A849 PolarHBondContact O-N 3.18Å; T847-Q850 PolarHBondContact O-N 2.91Å
848	V	46.4	Very low	62.9	Low	111 Å²	111	49.4 Å²	49.4	67%	0.673	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15	179.2	179.4	0	0	0	0	112.5	A844 Q850	A844-V848 VanDerWaalsContact O-CB 3.28Å; A844-V848 WeakPolarHBondContact O-CB 3.15Å; A844-V848 VanDerWaalsContact O-CG2 3.24Å; A844-V848 WeakPolarHBondContact O-CG2 3.37Å; A844-V848 PolarHBondContact O-N 3.33Å; V848-Q850 VanDerWaalsContact C-N 3.34Å
849	A	39.9	Very low	61.8	Low	65 Å²	65	47.7 Å²	47.7	54%	0.537	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.7	176	0	0	0	0	0	114.1	K567 E845 T847	K567-A849 VanDerWaalsContact NZ-CB 3.3Å; E845-A849 WeakPolarHBondContact O-CB 3.41Å; T847-A849 VanDerWaalsContact C-N 3.27Å; T847-A849 PolarHBondContact O-N 3.18Å
850	Q	35.7	Very low	60.2	Low	171 Å²	171	51.6 Å²	51.6	80%	0.799	28%	0.279	S	S	*	.			trans	-95.7	0	163.9	-73	-167.1	-17.8	0	0	109	V518 T847 V848	V518-Q850 VanDerWaalsContact CG2-NE2 3.25Å; T847-Q850 PolarHBondContact O-N 2.91Å; V848-Q850 VanDerWaalsContact C-N 3.34Å

Retrieved 850 of 850 residues in 572.7 ms (Link to these results)

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