A0A3Q0KEL0_SCHMA Loading...

DNA replication licensing factor MCM3

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A3Q0KEL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 820 aa.

						>A0A3Q0KEL0_SCHMA|A0A3Q0KEL0
MDHSLIESEREYVEFLDEMDEYKDRINSLITRDGIRLMININDLRRQNSGRAKKLLENTCSEIVACQRAIKKCIQNTNPDFAKTKHEFFVGFEGSFGSRHVTPRTLNSKLLGNMVCLEGIVTKASLIHPKVVCSVHYCPATKKTIERRYADLTSLEPYPSVGAYPTKDDEGNLLETEYGLSVYSDHQTITIQEMPETAPAGQLPRSIDALLDNDLVDAVQPGDRVQIVGHYRCLPGKKNGFTTANFRTVIIANNVQSLSKETGPSFSEKDISMMRLISKRNDVISLLTRSIAPSICGHEHIKEAILLLLLGGVERQLTNGSRIRGDINLLLMGDPSVAKSQFLRFVLHIAHRAIATTGRGSSGVGLTAAVTTDMETGERSLEAGAMVLADRGIVCIDEFDKMSDIDRTAIHEVMEQGRVTISKAGIQAKLNARCSVLAAANPVYGKYDQYKTPMENIGLQDSLLSRFDLLFIVLDKADPDSDRAIAEHVLKIHRYRGPGEQEVEALPLHCAAHLLTTGADPLNIVSQDDYDDLDGNSSRTHEEDEVYEQQNEFLLPSRGRKQDQLTIKFLQKYLHVARQLKPQLTKEAASILAEKYCDLRAQEASETMSRPNRVEQNRMRRTQPITARSLETLIRLSTAHAKARMSKTVTKKDAEAAVQLISFVLFKEVLEKTKRKRDRNLDNDDDDDKDSDEGENADDTKRDHSQQPAKRRPVATGNHSAPDPNDPYAFTEDPTVTRTEPLAETVPISSALHQERTSQLSTMISRIFQERHIEQLTVTEITNVVRSRGGGFSQSDVRITLESMHRDNRIMLAGDDVWLI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	77	Confident	194 Å²	194	88.5 Å²	88.5	96%	0.956	43%	0.429	S	S	*	.				0	87	0	-80	-63.1	-109.5	0	0	106.2
2	D	62.4	Low	77.7	Confident	108 Å²	108	81.7 Å²	81.7	58%	0.578	40%	0.396	S	S	*	.			trans	-100.2	145.6	-143.9	-46.4	-31.5	0	0	0	110.2	S4 L5	D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.09Å; D2-L5 PolarHBondContact O-N 3.03Å
3	H	75.2	Confident	78.3	Confident	169 Å²	169	77.8 Å²	77.8	78%	0.782	38%	0.38	S	S	*	.	H	α-helix	trans	-55.2	-33.9	-174.4	-75	-76.9	0	0	0	112.4	L5 I6 E7	H3-L5 VanDerWaalsContact C-N 3.29Å; H3-L5 PolarHBondContact O-N 2.97Å; H3-I6 PolarHBondContact O-N 2.94Å; H3-E7 WeakPolarHBondContact O-CB 3.37Å; H3-E7 PolarHBondContact O-N 3.23Å
4	S	76.1	Confident	78.8	Confident	60 Å²	60	79.9 Å²	79.9	42%	0.42	39%	0.389	S	S	.	.	H	α-helix	trans	-58.2	-31.4	174.3	48.9	0	0	0	0	114.8	D2 S8	D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.09Å; S4-S8 WeakPolarHBondContact O-CB 3.4Å; S4-S8 PolarHBondContact O-N 3.16Å; S4-S8 PolarHBondContact O-OG 3.32Å
5	L	78	Confident	79.1	Confident	42 Å²	42	74.8 Å²	74.8	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-75.8	-36.3	178.4	-154.6	166.7	0	0	0	110.4	D2 H3 E9 A65	D2-L5 PolarHBondContact O-N 3.03Å; H3-L5 VanDerWaalsContact C-N 3.29Å; H3-L5 PolarHBondContact O-N 2.97Å; L5-E9 VanDerWaalsContact O-CB 3.29Å; L5-E9 WeakPolarHBondContact O-CB 3.39Å; L5-E9 PolarHBondContact O-N 3.32Å; L5-A65 HydrophobicContact CD2-CB 4.03Å
6	I	82.8	Confident	79.3	Confident	82 Å²	82	70.3 Å²	70.3	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-72	-35.4	174	-57.2	173.2	0	0	0	110.6	H3 R10	H3-I6 PolarHBondContact O-N 2.94Å; I6-R10 WeakPolarHBondContact O-CG 3.39Å; I6-R10 PolarHBondContact O-N 3.34Å; I6-R10 VanDerWaalsContact O-N 3.16Å
7	E	84.6	Confident	79.3	Confident	100 Å²	100	71.1 Å²	71.1	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-56.9	173.1	-161	-165.8	-170.3	0	0	110.6	H3 E9 R10 E11 R51	H3-E7 WeakPolarHBondContact O-CB 3.37Å; H3-E7 PolarHBondContact O-N 3.23Å; E7-E9 VanDerWaalsContact C-N 3.3Å; E7-E9 PolarHBondContact O-N 2.75Å; E7-R10 WeakPolarHBondContact O-CB 3.29Å; E7-R10 PolarHBondContact O-N 3.01Å; E7-E11 WeakPolarHBondContact CG-OE1 3.5Å; E7-E11 PolarHBondContact O-N 2.87Å; E7-R51 IonicContact OE2-NH1 3.7Å
8	S	82.9	Confident	79.3	Confident	2 Å²	2	74 Å²	74	1%	0.014	36%	0.361	C	S	.	.	H	α-helix	trans	-57.7	-38.5	174.4	-77.8	0	0	0	0	112.8	S4 R10 E11 Y12 R51 E62	S4-S8 WeakPolarHBondContact O-CB 3.4Å; S4-S8 PolarHBondContact O-N 3.16Å; S4-S8 PolarHBondContact O-OG 3.32Å; S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 PolarHBondContact O-N 3.15Å; S8-E11 PolarHBondContact O-N 2.85Å; S8-Y12 WeakPolarHBondContact O-CB 3.39Å; S8-Y12 WeakPolarHBondContact O-CD2 3.31Å; S8-Y12 PolarHBondContact O-N 3.17Å; S8-R51 PolarHBondContact OG-NH1 3.36Å; S8-E62 WeakPolarHBondContact CB-OE2 3.45Å; S8-E62 PolarHBondContact OG-OE1 3.3Å; S8-E62 PolarHBondContact OG-OE2 3.24Å
9	E	86.2	Confident	79	Confident	26 Å²	26	74.1 Å²	74.1	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-36.5	176.5	-170.9	-171.9	-148.3	0	0	112.1	L5 E7 V13 R68 A69 K72	L5-E9 VanDerWaalsContact O-CB 3.29Å; L5-E9 WeakPolarHBondContact O-CB 3.39Å; L5-E9 PolarHBondContact O-N 3.32Å; E7-E9 VanDerWaalsContact C-N 3.3Å; E7-E9 PolarHBondContact O-N 2.75Å; E9-V13 WeakPolarHBondContact O-CG2 3.36Å; E9-V13 PolarHBondContact O-N 2.85Å; E9-R68 HydrophobicContact CG-CB 4.41Å; E9-R68 VanDerWaalsContact OE1-CB 3.29Å; E9-R68 WeakPolarHBondContact OE1-CB 3.3Å; E9-A69 HydrophobicContact CG-CB 4.33Å; E9-K72 VanDerWaalsContact OE1-CE 3.27Å; E9-K72 WeakPolarHBondContact OE1-CE 3.37Å; E9-K72 IonicContact OE1-NZ 2.65Å; E9-K72 PolarHBondContact OE1-NZ 2.76Å; E9-K72 IonicContact OE2-NZ 2.68Å; E9-K72 PolarHBondContact OE2-NZ 3.26Å
10	R	85.9	Confident	78.9	Confident	163 Å²	163	75.7 Å²	75.7	62%	0.615	37%	0.372	S	S	*	.	H	α-helix	trans	-70.8	-48.7	174.7	-70.2	172.5	-179.5	-166.5	-1.8	111.8	I6 E7 S8 Y12 V13 E14	I6-R10 WeakPolarHBondContact O-CG 3.39Å; I6-R10 PolarHBondContact O-N 3.34Å; I6-R10 VanDerWaalsContact O-N 3.16Å; E7-R10 WeakPolarHBondContact O-CB 3.29Å; E7-R10 PolarHBondContact O-N 3.01Å; S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 PolarHBondContact O-N 3.15Å; R10-Y12 PolarHBondContact O-N 3.47Å; R10-V13 PolarHBondContact O-N 2.82Å; R10-E14 WeakPolarHBondContact O-CG 3.48Å; R10-E14 PolarHBondContact O-N 2.75Å
11	E	84.5	Confident	79	Confident	28 Å²	28	78 Å²	78	13%	0.131	38%	0.382	C	S	.	.	H	α-helix	trans	-56.4	-32.9	176.8	-69.7	169.2	-108.1	0	0	111.8	E7 S8 F15 R51	E7-E11 WeakPolarHBondContact CG-OE1 3.5Å; E7-E11 PolarHBondContact O-N 2.87Å; S8-E11 PolarHBondContact O-N 2.85Å; E11-F15 WeakPolarHBondContact O-CB 3.22Å; E11-F15 PolarHBondContact O-N 2.83Å; E11-R51 HydrophobicContact CB-CG 4.42Å; E11-R51 IonicContact OE1-CZ 2.73Å; E11-R51 IonicContact OE1-NE 2.58Å; E11-R51 IonicContact OE1-NH1 3.95Å; E11-R51 PolarHBondContact OE1-NH1 2.93Å; E11-R51 IonicContact OE1-NH2 2.69Å; E11-R51 PolarHBondContact OE1-NH2 3.48Å; E11-R51 WeakPolarHBondContact OE2-CD 3.46Å; E11-R51 WeakPolarHBondContact OE2-CG 3.45Å; E11-R51 IonicContact OE2-CZ 3.88Å; E11-R51 IonicContact OE2-NE 2.82Å; E11-R51 PolarHBondContact OE2-NE 2.98Å; E11-R51 IonicContact OE2-NH1 2.72Å; E11-R51 IonicContact OE2-NH2 3.52Å; E11-R51 PolarHBondContact OE2-NH2 2.89Å
12	Y	85.8	Confident	80.6	Confident	6 Å²	6	68.8 Å²	68.8	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-77.5	-29.1	173.6	-75	-53.7	0	0	0	114.7	S8 R10 L16 L44 L55 E62 A65 C66	S8-Y12 WeakPolarHBondContact O-CB 3.39Å; S8-Y12 WeakPolarHBondContact O-CD2 3.31Å; S8-Y12 PolarHBondContact O-N 3.17Å; R10-Y12 PolarHBondContact O-N 3.47Å; Y12-L16 WeakPolarHBondContact O-CD1 3.44Å; Y12-L16 VanDerWaalsContact O-CG 3.23Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 2.99Å; Y12-L44 HydrophobicContact CE1-CD1 4.02Å; Y12-L44 HydrophobicContact CE1-CD2 4.23Å; Y12-L55 WeakPolarHBondContact OH-CD1 3.18Å; Y12-E62 HydrophobicContact CE2-CB 4.45Å; Y12-A65 HydrophobicContact CD2-CB 4.19Å; Y12-A65 HydrophobicContact CE2-CB 4.31Å; Y12-C66 HydrophobicContact CD1-CB 4.39Å; Y12-C66 HydrophobicContact CD2-CB 3.97Å; Y12-C66 HydrophobicContact CE2-CB 4.12Å; Y12-C66 HydrophobicContact CG-CB 4.15Å
13	V	85.6	Confident	81.5	Confident	31 Å²	31	67.1 Å²	67.1	19%	0.188	32%	0.324	C	S	.	.	H	α-helix	trans	-70.7	-45.1	170.9	170.7	0	0	0	0	109.9	E9 R10 F15 L16 D17 A69	E9-V13 WeakPolarHBondContact O-CG2 3.36Å; E9-V13 PolarHBondContact O-N 2.85Å; R10-V13 PolarHBondContact O-N 2.82Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-F15 PolarHBondContact O-N 2.68Å; V13-L16 PolarHBondContact O-N 2.95Å; V13-L16 VanDerWaalsContact O-N 3.07Å; V13-D17 PolarHBondContact O-N 2.86Å; V13-A69 HydrophobicContact CG2-CB 3.75Å
14	E	84.6	Confident	82	Confident	108 Å²	108	64 Å²	64	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-57.8	-45.6	176.5	-69.9	160.8	-170	0	0	111.1	R10 L16 D17 E18	R10-E14 WeakPolarHBondContact O-CG 3.48Å; R10-E14 PolarHBondContact O-N 2.75Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.83Å; E14-D17 PolarHBondContact O-N 3.35Å; E14-E18 PolarHBondContact O-N 2.85Å
15	F	84.1	Confident	82.2	Confident	3 Å²	3	64.2 Å²	64.2	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-55.9	-39.9	172.8	174.2	-87.6	0	0	0	113.8	E11 V13 Y22 I39 D43 L44	E11-F15 WeakPolarHBondContact O-CB 3.22Å; E11-F15 PolarHBondContact O-N 2.83Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-F15 PolarHBondContact O-N 2.68Å; F15-Y22 HydrophobicContact CE1-CD2 4.05Å; F15-Y22 AromaticContact CE1-CE2 3.86Å; F15-Y22 HydrophobicContact CE1-CE2 3.86Å; F15-Y22 HydrophobicContact CZ-CD2 4.29Å; F15-Y22 AromaticContact CZ-CE2 3.72Å; F15-Y22 HydrophobicContact CZ-CE2 3.72Å; F15-I39 HydrophobicContact CE1-CG2 3.93Å; F15-I39 HydrophobicContact CZ-CG2 4.1Å; F15-D43 HydrophobicContact CE2-CB 4.2Å; F15-D43 HydrophobicContact CZ-CB 4.14Å; F15-L44 HydrophobicContact CD2-CD1 3.76Å; F15-L44 HydrophobicContact CE2-CB 4Å; F15-L44 HydrophobicContact CE2-CD1 4Å; F15-L44 HydrophobicContact CG-CD1 4.29Å; F15-L44 HydrophobicContact CZ-CB 4.4Å
16	L	82.3	Confident	82.5	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-78.6	-28.4	-179.2	-69	167.7	0	0	0	112.8	Y12 V13 E14 Y22 L37 I70	Y12-L16 WeakPolarHBondContact O-CD1 3.44Å; Y12-L16 VanDerWaalsContact O-CG 3.23Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 2.99Å; V13-L16 PolarHBondContact O-N 2.95Å; V13-L16 VanDerWaalsContact O-N 3.07Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.83Å; L16-Y22 HydrophobicContact CD2-CD1 4.5Å; L16-Y22 HydrophobicContact CD2-CG 4.28Å; L16-L37 HydrophobicContact CD2-CD2 4.05Å; L16-I70 HydrophobicContact CD1-CG1 3.62Å
17	D	79.2	Confident	82.6	Confident	83 Å²	83	62 Å²	62	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-85.9	-26.1	179.4	-77.3	-21.6	0	0	0	113.2	V13 E14 K23	V13-D17 PolarHBondContact O-N 2.86Å; E14-D17 PolarHBondContact O-N 3.35Å; D17-K23 WeakPolarHBondContact O-CE 3.45Å; D17-K23 PolarHBondContact O-NZ 2.87Å
18	E	78.6	Confident	82.5	Confident	124 Å²	124	60 Å²	60	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-71.8	-31.5	176.1	-80.2	-169	-173.7	0	0	113.8	E14 Q47	E14-E18 PolarHBondContact O-N 2.85Å; E18-Q47 PolarHBondContact OE2-NE2 3.2Å
19	M	74.7	Confident	82.5	Confident	76 Å²	76	60.6 Å²	60.6	37%	0.374	29%	0.294	S	S	.	.			trans	-109.7	104.4	-167.8	-69.5	-72.5	96	0	0	112	E21 Y22	M19-E21 PolarHBondContact O-N 3.21Å; M19-E21 VanDerWaalsContact O-N 3.15Å; M19-Y22 HydrophobicContact CB-CD2 3.71Å; M19-Y22 HydrophobicContact CB-CE2 4.39Å; M19-Y22 HydrophobicContact CG-CD2 4.44Å; M19-Y22 PolarHBondContact O-N 2.85Å
20	D	76.9	Confident	82.3	Confident	106 Å²	106	60.9 Å²	60.9	57%	0.567	30%	0.296	S	S	*	.	H	α-helix	trans	-59.5	-28.2	-177.8	-67.5	-35.6	0	0	0	113.7	Y22 K23 D24	D20-Y22 PolarHBondContact O-N 3.39Å; D20-K23 WeakPolarHBondContact O-CB 3.39Å; D20-K23 PolarHBondContact O-N 3.48Å; D20-K23 VanDerWaalsContact O-N 3.07Å; D20-K23 WeakPolarHBondContact OD1-CD 3.21Å; D20-K23 WeakPolarHBondContact OD1-CE 3.28Å; D20-K23 IonicContact OD1-NZ 3.39Å; D20-K23 PolarHBondContact OD1-NZ 2.89Å; D20-D24 PolarHBondContact O-N 3.16Å
21	E	80.8	Confident	82.3	Confident	124 Å²	124	59 Å²	59	58%	0.579	30%	0.302	S	S	*	.	H	α-helix	trans	-53.7	-39.7	170.3	-78.9	-163.6	-139.8	0	0	113	M19 D24 R25	M19-E21 PolarHBondContact O-N 3.21Å; M19-E21 VanDerWaalsContact O-N 3.15Å; E21-D24 PolarHBondContact O-N 3.4Å; E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.07Å; E21-R25 IonicContact OE2-CZ 3.97Å; E21-R25 IonicContact OE2-NE 2.92Å; E21-R25 IonicContact OE2-NH2 3.98Å; E21-R25 PolarHBondContact OE2-NH2 2.83Å
22	Y	81.1	Confident	82.2	Confident	1 Å²	1	67.4 Å²	67.4	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-74.4	-28.8	179.8	-73.4	-70.5	0	0	0	111.8	F15 L16 M19 D20 R25 I26 M38 I39 N40 D43	F15-Y22 HydrophobicContact CE1-CD2 4.05Å; F15-Y22 AromaticContact CE1-CE2 3.86Å; F15-Y22 HydrophobicContact CE1-CE2 3.86Å; F15-Y22 HydrophobicContact CZ-CD2 4.29Å; F15-Y22 AromaticContact CZ-CE2 3.72Å; F15-Y22 HydrophobicContact CZ-CE2 3.72Å; L16-Y22 HydrophobicContact CD2-CD1 4.5Å; L16-Y22 HydrophobicContact CD2-CG 4.28Å; M19-Y22 HydrophobicContact CB-CD2 3.71Å; M19-Y22 HydrophobicContact CB-CE2 4.39Å; M19-Y22 HydrophobicContact CG-CD2 4.44Å; M19-Y22 PolarHBondContact O-N 2.85Å; D20-Y22 PolarHBondContact O-N 3.39Å; Y22-R25 PolarHBondContact O-N 3.05Å; Y22-I26 WeakPolarHBondContact O-CB 3.2Å; Y22-I26 WeakPolarHBondContact O-CD1 3.27Å; Y22-I26 WeakPolarHBondContact O-CG1 3.39Å; Y22-I26 PolarHBondContact O-N 3.03Å; Y22-M38 WeakPolarHBondContact CE1-O 3.26Å; Y22-I39 HydrophobicContact CE1-CB 4.42Å; Y22-I39 HydrophobicContact CE1-CG1 4.17Å; Y22-N40 PolarHBondContact OH-N 2.93Å; Y22-D43 PolarHBondContact OH-OD2 3.16Å
23	K	81.9	Confident	81.8	Confident	72 Å²	72	72 Å²	72	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-44.1	171.4	-57.5	172.5	-164.3	155.8	0	110.6	D17 D20 I26 N27	D17-K23 WeakPolarHBondContact O-CE 3.45Å; D17-K23 PolarHBondContact O-NZ 2.87Å; D20-K23 WeakPolarHBondContact O-CB 3.39Å; D20-K23 PolarHBondContact O-N 3.48Å; D20-K23 VanDerWaalsContact O-N 3.07Å; D20-K23 WeakPolarHBondContact OD1-CD 3.21Å; D20-K23 WeakPolarHBondContact OD1-CE 3.28Å; D20-K23 IonicContact OD1-NZ 3.39Å; D20-K23 PolarHBondContact OD1-NZ 2.89Å; K23-I26 PolarHBondContact O-N 3.01Å; K23-N27 WeakPolarHBondContact O-CB 3.41Å; K23-N27 VanDerWaalsContact O-CG 3.23Å; K23-N27 PolarHBondContact O-N 2.67Å; K23-N27 PolarHBondContact O-ND2 2.87Å
24	D	84.8	Confident	81.5	Confident	105 Å²	105	71.4 Å²	71.4	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-68.3	-35.1	175.5	-81.3	-14.3	0	0	0	113.1	D20 E21 S28	D20-D24 PolarHBondContact O-N 3.16Å; E21-D24 PolarHBondContact O-N 3.4Å; D24-S28 VanDerWaalsContact O-CB 3.25Å; D24-S28 WeakPolarHBondContact O-CB 3.42Å; D24-S28 PolarHBondContact O-N 2.9Å; D24-S28 PolarHBondContact O-OG 3.34Å
25	R	82.2	Confident	81.5	Confident	64 Å²	64	68.5 Å²	68.5	24%	0.242	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-38.6	169.3	-69.6	170.4	-161	-159.9	12.5	111.6	E21 Y22 S28 L29 L37 M38	E21-R25 WeakPolarHBondContact O-CB 3.47Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.07Å; E21-R25 IonicContact OE2-CZ 3.97Å; E21-R25 IonicContact OE2-NE 2.92Å; E21-R25 IonicContact OE2-NH2 3.98Å; E21-R25 PolarHBondContact OE2-NH2 2.83Å; Y22-R25 PolarHBondContact O-N 3.05Å; R25-S28 PolarHBondContact O-N 3.17Å; R25-L29 VanDerWaalsContact O-CB 3.28Å; R25-L29 WeakPolarHBondContact O-CB 3.23Å; R25-L29 PolarHBondContact O-N 2.83Å; R25-L37 HydrophobicContact CB-CD1 4.03Å; R25-M38 PolarHBondContact NH1-O 3.21Å
26	I	83.6	Confident	81.6	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-44.8	175.3	-72.9	163.5	0	0	0	111.3	Y22 K23 S28 L29 I30 L37 I74	Y22-I26 WeakPolarHBondContact O-CB 3.2Å; Y22-I26 WeakPolarHBondContact O-CD1 3.27Å; Y22-I26 WeakPolarHBondContact O-CG1 3.39Å; Y22-I26 PolarHBondContact O-N 3.03Å; K23-I26 PolarHBondContact O-N 3.01Å; I26-S28 VanDerWaalsContact C-N 3.28Å; I26-S28 PolarHBondContact O-N 2.98Å; I26-L29 WeakPolarHBondContact O-CB 3.23Å; I26-L29 PolarHBondContact O-N 2.87Å; I26-L29 VanDerWaalsContact O-N 3.12Å; I26-I30 HydrophobicContact CG2-CD1 3.97Å; I26-I30 WeakPolarHBondContact O-CG1 3.36Å; I26-I30 PolarHBondContact O-N 2.66Å; I26-L37 HydrophobicContact CD1-CD2 4.29Å; I26-L37 HydrophobicContact CG1-CD1 4.02Å; I26-L37 HydrophobicContact CG1-CD2 4.06Å; I26-I74 HydrophobicContact CG2-CG1 4.07Å
27	N	84	Confident	81.8	Confident	70 Å²	70	70 Å²	70	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-40	174	-69.5	-31	0	0	0	111.6	K23 T31	K23-N27 WeakPolarHBondContact O-CB 3.41Å; K23-N27 VanDerWaalsContact O-CG 3.23Å; K23-N27 PolarHBondContact O-N 2.67Å; K23-N27 PolarHBondContact O-ND2 2.87Å; N27-T31 WeakPolarHBondContact O-CB 3.43Å; N27-T31 PolarHBondContact O-N 3.26Å; N27-T31 PolarHBondContact O-OG1 2.95Å
28	S	82.4	Confident	82.1	Confident	57 Å²	57	68.6 Å²	68.6	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-67.8	-36.7	174.3	-61.7	0	0	0	0	112.6	D24 R25 I26 T31 R32	D24-S28 VanDerWaalsContact O-CB 3.25Å; D24-S28 WeakPolarHBondContact O-CB 3.42Å; D24-S28 PolarHBondContact O-N 2.9Å; D24-S28 PolarHBondContact O-OG 3.34Å; R25-S28 PolarHBondContact O-N 3.17Å; I26-S28 VanDerWaalsContact C-N 3.28Å; I26-S28 PolarHBondContact O-N 2.98Å; S28-T31 PolarHBondContact O-N 3.33Å; S28-R32 WeakPolarHBondContact O-CB 3.38Å; S28-R32 VanDerWaalsContact O-CG 3.27Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 2.93Å; S28-R32 VanDerWaalsContact O-N 3.11Å
29	L	82.7	Confident	82.4	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-45.8	175.4	174.4	153	0	0	0	111.1	R25 I26 T31 R32 D33 G34 L37 I74 F81	R25-L29 VanDerWaalsContact O-CB 3.28Å; R25-L29 WeakPolarHBondContact O-CB 3.23Å; R25-L29 PolarHBondContact O-N 2.83Å; I26-L29 WeakPolarHBondContact O-CB 3.23Å; I26-L29 PolarHBondContact O-N 2.87Å; I26-L29 VanDerWaalsContact O-N 3.12Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 2.75Å; L29-R32 CarbonylContact O-C 3.47Å; L29-R32 PolarHBondContact O-N 3.45Å; L29-R32 VanDerWaalsContact O-N 3.16Å; L29-D33 PolarHBondContact O-N 2.86Å; L29-D33 VanDerWaalsContact O-N 3.08Å; L29-G34 VanDerWaalsContact CD2-O 3.23Å; L29-G34 WeakPolarHBondContact CD2-O 3.33Å; L29-G34 WeakPolarHBondContact CG-O 3.45Å; L29-G34 PolarHBondContact O-N 3.31Å; L29-L37 HydrophobicContact CD1-CB 4.1Å; L29-L37 HydrophobicContact CD1-CD1 4.24Å; L29-I74 HydrophobicContact CD2-CD1 4.28Å; L29-F81 HydrophobicContact CD2-CE1 3.94Å; L29-F81 HydrophobicContact CD2-CZ 4.47Å
30	I	82.6	Confident	83	Confident	32 Å²	32	60.6 Å²	60.6	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-43.2	175.2	-66.1	164.6	0	0	0	110.2	I26 R32 D33 T77 F81	I26-I30 HydrophobicContact CG2-CD1 3.97Å; I26-I30 WeakPolarHBondContact O-CG1 3.36Å; I26-I30 PolarHBondContact O-N 2.66Å; I30-R32 PolarHBondContact O-N 3.31Å; I30-D33 PolarHBondContact O-N 3.46Å; I30-T77 HydrophobicContact CD1-CG2 4.19Å; I30-F81 HydrophobicContact CG1-CD1 4.01Å; I30-F81 HydrophobicContact CG1-CE1 4.18Å
31	T	85.6	Confident	83.3	Confident	123 Å²	123	55.6 Å²	55.6	76%	0.755	28%	0.279	S	S	*	.	H	α-helix	trans	-66.6	-20.8	178.5	-57.3	0	0	0	0	113.4	N27 S28 L29	N27-T31 WeakPolarHBondContact O-CB 3.43Å; N27-T31 PolarHBondContact O-N 3.26Å; N27-T31 PolarHBondContact O-OG1 2.95Å; S28-T31 PolarHBondContact O-N 3.33Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 2.75Å
32	R	82.1	Confident	83.5	Confident	206 Å²	206	51.2 Å²	51.2	78%	0.777	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	3.9	178.6	-69.1	176.4	-176.8	-176.7	3.9	113.6	S28 L29 I30 G34	S28-R32 WeakPolarHBondContact O-CB 3.38Å; S28-R32 VanDerWaalsContact O-CG 3.27Å; S28-R32 WeakPolarHBondContact O-CG 3.32Å; S28-R32 PolarHBondContact O-N 2.93Å; S28-R32 VanDerWaalsContact O-N 3.11Å; L29-R32 CarbonylContact O-C 3.47Å; L29-R32 PolarHBondContact O-N 3.45Å; L29-R32 VanDerWaalsContact O-N 3.16Å; I30-R32 PolarHBondContact O-N 3.31Å; R32-G34 PolarHBondContact O-N 3.13Å; R32-G34 VanDerWaalsContact O-N 3.12Å
33	D	78.8	Confident	83.7	Confident	101 Å²	101	52.6 Å²	52.6	54%	0.54	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	28	-167.1	-75	-48.8	0	0	0	113.7	L29 I30 F81 K85	L29-D33 PolarHBondContact O-N 2.86Å; L29-D33 VanDerWaalsContact O-N 3.08Å; I30-D33 PolarHBondContact O-N 3.46Å; D33-F81 VanDerWaalsContact OD1-CE2 3.29Å; D33-F81 WeakPolarHBondContact OD1-CE2 3.5Å; D33-K85 PolarHBondContact O-NZ 3.15Å
34	G	79.6	Confident	83.7	Confident	19 Å²	19	49.4 Å²	49.4	20%	0.196	25%	0.253	C	S	.	.			trans	-64.6	149.2	-177.5	0	0	0	0	0	112.6	L29 R32	L29-G34 VanDerWaalsContact CD2-O 3.23Å; L29-G34 WeakPolarHBondContact CD2-O 3.33Å; L29-G34 WeakPolarHBondContact CG-O 3.45Å; L29-G34 PolarHBondContact O-N 3.31Å; R32-G34 PolarHBondContact O-N 3.13Å; R32-G34 VanDerWaalsContact O-N 3.12Å
35	I	83.1	Confident	83.7	Confident	47 Å²	47	48.4 Å²	48.4	24%	0.241	24%	0.241	C	C	.	.	S	Bend	trans	-105.6	-19.3	178.5	-41.5	-174	0	0	0	111.5	K85 E87 F89	I35-K85 HydrophobicContact CD1-CD 4.32Å; I35-K85 HydrophobicContact CG1-CD 4.07Å; I35-E87 WeakPolarHBondContact CG2-O 3.28Å; I35-F89 HydrophobicContact CG2-CD2 3.74Å; I35-F89 HydrophobicContact CG2-CE2 4.1Å; I35-F89 PolarHBondContact O-N 3.15Å
36	R	86.1	Confident	83.8	Confident	33 Å²	33	52.6 Å²	52.6	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.2	-171.6	-161.6	178.9	-53.1	-108.6	-4.3	111.4	F89 D212 L215 N253	R36-F89 WeakPolarHBondContact CA-O 3.5Å; R36-F89 HydrophobicContact CB-CB 4.32Å; R36-F89 HydrophobicContact CG-CB 4.03Å; R36-D212 PolarHBondContact NH2-O 3.23Å; R36-L215 VanDerWaalsContact NH1-CD1 3.3Å; R36-N253 WeakPolarHBondContact CD-O 3.36Å; R36-N253 PolarHBondContact NH1-O 2.76Å
37	L	87.2	Confident	83.6	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.5	173.5	-174	65.1	0	0	0	110.3	L16 R25 I26 L29 I39 I70 F89 G91	L16-L37 HydrophobicContact CD2-CD2 4.05Å; R25-L37 HydrophobicContact CB-CD1 4.03Å; I26-L37 HydrophobicContact CD1-CD2 4.29Å; I26-L37 HydrophobicContact CG1-CD1 4.02Å; I26-L37 HydrophobicContact CG1-CD2 4.06Å; L29-L37 HydrophobicContact CD1-CB 4.1Å; L29-L37 HydrophobicContact CD1-CD1 4.24Å; L37-I39 HydrophobicContact CD2-CD1 4.4Å; L37-I39 HydrophobicContact CD2-CG1 4.33Å; L37-I39 HydrophobicContact CG-CG1 4.35Å; L37-I70 HydrophobicContact CB-CD1 4.26Å; L37-I70 HydrophobicContact CD2-CD1 3.93Å; L37-I70 HydrophobicContact CD2-CG1 4.01Å; L37-I70 HydrophobicContact CD2-CG2 4.44Å; L37-F89 PolarHBondContact N-O 3.41Å; L37-G91 PolarHBondContact O-N 2.8Å
38	M	85.3	Confident	83.4	Confident	54 Å²	54	54 Å²	54	27%	0.266	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.8	178.1	-67.4	-51.7	-53.8	0	0	111.3	Y22 R25 G91 E93 N254	Y22-M38 WeakPolarHBondContact CE1-O 3.26Å; R25-M38 PolarHBondContact NH1-O 3.21Å; M38-G91 WeakPolarHBondContact CA-O 3.35Å; M38-E93 HydrophobicContact CE-CB 4.08Å; M38-N254 HydrophobicContact CE-CB 4.2Å; M38-N254 WeakPolarHBondContact CE-ND2 3.47Å
39	I	85.9	Confident	83.4	Confident	4 Å²	4	54 Å²	54	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.1	-178.6	-61.2	-176.7	0	0	0	111.1	F15 Y22 L37 I70 V90 G91 F92 E93	F15-I39 HydrophobicContact CE1-CG2 3.93Å; F15-I39 HydrophobicContact CZ-CG2 4.1Å; Y22-I39 HydrophobicContact CE1-CB 4.42Å; Y22-I39 HydrophobicContact CE1-CG1 4.17Å; L37-I39 HydrophobicContact CD2-CD1 4.4Å; L37-I39 HydrophobicContact CD2-CG1 4.33Å; L37-I39 HydrophobicContact CG-CG1 4.35Å; I39-I70 HydrophobicContact CD1-CD1 4.2Å; I39-V90 HydrophobicContact CB-CG1 4.39Å; I39-V90 HydrophobicContact CD1-CG1 3.81Å; I39-V90 HydrophobicContact CG1-CG1 4.08Å; I39-G91 PolarHBondContact N-O 2.87Å; I39-F92 HydrophobicContact CB-CD1 4.4Å; I39-F92 HydrophobicContact CB-CE1 4.44Å; I39-E93 PolarHBondContact O-N 2.74Å
40	N	85.7	Confident	83.5	Confident	28 Å²	28	55.6 Å²	55.6	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.6	174	-63.3	-27.8	0	0	0	111	Y22 N42 D43 L44 E93	Y22-N40 PolarHBondContact OH-N 2.93Å; N40-N42 PolarHBondContact O-N 3.25Å; N40-D43 HydrophobicContact CB-CB 4.48Å; N40-D43 WeakPolarHBondContact CB-OD2 3.47Å; N40-D43 PolarHBondContact ND2-OD2 3.35Å; N40-D43 PolarHBondContact O-N 2.99Å; N40-L44 PolarHBondContact O-N 3.26Å; N40-E93 CarbonylContact C-O 3.59Å; N40-E93 VanDerWaalsContact CA-O 3.29Å; N40-E93 WeakPolarHBondContact CA-O 3.21Å
41	I	84.9	Confident	83.4	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-25.8	173.4	-65.9	178.4	0	0	0	111.4	L44 R45 L55 L56 F92 E93 F96	I41-L44 PolarHBondContact O-N 3.24Å; I41-R45 HydrophobicContact CG2-CG 4.44Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.39Å; I41-L55 HydrophobicContact CD1-CD2 4.38Å; I41-L56 HydrophobicContact CD1-CD2 4.32Å; I41-F92 HydrophobicContact CD1-CB 4.13Å; I41-F92 HydrophobicContact CG1-CB 4.39Å; I41-F92 HydrophobicContact CG1-CD1 4.2Å; I41-E93 PolarHBondContact N-O 3.11Å; I41-F96 HydrophobicContact CD1-CD1 4.28Å; I41-F96 HydrophobicContact CD1-CE1 3.38Å; I41-F96 HydrophobicContact CD1-CE2 4.36Å; I41-F96 HydrophobicContact CD1-CZ 3.41Å; I41-F96 VanDerWaalsContact CD1-CZ 3.41Å
42	N	84.4	Confident	83.3	Confident	32 Å²	32	49.2 Å²	49.2	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-42.4	176.2	-65	-1.9	0	0	0	111.2	N40 R45 R46 S95	N40-N42 PolarHBondContact O-N 3.25Å; N42-R45 WeakPolarHBondContact O-CB 3.39Å; N42-R45 PolarHBondContact O-N 2.7Å; N42-R46 PolarHBondContact O-N 2.82Å; N42-R46 VanDerWaalsContact O-N 3.1Å; N42-S95 PolarHBondContact OD1-N 2.97Å
43	D	84.2	Confident	83.4	Confident	30 Å²	30	45.6 Å²	45.6	16%	0.16	23%	0.233	C	C	.	.	H	α-helix	trans	-69.4	-42.7	178.1	-47.4	-12.8	0	0	0	109.9	F15 Y22 N40 R45 R46 Q47	F15-D43 HydrophobicContact CE2-CB 4.2Å; F15-D43 HydrophobicContact CZ-CB 4.14Å; Y22-D43 PolarHBondContact OH-OD2 3.16Å; N40-D43 HydrophobicContact CB-CB 4.48Å; N40-D43 WeakPolarHBondContact CB-OD2 3.47Å; N40-D43 PolarHBondContact ND2-OD2 3.35Å; N40-D43 PolarHBondContact O-N 2.99Å; D43-R45 PolarHBondContact O-N 2.95Å; D43-R46 WeakPolarHBondContact O-CB 3.33Å; D43-R46 PolarHBondContact O-N 3.11Å; D43-Q47 PolarHBondContact O-N 2.81Å; D43-Q47 VanDerWaalsContact O-N 3.07Å
44	L	82.8	Confident	83.7	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-29.8	174.6	-172.8	65.8	0	0	0	112.3	Y12 F15 N40 I41 N48 A52 L55	Y12-L44 HydrophobicContact CE1-CD1 4.02Å; Y12-L44 HydrophobicContact CE1-CD2 4.23Å; F15-L44 HydrophobicContact CD2-CD1 3.76Å; F15-L44 HydrophobicContact CE2-CB 4Å; F15-L44 HydrophobicContact CE2-CD1 4Å; F15-L44 HydrophobicContact CG-CD1 4.29Å; F15-L44 HydrophobicContact CZ-CB 4.4Å; N40-L44 PolarHBondContact O-N 3.26Å; I41-L44 PolarHBondContact O-N 3.24Å; L44-N48 HydrophobicContact CD1-CB 4.49Å; L44-N48 CarbonylContact O-C 3.48Å; L44-N48 VanDerWaalsContact O-CA 3.3Å; L44-N48 WeakPolarHBondContact O-CA 3.39Å; L44-N48 PolarHBondContact O-N 3.16Å; L44-A52 HydrophobicContact CD2-CB 4.47Å; L44-A52 HydrophobicContact CG-CB 4.26Å; L44-L55 HydrophobicContact CD2-CD1 4.02Å
45	R	84.5	Confident	84.1	Confident	85 Å²	85	43.8 Å²	43.8	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-71.9	-40	171.3	-76.9	175.5	-175.4	155.8	8.8	112.7	I41 N42 D43 S49 A52 S95	I41-R45 HydrophobicContact CG2-CG 4.44Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.39Å; N42-R45 WeakPolarHBondContact O-CB 3.39Å; N42-R45 PolarHBondContact O-N 2.7Å; D43-R45 PolarHBondContact O-N 2.95Å; R45-S49 PolarHBondContact O-N 3.07Å; R45-A52 HydrophobicContact CB-CB 4.43Å; R45-A52 HydrophobicContact CG-CB 3.59Å; R45-S95 PolarHBondContact NH1-O 3.48Å; R45-S95 PolarHBondContact NH2-O 3.28Å
46	R	84.3	Confident	84.3	Confident	151 Å²	151	42.1 Å²	42.1	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-62.4	-47.2	179.2	-77.1	178.3	170.3	160.4	-1.5	111.6	N42 D43 N523	N42-R46 PolarHBondContact O-N 2.82Å; N42-R46 VanDerWaalsContact O-N 3.1Å; D43-R46 WeakPolarHBondContact O-CB 3.33Å; D43-R46 PolarHBondContact O-N 3.11Å; R46-N523 PolarHBondContact NH2-O 2.81Å
47	Q	78.6	Confident	84.3	Confident	52 Å²	52	46.6 Å²	46.6	24%	0.243	23%	0.229	C	C	.	.	H	α-helix	trans	-78.6	-54.2	175.6	-70	-173.3	-13.9	0	0	112.5	E18 D43	E18-Q47 PolarHBondContact OE2-NE2 3.2Å; D43-Q47 PolarHBondContact O-N 2.81Å; D43-Q47 VanDerWaalsContact O-N 3.07Å
48	N	81.3	Confident	84.2	Confident	54 Å²	54	51 Å²	51	29%	0.289	25%	0.252	S	S	.	.	H	α-helix	trans	-134.3	62.2	-164.1	-91.3	-51.7	0	0	0	112.7	L44 G50 R51 A52	L44-N48 HydrophobicContact CD1-CB 4.49Å; L44-N48 CarbonylContact O-C 3.48Å; L44-N48 VanDerWaalsContact O-CA 3.3Å; L44-N48 WeakPolarHBondContact O-CA 3.39Å; L44-N48 PolarHBondContact O-N 3.16Å; N48-G50 PolarHBondContact O-N 3.24Å; N48-R51 HydrophobicContact CB-CB 4.27Å; N48-R51 HydrophobicContact CB-CG 4.42Å; N48-R51 PolarHBondContact O-N 3.23Å; N48-A52 PolarHBondContact O-N 3.17Å
49	S	82.6	Confident	84.1	Confident	58 Å²	58	48.4 Å²	48.4	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-44.7	-33	173.4	-174.2	0	0	0	0	114.1	R45 K53	R45-S49 PolarHBondContact O-N 3.07Å; S49-K53 WeakPolarHBondContact O-CG 3.32Å; S49-K53 PolarHBondContact O-N 3.43Å; S49-K53 VanDerWaalsContact O-N 3.15Å
50	G	83.5	Confident	84	Confident	48 Å²	48	49.5 Å²	49.5	50%	0.495	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-48.8	172.7	0	0	0	0	0	114.2	N48 K53 K54	N48-G50 PolarHBondContact O-N 3.24Å; G50-K53 PolarHBondContact O-N 3.42Å; G50-K54 PolarHBondContact O-N 3.02Å
51	R	80.8	Confident	83.9	Confident	20 Å²	20	50.1 Å²	50.1	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-38.6	173.5	-71.6	-54.4	108.5	126.9	34.7	111.6	E7 S8 E11 N48 K53 K54 L55	E7-R51 IonicContact OE2-NH1 3.7Å; S8-R51 PolarHBondContact OG-NH1 3.36Å; E11-R51 HydrophobicContact CB-CG 4.42Å; E11-R51 IonicContact OE1-CZ 2.73Å; E11-R51 IonicContact OE1-NE 2.58Å; E11-R51 IonicContact OE1-NH1 3.95Å; E11-R51 PolarHBondContact OE1-NH1 2.93Å; E11-R51 IonicContact OE1-NH2 2.69Å; E11-R51 PolarHBondContact OE1-NH2 3.48Å; E11-R51 WeakPolarHBondContact OE2-CD 3.46Å; E11-R51 WeakPolarHBondContact OE2-CG 3.45Å; E11-R51 IonicContact OE2-CZ 3.88Å; E11-R51 IonicContact OE2-NE 2.82Å; E11-R51 PolarHBondContact OE2-NE 2.98Å; E11-R51 IonicContact OE2-NH1 2.72Å; E11-R51 IonicContact OE2-NH2 3.52Å; E11-R51 PolarHBondContact OE2-NH2 2.89Å; N48-R51 HydrophobicContact CB-CB 4.27Å; N48-R51 HydrophobicContact CB-CG 4.42Å; N48-R51 PolarHBondContact O-N 3.23Å; R51-K53 PolarHBondContact O-N 2.85Å; R51-K54 PolarHBondContact O-N 3.24Å; R51-K54 VanDerWaalsContact O-N 3.11Å; R51-L55 WeakPolarHBondContact O-CB 3.37Å; R51-L55 PolarHBondContact O-N 3.28Å
52	A	82.8	Confident	84	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-36.9	177.1	0	0	0	0	0	111.9	L44 R45 N48 L56	L44-A52 HydrophobicContact CD2-CB 4.47Å; L44-A52 HydrophobicContact CG-CB 4.26Å; R45-A52 HydrophobicContact CB-CB 4.43Å; R45-A52 HydrophobicContact CG-CB 3.59Å; N48-A52 PolarHBondContact O-N 3.17Å; A52-L56 WeakPolarHBondContact O-CD1 3.34Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.11Å
53	K	85.3	Confident	84.1	Confident	129 Å²	129	49.2 Å²	49.2	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-69.7	-48.3	172	-69.6	171.3	-174.2	177.4	0	112.3	S49 G50 R51 L55 L56 E57	S49-K53 WeakPolarHBondContact O-CG 3.32Å; S49-K53 PolarHBondContact O-N 3.43Å; S49-K53 VanDerWaalsContact O-N 3.15Å; G50-K53 PolarHBondContact O-N 3.42Å; R51-K53 PolarHBondContact O-N 2.85Å; K53-L55 PolarHBondContact O-N 3.06Å; K53-L56 PolarHBondContact O-N 3.33Å; K53-E57 PolarHBondContact O-N 3.31Å
54	K	85.8	Confident	84.3	Confident	82 Å²	82	49.1 Å²	49.1	36%	0.357	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-45.2	178.4	-70.8	-176.3	-178.7	176.7	0	113.3	G50 R51 L56 E57 N58 E62	G50-K54 PolarHBondContact O-N 3.02Å; R51-K54 PolarHBondContact O-N 3.24Å; R51-K54 VanDerWaalsContact O-N 3.11Å; K54-L56 VanDerWaalsContact C-N 3.25Å; K54-L56 PolarHBondContact O-N 3.38Å; K54-E57 PolarHBondContact O-N 2.95Å; K54-E57 VanDerWaalsContact O-N 3.13Å; K54-N58 PolarHBondContact O-N 3.42Å; K54-E62 HydrophobicContact CB-CG 4.43Å; K54-E62 VanDerWaalsContact CB-OE1 3.31Å; K54-E62 WeakPolarHBondContact CB-OE1 3.47Å; K54-E62 WeakPolarHBondContact CD-OE1 3.41Å
55	L	87.4	Confident	84.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-36.8	178.1	175.5	150	0	0	0	112.3	Y12 I41 L44 R51 K53 T59 E62 F92 M114	Y12-L55 WeakPolarHBondContact OH-CD1 3.18Å; I41-L55 HydrophobicContact CD1-CD2 4.38Å; L44-L55 HydrophobicContact CD2-CD1 4.02Å; R51-L55 WeakPolarHBondContact O-CB 3.37Å; R51-L55 PolarHBondContact O-N 3.28Å; K53-L55 PolarHBondContact O-N 3.06Å; L55-T59 WeakPolarHBondContact O-CA 3.39Å; L55-T59 PolarHBondContact O-OG1 2.99Å; L55-E62 HydrophobicContact CB-CB 4.15Å; L55-E62 HydrophobicContact CB-CG 4.43Å; L55-E62 HydrophobicContact CG-CB 4.44Å; L55-F92 HydrophobicContact CD1-CD1 4.44Å; L55-F92 HydrophobicContact CD1-CE1 3.66Å; L55-F92 HydrophobicContact CD1-CZ 3.78Å; L55-M114 HydrophobicContact CD2-CG 4.16Å
56	L	86.3	Confident	84.6	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-71.3	-39.1	175.8	-71.2	174.9	0	0	0	111.5	I41 A52 K53 K54 F96 R99 N113 M114	I41-L56 HydrophobicContact CD1-CD2 4.32Å; A52-L56 WeakPolarHBondContact O-CD1 3.34Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.11Å; K53-L56 PolarHBondContact O-N 3.33Å; K54-L56 VanDerWaalsContact C-N 3.25Å; K54-L56 PolarHBondContact O-N 3.38Å; L56-F96 HydrophobicContact CD2-CD1 4.09Å; L56-F96 HydrophobicContact CD2-CE1 4.17Å; L56-R99 PolarHBondContact O-NH1 3.11Å; L56-R99 PolarHBondContact O-NH2 3.48Å; L56-N113 WeakPolarHBondContact O-CA 3.22Å; L56-N113 PolarHBondContact O-OD1 3.45Å; L56-M114 HydrophobicContact CD2-CB 3.78Å; L56-M114 HydrophobicContact CD2-CG 4.49Å; L56-M114 PolarHBondContact O-N 3.35Å; L56-M114 VanDerWaalsContact O-N 3.09Å
57	E	86.3	Confident	84.8	Confident	127 Å²	127	39.5 Å²	39.5	59%	0.593	21%	0.214	S	C	*	.	H	α-helix	trans	-83.6	-38.3	-176.3	-72.7	177.1	-179	0	0	115.7	K53 K54 N113	K53-E57 PolarHBondContact O-N 3.31Å; K54-E57 PolarHBondContact O-N 2.95Å; K54-E57 VanDerWaalsContact O-N 3.13Å; E57-N113 WeakPolarHBondContact CA-OD1 3.32Å
58	N	85.5	Confident	85.2	Confident	96 Å²	96	41.7 Å²	41.7	51%	0.513	22%	0.221	S	C	.	.	S	Bend	trans	-134.1	78.9	180	-178.7	14	0	0	0	110.1	K54 S61	K54-N58 PolarHBondContact O-N 3.42Å; N58-S61 PolarHBondContact ND2-OG 3Å; N58-S61 VanDerWaalsContact ND2-OG 3.11Å; N58-S61 PolarHBondContact O-OG 3.34Å
59	T	84.1	Confident	85.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-41.8	-167.6	-59.5	0	0	0	0	114	L55 S61 E62 I63 M114 H230	L55-T59 WeakPolarHBondContact O-CA 3.39Å; L55-T59 PolarHBondContact O-OG1 2.99Å; T59-S61 PolarHBondContact O-N 3.48Å; T59-E62 PolarHBondContact O-N 3.21Å; T59-I63 HydrophobicContact CG2-CD1 3.39Å; T59-I63 HydrophobicContact CG2-CG1 3.86Å; T59-I63 WeakPolarHBondContact O-CG1 3.14Å; T59-I63 PolarHBondContact O-N 3.14Å; T59-M114 HydrophobicContact CG2-CG 3.65Å; T59-M114 HydrophobicContact CG2-SD 3.43Å; T59-M114 WeakPolarHBondContact CG2-SD 3.4Å; T59-M114 WeakPolarHBondContact OG1-CG 3.27Å; T59-M114 PolarHBondContact OG1-N 3.24Å; T59-H230 HydrophobicContact CG2-CB 4.03Å
60	C	82.7	Confident	85.6	Confident	28 Å²	28	36.4 Å²	36.4	19%	0.189	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-39.5	-169	-64.2	0	0	0	0	113.3	V64 L155 H230	C60-V64 WeakPolarHBondContact O-CG2 3.36Å; C60-V64 PolarHBondContact O-N 3.33Å; C60-L155 HydrophobicContact CB-CD2 4.35Å; C60-H230 PolarHBondContact SG-CE1 3.1Å
61	S	84.5	Confident	85.7	Confident	40 Å²	40	37.3 Å²	37.3	28%	0.28	18%	0.178	S	C	.	.	H	α-helix	trans	-71.2	-42.1	177.9	44.8	0	0	0	0	112.9	N58 T59 V64 A65	N58-S61 PolarHBondContact ND2-OG 3Å; N58-S61 VanDerWaalsContact ND2-OG 3.11Å; N58-S61 PolarHBondContact O-OG 3.34Å; T59-S61 PolarHBondContact O-N 3.48Å; S61-V64 PolarHBondContact O-N 2.87Å; S61-A65 PolarHBondContact O-N 3.45Å
62	E	86	Confident	85.9	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-74.3	-33.3	-174.9	-58.1	-71.4	-161.4	0	0	111.4	S8 Y12 K54 L55 T59 A65 C66	S8-E62 WeakPolarHBondContact CB-OE2 3.45Å; S8-E62 PolarHBondContact OG-OE1 3.3Å; S8-E62 PolarHBondContact OG-OE2 3.24Å; Y12-E62 HydrophobicContact CE2-CB 4.45Å; K54-E62 HydrophobicContact CB-CG 4.43Å; K54-E62 VanDerWaalsContact CB-OE1 3.31Å; K54-E62 WeakPolarHBondContact CB-OE1 3.47Å; K54-E62 WeakPolarHBondContact CD-OE1 3.41Å; L55-E62 HydrophobicContact CB-CB 4.15Å; L55-E62 HydrophobicContact CB-CG 4.43Å; L55-E62 HydrophobicContact CG-CB 4.44Å; T59-E62 PolarHBondContact O-N 3.21Å; E62-A65 PolarHBondContact O-N 3.06Å; E62-C66 VanDerWaalsContact O-CB 3.29Å; E62-C66 WeakPolarHBondContact O-CB 3.34Å; E62-C66 PolarHBondContact O-N 3.27Å
63	I	87.8	Confident	85.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-47.4	169.8	-68	-171.9	0	0	0	111	T59 A65 C66 Q67 F92 L155 N253	T59-I63 HydrophobicContact CG2-CD1 3.39Å; T59-I63 HydrophobicContact CG2-CG1 3.86Å; T59-I63 WeakPolarHBondContact O-CG1 3.14Å; T59-I63 PolarHBondContact O-N 3.14Å; I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 3.26Å; I63-C66 PolarHBondContact O-N 3.34Å; I63-Q67 HydrophobicContact CG2-CG 4.21Å; I63-Q67 WeakPolarHBondContact O-CB 3.2Å; I63-Q67 VanDerWaalsContact O-CG 3.26Å; I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 2.79Å; I63-F92 HydrophobicContact CD1-CE2 3.88Å; I63-F92 HydrophobicContact CG1-CE2 3.79Å; I63-F92 HydrophobicContact CG1-CZ 4.27Å; I63-L155 HydrophobicContact CG2-CD1 3.75Å; I63-N253 VanDerWaalsContact CD1-ND2 3.28Å; I63-N253 WeakPolarHBondContact CD1-ND2 3.3Å
64	V	87.1	Confident	85.8	Confident	27 Å²	27	34.6 Å²	34.6	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-32.3	179.7	171.7	0	0	0	0	111.8	C60 S61 R68 L155	C60-V64 WeakPolarHBondContact O-CG2 3.36Å; C60-V64 PolarHBondContact O-N 3.33Å; S61-V64 PolarHBondContact O-N 2.87Å; V64-R68 WeakPolarHBondContact O-CD 3.35Å; V64-R68 VanDerWaalsContact O-CG 3.25Å; V64-R68 WeakPolarHBondContact O-CG 3.27Å; V64-R68 PolarHBondContact O-N 2.97Å; V64-L155 HydrophobicContact CG2-CB 4.13Å; V64-L155 HydrophobicContact CG2-CD1 4.34Å
65	A	87	Confident	85.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.5	-47.9	170.8	0	0	0	0	0	111.7	L5 Y12 S61 E62 I63 Q67 R68 A69	L5-A65 HydrophobicContact CD2-CB 4.03Å; Y12-A65 HydrophobicContact CD2-CB 4.19Å; Y12-A65 HydrophobicContact CE2-CB 4.31Å; S61-A65 PolarHBondContact O-N 3.45Å; E62-A65 PolarHBondContact O-N 3.06Å; I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 3.26Å; A65-Q67 PolarHBondContact O-N 3.41Å; A65-R68 PolarHBondContact O-N 2.92Å; A65-A69 PolarHBondContact O-N 3.28Å
66	C	86.8	Confident	85.6	Confident	1 Å²	1	41 Å²	41	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-41.6	-179.7	-169.3	0	0	0	0	112.6	Y12 E62 I63 R68 A69 I70 V90	Y12-C66 HydrophobicContact CD1-CB 4.39Å; Y12-C66 HydrophobicContact CD2-CB 3.97Å; Y12-C66 HydrophobicContact CE2-CB 4.12Å; Y12-C66 HydrophobicContact CG-CB 4.15Å; E62-C66 VanDerWaalsContact O-CB 3.29Å; E62-C66 WeakPolarHBondContact O-CB 3.34Å; E62-C66 PolarHBondContact O-N 3.27Å; I63-C66 PolarHBondContact O-N 3.34Å; C66-R68 VanDerWaalsContact C-N 3.28Å; C66-R68 PolarHBondContact O-N 3.29Å; C66-A69 PolarHBondContact O-N 2.8Å; C66-I70 WeakPolarHBondContact O-CG1 3Å; C66-I70 PolarHBondContact O-N 2.6Å; C66-V90 HydrophobicContact CB-CG2 4.4Å
67	Q	88.1	Confident	85.4	Confident	38 Å²	38	44.1 Å²	44.1	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-37.8	173.7	-71.4	173.6	-12.2	0	0	112.6	I63 A65 K71 F88 V90	I63-Q67 HydrophobicContact CG2-CG 4.21Å; I63-Q67 WeakPolarHBondContact O-CB 3.2Å; I63-Q67 VanDerWaalsContact O-CG 3.26Å; I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 2.79Å; A65-Q67 PolarHBondContact O-N 3.41Å; Q67-K71 WeakPolarHBondContact O-CB 3.46Å; Q67-K71 PolarHBondContact O-N 2.85Å; Q67-K71 VanDerWaalsContact O-N 3.09Å; Q67-F88 VanDerWaalsContact CG-O 3.31Å; Q67-F88 WeakPolarHBondContact CG-O 3.48Å; Q67-V90 HydrophobicContact CG-CG2 3.96Å
68	R	86.6	Confident	85.1	Confident	98 Å²	98	40.6 Å²	40.6	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-73.8	-39.7	177.2	-67.4	169	-177.2	179.3	2.5	112.2	E9 V64 A65 C66 K71 K72	E9-R68 HydrophobicContact CG-CB 4.41Å; E9-R68 VanDerWaalsContact OE1-CB 3.29Å; E9-R68 WeakPolarHBondContact OE1-CB 3.3Å; V64-R68 WeakPolarHBondContact O-CD 3.35Å; V64-R68 VanDerWaalsContact O-CG 3.25Å; V64-R68 WeakPolarHBondContact O-CG 3.27Å; V64-R68 PolarHBondContact O-N 2.97Å; A65-R68 PolarHBondContact O-N 2.92Å; C66-R68 VanDerWaalsContact C-N 3.28Å; C66-R68 PolarHBondContact O-N 3.29Å; R68-K71 PolarHBondContact O-N 2.79Å; R68-K72 PolarHBondContact O-N 2.73Å
69	A	86.6	Confident	84.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-52.2	172.7	0	0	0	0	0	111.3	E9 V13 A65 C66 K71 K72 C73	E9-A69 HydrophobicContact CG-CB 4.33Å; V13-A69 HydrophobicContact CG2-CB 3.75Å; A65-A69 PolarHBondContact O-N 3.28Å; C66-A69 PolarHBondContact O-N 2.8Å; A69-K71 VanDerWaalsContact C-N 3.3Å; A69-K71 PolarHBondContact O-N 3.4Å; A69-K72 WeakPolarHBondContact O-CA 3.48Å; A69-K72 WeakPolarHBondContact O-CB 3.31Å; A69-K72 PolarHBondContact O-N 3.49Å; A69-C73 PolarHBondContact O-N 3.08Å; A69-C73 PolarHBondContact O-SG 3.24Å; A69-C73 VanDerWaalsContact O-SG 3.37Å
70	I	86.1	Confident	84.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-42.1	176.8	-68.4	161.8	0	0	0	111.3	L16 L37 I39 C66 K72 C73 I74 F88 V90	L16-I70 HydrophobicContact CD1-CG1 3.62Å; L37-I70 HydrophobicContact CB-CD1 4.26Å; L37-I70 HydrophobicContact CD2-CD1 3.93Å; L37-I70 HydrophobicContact CD2-CG1 4.01Å; L37-I70 HydrophobicContact CD2-CG2 4.44Å; I39-I70 HydrophobicContact CD1-CD1 4.2Å; C66-I70 WeakPolarHBondContact O-CG1 3Å; C66-I70 PolarHBondContact O-N 2.6Å; I70-K72 VanDerWaalsContact C-N 3.28Å; I70-K72 PolarHBondContact O-N 3.4Å; I70-C73 PolarHBondContact O-N 2.84Å; I70-I74 HydrophobicContact CG2-CD1 3.67Å; I70-I74 HydrophobicContact CG2-CG1 4.27Å; I70-I74 WeakPolarHBondContact O-CB 3.49Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.18Å; I70-F88 HydrophobicContact CG2-CB 4.32Å; I70-V90 HydrophobicContact CD1-CG2 3.44Å; I70-V90 VanDerWaalsContact CD1-CG2 3.44Å
71	K	86	Confident	83.8	Confident	66 Å²	66	43.6 Å²	43.6	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-36.2	176.1	-173.3	169.8	-179.4	176	0	112.5	Q67 R68 A69 Q75 H86 F88	Q67-K71 WeakPolarHBondContact O-CB 3.46Å; Q67-K71 PolarHBondContact O-N 2.85Å; Q67-K71 VanDerWaalsContact O-N 3.09Å; R68-K71 PolarHBondContact O-N 2.79Å; A69-K71 VanDerWaalsContact C-N 3.3Å; A69-K71 PolarHBondContact O-N 3.4Å; K71-Q75 WeakPolarHBondContact O-CB 3.45Å; K71-Q75 WeakPolarHBondContact O-CG 3.45Å; K71-Q75 PolarHBondContact O-N 3.46Å; K71-H86 PolarHBondContact NZ-O 2.91Å; K71-F88 HydrophobicContact CB-CD2 4.08Å; K71-F88 HydrophobicContact CG-CD2 4.13Å; K71-F88 HydrophobicContact CG-CE2 4.34Å
72	K	85.6	Confident	83	Confident	90 Å²	90	42.1 Å²	42.1	39%	0.391	22%	0.215	S	C	.	.	H	α-helix	trans	-70.1	-45.4	173.7	-73.6	171.2	169.8	172.5	0	112.1	E9 R68 A69 I70 I74 Q75 N76	E9-K72 VanDerWaalsContact OE1-CE 3.27Å; E9-K72 WeakPolarHBondContact OE1-CE 3.37Å; E9-K72 IonicContact OE1-NZ 2.65Å; E9-K72 PolarHBondContact OE1-NZ 2.76Å; E9-K72 IonicContact OE2-NZ 2.68Å; E9-K72 PolarHBondContact OE2-NZ 3.26Å; R68-K72 PolarHBondContact O-N 2.73Å; A69-K72 WeakPolarHBondContact O-CA 3.48Å; A69-K72 WeakPolarHBondContact O-CB 3.31Å; A69-K72 PolarHBondContact O-N 3.49Å; I70-K72 VanDerWaalsContact C-N 3.28Å; I70-K72 PolarHBondContact O-N 3.4Å; K72-I74 PolarHBondContact O-N 3.2Å; K72-Q75 WeakPolarHBondContact O-CB 3.39Å; K72-Q75 PolarHBondContact O-N 3.45Å; K72-N76 PolarHBondContact O-N 2.93Å
73	C	82.1	Confident	82.3	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-47.9	175.7	-61.5	0	0	0	0	111.2	A69 I70 Q75 N76 T77	A69-C73 PolarHBondContact O-N 3.08Å; A69-C73 PolarHBondContact O-SG 3.24Å; A69-C73 VanDerWaalsContact O-SG 3.37Å; I70-C73 PolarHBondContact O-N 2.84Å; C73-Q75 VanDerWaalsContact C-N 3.34Å; C73-Q75 PolarHBondContact O-N 3.32Å; C73-N76 WeakPolarHBondContact O-CB 3.43Å; C73-N76 PolarHBondContact O-N 3Å; C73-N76 VanDerWaalsContact O-N 3.12Å; C73-T77 PolarHBondContact O-N 3.28Å; C73-T77 PolarHBondContact O-OG1 2.93Å
74	I	84.1	Confident	81.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-39.3	176.5	-67.9	173.4	0	0	0	111.5	I26 L29 I70 K72 N76 T77 N78 F81 F88	I26-I74 HydrophobicContact CG2-CG1 4.07Å; L29-I74 HydrophobicContact CD2-CD1 4.28Å; I70-I74 HydrophobicContact CG2-CD1 3.67Å; I70-I74 HydrophobicContact CG2-CG1 4.27Å; I70-I74 WeakPolarHBondContact O-CB 3.49Å; I70-I74 WeakPolarHBondContact O-CG1 3.46Å; I70-I74 PolarHBondContact O-N 3.18Å; K72-I74 PolarHBondContact O-N 3.2Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 2.75Å; I74-T77 PolarHBondContact O-N 2.87Å; I74-N78 CarbonylContact O-C 3.53Å; I74-N78 PolarHBondContact O-N 3.26Å; I74-F81 HydrophobicContact CG2-CD1 3.9Å; I74-F88 HydrophobicContact CB-CE2 4.37Å; I74-F88 HydrophobicContact CD1-CD1 3.92Å; I74-F88 HydrophobicContact CD1-CD2 3.97Å; I74-F88 HydrophobicContact CD1-CE1 3.88Å; I74-F88 HydrophobicContact CD1-CE2 3.92Å; I74-F88 HydrophobicContact CD1-CG 3.98Å; I74-F88 HydrophobicContact CD1-CZ 3.89Å; I74-F88 HydrophobicContact CG2-CE2 4.05Å; I74-F88 HydrophobicContact CG2-CZ 3.93Å
75	Q	84.6	Confident	80.4	Confident	87 Å²	87	54 Å²	54	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-34	174.5	-81.2	172.9	-14.4	0	0	113.1	K71 K72 C73 A82	K71-Q75 WeakPolarHBondContact O-CB 3.45Å; K71-Q75 WeakPolarHBondContact O-CG 3.45Å; K71-Q75 PolarHBondContact O-N 3.46Å; K72-Q75 WeakPolarHBondContact O-CB 3.39Å; K72-Q75 PolarHBondContact O-N 3.45Å; C73-Q75 VanDerWaalsContact C-N 3.34Å; C73-Q75 PolarHBondContact O-N 3.32Å; Q75-A82 HydrophobicContact CB-CB 4.47Å; Q75-A82 HydrophobicContact CG-CB 3.41Å; Q75-A82 VanDerWaalsContact CG-CB 3.41Å
76	N	84.5	Confident	79.4	Confident	130 Å²	130	59.7 Å²	59.7	70%	0.695	30%	0.3	S	S	*	.	H	α-helix	trans	-72.4	-38.6	175.2	-65.1	-17.3	0	0	0	111.9	K72 C73 I74	K72-N76 PolarHBondContact O-N 2.93Å; C73-N76 WeakPolarHBondContact O-CB 3.43Å; C73-N76 PolarHBondContact O-N 3Å; C73-N76 VanDerWaalsContact O-N 3.12Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 2.75Å
77	T	82	Confident	78.7	Confident	77 Å²	77	63.8 Å²	63.8	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-75.5	-44.2	179.6	-48.4	0	0	0	0	112.8	I30 C73 I74	I30-T77 HydrophobicContact CD1-CG2 4.19Å; C73-T77 PolarHBondContact O-N 3.28Å; C73-T77 PolarHBondContact O-OG1 2.93Å; I74-T77 PolarHBondContact O-N 2.87Å
78	N	80.2	Confident	78.5	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.283	31%	0.312	S	S	.	.			trans	-151.9	106.6	179.3	-173.8	-21.4	0	0	0	111.7	I74 D80	I74-N78 CarbonylContact O-C 3.53Å; I74-N78 PolarHBondContact O-N 3.26Å; N78-D80 VanDerWaalsContact C-N 3.28Å; N78-D80 PolarHBondContact O-N 2.79Å; N78-D80 PolarHBondContact OD1-N 2.85Å
79	P	79.3	Confident	78.4	Confident	77 Å²	77	59.4 Å²	59.4	50%	0.5	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.3	-175.9	31.3	-36.9	0	0	0	114.3	K83	P79-K83 WeakPolarHBondContact O-CE 3.33Å
80	D	75.9	Confident	78.5	Confident	94 Å²	94	59.5 Å²	59.5	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-40.5	-178.4	-69.8	-37.7	0	0	0	112.1	N78 A82 K83 T84	N78-D80 VanDerWaalsContact C-N 3.28Å; N78-D80 PolarHBondContact O-N 2.79Å; N78-D80 PolarHBondContact OD1-N 2.85Å; D80-A82 PolarHBondContact O-N 3.18Å; D80-K83 WeakPolarHBondContact O-CB 3.5Å; D80-K83 PolarHBondContact O-N 3.13Å; D80-K83 IonicContact OD1-NZ 3.61Å; D80-K83 PolarHBondContact OD1-NZ 3.01Å; D80-T84 PolarHBondContact O-N 2.99Å
81	F	69.3	Low	78.6	Confident	17 Å²	17	59.5 Å²	59.5	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-37	175.1	-171.8	-120.1	0	0	0	112	L29 I30 D33 I74 K83 T84 K85 F88	L29-F81 HydrophobicContact CD2-CE1 3.94Å; L29-F81 HydrophobicContact CD2-CZ 4.47Å; I30-F81 HydrophobicContact CG1-CD1 4.01Å; I30-F81 HydrophobicContact CG1-CE1 4.18Å; D33-F81 VanDerWaalsContact OD1-CE2 3.29Å; D33-F81 WeakPolarHBondContact OD1-CE2 3.5Å; I74-F81 HydrophobicContact CG2-CD1 3.9Å; F81-K83 PolarHBondContact O-N 3.35Å; F81-T84 PolarHBondContact O-N 3.18Å; F81-K85 HydrophobicContact CE2-CD 4.14Å; F81-K85 HydrophobicContact CZ-CD 4.07Å; F81-K85 PolarHBondContact O-N 3.29Å; F81-F88 HydrophobicContact CD1-CE1 4.14Å; F81-F88 AromaticContact CD1-CZ 3.91Å; F81-F88 HydrophobicContact CD1-CZ 3.91Å; F81-F88 AromaticContact CE1-CE1 3.56Å; F81-F88 HydrophobicContact CE1-CE1 3.56Å; F81-F88 AromaticContact CE1-CZ 3.82Å; F81-F88 HydrophobicContact CE1-CZ 3.82Å; F81-F88 HydrophobicContact CZ-CE1 4.27Å
82	A	66.8	Low	78.6	Confident	9 Å²	9	56.4 Å²	56.4	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-8.9	177.4	0	0	0	0	0	115.2	Q75 D80	Q75-A82 HydrophobicContact CB-CB 4.47Å; Q75-A82 HydrophobicContact CG-CB 3.41Å; Q75-A82 VanDerWaalsContact CG-CB 3.41Å; D80-A82 PolarHBondContact O-N 3.18Å
83	K	70.7	Confident	78.6	Confident	130 Å²	130	53.5 Å²	53.5	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-86.3	-45.1	169.8	-63.3	164.3	-167.4	162.1	0	110.4	P79 D80 F81 H86	P79-K83 WeakPolarHBondContact O-CE 3.33Å; D80-K83 WeakPolarHBondContact O-CB 3.5Å; D80-K83 PolarHBondContact O-N 3.13Å; D80-K83 IonicContact OD1-NZ 3.61Å; D80-K83 PolarHBondContact OD1-NZ 3.01Å; F81-K83 PolarHBondContact O-N 3.35Å; K83-H86 PolarHBondContact O-CE1 3.06Å; K83-H86 VanDerWaalsContact O-CE1 3.25Å; K83-H86 PolarHBondContact O-ND1 2.91Å
84	T	69.1	Low	78.3	Confident	113 Å²	113	53.3 Å²	53.3	69%	0.693	28%	0.276	S	S	*	.	H	α-helix	trans	-67.5	-35.2	-176.1	-49.9	0	0	0	0	113.1	D80 F81	D80-T84 PolarHBondContact O-N 2.99Å; F81-T84 PolarHBondContact O-N 3.18Å
85	K	66.4	Low	78.1	Confident	49 Å²	49	54.5 Å²	54.5	21%	0.213	28%	0.284	C	S	.	.			trans	-118.1	113	177.9	-58.3	-163.1	-178.2	-165.3	0	110.4	D33 I35 F81 F88	D33-K85 PolarHBondContact O-NZ 3.15Å; I35-K85 HydrophobicContact CD1-CD 4.32Å; I35-K85 HydrophobicContact CG1-CD 4.07Å; F81-K85 HydrophobicContact CE2-CD 4.14Å; F81-K85 HydrophobicContact CZ-CD 4.07Å; F81-K85 PolarHBondContact O-N 3.29Å; K85-F88 HydrophobicContact CB-CE1 4.25Å; K85-F88 HydrophobicContact CB-CZ 4.25Å
86	H	65.7	Low	77.7	Confident	119 Å²	119	50.6 Å²	50.6	55%	0.551	27%	0.266	S	S	*	.	S	Bend	trans	-77.1	-23.5	-173.6	-67.3	-21.5	0	0	0	114.1	K71 K83	K71-H86 PolarHBondContact NZ-O 2.91Å; K83-H86 PolarHBondContact O-CE1 3.06Å; K83-H86 VanDerWaalsContact O-CE1 3.25Å; K83-H86 PolarHBondContact O-ND1 2.91Å
87	E	73.5	Confident	77.4	Confident	86 Å²	86	46 Å²	46	40%	0.402	25%	0.249	S	C	.	.			trans	-135.2	141.9	-175.7	-60.1	-172.5	170.5	0	0	109.9	I35 F89 R148	I35-E87 WeakPolarHBondContact CG2-O 3.28Å; E87-F89 HydrophobicContact CB-CZ 4.43Å; E87-R148 IonicContact OE1-NH1 2.76Å
88	F	82.6	Confident	77.3	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.022	27%	0.265	C	S	.	.			trans	-122.6	143.3	176	-67.9	-69.2	0	0	0	108.4	Q67 I70 K71 I74 F81 K85	Q67-F88 VanDerWaalsContact CG-O 3.31Å; Q67-F88 WeakPolarHBondContact CG-O 3.48Å; I70-F88 HydrophobicContact CG2-CB 4.32Å; K71-F88 HydrophobicContact CB-CD2 4.08Å; K71-F88 HydrophobicContact CG-CD2 4.13Å; K71-F88 HydrophobicContact CG-CE2 4.34Å; I74-F88 HydrophobicContact CB-CE2 4.37Å; I74-F88 HydrophobicContact CD1-CD1 3.92Å; I74-F88 HydrophobicContact CD1-CD2 3.97Å; I74-F88 HydrophobicContact CD1-CE1 3.88Å; I74-F88 HydrophobicContact CD1-CE2 3.92Å; I74-F88 HydrophobicContact CD1-CG 3.98Å; I74-F88 HydrophobicContact CD1-CZ 3.89Å; I74-F88 HydrophobicContact CG2-CE2 4.05Å; I74-F88 HydrophobicContact CG2-CZ 3.93Å; F81-F88 HydrophobicContact CD1-CE1 4.14Å; F81-F88 AromaticContact CD1-CZ 3.91Å; F81-F88 HydrophobicContact CD1-CZ 3.91Å; F81-F88 AromaticContact CE1-CE1 3.56Å; F81-F88 HydrophobicContact CE1-CE1 3.56Å; F81-F88 AromaticContact CE1-CZ 3.82Å; F81-F88 HydrophobicContact CE1-CZ 3.82Å; F81-F88 HydrophobicContact CZ-CE1 4.27Å; K85-F88 HydrophobicContact CB-CE1 4.25Å; K85-F88 HydrophobicContact CB-CZ 4.25Å
89	F	85.8	Confident	77.4	Confident	39 Å²	39	47 Å²	47	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	165	-177	-62.3	-70.5	0	0	0	111.5	I35 R36 L37 E87 N213	I35-F89 HydrophobicContact CG2-CD2 3.74Å; I35-F89 HydrophobicContact CG2-CE2 4.1Å; I35-F89 PolarHBondContact O-N 3.15Å; R36-F89 WeakPolarHBondContact CA-O 3.5Å; R36-F89 HydrophobicContact CB-CB 4.32Å; R36-F89 HydrophobicContact CG-CB 4.03Å; L37-F89 PolarHBondContact N-O 3.41Å; E87-F89 HydrophobicContact CB-CZ 4.43Å; F89-N213 HydrophobicContact CE2-CB 4.45Å; F89-N213 WeakPolarHBondContact CZ-ND2 3.46Å
90	V	88.1	Confident	77.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.7	179.6	-167.6	0	0	0	0	108.8	I39 C66 Q67 I70 F92	I39-V90 HydrophobicContact CB-CG1 4.39Å; I39-V90 HydrophobicContact CD1-CG1 3.81Å; I39-V90 HydrophobicContact CG1-CG1 4.08Å; C66-V90 HydrophobicContact CB-CG2 4.4Å; Q67-V90 HydrophobicContact CG-CG2 3.96Å; I70-V90 HydrophobicContact CD1-CG2 3.44Å; I70-V90 VanDerWaalsContact CD1-CG2 3.44Å; V90-F92 HydrophobicContact CB-CE2 4.09Å; V90-F92 HydrophobicContact CB-CZ 4.02Å; V90-F92 HydrophobicContact CG1-CD1 4.31Å; V90-F92 HydrophobicContact CG1-CD2 4.45Å; V90-F92 HydrophobicContact CG1-CE1 3.7Å; V90-F92 HydrophobicContact CG1-CE2 3.86Å; V90-F92 HydrophobicContact CG1-CZ 3.45Å; V90-F92 VanDerWaalsContact CG1-CZ 3.45Å
91	G	87.8	Confident	78.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	165.3	0	0	0	0	0	109.1	L37 M38 I39	L37-G91 PolarHBondContact O-N 2.8Å; M38-G91 WeakPolarHBondContact CA-O 3.35Å; I39-G91 PolarHBondContact N-O 2.87Å
92	F	87.5	Confident	79.1	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.5	175.8	-65.1	-75.7	0	0	0	111.4	I39 I41 L55 I63 V90 F96 V228 N253 N254	I39-F92 HydrophobicContact CB-CD1 4.4Å; I39-F92 HydrophobicContact CB-CE1 4.44Å; I41-F92 HydrophobicContact CD1-CB 4.13Å; I41-F92 HydrophobicContact CG1-CB 4.39Å; I41-F92 HydrophobicContact CG1-CD1 4.2Å; L55-F92 HydrophobicContact CD1-CD1 4.44Å; L55-F92 HydrophobicContact CD1-CE1 3.66Å; L55-F92 HydrophobicContact CD1-CZ 3.78Å; I63-F92 HydrophobicContact CD1-CE2 3.88Å; I63-F92 HydrophobicContact CG1-CE2 3.79Å; I63-F92 HydrophobicContact CG1-CZ 4.27Å; V90-F92 HydrophobicContact CB-CE2 4.09Å; V90-F92 HydrophobicContact CB-CZ 4.02Å; V90-F92 HydrophobicContact CG1-CD1 4.31Å; V90-F92 HydrophobicContact CG1-CD2 4.45Å; V90-F92 HydrophobicContact CG1-CE1 3.7Å; V90-F92 HydrophobicContact CG1-CE2 3.86Å; V90-F92 HydrophobicContact CG1-CZ 3.45Å; V90-F92 VanDerWaalsContact CG1-CZ 3.45Å; F92-F96 HydrophobicContact CB-CZ 4.48Å; F92-V228 HydrophobicContact CB-CG1 3.88Å; F92-V228 WeakPolarHBondContact O-CG1 3.43Å; F92-N253 HydrophobicContact CD2-CB 4.38Å; F92-N254 WeakPolarHBondContact O-CB 3.34Å; F92-N254 PolarHBondContact O-ND2 3.29Å
93	E	84.7	Confident	80.1	Confident	29 Å²	29	41.1 Å²	41.1	14%	0.136	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.3	-178.1	-179.9	140.1	-143.1	0	0	107.9	M38 I39 N40 I41 Q256 G518	M38-E93 HydrophobicContact CE-CB 4.08Å; I39-E93 PolarHBondContact O-N 2.74Å; N40-E93 CarbonylContact C-O 3.59Å; N40-E93 VanDerWaalsContact CA-O 3.29Å; N40-E93 WeakPolarHBondContact CA-O 3.21Å; I41-E93 PolarHBondContact N-O 3.11Å; E93-Q256 PolarHBondContact OE1-NE2 3.39Å; E93-G518 VanDerWaalsContact OE1-CA 3.24Å; E93-G518 WeakPolarHBondContact OE1-CA 3.24Å
94	G	76.1	Confident	80.9	Confident	1 Å²	1	37 Å²	37	1%	0.01	20%	0.203	C	C	.	.	S	Bend	trans	132.8	-174.9	177.2	0	0	0	0	0	113.6	F96 T517	G94-F96 VanDerWaalsContact O-CD2 3.23Å; G94-F96 WeakPolarHBondContact O-CD2 3.17Å; G94-F96 WeakPolarHBondContact O-CE2 3.37Å; G94-F96 PolarHBondContact O-N 3.3Å; G94-T517 PolarHBondContact N-OG1 2.78Å; G94-T517 PolarHBondContact O-OG1 3.25Å
95	S	79.7	Confident	81.8	Confident	25 Å²	25	34.8 Å²	34.8	18%	0.175	19%	0.19	C	C	.	.			trans	-84.6	109.2	-177.7	-173.4	0	0	0	0	112.1	N42 R45 G97 L515	N42-S95 PolarHBondContact OD1-N 2.97Å; R45-S95 PolarHBondContact NH1-O 3.48Å; R45-S95 PolarHBondContact NH2-O 3.28Å; S95-G97 VanDerWaalsContact C-N 3.31Å; S95-G97 PolarHBondContact O-N 2.77Å; S95-L515 VanDerWaalsContact CA-O 3.3Å; S95-L515 WeakPolarHBondContact CA-O 3.41Å; S95-L515 WeakPolarHBondContact CB-O 3.23Å; S95-L515 PolarHBondContact OG-O 3.37Å
96	F	76.6	Confident	82.8	Confident	6 Å²	6	33 Å²	33	3%	0.026	18%	0.183	C	C	.	.			trans	-78.6	-10.8	179.8	-70.7	-89.5	0	0	0	114.1	I41 L56 F92 G94 S98 R99 M114 C116 V228	I41-F96 HydrophobicContact CD1-CD1 4.28Å; I41-F96 HydrophobicContact CD1-CE1 3.38Å; I41-F96 HydrophobicContact CD1-CE2 4.36Å; I41-F96 HydrophobicContact CD1-CZ 3.41Å; I41-F96 VanDerWaalsContact CD1-CZ 3.41Å; L56-F96 HydrophobicContact CD2-CD1 4.09Å; L56-F96 HydrophobicContact CD2-CE1 4.17Å; F92-F96 HydrophobicContact CB-CZ 4.48Å; G94-F96 VanDerWaalsContact O-CD2 3.23Å; G94-F96 WeakPolarHBondContact O-CD2 3.17Å; G94-F96 WeakPolarHBondContact O-CE2 3.37Å; G94-F96 PolarHBondContact O-N 3.3Å; F96-S98 PolarHBondContact O-N 2.87Å; F96-R99 HydrophobicContact CB-CB 4.26Å; F96-R99 WeakPolarHBondContact O-CB 3.41Å; F96-R99 PolarHBondContact O-N 3.31Å; F96-R99 VanDerWaalsContact O-N 3.09Å; F96-M114 HydrophobicContact CE1-CE 4.28Å; F96-C116 HydrophobicContact CB-CB 3.95Å; F96-C116 HydrophobicContact CD1-CB 4.39Å; F96-C116 HydrophobicContact CD2-CB 3.67Å; F96-C116 HydrophobicContact CE2-CB 4.34Å; F96-C116 HydrophobicContact CG-CB 3.72Å; F96-V228 HydrophobicContact CD2-CG2 4.36Å; F96-V228 HydrophobicContact CE1-CG1 4.08Å; F96-V228 HydrophobicContact CE2-CB 4.47Å; F96-V228 HydrophobicContact CE2-CG1 4.04Å; F96-V228 HydrophobicContact CE2-CG2 3.55Å; F96-V228 HydrophobicContact CZ-CB 4.27Å; F96-V228 HydrophobicContact CZ-CG1 3.39Å; F96-V228 HydrophobicContact CZ-CG2 3.82Å
97	G	77.3	Confident	83.8	Confident	33 Å²	33	31.7 Å²	31.7	34%	0.34	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	54.8	-124.8	179	0	0	0	0	0	112	S95 R99 H100	S95-G97 VanDerWaalsContact C-N 3.31Å; S95-G97 PolarHBondContact O-N 2.77Å; G97-R99 PolarHBondContact O-N 2.68Å; G97-H100 VanDerWaalsContact O-CB 3.26Å; G97-H100 WeakPolarHBondContact O-CB 3.3Å; G97-H100 PolarHBondContact O-N 3Å
98	S	79.8	Confident	84.4	Confident	116 Å²	116	32 Å²	32	81%	0.811	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-64.8	-3.7	179	56.9	0	0	0	0	115.8	F96	F96-S98 PolarHBondContact O-N 2.87Å
99	R	82.2	Confident	84.6	Confident	34 Å²	34	40.7 Å²	40.7	13%	0.128	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-99.8	4.5	174.4	-66	149.3	167.3	-85.7	1	113.1	L56 F96 G97 N113 M114 C116	L56-R99 PolarHBondContact O-NH1 3.11Å; L56-R99 PolarHBondContact O-NH2 3.48Å; F96-R99 HydrophobicContact CB-CB 4.26Å; F96-R99 WeakPolarHBondContact O-CB 3.41Å; F96-R99 PolarHBondContact O-N 3.31Å; F96-R99 VanDerWaalsContact O-N 3.09Å; G97-R99 PolarHBondContact O-N 2.68Å; R99-N113 VanDerWaalsContact NH1-CB 3.31Å; R99-N113 PolarHBondContact NH1-OD1 2.62Å; R99-N113 PolarHBondContact NH2-OD1 2.85Å; R99-M114 PolarHBondContact NH1-O 3.22Å; R99-C116 PolarHBondContact O-N 3.09Å
100	H	86.7	Confident	84.7	Confident	32 Å²	32	40.1 Å²	40.1	15%	0.148	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.5	165.2	-167.8	87.5	0	0	0	109	G97 E118 Q226 L515	G97-H100 VanDerWaalsContact O-CB 3.26Å; G97-H100 WeakPolarHBondContact O-CB 3.3Å; G97-H100 PolarHBondContact O-N 3Å; H100-E118 IonicContact CD2-OE2 2.71Å; H100-E118 IonicContact CE1-OE1 3.16Å; H100-E118 PolarHBondContact CE1-OE1 3.02Å; H100-E118 VanDerWaalsContact CE1-OE1 3.25Å; H100-E118 IonicContact CE1-OE2 3.71Å; H100-E118 PolarHBondContact CE1-OE2 2.81Å; H100-E118 IonicContact NE2-OE1 2.95Å; H100-E118 PolarHBondContact NE2-OE1 3.02Å; H100-E118 IonicContact NE2-OE2 3.61Å; H100-E118 PolarHBondContact NE2-OE2 3.31Å; H100-Q226 PolarHBondContact CE1-NE2 2.86Å; H100-Q226 VanDerWaalsContact CE1-NE2 3.34Å; H100-L515 HydrophobicContact CB-CD2 4.08Å
101	V	88	Confident	84.8	Confident	12 Å²	12	43.2 Å²	43.2	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	149.7	-164	-74.6	0	0	0	0	112.8	T105 L106 L110 V115 C116 L117 E118	V101-T105 WeakPolarHBondContact CB-OG1 3.17Å; V101-L106 HydrophobicContact CB-CG 4.18Å; V101-L106 HydrophobicContact CG2-CD1 4.02Å; V101-L106 HydrophobicContact CG2-CD2 3.83Å; V101-L106 HydrophobicContact CG2-CG 3.62Å; V101-L110 HydrophobicContact CG1-CD1 3.89Å; V101-V115 HydrophobicContact CG2-CB 4.16Å; V101-C116 WeakPolarHBondContact CG2-O 3.36Å; V101-C116 PolarHBondContact N-O 2.59Å; V101-L117 WeakPolarHBondContact O-CA 3.31Å; V101-E118 PolarHBondContact O-N 3.1Å
102	T	87.1	Confident	84.7	Confident	27 Å²	27	44.6 Å²	44.6	17%	0.166	26%	0.258	C	S	.	.			trans	-90.5	165.2	169.1	80.9	0	0	0	0	109.9	R104 T105 L106 E193 T197	T102-R104 PolarHBondContact O-N 2.88Å; T102-R104 WeakPolarHBondContact OG1-CB 3.4Å; T102-R104 PolarHBondContact OG1-N 3.31Å; T102-R104 VanDerWaalsContact OG1-N 3.12Å; T102-T105 PolarHBondContact N-OG1 3.44Å; T102-T105 PolarHBondContact O-N 3.09Å; T102-T105 PolarHBondContact O-OG1 2.97Å; T102-L106 PolarHBondContact O-N 3.08Å; T102-E193 WeakPolarHBondContact CB-OE1 3.36Å; T102-E193 PolarHBondContact OG1-OE1 2.97Å; T102-T197 HydrophobicContact CG2-CG2 4.27Å
103	P	87.8	Confident	84.8	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.026	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-12	169.2	-28.7	36.6	0	0	0	115.4	L117 E118 E193 R205 I207	P103-L117 HydrophobicContact CG-CD1 4.18Å; P103-L117 HydrophobicContact CG-CD2 4.22Å; P103-L117 HydrophobicContact CG-CG 4.28Å; P103-E118 WeakPolarHBondContact CD-O 3.45Å; P103-E193 HydrophobicContact CB-CB 4.32Å; P103-E193 HydrophobicContact CG-CB 4.23Å; P103-R205 HydrophobicContact CB-CB 4.4Å; P103-I207 HydrophobicContact CB-CD1 4.03Å; P103-I207 HydrophobicContact CB-CG1 4.14Å
104	R	86.7	Confident	85	Confident	42 Å²	42	44 Å²	44	16%	0.158	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-36	174	-175.2	179.6	-59.6	-84.6	-12.7	113.6	T102 E193 L203	T102-R104 PolarHBondContact O-N 2.88Å; T102-R104 WeakPolarHBondContact OG1-CB 3.4Å; T102-R104 PolarHBondContact OG1-N 3.31Å; T102-R104 VanDerWaalsContact OG1-N 3.12Å; R104-E193 WeakPolarHBondContact CB-OE1 3.28Å; R104-E193 IonicContact CZ-OE2 3.15Å; R104-E193 IonicContact NE-OE1 2.62Å; R104-E193 PolarHBondContact NE-OE1 2.86Å; R104-E193 IonicContact NE-OE2 2.68Å; R104-E193 PolarHBondContact NE-OE2 3.42Å; R104-E193 IonicContact NH2-OE2 2.76Å; R104-E193 PolarHBondContact NH2-OE2 3.21Å; R104-L203 PolarHBondContact NH2-O 3.05Å; R104-L203 VanDerWaalsContact NH2-O 3.08Å
105	T	87.1	Confident	85.8	Confident	68 Å²	68	44 Å²	44	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.7	-178	57.9	0	0	0	0	113.7	V101 T102 N107	V101-T105 WeakPolarHBondContact CB-OG1 3.17Å; T102-T105 PolarHBondContact N-OG1 3.44Å; T102-T105 PolarHBondContact O-N 3.09Å; T102-T105 PolarHBondContact O-OG1 2.97Å; T105-N107 PolarHBondContact O-N 2.76Å; T105-N107 PolarHBondContact O-ND2 2.68Å
106	L	87.6	Confident	86.3	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.063	25%	0.248	C	C	.	.			trans	-63.8	92.7	168.5	-87.9	160.2	0	0	0	112.6	V101 T102 L110 V115 L117 I207 Y231 I250	V101-L106 HydrophobicContact CB-CG 4.18Å; V101-L106 HydrophobicContact CG2-CD1 4.02Å; V101-L106 HydrophobicContact CG2-CD2 3.83Å; V101-L106 HydrophobicContact CG2-CG 3.62Å; T102-L106 PolarHBondContact O-N 3.08Å; L106-L110 HydrophobicContact CD2-CB 4.41Å; L106-L110 HydrophobicContact CD2-CD1 4.01Å; L106-V115 HydrophobicContact CD2-CB 4.37Å; L106-V115 HydrophobicContact CD2-CG1 4.08Å; L106-V115 HydrophobicContact CD2-CG2 4.24Å; L106-L117 HydrophobicContact CD1-CB 4.46Å; L106-L117 HydrophobicContact CD1-CD1 3.62Å; L106-L117 HydrophobicContact CD1-CG 4.21Å; L106-I207 HydrophobicContact CB-CD1 3.89Å; L106-I207 HydrophobicContact CD1-CD1 3.5Å; L106-I207 HydrophobicContact CG-CD1 4.32Å; L106-Y231 HydrophobicContact CD2-CD1 4.06Å; L106-Y231 HydrophobicContact CD2-CD2 4.45Å; L106-Y231 HydrophobicContact CD2-CE1 4.14Å; L106-Y231 HydrophobicContact CD2-CG 4.21Å; L106-I250 HydrophobicContact CD1-CD1 4.05Å
107	N	87.6	Confident	87	Confident	91 Å²	91	42.6 Å²	42.6	49%	0.487	25%	0.247	S	C	.	.			trans	-101.7	164.4	178.6	-74.7	-80.2	0	0	0	111.7	T105 K109 L110	T105-N107 PolarHBondContact O-N 2.76Å; T105-N107 PolarHBondContact O-ND2 2.68Å; N107-K109 PolarHBondContact O-N 2.75Å; N107-L110 PolarHBondContact O-N 3.25Å
108	S	85.3	Confident	87.5	Confident	92 Å²	92	43 Å²	43	64%	0.643	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-55.3	-24.1	177.5	53.1	0	0	0	0	114.7	L110 L111	S108-L110 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact O-N 3.1Å; S108-L111 WeakPolarHBondContact O-CG 3.36Å; S108-L111 PolarHBondContact O-N 3.04Å
109	K	87.4	Confident	87.9	Confident	187 Å²	187	37.5 Å²	37.5	81%	0.813	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-57.6	-17.6	171.9	-66.1	-176.3	177	-178	0	114.3	N107 N113	N107-K109 PolarHBondContact O-N 2.75Å; K109-N113 PolarHBondContact O-ND2 3.15Å
110	L	88.6	Confident	88.1	Confident	28 Å²	28	37.2 Å²	37.2	15%	0.147	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-102.9	5.9	-178.4	-63.8	173.4	0	0	0	113.4	V101 L106 N107 S108 N113 V115 Y231	V101-L110 HydrophobicContact CG1-CD1 3.89Å; L106-L110 HydrophobicContact CD2-CB 4.41Å; L106-L110 HydrophobicContact CD2-CD1 4.01Å; N107-L110 PolarHBondContact O-N 3.25Å; S108-L110 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact O-N 3.1Å; L110-N113 WeakPolarHBondContact O-CB 3.2Å; L110-N113 PolarHBondContact O-N 3.02Å; L110-V115 HydrophobicContact CB-CG1 4.04Å; L110-V115 HydrophobicContact CD1-CG1 4.2Å; L110-V115 HydrophobicContact CD2-CG1 4.47Å; L110-V115 HydrophobicContact CG-CG1 4.47Å; L110-Y231 HydrophobicContact CB-CD1 4.21Å
111	L	88.9	Confident	88.1	Confident	67 Å²	67	35.7 Å²	35.7	35%	0.351	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	136.8	173.5	-68.7	167	0	0	0	110.5	S108 N113 Y231 C233	S108-L111 WeakPolarHBondContact O-CG 3.36Å; S108-L111 PolarHBondContact O-N 3.04Å; L111-N113 PolarHBondContact O-N 2.97Å; L111-Y231 HydrophobicContact CD2-CD1 3.82Å; L111-Y231 HydrophobicContact CD2-CE1 3.78Å; L111-Y231 HydrophobicContact CD2-CG 4.45Å; L111-Y231 HydrophobicContact CG-CD1 4.26Å; L111-Y231 HydrophobicContact CG-CE1 4.21Å; L111-C233 HydrophobicContact CD2-CB 4.13Å
112	G	86.6	Confident	87.8	Confident	29 Å²	29	36.3 Å²	36.3	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-10.3	-176.8	0	0	0	0	0	115.1	H230 Y231	G112-H230 WeakPolarHBondContact CA-NE2 3.24Å; G112-H230 PolarHBondContact O-CD2 3.05Å; G112-H230 PolarHBondContact O-NE2 3.08Å; G112-Y231 PolarHBondContact N-O 3.1Å
113	N	89.1	Confident	87.6	Confident	19 Å²	19	38 Å²	38	10%	0.102	20%	0.204	C	C	.	.	S	Bend	trans	-92.5	153.8	-175.6	-77.1	-72.2	0	0	0	112.9	L56 E57 R99 K109 L110 L111 Y231	L56-N113 WeakPolarHBondContact O-CA 3.22Å; L56-N113 PolarHBondContact O-OD1 3.45Å; E57-N113 WeakPolarHBondContact CA-OD1 3.32Å; R99-N113 VanDerWaalsContact NH1-CB 3.31Å; R99-N113 PolarHBondContact NH1-OD1 2.62Å; R99-N113 PolarHBondContact NH2-OD1 2.85Å; K109-N113 PolarHBondContact O-ND2 3.15Å; L110-N113 WeakPolarHBondContact O-CB 3.2Å; L110-N113 PolarHBondContact O-N 3.02Å; L111-N113 PolarHBondContact O-N 2.97Å; N113-Y231 PolarHBondContact O-N 3.28Å
114	M	89.6	Confident	87.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.6	154.1	-83.6	-52.4	-60.7	0	0	109.5	L55 L56 T59 F96 R99 V228 G229 N253	L55-M114 HydrophobicContact CD2-CG 4.16Å; L56-M114 HydrophobicContact CD2-CB 3.78Å; L56-M114 HydrophobicContact CD2-CG 4.49Å; L56-M114 PolarHBondContact O-N 3.35Å; L56-M114 VanDerWaalsContact O-N 3.09Å; T59-M114 HydrophobicContact CG2-CG 3.65Å; T59-M114 HydrophobicContact CG2-SD 3.43Å; T59-M114 WeakPolarHBondContact CG2-SD 3.4Å; T59-M114 WeakPolarHBondContact OG1-CG 3.27Å; T59-M114 PolarHBondContact OG1-N 3.24Å; F96-M114 HydrophobicContact CE1-CE 4.28Å; R99-M114 PolarHBondContact NH1-O 3.22Å; M114-V228 HydrophobicContact CE-CB 4.48Å; M114-V228 HydrophobicContact CE-CG1 3.29Å; M114-G229 WeakPolarHBondContact CE-O 3.5Å; M114-N253 PolarHBondContact SD-ND2 3.22Å
115	V	91.6	Very high	87.2	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.4	174	-64.3	0	0	0	0	110.4	V101 L106 L110 G229 I250	V101-V115 HydrophobicContact CG2-CB 4.16Å; L106-V115 HydrophobicContact CD2-CB 4.37Å; L106-V115 HydrophobicContact CD2-CG1 4.08Å; L106-V115 HydrophobicContact CD2-CG2 4.24Å; L110-V115 HydrophobicContact CB-CG1 4.04Å; L110-V115 HydrophobicContact CD1-CG1 4.2Å; L110-V115 HydrophobicContact CD2-CG1 4.47Å; L110-V115 HydrophobicContact CG-CG1 4.47Å; V115-G229 PolarHBondContact N-O 3.27Å; V115-G229 PolarHBondContact O-N 3.24Å; V115-I250 HydrophobicContact CG2-CD1 4.31Å
116	C	91.1	Very high	87	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.9	167.2	-169.6	0	0	0	0	108.1	F96 R99 V101 Q226 I227 V228	F96-C116 HydrophobicContact CB-CB 3.95Å; F96-C116 HydrophobicContact CD1-CB 4.39Å; F96-C116 HydrophobicContact CD2-CB 3.67Å; F96-C116 HydrophobicContact CE2-CB 4.34Å; F96-C116 HydrophobicContact CG-CB 3.72Å; R99-C116 PolarHBondContact O-N 3.09Å; V101-C116 WeakPolarHBondContact CG2-O 3.36Å; V101-C116 PolarHBondContact N-O 2.59Å; C116-Q226 WeakPolarHBondContact SG-CG 3.32Å; C116-Q226 PolarHBondContact SG-NE2 3.39Å; C116-Q226 VanDerWaalsContact SG-NE2 3.37Å; C116-I227 WeakPolarHBondContact CA-O 3.48Å; C116-V228 HydrophobicContact CB-CG2 4.35Å
117	L	90.3	Very high	87.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.1	179.6	-178	159.9	0	0	0	110	V101 P103 L106 I191 I207 Q226 I227 I250	V101-L117 WeakPolarHBondContact O-CA 3.31Å; P103-L117 HydrophobicContact CG-CD1 4.18Å; P103-L117 HydrophobicContact CG-CD2 4.22Å; P103-L117 HydrophobicContact CG-CG 4.28Å; L106-L117 HydrophobicContact CD1-CB 4.46Å; L106-L117 HydrophobicContact CD1-CD1 3.62Å; L106-L117 HydrophobicContact CD1-CG 4.21Å; L117-I191 HydrophobicContact CD2-CB 4.2Å; L117-I191 HydrophobicContact CD2-CD1 3.98Å; L117-I191 HydrophobicContact CD2-CG2 3.59Å; L117-I207 HydrophobicContact CD1-CB 4.32Å; L117-I207 HydrophobicContact CD1-CD1 4.29Å; L117-I207 HydrophobicContact CD1-CG2 4.35Å; L117-Q226 CarbonylContact O-C 3.6Å; L117-Q226 WeakPolarHBondContact O-CA 3.17Å; L117-I227 PolarHBondContact N-O 2.89Å; L117-I227 PolarHBondContact O-N 3.34Å; L117-I250 HydrophobicContact CB-CD1 4.09Å; L117-I250 HydrophobicContact CD1-CD1 3.38Å; L117-I250 HydrophobicContact CG-CD1 4.38Å
118	E	88.1	Confident	87	Confident	42 Å²	42	43.4 Å²	43.4	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.5	167.9	-75.9	-176.1	150.6	0	0	112.3	H100 V101 P103 M194 Q226	H100-E118 IonicContact CD2-OE2 2.71Å; H100-E118 IonicContact CE1-OE1 3.16Å; H100-E118 PolarHBondContact CE1-OE1 3.02Å; H100-E118 VanDerWaalsContact CE1-OE1 3.25Å; H100-E118 IonicContact CE1-OE2 3.71Å; H100-E118 PolarHBondContact CE1-OE2 2.81Å; H100-E118 IonicContact NE2-OE1 2.95Å; H100-E118 PolarHBondContact NE2-OE1 3.02Å; H100-E118 IonicContact NE2-OE2 3.61Å; H100-E118 PolarHBondContact NE2-OE2 3.31Å; V101-E118 PolarHBondContact O-N 3.1Å; P103-E118 WeakPolarHBondContact CD-O 3.45Å; E118-M194 HydrophobicContact CB-CE 4.07Å; E118-Q226 HydrophobicContact CG-CB 4.32Å; E118-Q226 HydrophobicContact CG-CG 4.02Å
119	G	87.8	Confident	87.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	-167.4	177.1	0	0	0	0	0	114.4	Q192 R224 V225	G119-Q192 CarbonylContact C-O 3.54Å; G119-Q192 WeakPolarHBondContact CA-O 3.46Å; G119-R224 WeakPolarHBondContact O-CA 3.5Å; G119-V225 PolarHBondContact N-O 3.05Å; G119-V225 PolarHBondContact O-N 3.41Å
120	I	86.5	Confident	87.2	Confident	28 Å²	28	36.2 Å²	36.2	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	174.9	-64.7	166.7	0	0	0	108.3	T122 I191 Q192 M194 D223 R224	I120-T122 PolarHBondContact O-N 2.74Å; I120-I191 WeakPolarHBondContact O-CA 3.34Å; I120-Q192 PolarHBondContact N-O 3.43Å; I120-Q192 PolarHBondContact O-N 3Å; I120-M194 HydrophobicContact CG1-CG 4.36Å; I120-D223 WeakPolarHBondContact CA-O 3.47Å; I120-R224 HydrophobicContact CD1-CG 4.48Å; I120-R224 HydrophobicContact CG1-CG 3.93Å
121	V	87.5	Confident	87.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.2	171	177.1	0	0	0	0	109.2	I189 T190 I191 V219 P221 G222 D223 V225	V121-I189 HydrophobicContact CG1-CB 4.27Å; V121-I189 HydrophobicContact CG2-CD1 3.93Å; V121-T190 WeakPolarHBondContact CA-O 3.34Å; V121-I191 HydrophobicContact CG2-CG1 4.37Å; V121-V219 HydrophobicContact CB-CG1 4.12Å; V121-V219 HydrophobicContact CG2-CG1 3.6Å; V121-P221 CarbonylContact O-C 3.54Å; V121-P221 WeakPolarHBondContact O-CA 3.34Å; V121-G222 PolarHBondContact O-N 3.42Å; V121-D223 PolarHBondContact N-O 3.27Å; V121-V225 HydrophobicContact CG2-CG1 4.37Å; V121-V225 HydrophobicContact CG2-CG2 3.79Å
122	T	82.2	Confident	87	Confident	26 Å²	26	34.9 Å²	34.9	16%	0.16	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-40.1	-179.7	55.9	0	0	0	0	112	I120 T190 Q192	I120-T122 PolarHBondContact O-N 2.74Å; T122-T190 PolarHBondContact N-O 2.8Å; T122-T190 PolarHBondContact OG1-O 2.93Å; T122-T190 PolarHBondContact OG1-OG1 3.12Å; T122-Q192 HydrophobicContact CG2-CB 3.63Å
123	K	81.5	Confident	87.1	Confident	63 Å²	63	34 Å²	34	27%	0.274	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.8	173.2	-32.9	-170.7	-167.3	-148.5	0	110.9	T190 T371 E382	K123-T190 WeakPolarHBondContact CA-OG1 3.4Å; K123-T190 VanDerWaalsContact CB-OG1 3.26Å; K123-T190 WeakPolarHBondContact CB-OG1 2.96Å; K123-T190 PolarHBondContact N-OG1 3.11Å; K123-T190 VanDerWaalsContact N-OG1 3.09Å; K123-T190 PolarHBondContact O-N 2.84Å; K123-T190 PolarHBondContact O-OG1 3.44Å; K123-T371 PolarHBondContact NZ-OG1 2.73Å; K123-E382 VanDerWaalsContact CE-OE2 3.23Å; K123-E382 WeakPolarHBondContact CE-OE2 3.36Å; K123-E382 IonicContact NZ-OE2 2.78Å; K123-E382 PolarHBondContact NZ-OE2 3.34Å
124	A	83.1	Confident	87.1	Confident	32 Å²	32	33.1 Å²	33.1	26%	0.264	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.5	166.4	0	0	0	0	0	109	I189	A124-I189 HydrophobicContact CB-CG2 3.94Å
125	S	83.5	Confident	87.2	Confident	34 Å²	34	33.7 Å²	33.7	24%	0.238	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-73.3	168.3	172.3	73.9	0	0	0	0	111.3	Q187 T188	S125-Q187 PolarHBondContact O-NE2 2.76Å; S125-Q187 WeakPolarHBondContact OG-CG 2.96Å; S125-T188 WeakPolarHBondContact CB-O 3.47Å; S125-T188 PolarHBondContact N-O 2.8Å; S125-T188 PolarHBondContact OG-N 3.4Å; S125-T188 PolarHBondContact OG-O 3.5Å
126	L	84.1	Confident	87.1	Confident	114 Å²	114	33.7 Å²	33.7	60%	0.597	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-61.8	162	157.2	-66.8	176.5	0	0	0	110.4	H128	L126-H128 PolarHBondContact O-CD2 2.7Å
127	I	88.6	Confident	87.1	Confident	76 Å²	76	36.9 Å²	36.9	39%	0.39	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-87.2	129.8	179.1	-54.1	171	0	0	0	107.9	D185 V216 D217	I127-D185 HydrophobicContact CG2-CB 3.92Å; I127-V216 HydrophobicContact CB-CG1 4.23Å; I127-V216 HydrophobicContact CD1-CG1 3.47Å; I127-V216 VanDerWaalsContact CD1-CG1 3.47Å; I127-V216 HydrophobicContact CG1-CG1 3.51Å; I127-V216 HydrophobicContact CG2-CG1 3.73Å; I127-D217 HydrophobicContact CD1-CB 4.47Å
128	H	86.3	Confident	87	Confident	73 Å²	73	36.9 Å²	36.9	34%	0.338	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130	177.8	-54.3	-77.6	0	0	0	110.8	L126 K130 H186 E378	L126-H128 PolarHBondContact O-CD2 2.7Å; H128-K130 PolarHBondContact O-N 3.48Å; H128-H186 PolarHBondContact N-O 2.8Å; H128-H186 PolarHBondContact O-N 2.95Å; H128-E378 IonicContact CE1-OE1 2.73Å; H128-E378 PolarHBondContact CE1-OE1 3.29Å
129	P	89.6	Confident	86.9	Confident	88 Å²	88	38.4 Å²	38.4	57%	0.571	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	115	173.5	29.1	-33.1	0	0	0	110.3
130	K	87.6	Confident	86.8	Confident	40 Å²	40	41.7 Å²	41.7	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.2	173.8	171.9	179.3	168.4	-177.2	0	109.4	H128 T153 S154 Y183 S184 H186	H128-K130 PolarHBondContact O-N 3.48Å; K130-T153 PolarHBondContact NZ-OG1 2.97Å; K130-S154 PolarHBondContact NZ-OG 2.8Å; K130-Y183 CarbonylContact O-C 3.53Å; K130-Y183 VanDerWaalsContact O-CA 3.3Å; K130-Y183 WeakPolarHBondContact O-CA 3.34Å; K130-S184 WeakPolarHBondContact CB-O 3.29Å; K130-S184 PolarHBondContact N-O 2.78Å; K130-S184 PolarHBondContact O-N 2.82Å; K130-S184 PolarHBondContact O-OG 3.3Å; K130-H186 HydrophobicContact CB-CB 4.06Å; K130-H186 HydrophobicContact CD-CB 4.45Å
131	V	87.3	Confident	86.8	Confident	36 Å²	36	42 Å²	42	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.4	179.1	-165	0	0	0	0	109.9	Y149 Y183	V131-Y149 HydrophobicContact CB-CD2 4.22Å; V131-Y149 HydrophobicContact CG1-CD2 3.73Å; V131-Y149 HydrophobicContact CG1-CE2 3.97Å; V131-Y183 HydrophobicContact CB-CD1 4.46Å; V131-Y183 HydrophobicContact CG1-CD1 4.49Å; V131-Y183 HydrophobicContact CG1-CE1 4.29Å; V131-Y183 HydrophobicContact CG2-CD1 4.08Å; V131-Y183 HydrophobicContact CG2-CE1 3.96Å
132	V	85.1	Confident	86.6	Confident	32 Å²	32	49.7 Å²	49.7	19%	0.194	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-45.9	175	-177.2	0	0	0	0	110.7	R148 Y149 V182 S184	V132-R148 CarbonylContact O-C 3.47Å; V132-R148 WeakPolarHBondContact O-CA 3.42Å; V132-Y149 PolarHBondContact O-N 3.28Å; V132-V182 HydrophobicContact CB-CG1 4.28Å; V132-V182 PolarHBondContact N-O 2.64Å; V132-S184 VanDerWaalsContact CG2-OG 3.27Å; V132-S184 WeakPolarHBondContact CG2-OG 3.43Å
133	C	88.1	Confident	86.9	Confident	10 Å²	10	53.4 Å²	53.4	7%	0.068	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.6	175.2	-164.9	0	0	0	0	110	R147 R148 S181 V182	C133-R147 WeakPolarHBondContact CA-O 3.39Å; C133-R148 HydrophobicContact CB-CG 4.25Å; C133-S181 CarbonylContact O-C 3.57Å; C133-S181 WeakPolarHBondContact O-CA 3.48Å; C133-S181 WeakPolarHBondContact O-CB 3.2Å; C133-V182 HydrophobicContact CB-CB 4.3Å; C133-V182 PolarHBondContact N-O 3.27Å; C133-V182 PolarHBondContact O-N 2.87Å
134	S	89.8	Confident	87.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.2	167	60.9	0	0	0	0	110.6	H136 R147 Y149 S181	S134-H136 WeakPolarHBondContact CB-NE2 3.5Å; S134-H136 PolarHBondContact OG-NE2 2.93Å; S134-R147 PolarHBondContact N-O 3.3Å; S134-R147 PolarHBondContact O-N 2.92Å; S134-R147 PolarHBondContact OG-O 3.09Å; S134-Y149 VanDerWaalsContact OG-CE2 3.23Å; S134-Y149 WeakPolarHBondContact OG-CE2 3.42Å; S134-Y149 PolarHBondContact OG-OH 3.18Å; S134-S181 WeakPolarHBondContact CA-OG 3.48Å
135	V	91.6	Very high	87.3	Confident	12 Å²	12	56 Å²	56	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.5	172.5	-175.6	0	0	0	0	107.8	T144 E146 E177 L180 S181	V135-T144 HydrophobicContact CG1-CG2 4.42Å; V135-E146 HydrophobicContact CG2-CG 4.38Å; V135-E177 HydrophobicContact CB-CB 4.38Å; V135-E177 HydrophobicContact CG1-CB 4.41Å; V135-E177 PolarHBondContact O-N 3.37Å; V135-L180 HydrophobicContact CB-CB 3.95Å; V135-L180 HydrophobicContact CG1-CB 4.27Å; V135-L180 HydrophobicContact CG1-CD1 4.36Å; V135-L180 HydrophobicContact CG2-CB 3.75Å; V135-L180 WeakPolarHBondContact CG2-O 3Å; V135-S181 PolarHBondContact N-OG 3.35Å; V135-S181 VanDerWaalsContact N-OG 3.08Å
136	H	90.3	Very high	87.5	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.7	175.8	-57.5	-102	0	0	0	109.4	S134 T144 I145 Y149 Y164 L174 E175 T176	S134-H136 WeakPolarHBondContact CB-NE2 3.5Å; S134-H136 PolarHBondContact OG-NE2 2.93Å; H136-T144 CarbonylContact O-C 3.52Å; H136-T144 VanDerWaalsContact O-CA 3.23Å; H136-T144 WeakPolarHBondContact O-CA 3.16Å; H136-I145 PolarHBondContact N-O 3Å; H136-I145 PolarHBondContact O-N 3.1Å; H136-Y149 PolarHBondContact NE2-OH 3.09Å; H136-Y164 WeakPolarHBondContact CE1-CB 3.26Å; H136-Y164 AromaticContact CE1-CD1 3.02Å; H136-Y164 WeakPolarHBondContact CE1-CD1 3.44Å; H136-Y164 AromaticContact CE1-CG 3.39Å; H136-Y164 AromaticContact NE2-CD1 3.62Å; H136-L174 HydrophobicContact CB-CB 4.27Å; H136-L174 HydrophobicContact CB-CD1 4.36Å; H136-L174 HydrophobicContact CB-CD2 3.79Å; H136-L174 HydrophobicContact CB-CG 4.37Å; H136-E175 CarbonylContact C-O 3.49Å; H136-E175 WeakPolarHBondContact CA-O 3.48Å; H136-T176 WeakPolarHBondContact CE1-CG2 3.44Å; H136-T176 WeakPolarHBondContact ND1-CG2 3.23Å
137	Y	90.5	Very high	87.6	Confident	66 Å²	66	60.7 Å²	60.7	26%	0.259	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.9	174.7	177.4	-109.9	0	0	0	109.7	P139 K142 T144 E175	Y137-P139 HydrophobicContact CE1-CB 4.07Å; Y137-P139 WeakPolarHBondContact O-CD 3.41Å; Y137-K142 HydrophobicContact CE2-CB 4.39Å; Y137-T144 HydrophobicContact CD2-CG2 3.98Å; Y137-E175 PolarHBondContact N-O 3.31Å; Y137-E175 PolarHBondContact O-N 3.09Å
138	C	87.2	Confident	87.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.324	C	S	.	.			trans	-97.9	110.8	171.1	175.9	0	0	0	0	109.5	A140 T141 K142 K143 D168 N172 L174	C138-A140 PolarHBondContact O-N 2.87Å; C138-T141 VanDerWaalsContact CB-OG1 3.28Å; C138-T141 WeakPolarHBondContact CB-OG1 3.39Å; C138-T141 PolarHBondContact O-N 2.72Å; C138-T141 PolarHBondContact SG-N 2.67Å; C138-T141 PolarHBondContact SG-OG1 3.23Å; C138-T141 VanDerWaalsContact SG-OG1 3.38Å; C138-K142 VanDerWaalsContact O-CA 3.29Å; C138-K142 WeakPolarHBondContact O-CA 3.28Å; C138-K142 PolarHBondContact O-N 2.73Å; C138-K143 PolarHBondContact N-O 3.39Å; C138-D168 WeakPolarHBondContact CB-OD2 3.5Å; C138-D168 PolarHBondContact SG-OD2 2.83Å; C138-N172 VanDerWaalsContact SG-CB 3.55Å; C138-L174 HydrophobicContact CB-CD2 3.79Å
139	P	87.1	Confident	87.4	Confident	74 Å²	74	62 Å²	62	48%	0.481	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21	-178	25.9	-34.3	0	0	0	113.6	Y137	Y137-P139 HydrophobicContact CE1-CB 4.07Å; Y137-P139 WeakPolarHBondContact O-CD 3.41Å
140	A	85.9	Confident	86.9	Confident	70 Å²	70	58.3 Å²	58.3	58%	0.579	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-46.2	177.2	0	0	0	0	0	112.6	C138 N172	C138-A140 PolarHBondContact O-N 2.87Å; A140-N172 HydrophobicContact CB-CB 4.3Å
141	T	84.9	Confident	86.5	Confident	33 Å²	33	59.8 Å²	59.8	20%	0.202	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-16.2	-178	66.4	0	0	0	0	113.3	C138 K143 E170 N172	C138-T141 VanDerWaalsContact CB-OG1 3.28Å; C138-T141 WeakPolarHBondContact CB-OG1 3.39Å; C138-T141 PolarHBondContact O-N 2.72Å; C138-T141 PolarHBondContact SG-N 2.67Å; C138-T141 PolarHBondContact SG-OG1 3.23Å; C138-T141 VanDerWaalsContact SG-OG1 3.38Å; T141-K143 HydrophobicContact CG2-CD 4.49Å; T141-K143 PolarHBondContact O-N 2.85Å; T141-K143 WeakPolarHBondContact OG1-CB 3.35Å; T141-K143 WeakPolarHBondContact OG1-CG 3.34Å; T141-K143 PolarHBondContact OG1-N 3.22Å; T141-E170 VanDerWaalsContact CG2-OE2 3.23Å; T141-E170 WeakPolarHBondContact CG2-OE2 3.49Å; T141-N172 WeakPolarHBondContact CG2-ND2 3.37Å
142	K	85.2	Confident	86.2	Confident	162 Å²	162	60.2 Å²	60.2	70%	0.704	30%	0.3	S	S	*	.			trans	57.9	20	-170.9	-53.6	-175.9	179.4	179.9	0	114.2	Y137 C138	Y137-K142 HydrophobicContact CE2-CB 4.39Å; C138-K142 VanDerWaalsContact O-CA 3.29Å; C138-K142 WeakPolarHBondContact O-CA 3.28Å; C138-K142 PolarHBondContact O-N 2.73Å
143	K	87	Confident	85.9	Confident	104 Å²	104	59.5 Å²	59.5	45%	0.452	30%	0.296	S	S	.	.			trans	-87.1	138.4	174.8	-59.5	167.4	-170.6	164.7	0	109.1	C138 T141 E170	C138-K143 PolarHBondContact N-O 3.39Å; T141-K143 HydrophobicContact CG2-CD 4.49Å; T141-K143 PolarHBondContact O-N 2.85Å; T141-K143 WeakPolarHBondContact OG1-CB 3.35Å; T141-K143 WeakPolarHBondContact OG1-CG 3.34Å; T141-K143 PolarHBondContact OG1-N 3.22Å; K143-E170 IonicContact NZ-OE1 2.75Å; K143-E170 PolarHBondContact NZ-OE1 3.3Å
144	T	86.2	Confident	85.4	Confident	88 Å²	88	60.3 Å²	60.3	54%	0.54	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	143	159.8	46	0	0	0	0	109.8	V135 H136 Y137	V135-T144 HydrophobicContact CG1-CG2 4.42Å; H136-T144 CarbonylContact O-C 3.52Å; H136-T144 VanDerWaalsContact O-CA 3.23Å; H136-T144 WeakPolarHBondContact O-CA 3.16Å; Y137-T144 HydrophobicContact CD2-CG2 3.98Å
145	I	87.5	Confident	84.6	Confident	62 Å²	62	62.2 Å²	62.2	32%	0.318	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.8	179.2	-60.8	-178.4	0	0	0	108	H136 D168 L174	H136-I145 PolarHBondContact N-O 3Å; H136-I145 PolarHBondContact O-N 3.1Å; I145-D168 VanDerWaalsContact CD1-OD1 3.25Å; I145-D168 WeakPolarHBondContact CD1-OD1 3.49Å; I145-L174 HydrophobicContact CD1-CD1 4.45Å; I145-L174 HydrophobicContact CD1-CD2 4.17Å
146	E	87.5	Confident	83.6	Confident	132 Å²	132	67.1 Å²	67.1	62%	0.617	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.2	173.7	-67.3	-174.7	-161	0	0	110.8	V135	V135-E146 HydrophobicContact CG2-CG 4.38Å
147	R	85.5	Confident	82.2	Confident	114 Å²	114	71.5 Å²	71.5	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	104.4	175.2	-173.8	61.5	173.3	-179.6	-1.4	110.4	C133 S134 Y149	C133-R147 WeakPolarHBondContact CA-O 3.39Å; S134-R147 PolarHBondContact N-O 3.3Å; S134-R147 PolarHBondContact O-N 2.92Å; S134-R147 PolarHBondContact OG-O 3.09Å; R147-Y149 HydrophobicContact CG-CE1 3.97Å; R147-Y149 HydrophobicContact CG-CE2 4.27Å; R147-Y149 WeakPolarHBondContact O-CE2 3.45Å
148	R	85.3	Confident	81.2	Confident	152 Å²	152	77.2 Å²	77.2	57%	0.574	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.6	170.6	-66.1	-177.5	179.8	-123.6	-6.6	111.1	E87 V132 C133	E87-R148 IonicContact OE1-NH1 2.76Å; V132-R148 CarbonylContact O-C 3.47Å; V132-R148 WeakPolarHBondContact O-CA 3.42Å; C133-R148 HydrophobicContact CB-CG 4.25Å
149	Y	85.5	Confident	80.5	Confident	26 Å²	26	80.4 Å²	80.4	10%	0.102	41%	0.405	C	S	.	.			trans	-115.7	116.7	175.4	-60.2	-79.6	0	0	0	110.6	V131 V132 S134 H136 R147 S160 Y164	V131-Y149 HydrophobicContact CB-CD2 4.22Å; V131-Y149 HydrophobicContact CG1-CD2 3.73Å; V131-Y149 HydrophobicContact CG1-CE2 3.97Å; V132-Y149 PolarHBondContact O-N 3.28Å; S134-Y149 VanDerWaalsContact OG-CE2 3.23Å; S134-Y149 WeakPolarHBondContact OG-CE2 3.42Å; S134-Y149 PolarHBondContact OG-OH 3.18Å; H136-Y149 PolarHBondContact NE2-OH 3.09Å; R147-Y149 HydrophobicContact CG-CE1 3.97Å; R147-Y149 HydrophobicContact CG-CE2 4.27Å; R147-Y149 WeakPolarHBondContact O-CE2 3.45Å; Y149-S160 WeakPolarHBondContact CA-OG 3.33Å; Y149-Y164 HydrophobicContact CE2-CE1 4.27Å; Y149-Y164 VanDerWaalsContact OH-CD1 3.3Å; Y149-Y164 WeakPolarHBondContact OH-CD1 3.41Å
150	A	80.8	Confident	79.9	Confident	10 Å²	10	78.7 Å²	78.7	8%	0.083	40%	0.395	C	S	.	.			trans	-100.5	146.6	164.7	0	0	0	0	0	109.6	E156 Y158 S160	A150-E156 HydrophobicContact CB-CB 4.19Å; A150-Y158 VanDerWaalsContact CB-O 3.3Å; A150-Y158 WeakPolarHBondContact CB-O 3.48Å; A150-S160 PolarHBondContact N-OG 2.82Å; A150-S160 VanDerWaalsContact N-OG 3.16Å; A150-S160 WeakPolarHBondContact O-CB 3.43Å; A150-S160 PolarHBondContact O-N 2.99Å; A150-S160 PolarHBondContact O-OG 3.42Å
151	D	78.8	Confident	79.4	Confident	70 Å²	70	80.6 Å²	80.6	37%	0.374	40%	0.399	S	S	.	.			trans	-133	166.7	174	171.2	53.2	0	0	0	109.2	T153 S154	D151-T153 PolarHBondContact O-N 3.48Å; D151-T153 VanDerWaalsContact O-N 3.15Å; D151-T153 WeakPolarHBondContact OD2-CB 3.44Å; D151-T153 WeakPolarHBondContact OD2-CG2 3.47Å; D151-T153 PolarHBondContact OD2-N 3.03Å; D151-T153 PolarHBondContact OD2-OG1 3.09Å; D151-S154 WeakPolarHBondContact O-CB 3.48Å; D151-S154 PolarHBondContact O-N 3.49Å
152	L	80.1	Confident	78.8	Confident	46 Å²	46	82.4 Å²	82.4	24%	0.241	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.9	175	-65.7	165.9	0	0	0	113.7	P159 R232 L234 P235	L152-P159 HydrophobicContact CD2-CB 4.46Å; L152-P159 HydrophobicContact CD2-CG 4.12Å; L152-P159 HydrophobicContact CG-CB 4.14Å; L152-P159 HydrophobicContact CG-CG 4.24Å; L152-R232 PolarHBondContact O-NE 2.79Å; L152-R232 PolarHBondContact O-NH1 2.8Å; L152-L234 HydrophobicContact CB-CD2 3.73Å; L152-P235 HydrophobicContact CD1-CG 3.88Å
153	T	79.1	Confident	78.6	Confident	17 Å²	17	77.6 Å²	77.6	10%	0.104	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.4	167.1	54.5	0	0	0	0	113.2	K130 D151 L210 L234 I251	K130-T153 PolarHBondContact NZ-OG1 2.97Å; D151-T153 PolarHBondContact O-N 3.48Å; D151-T153 VanDerWaalsContact O-N 3.15Å; D151-T153 WeakPolarHBondContact OD2-CB 3.44Å; D151-T153 WeakPolarHBondContact OD2-CG2 3.47Å; D151-T153 PolarHBondContact OD2-N 3.03Å; D151-T153 PolarHBondContact OD2-OG1 3.09Å; T153-L210 HydrophobicContact CG2-CD1 3.61Å; T153-L234 HydrophobicContact CG2-CD1 4.38Å; T153-I251 VanDerWaalsContact O-CD1 3.23Å; T153-I251 WeakPolarHBondContact O-CD1 3.4Å
154	S	77.3	Confident	78.5	Confident	27 Å²	27	77.2 Å²	77.2	19%	0.189	41%	0.411	C	S	.	.	S	Bend	trans	-75.4	153.8	-179.5	-57.4	0	0	0	0	112	K130 D151 E156 R232	K130-S154 PolarHBondContact NZ-OG 2.8Å; D151-S154 WeakPolarHBondContact O-CB 3.48Å; D151-S154 PolarHBondContact O-N 3.49Å; S154-E156 PolarHBondContact O-N 2.81Å; S154-E156 VanDerWaalsContact O-N 3.08Å; S154-R232 PolarHBondContact O-NH1 3.49Å
155	L	73.1	Confident	78.3	Confident	40 Å²	40	75 Å²	75	21%	0.209	40%	0.398	C	S	.	.	S	Bend	trans	-60	-20.3	-177.5	-75.8	163.2	0	0	0	114.8	C60 I63 V64	C60-L155 HydrophobicContact CB-CD2 4.35Å; I63-L155 HydrophobicContact CG2-CD1 3.75Å; V64-L155 HydrophobicContact CG2-CB 4.13Å; V64-L155 HydrophobicContact CG2-CD1 4.34Å
156	E	70.4	Confident	78.1	Confident	116 Å²	116	76.7 Å²	76.7	54%	0.542	41%	0.412	S	S	.	.	S	Bend	trans	-72.5	148.8	178.5	-60.2	-162.5	143.9	0	0	112.5	A150 S154 R232	A150-E156 HydrophobicContact CB-CB 4.19Å; S154-E156 PolarHBondContact O-N 2.81Å; S154-E156 VanDerWaalsContact O-N 3.08Å; E156-R232 PolarHBondContact O-NH2 3.22Å
157	P	61.6	Low	77.9	Confident	92 Å²	92	76.4 Å²	76.4	60%	0.597	41%	0.408	S	S	*	.	S	Bend	trans	-81.3	-13.3	-175.3	30.4	-34.7	0	0	0	114.5
158	Y	70.1	Confident	77.5	Confident	187 Å²	187	71.9 Å²	71.9	73%	0.733	39%	0.393	S	S	*	.	S	Bend	trans	-110.6	109.3	-171.8	-63.3	-65.6	0	0	0	112.1	A150 S160	A150-Y158 VanDerWaalsContact CB-O 3.3Å; A150-Y158 WeakPolarHBondContact CB-O 3.48Å; Y158-S160 PolarHBondContact O-N 3.43Å
159	P	71.9	Confident	77.3	Confident	66 Å²	66	73.3 Å²	73.3	43%	0.429	41%	0.412	S	S	.	.			trans	-68.7	126.2	171.4	27.2	-32.2	0	0	0	110.6	L152	L152-P159 HydrophobicContact CD2-CB 4.46Å; L152-P159 HydrophobicContact CD2-CG 4.12Å; L152-P159 HydrophobicContact CG-CB 4.14Å; L152-P159 HydrophobicContact CG-CG 4.24Å
160	S	73.7	Confident	76.9	Confident	38 Å²	38	77.6 Å²	77.6	27%	0.266	43%	0.433	S	S	.	.			trans	-75.4	157.8	172.6	67.9	0	0	0	0	111.5	Y149 A150 Y158 G162	Y149-S160 WeakPolarHBondContact CA-OG 3.33Å; A150-S160 PolarHBondContact N-OG 2.82Å; A150-S160 VanDerWaalsContact N-OG 3.16Å; A150-S160 WeakPolarHBondContact O-CB 3.43Å; A150-S160 PolarHBondContact O-N 2.99Å; A150-S160 PolarHBondContact O-OG 3.42Å; Y158-S160 PolarHBondContact O-N 3.43Å; S160-G162 PolarHBondContact O-N 2.83Å
161	V	76.6	Confident	76.9	Confident	110 Å²	110	79.1 Å²	79.1	67%	0.667	45%	0.449	S	S	*	.			trans	-75.6	109.2	167.3	-178.4	0	0	0	0	107.8	A163	V161-A163 HydrophobicContact CG1-CB 4.09Å; V161-A163 PolarHBondContact O-N 3.47Å
162	G	72.1	Confident	77.2	Confident	72 Å²	72	78.1 Å²	78.1	74%	0.742	44%	0.444	S	S	*	.			trans	-70.8	31.4	-179.3	0	0	0	0	0	115.6	S160	S160-G162 PolarHBondContact O-N 2.83Å
163	A	80.8	Confident	77.4	Confident	61 Å²	61	82 Å²	82	50%	0.504	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-99.2	134.3	171.5	0	0	0	0	0	109.4	V161	V161-A163 HydrophobicContact CG1-CB 4.09Å; V161-A163 PolarHBondContact O-N 3.47Å
164	Y	83.9	Confident	77.7	Confident	95 Å²	95	82.3 Å²	82.3	37%	0.373	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-65.8	131.1	170.8	-69.1	-66.7	0	0	0	110.2	H136 Y149 T166 T176	H136-Y164 WeakPolarHBondContact CE1-CB 3.26Å; H136-Y164 AromaticContact CE1-CD1 3.02Å; H136-Y164 WeakPolarHBondContact CE1-CD1 3.44Å; H136-Y164 AromaticContact CE1-CG 3.39Å; H136-Y164 AromaticContact NE2-CD1 3.62Å; Y149-Y164 HydrophobicContact CE2-CE1 4.27Å; Y149-Y164 VanDerWaalsContact OH-CD1 3.3Å; Y149-Y164 WeakPolarHBondContact OH-CD1 3.41Å; Y164-T166 PolarHBondContact O-N 2.77Å; Y164-T176 HydrophobicContact CD1-CG2 4.4Å
165	P	82.4	Confident	78.2	Confident	41 Å²	41	87 Å²	87	27%	0.266	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-64	117.1	169.8	27.3	-34.1	0	0	0	109.4	L174	P165-L174 HydrophobicContact CB-CD1 3.99Å; P165-L174 HydrophobicContact CG-CD1 4.3Å
166	T	83.8	Confident	79	Confident	98 Å²	98	86.6 Å²	86.6	60%	0.601	48%	0.483	S	S	*	.			trans	-92	-9.9	178.3	52.2	0	0	0	0	113.1	Y164 L174	Y164-T166 PolarHBondContact O-N 2.77Å; T166-L174 PolarHBondContact O-N 3.28Å; T166-L174 VanDerWaalsContact O-N 3.11Å
167	K	83.2	Confident	79.9	Confident	127 Å²	127	84.2 Å²	84.2	55%	0.552	47%	0.472	S	S	*	.	B	Isolated β-bridge	trans	-144.7	147.9	-178.9	-63	-174.5	178.9	-172.3	0	112.8	N172 L173	K167-N172 CarbonylContact C-O 3.5Å; K167-N172 WeakPolarHBondContact CA-O 3.34Å; K167-L173 HydrophobicContact CG-CD2 4.37Å
168	D	78.1	Confident	81.2	Confident	18 Å²	18	86.7 Å²	86.7	10%	0.096	47%	0.47	C	S	.	.			trans	-66.4	165.5	164.9	-77.9	-13.1	0	0	0	111.9	C138 I145 E170 G171 N172 L174	C138-D168 WeakPolarHBondContact CB-OD2 3.5Å; C138-D168 PolarHBondContact SG-OD2 2.83Å; I145-D168 VanDerWaalsContact CD1-OD1 3.25Å; I145-D168 WeakPolarHBondContact CD1-OD1 3.49Å; D168-E170 HydrophobicContact CB-CB 4.26Å; D168-E170 PolarHBondContact O-N 3.04Å; D168-G171 WeakPolarHBondContact O-CA 3.37Å; D168-G171 PolarHBondContact O-N 3.25Å; D168-N172 HydrophobicContact CB-CB 4.26Å; D168-N172 PolarHBondContact N-O 2.9Å; D168-L174 WeakPolarHBondContact OD1-CD2 3.39Å
169	D	80.6	Confident	82.1	Confident	182 Å²	182	81.6 Å²	81.6	97%	0.973	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.1	163.7	-61.2	-43.2	0	0	0	112.4	G171	D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.26Å
170	E	76.2	Confident	82.8	Confident	117 Å²	117	83.9 Å²	83.9	55%	0.547	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.7	175	-64	173.3	-148.1	0	0	113	T141 K143 D168 N172	T141-E170 VanDerWaalsContact CG2-OE2 3.23Å; T141-E170 WeakPolarHBondContact CG2-OE2 3.49Å; K143-E170 IonicContact NZ-OE1 2.75Å; K143-E170 PolarHBondContact NZ-OE1 3.3Å; D168-E170 HydrophobicContact CB-CB 4.26Å; D168-E170 PolarHBondContact O-N 3.04Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 WeakPolarHBondContact CB-ND2 3.3Å; E170-N172 PolarHBondContact O-N 3.16Å; E170-N172 PolarHBondContact OE2-ND2 3.07Å
171	G	80.8	Confident	83.5	Confident	41 Å²	41	82.7 Å²	82.7	42%	0.423	47%	0.474	S	S	.	.			trans	81	-4.8	-179.9	0	0	0	0	0	115.7	D168 D169	D168-G171 WeakPolarHBondContact O-CA 3.37Å; D168-G171 PolarHBondContact O-N 3.25Å; D169-G171 VanDerWaalsContact C-N 3.26Å; D169-G171 PolarHBondContact O-N 3.26Å
172	N	85.3	Confident	84	Confident	50 Å²	50	80.6 Å²	80.6	27%	0.267	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.1	148.5	173.1	-60.1	-51.2	0	0	0	111.2	C138 A140 T141 K167 D168 E170	C138-N172 VanDerWaalsContact SG-CB 3.55Å; A140-N172 HydrophobicContact CB-CB 4.3Å; T141-N172 WeakPolarHBondContact CG2-ND2 3.37Å; K167-N172 CarbonylContact C-O 3.5Å; K167-N172 WeakPolarHBondContact CA-O 3.34Å; D168-N172 HydrophobicContact CB-CB 4.26Å; D168-N172 PolarHBondContact N-O 2.9Å; E170-N172 VanDerWaalsContact C-N 3.27Å; E170-N172 WeakPolarHBondContact CB-ND2 3.3Å; E170-N172 PolarHBondContact O-N 3.16Å; E170-N172 PolarHBondContact OE2-ND2 3.07Å
173	L	84.3	Confident	84.8	Confident	127 Å²	127	81.4 Å²	81.4	67%	0.665	44%	0.443	S	S	*	.	B	Isolated β-bridge	trans	-74.5	137	176.7	-66.2	171.1	0	0	0	111.4	K167	K167-L173 HydrophobicContact CG-CD2 4.37Å
174	L	86.4	Confident	85.1	Confident	24 Å²	24	79 Å²	79	13%	0.126	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-97.3	133.7	173	-79	166.2	0	0	0	111.3	H136 C138 I145 P165 T166 D168	H136-L174 HydrophobicContact CB-CB 4.27Å; H136-L174 HydrophobicContact CB-CD1 4.36Å; H136-L174 HydrophobicContact CB-CD2 3.79Å; H136-L174 HydrophobicContact CB-CG 4.37Å; C138-L174 HydrophobicContact CB-CD2 3.79Å; I145-L174 HydrophobicContact CD1-CD1 4.45Å; I145-L174 HydrophobicContact CD1-CD2 4.17Å; P165-L174 HydrophobicContact CB-CD1 3.99Å; P165-L174 HydrophobicContact CG-CD1 4.3Å; T166-L174 PolarHBondContact O-N 3.28Å; T166-L174 VanDerWaalsContact O-N 3.11Å; D168-L174 WeakPolarHBondContact OD1-CD2 3.39Å
175	E	87.9	Confident	85.5	Confident	124 Å²	124	78.4 Å²	78.4	58%	0.579	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.6	170.1	-173	164.5	-167.1	0	0	109.8	H136 Y137	H136-E175 CarbonylContact C-O 3.49Å; H136-E175 WeakPolarHBondContact CA-O 3.48Å; Y137-E175 PolarHBondContact N-O 3.31Å; Y137-E175 PolarHBondContact O-N 3.09Å
176	T	88.6	Confident	85.8	Confident	33 Å²	33	78 Å²	78	20%	0.202	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.2	-176.3	28.1	0	0	0	0	110.8	H136 Y164 Y178	H136-T176 WeakPolarHBondContact CE1-CG2 3.44Å; H136-T176 WeakPolarHBondContact ND1-CG2 3.23Å; Y164-T176 HydrophobicContact CD1-CG2 4.4Å; T176-Y178 VanDerWaalsContact C-N 3.32Å; T176-Y178 VanDerWaalsContact O-CD2 3.25Å; T176-Y178 WeakPolarHBondContact O-CD2 3.49Å; T176-Y178 PolarHBondContact O-N 2.9Å; T176-Y178 WeakPolarHBondContact OG1-CE2 3.16Å; T176-Y178 VanDerWaalsContact OG1-CZ 3.25Å; T176-Y178 PolarHBondContact OG1-OH 3.18Å; T176-Y178 VanDerWaalsContact OG1-OH 3.13Å
177	E	89.8	Confident	86.1	Confident	65 Å²	65	73.6 Å²	73.6	30%	0.304	39%	0.393	S	S	.	.			trans	-83.6	79	175.9	-66.6	-165.5	151.4	0	0	110.2	V135 G179 L180 S181	V135-E177 HydrophobicContact CB-CB 4.38Å; V135-E177 HydrophobicContact CG1-CB 4.41Å; V135-E177 PolarHBondContact O-N 3.37Å; E177-G179 PolarHBondContact O-N 3.12Å; E177-G179 VanDerWaalsContact O-N 3.1Å; E177-L180 PolarHBondContact O-N 3.31Å; E177-L180 VanDerWaalsContact O-N 3.11Å; E177-L180 WeakPolarHBondContact OE2-CD1 3.47Å; E177-S181 PolarHBondContact O-N 3.35Å; E177-S181 PolarHBondContact O-OG 3.33Å
178	Y	88.8	Confident	86.4	Confident	144 Å²	144	69.2 Å²	69.2	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.9	-179.5	-61	-77.7	0	0	0	113.5	T176 S181	T176-Y178 VanDerWaalsContact C-N 3.32Å; T176-Y178 VanDerWaalsContact O-CD2 3.25Å; T176-Y178 WeakPolarHBondContact O-CD2 3.49Å; T176-Y178 PolarHBondContact O-N 2.9Å; T176-Y178 WeakPolarHBondContact OG1-CE2 3.16Å; T176-Y178 VanDerWaalsContact OG1-CZ 3.25Å; T176-Y178 PolarHBondContact OG1-OH 3.18Å; T176-Y178 VanDerWaalsContact OG1-OH 3.13Å; Y178-S181 PolarHBondContact O-N 2.82Å
179	G	88.2	Confident	87	Confident	80 Å²	80	68.4 Å²	68.4	83%	0.825	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.1	-179.1	0	0	0	0	0	115.7	E177	E177-G179 PolarHBondContact O-N 3.12Å; E177-G179 VanDerWaalsContact O-N 3.1Å
180	L	87	Confident	87.5	Confident	115 Å²	115	61.3 Å²	61.3	60%	0.602	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-6.9	170.2	-59.6	-173.8	0	0	0	112.2	V135 E177	V135-L180 HydrophobicContact CB-CB 3.95Å; V135-L180 HydrophobicContact CG1-CB 4.27Å; V135-L180 HydrophobicContact CG1-CD1 4.36Å; V135-L180 HydrophobicContact CG2-CB 3.75Å; V135-L180 WeakPolarHBondContact CG2-O 3Å; E177-L180 PolarHBondContact O-N 3.31Å; E177-L180 VanDerWaalsContact O-N 3.11Å; E177-L180 WeakPolarHBondContact OE2-CD1 3.47Å
181	S	88	Confident	88.2	Confident	12 Å²	12	55.8 Å²	55.8	8%	0.084	31%	0.31	C	S	.	.			trans	-76.8	138.4	178.9	-60.6	0	0	0	0	110.8	C133 S134 V135 E177 Y178 Y183	C133-S181 CarbonylContact O-C 3.57Å; C133-S181 WeakPolarHBondContact O-CA 3.48Å; C133-S181 WeakPolarHBondContact O-CB 3.2Å; S134-S181 WeakPolarHBondContact CA-OG 3.48Å; V135-S181 PolarHBondContact N-OG 3.35Å; V135-S181 VanDerWaalsContact N-OG 3.08Å; E177-S181 PolarHBondContact O-N 3.35Å; E177-S181 PolarHBondContact O-OG 3.33Å; Y178-S181 PolarHBondContact O-N 2.82Å; S181-Y183 WeakPolarHBondContact O-CD2 3.27Å; S181-Y183 VanDerWaalsContact O-CE2 3.28Å; S181-Y183 WeakPolarHBondContact O-CE2 3.24Å
182	V	88.3	Confident	88.6	Confident	66 Å²	66	56.9 Å²	56.9	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125	-175.1	-178.3	0	0	0	0	110.2	V132 C133	V132-V182 HydrophobicContact CB-CG1 4.28Å; V132-V182 PolarHBondContact N-O 2.64Å; C133-V182 HydrophobicContact CB-CB 4.3Å; C133-V182 PolarHBondContact N-O 3.27Å; C133-V182 PolarHBondContact O-N 2.87Å
183	Y	88.9	Confident	88.7	Confident	90 Å²	90	54.8 Å²	54.8	35%	0.353	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.8	176.2	-51.5	-91.9	0	0	0	110	K130 V131 S181	K130-Y183 CarbonylContact O-C 3.53Å; K130-Y183 VanDerWaalsContact O-CA 3.3Å; K130-Y183 WeakPolarHBondContact O-CA 3.34Å; V131-Y183 HydrophobicContact CB-CD1 4.46Å; V131-Y183 HydrophobicContact CG1-CD1 4.49Å; V131-Y183 HydrophobicContact CG1-CE1 4.29Å; V131-Y183 HydrophobicContact CG2-CD1 4.08Å; V131-Y183 HydrophobicContact CG2-CE1 3.96Å; S181-Y183 WeakPolarHBondContact O-CD2 3.27Å; S181-Y183 VanDerWaalsContact O-CE2 3.28Å; S181-Y183 WeakPolarHBondContact O-CE2 3.24Å
184	S	87.7	Confident	88.5	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.5	175.9	55.2	0	0	0	0	109.4	K130 V132 H186 N213	K130-S184 WeakPolarHBondContact CB-O 3.29Å; K130-S184 PolarHBondContact N-O 2.78Å; K130-S184 PolarHBondContact O-N 2.82Å; K130-S184 PolarHBondContact O-OG 3.3Å; V132-S184 VanDerWaalsContact CG2-OG 3.27Å; V132-S184 WeakPolarHBondContact CG2-OG 3.43Å; S184-H186 PolarHBondContact O-N 2.9Å; S184-N213 WeakPolarHBondContact CB-OD1 3.41Å
185	D	91.3	Very high	87.8	Confident	84 Å²	84	52.9 Å²	52.9	45%	0.449	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.6	175.9	-66.2	-49.7	0	0	0	110.7	I127 N213 V216	I127-D185 HydrophobicContact CG2-CB 3.92Å; D185-N213 PolarHBondContact O-N 3.16Å; D185-V216 HydrophobicContact CB-CG2 4.12Å
186	H	89.8	Confident	87	Confident	31 Å²	31	52.2 Å²	52.2	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.4	-179.7	167.5	-86.4	0	0	0	109.9	H128 K130 S184 D212	H128-H186 PolarHBondContact N-O 2.8Å; H128-H186 PolarHBondContact O-N 2.95Å; K130-H186 HydrophobicContact CB-CB 4.06Å; K130-H186 HydrophobicContact CD-CB 4.45Å; S184-H186 PolarHBondContact O-N 2.9Å; H186-D212 IonicContact CD2-OD1 3.28Å; H186-D212 PolarHBondContact CD2-OD1 3.44Å
187	Q	89	Confident	86.2	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.028	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.4	177.3	-169.6	-179.5	32.3	0	0	110.4	S125 L211 V216	S125-Q187 PolarHBondContact O-NE2 2.76Å; S125-Q187 WeakPolarHBondContact OG-CG 2.96Å; Q187-L211 HydrophobicContact CB-CB 4.44Å; Q187-L211 PolarHBondContact N-O 3.49Å; Q187-L211 PolarHBondContact O-N 2.7Å; Q187-V216 HydrophobicContact CB-CB 4.5Å; Q187-V216 HydrophobicContact CB-CG1 4.11Å; Q187-V216 HydrophobicContact CB-CG2 3.95Å
188	T	89.9	Confident	85.4	Confident	36 Å²	36	51.6 Å²	51.6	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.9	173.5	-59.1	0	0	0	0	109.6	S125 L210	S125-T188 WeakPolarHBondContact CB-O 3.47Å; S125-T188 PolarHBondContact N-O 2.8Å; S125-T188 PolarHBondContact OG-N 3.4Å; S125-T188 PolarHBondContact OG-O 3.5Å; T188-L210 HydrophobicContact CG2-CD2 4.01Å; T188-L210 WeakPolarHBondContact OG1-CD2 3.28Å
189	I	90.3	Very high	84.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.5	173.6	61.9	163.4	0	0	0	110.4	V121 A124 I191 D208 A209 L211 I227	V121-I189 HydrophobicContact CG1-CB 4.27Å; V121-I189 HydrophobicContact CG2-CD1 3.93Å; A124-I189 HydrophobicContact CB-CG2 3.94Å; I189-I191 HydrophobicContact CD1-CD1 4.1Å; I189-I191 HydrophobicContact CD1-CG1 4.07Å; I189-I191 HydrophobicContact CG1-CG1 4.36Å; I189-D208 WeakPolarHBondContact O-CA 3.43Å; I189-A209 HydrophobicContact CD1-CB 4.34Å; I189-A209 HydrophobicContact CG1-CB 3.96Å; I189-A209 WeakPolarHBondContact CG1-O 3.45Å; I189-A209 PolarHBondContact N-O 3.2Å; I189-A209 PolarHBondContact O-N 2.82Å; I189-L211 HydrophobicContact CD1-CD1 4.06Å; I189-L211 HydrophobicContact CD1-CD2 4.04Å; I189-L211 HydrophobicContact CD1-CG 4.24Å; I189-L211 HydrophobicContact CG1-CD1 4.27Å; I189-L211 HydrophobicContact CG1-CD2 4.31Å; I189-L211 HydrophobicContact CG1-CG 4.17Å; I189-L211 HydrophobicContact CG2-CD1 3.81Å; I189-L211 HydrophobicContact CG2-CG 4.34Å; I189-I227 HydrophobicContact CD1-CD1 3.6Å
190	T	91	Very high	84.1	Confident	33 Å²	33	48.5 Å²	48.5	20%	0.202	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.5	178.6	52.7	0	0	0	0	108.8	V121 T122 K123	V121-T190 WeakPolarHBondContact CA-O 3.34Å; T122-T190 PolarHBondContact N-O 2.8Å; T122-T190 PolarHBondContact OG1-O 2.93Å; T122-T190 PolarHBondContact OG1-OG1 3.12Å; K123-T190 WeakPolarHBondContact CA-OG1 3.4Å; K123-T190 VanDerWaalsContact CB-OG1 3.26Å; K123-T190 WeakPolarHBondContact CB-OG1 2.96Å; K123-T190 PolarHBondContact N-OG1 3.11Å; K123-T190 VanDerWaalsContact N-OG1 3.09Å; K123-T190 PolarHBondContact O-N 2.84Å; K123-T190 PolarHBondContact O-OG1 3.44Å
191	I	91.1	Very high	83.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	-171	-46.5	165.6	0	0	0	108.7	L117 I120 V121 I189 S206 I207 A209 V225 I227	L117-I191 HydrophobicContact CD2-CB 4.2Å; L117-I191 HydrophobicContact CD2-CD1 3.98Å; L117-I191 HydrophobicContact CD2-CG2 3.59Å; I120-I191 WeakPolarHBondContact O-CA 3.34Å; V121-I191 HydrophobicContact CG2-CG1 4.37Å; I189-I191 HydrophobicContact CD1-CD1 4.1Å; I189-I191 HydrophobicContact CD1-CG1 4.07Å; I189-I191 HydrophobicContact CG1-CG1 4.36Å; I191-S206 CarbonylContact O-C 3.58Å; I191-S206 WeakPolarHBondContact O-CA 3.44Å; I191-I207 PolarHBondContact N-O 3Å; I191-I207 PolarHBondContact O-N 3.34Å; I191-A209 HydrophobicContact CD1-CB 3.7Å; I191-V225 HydrophobicContact CG2-CG2 4.36Å; I191-I227 HydrophobicContact CD1-CD1 3.53Å; I191-I227 HydrophobicContact CD1-CG1 4.24Å
192	Q	88.6	Confident	83.4	Confident	64 Å²	64	52.4 Å²	52.4	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.7	179.2	-170.7	163.8	55.2	0	0	111.5	G119 I120 T122 P204 S206	G119-Q192 CarbonylContact C-O 3.54Å; G119-Q192 WeakPolarHBondContact CA-O 3.46Å; I120-Q192 PolarHBondContact N-O 3.43Å; I120-Q192 PolarHBondContact O-N 3Å; T122-Q192 HydrophobicContact CG2-CB 3.63Å; Q192-P204 HydrophobicContact CG-CB 3.98Å; Q192-P204 HydrophobicContact CG-CG 4.28Å; Q192-P204 PolarHBondContact NE2-O 2.97Å; Q192-S206 PolarHBondContact NE2-OG 2.86Å
193	E	87.3	Confident	83	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.033	34%	0.337	C	S	.	.			trans	-56.8	139.3	171.9	-178.6	169.8	-118.5	0	0	111.5	T102 P103 R104 A198 P204 R205	T102-E193 WeakPolarHBondContact CB-OE1 3.36Å; T102-E193 PolarHBondContact OG1-OE1 2.97Å; P103-E193 HydrophobicContact CB-CB 4.32Å; P103-E193 HydrophobicContact CG-CB 4.23Å; R104-E193 WeakPolarHBondContact CB-OE1 3.28Å; R104-E193 IonicContact CZ-OE2 3.15Å; R104-E193 IonicContact NE-OE1 2.62Å; R104-E193 PolarHBondContact NE-OE1 2.86Å; R104-E193 IonicContact NE-OE2 2.68Å; R104-E193 PolarHBondContact NE-OE2 3.42Å; R104-E193 IonicContact NH2-OE2 2.76Å; R104-E193 PolarHBondContact NH2-OE2 3.21Å; E193-A198 HydrophobicContact CG-CB 4.49Å; E193-P204 HydrophobicContact CB-CB 4.37Å; E193-R205 PolarHBondContact N-O 3.45Å
194	M	81.4	Confident	82.7	Confident	20 Å²	20	54.4 Å²	54.4	10%	0.099	33%	0.333	C	S	.	.			trans	-63	133.5	-179.4	-59.9	-171.5	-173.3	0	0	110.5	E118 I120 E196 T197 A198 R224	E118-M194 HydrophobicContact CB-CE 4.07Å; I120-M194 HydrophobicContact CG1-CG 4.36Å; M194-E196 PolarHBondContact O-N 3.04Å; M194-E196 VanDerWaalsContact O-N 3.15Å; M194-T197 PolarHBondContact O-N 3.36Å; M194-A198 PolarHBondContact O-N 3.47Å; M194-A198 VanDerWaalsContact O-N 3.09Å; M194-R224 HydrophobicContact CE-CB 4.29Å; M194-R224 HydrophobicContact CE-CG 4.5Å
195	P	72.1	Confident	82.7	Confident	90 Å²	90	60.7 Å²	60.7	58%	0.584	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.9	-174.8	27.6	-35.8	0	0	0	113.3	T197	P195-T197 VanDerWaalsContact C-N 3.34Å
196	E	70.4	Confident	82.7	Confident	110 Å²	110	59.7 Å²	59.7	51%	0.514	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.6	172.4	-72.5	151	-145.6	0	0	113	M194 R224	M194-E196 PolarHBondContact O-N 3.04Å; M194-E196 VanDerWaalsContact O-N 3.15Å; E196-R224 IonicContact OE1-CZ 3.16Å; E196-R224 IonicContact OE1-NH1 3.13Å; E196-R224 PolarHBondContact OE1-NH1 3.02Å; E196-R224 IonicContact OE1-NH2 2.67Å; E196-R224 PolarHBondContact OE1-NH2 3.1Å; E196-R224 IonicContact OE2-CZ 3.74Å; E196-R224 IonicContact OE2-NH1 2.73Å; E196-R224 PolarHBondContact OE2-NH1 2.75Å; E196-R224 IonicContact OE2-NH2 2.63Å
197	T	71.7	Confident	82.7	Confident	62 Å²	62	58.9 Å²	58.9	38%	0.38	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-19	-179	-38.6	0	0	0	0	112.1	T102 M194 P195	T102-T197 HydrophobicContact CG2-CG2 4.27Å; M194-T197 PolarHBondContact O-N 3.36Å; P195-T197 VanDerWaalsContact C-N 3.34Å
198	A	71.7	Confident	82.9	Confident	23 Å²	23	60 Å²	60	19%	0.19	36%	0.358	C	S	.	.	S	Bend	trans	-70.4	126.4	-178.6	0	0	0	0	0	111.4	E193 M194 A200 P204	E193-A198 HydrophobicContact CG-CB 4.49Å; M194-A198 PolarHBondContact O-N 3.47Å; M194-A198 VanDerWaalsContact O-N 3.09Å; A198-A200 PolarHBondContact O-N 3.08Å; A198-P204 HydrophobicContact CB-CB 4.22Å
199	P	76.5	Confident	83	Confident	54 Å²	54	58.2 Å²	58.2	35%	0.351	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.9	128.7	178.1	26.3	-33.6	0	0	0	111	Q202	P199-Q202 HydrophobicContact CG-CB 4.39Å; P199-Q202 HydrophobicContact CG-CG 4.49Å; P199-Q202 PolarHBondContact O-N 3.06Å
200	A	74.9	Confident	83.1	Confident	105 Å²	105	58.7 Å²	58.7	87%	0.868	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	138.3	-176.9	0	0	0	0	0	112.4	A198 Q202	A198-A200 PolarHBondContact O-N 3.08Å; A200-Q202 VanDerWaalsContact C-N 3.32Å; A200-Q202 PolarHBondContact O-N 3.38Å
201	G	76.4	Confident	83.1	Confident	89 Å²	89	57.1 Å²	57.1	92%	0.918	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-6.1	-178	0	0	0	0	0	115.4
202	Q	83.2	Confident	83	Confident	120 Å²	120	58.6 Å²	58.6	56%	0.561	35%	0.348	S	S	*	.	S	Bend	trans	-106.1	147.7	169.9	-59	-169	20.3	0	0	111.5	P199 A200	P199-Q202 HydrophobicContact CG-CB 4.39Å; P199-Q202 HydrophobicContact CG-CG 4.49Å; P199-Q202 PolarHBondContact O-N 3.06Å; A200-Q202 VanDerWaalsContact C-N 3.32Å; A200-Q202 PolarHBondContact O-N 3.38Å
203	L	79.5	Confident	83	Confident	157 Å²	157	57.5 Å²	57.5	82%	0.822	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-66.6	133.4	171.9	-66.7	169.7	0	0	0	110	R104	R104-L203 PolarHBondContact NH2-O 3.05Å; R104-L203 VanDerWaalsContact NH2-O 3.08Å
204	P	83	Confident	82.9	Confident	42 Å²	42	62.1 Å²	62.1	27%	0.273	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-68.9	131	171.4	26.4	-31.2	0	0	0	109.9	Q192 E193 A198	Q192-P204 HydrophobicContact CG-CB 3.98Å; Q192-P204 HydrophobicContact CG-CG 4.28Å; Q192-P204 PolarHBondContact NE2-O 2.97Å; E193-P204 HydrophobicContact CB-CB 4.37Å; A198-P204 HydrophobicContact CB-CB 4.22Å
205	R	88.7	Confident	83.2	Confident	140 Å²	140	61.7 Å²	61.7	53%	0.528	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-79.7	151.7	-178	-66.9	-170.8	-178.3	175	-0.7	111.3	P103 E193	P103-R205 HydrophobicContact CB-CB 4.4Å; E193-R205 PolarHBondContact N-O 3.45Å
206	S	89.7	Confident	83.9	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.4	176	-50.9	0	0	0	0	111.3	I191 Q192	I191-S206 CarbonylContact O-C 3.58Å; I191-S206 WeakPolarHBondContact O-CA 3.44Å; Q192-S206 PolarHBondContact NE2-OG 2.86Å
207	I	90.8	Very high	84.7	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.072	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.7	178.1	-68.1	179.1	0	0	0	109.1	P103 L106 L117 I191 I250	P103-I207 HydrophobicContact CB-CD1 4.03Å; P103-I207 HydrophobicContact CB-CG1 4.14Å; L106-I207 HydrophobicContact CB-CD1 3.89Å; L106-I207 HydrophobicContact CD1-CD1 3.5Å; L106-I207 HydrophobicContact CG-CD1 4.32Å; L117-I207 HydrophobicContact CD1-CB 4.32Å; L117-I207 HydrophobicContact CD1-CD1 4.29Å; L117-I207 HydrophobicContact CD1-CG2 4.35Å; I191-I207 PolarHBondContact N-O 3Å; I191-I207 PolarHBondContact O-N 3.34Å; I207-I250 HydrophobicContact CG2-CD1 4.08Å; I207-I250 HydrophobicContact CG2-CG1 4.34Å
208	D	91.9	Very high	85.3	Confident	29 Å²	29	57.1 Å²	57.1	16%	0.155	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.7	175.8	-51.6	-31	0	0	0	110.4	I189 R247 V249 I250	I189-D208 WeakPolarHBondContact O-CA 3.43Å; D208-R247 IonicContact OD2-CZ 2.61Å; D208-R247 IonicContact OD2-NE 3.18Å; D208-R247 PolarHBondContact OD2-NE 3.24Å; D208-R247 IonicContact OD2-NH2 2.8Å; D208-R247 PolarHBondContact OD2-NH2 3.08Å; D208-V249 HydrophobicContact CB-CG1 4.31Å; D208-V249 WeakPolarHBondContact O-CA 3.33Å; D208-I250 PolarHBondContact O-N 2.93Å
209	A	92.3	Very high	85.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.8	168.6	0	0	0	0	0	111.2	I189 I191 I250	I189-A209 HydrophobicContact CD1-CB 4.34Å; I189-A209 HydrophobicContact CG1-CB 3.96Å; I189-A209 WeakPolarHBondContact CG1-O 3.45Å; I189-A209 PolarHBondContact N-O 3.2Å; I189-A209 PolarHBondContact O-N 2.82Å; I191-A209 HydrophobicContact CD1-CB 3.7Å; A209-I250 CarbonylContact C-O 3.31Å; A209-I250 VanDerWaalsContact CA-O 3.23Å; A209-I250 WeakPolarHBondContact CA-O 3.5Å; A209-I250 HydrophobicContact CB-CB 4.2Å
210	L	92.7	Very high	86.1	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.058	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	180	-52.4	-179.2	0	0	0	108.9	T153 T188 V249 I250 A252	T153-L210 HydrophobicContact CG2-CD1 3.61Å; T188-L210 HydrophobicContact CG2-CD2 4.01Å; T188-L210 WeakPolarHBondContact OG1-CD2 3.28Å; L210-V249 HydrophobicContact CD1-CG2 4.22Å; L210-V249 HydrophobicContact CG-CB 4.49Å; L210-I250 PolarHBondContact N-O 3.19Å; L210-A252 WeakPolarHBondContact O-CB 3.23Å; L210-A252 PolarHBondContact O-N 3.2Å
211	L	92	Very high	86.3	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	177.4	-50.1	-174.6	0	0	0	108.4	Q187 I189 L215 V216 A252 V255	Q187-L211 HydrophobicContact CB-CB 4.44Å; Q187-L211 PolarHBondContact N-O 3.49Å; Q187-L211 PolarHBondContact O-N 2.7Å; I189-L211 HydrophobicContact CD1-CD1 4.06Å; I189-L211 HydrophobicContact CD1-CD2 4.04Å; I189-L211 HydrophobicContact CD1-CG 4.24Å; I189-L211 HydrophobicContact CG1-CD1 4.27Å; I189-L211 HydrophobicContact CG1-CD2 4.31Å; I189-L211 HydrophobicContact CG1-CG 4.17Å; I189-L211 HydrophobicContact CG2-CD1 3.81Å; I189-L211 HydrophobicContact CG2-CG 4.34Å; L211-L215 HydrophobicContact CB-CB 4.14Å; L211-L215 WeakPolarHBondContact CD1-O 3.46Å; L211-V216 HydrophobicContact CB-CG2 4.46Å; L211-A252 HydrophobicContact CD2-CB 3.55Å; L211-V255 HydrophobicContact CD2-CG2 3.82Å
212	D	89.2	Confident	86.2	Confident	30 Å²	30	53.2 Å²	53.2	16%	0.16	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.9	178.1	-73.8	-44.3	0	0	0	111.2	R36 H186 D214	R36-D212 PolarHBondContact NH2-O 3.23Å; H186-D212 IonicContact CD2-OD1 3.28Å; H186-D212 PolarHBondContact CD2-OD1 3.44Å; D212-D214 PolarHBondContact O-N 3.42Å
213	N	86.8	Confident	86.1	Confident	42 Å²	42	48.4 Å²	48.4	23%	0.225	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	56.9	-126.3	176.4	-53.3	-76.8	0	0	0	112.5	F89 S184 D185 L215 V216	F89-N213 HydrophobicContact CE2-CB 4.45Å; F89-N213 WeakPolarHBondContact CZ-ND2 3.46Å; S184-N213 WeakPolarHBondContact CB-OD1 3.41Å; D185-N213 PolarHBondContact O-N 3.16Å; N213-L215 PolarHBondContact O-N 2.91Å; N213-V216 WeakPolarHBondContact O-CB 3.46Å; N213-V216 VanDerWaalsContact O-CG2 3.28Å; N213-V216 WeakPolarHBondContact O-CG2 3.49Å; N213-V216 PolarHBondContact O-N 2.81Å
214	D	86.3	Confident	86.2	Confident	103 Å²	103	43.2 Å²	43.2	55%	0.551	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-55.5	-0.1	-175.9	-163.4	42	0	0	0	116.7	D212	D212-D214 PolarHBondContact O-N 3.42Å
215	L	86.8	Confident	86.5	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.063	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-99.6	-10.5	172.2	-69.6	174	0	0	0	113.7	R36 L211 N213 A218 A252 V255	R36-L215 VanDerWaalsContact NH1-CD1 3.3Å; L211-L215 HydrophobicContact CB-CB 4.14Å; L211-L215 WeakPolarHBondContact CD1-O 3.46Å; N213-L215 PolarHBondContact O-N 2.91Å; L215-A218 WeakPolarHBondContact O-CB 3.2Å; L215-A218 PolarHBondContact O-N 3.33Å; L215-A252 HydrophobicContact CD1-CB 4.17Å; L215-A252 WeakPolarHBondContact CD1-O 3.49Å; L215-V255 HydrophobicContact CD1-CG2 4.14Å; L215-V255 HydrophobicContact CD2-CB 4.09Å; L215-V255 HydrophobicContact CD2-CG2 4.1Å
216	V	87.7	Confident	86.5	Confident	27 Å²	27	35.3 Å²	35.3	16%	0.164	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	138.6	179.3	171.2	0	0	0	0	110.7	I127 D185 Q187 L211 N213 A218	I127-V216 HydrophobicContact CB-CG1 4.23Å; I127-V216 HydrophobicContact CD1-CG1 3.47Å; I127-V216 VanDerWaalsContact CD1-CG1 3.47Å; I127-V216 HydrophobicContact CG1-CG1 3.51Å; I127-V216 HydrophobicContact CG2-CG1 3.73Å; D185-V216 HydrophobicContact CB-CG2 4.12Å; Q187-V216 HydrophobicContact CB-CB 4.5Å; Q187-V216 HydrophobicContact CB-CG1 4.11Å; Q187-V216 HydrophobicContact CB-CG2 3.95Å; L211-V216 HydrophobicContact CB-CG2 4.46Å; N213-V216 WeakPolarHBondContact O-CB 3.46Å; N213-V216 VanDerWaalsContact O-CG2 3.28Å; N213-V216 WeakPolarHBondContact O-CG2 3.49Å; N213-V216 PolarHBondContact O-N 2.81Å; V216-A218 PolarHBondContact O-N 3.27Å
217	D	86.5	Confident	86.6	Confident	105 Å²	105	32.3 Å²	32.3	56%	0.561	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	13.2	-174.9	-150.8	42.1	0	0	0	115.5	I127 V219	I127-D217 HydrophobicContact CD1-CB 4.47Å; D217-V219 PolarHBondContact O-N 2.98Å; D217-V219 VanDerWaalsContact O-N 3.15Å
218	A	84.7	Confident	86.7	Confident	33 Å²	33	31.7 Å²	31.7	27%	0.273	17%	0.172	S	C	.	.			trans	-67.5	-12.1	177.1	0	0	0	0	0	113.6	L215 V216 K260	L215-A218 WeakPolarHBondContact O-CB 3.2Å; L215-A218 PolarHBondContact O-N 3.33Å; V216-A218 PolarHBondContact O-N 3.27Å; A218-K260 PolarHBondContact O-NZ 2.86Å
219	V	83.8	Confident	86.6	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.024	16%	0.164	C	C	.	.			trans	-139.3	138.2	-171.4	-173.8	0	0	0	0	110.9	V121 D217 D223 V225 V255	V121-V219 HydrophobicContact CB-CG1 4.12Å; V121-V219 HydrophobicContact CG2-CG1 3.6Å; D217-V219 PolarHBondContact O-N 2.98Å; D217-V219 VanDerWaalsContact O-N 3.15Å; V219-D223 HydrophobicContact CG1-CB 3.78Å; V219-V225 HydrophobicContact CB-CG1 4.34Å; V219-V225 HydrophobicContact CG1-CG1 3.43Å; V219-V225 VanDerWaalsContact CG1-CG1 3.43Å; V219-V225 HydrophobicContact CG2-CG1 3.86Å; V219-V255 HydrophobicContact CG2-CG1 3.39Å
220	Q	81	Confident	86.5	Confident	128 Å²	128	30.7 Å²	30.7	60%	0.598	17%	0.166	S	C	*	.			trans	-103.5	149.5	174.9	-62.6	-172.1	-13.2	0	0	111.7	G222 D223	Q220-G222 PolarHBondContact O-N 3.4Å; Q220-D223 PolarHBondContact N-OD2 3.44Å; Q220-D223 WeakPolarHBondContact O-CB 3.47Å; Q220-D223 PolarHBondContact O-N 2.81Å
221	P	79.4	Confident	86.5	Confident	49 Å²	49	30.8 Å²	30.8	32%	0.318	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	123.7	175.7	24.6	-33.5	0	0	0	110.5	V121 A383	V121-P221 CarbonylContact O-C 3.54Å; V121-P221 WeakPolarHBondContact O-CA 3.34Å; P221-A383 HydrophobicContact CB-CB 4.36Å
222	G	75.4	Confident	86.3	Confident	9 Å²	9	32.7 Å²	32.7	9%	0.093	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.6	-11	-170.5	0	0	0	0	0	115.6	V121 Q220	V121-G222 PolarHBondContact O-N 3.42Å; Q220-G222 PolarHBondContact O-N 3.4Å
223	D	79.8	Confident	86.3	Confident	19 Å²	19	33.7 Å²	33.7	10%	0.102	18%	0.182	C	C	.	.			trans	-70.9	133.2	169.4	-75.8	-30.8	0	0	0	111.1	I120 V121 V219 Q220 V225 R352	I120-D223 WeakPolarHBondContact CA-O 3.47Å; V121-D223 PolarHBondContact N-O 3.27Å; V219-D223 HydrophobicContact CG1-CB 3.78Å; Q220-D223 PolarHBondContact N-OD2 3.44Å; Q220-D223 WeakPolarHBondContact O-CB 3.47Å; Q220-D223 PolarHBondContact O-N 2.81Å; D223-V225 HydrophobicContact CB-CG1 4.36Å; D223-R352 IonicContact OD1-NH1 3.92Å
224	R	82.4	Confident	86.2	Confident	47 Å²	47	33.4 Å²	33.4	18%	0.177	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.1	161.3	-64.9	-179.1	-167.8	-141.6	-0.3	107.9	G119 I120 M194 E196 L258	G119-R224 WeakPolarHBondContact O-CA 3.5Å; I120-R224 HydrophobicContact CD1-CG 4.48Å; I120-R224 HydrophobicContact CG1-CG 3.93Å; M194-R224 HydrophobicContact CE-CB 4.29Å; M194-R224 HydrophobicContact CE-CG 4.5Å; E196-R224 IonicContact OE1-CZ 3.16Å; E196-R224 IonicContact OE1-NH1 3.13Å; E196-R224 PolarHBondContact OE1-NH1 3.02Å; E196-R224 IonicContact OE1-NH2 2.67Å; E196-R224 PolarHBondContact OE1-NH2 3.1Å; E196-R224 IonicContact OE2-CZ 3.74Å; E196-R224 IonicContact OE2-NH1 2.73Å; E196-R224 PolarHBondContact OE2-NH1 2.75Å; E196-R224 IonicContact OE2-NH2 2.63Å; R224-L258 HydrophobicContact CB-CB 4.22Å; R224-L258 HydrophobicContact CB-CD2 4.44Å; R224-L258 PolarHBondContact O-N 3.33Å
225	V	88.2	Confident	86	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.7	-178.6	-68.6	0	0	0	0	112.7	G119 V121 I191 V219 D223 I227 V255 Q256	G119-V225 PolarHBondContact N-O 3.05Å; G119-V225 PolarHBondContact O-N 3.41Å; V121-V225 HydrophobicContact CG2-CG1 4.37Å; V121-V225 HydrophobicContact CG2-CG2 3.79Å; I191-V225 HydrophobicContact CG2-CG2 4.36Å; V219-V225 HydrophobicContact CB-CG1 4.34Å; V219-V225 HydrophobicContact CG1-CG1 3.43Å; V219-V225 VanDerWaalsContact CG1-CG1 3.43Å; V219-V225 HydrophobicContact CG2-CG1 3.86Å; D223-V225 HydrophobicContact CB-CG1 4.36Å; V225-I227 HydrophobicContact CB-CG1 4.29Å; V225-I227 HydrophobicContact CG2-CD1 4.25Å; V225-I227 HydrophobicContact CG2-CG1 4.08Å; V225-V255 HydrophobicContact CG1-CG1 4.45Å; V225-Q256 WeakPolarHBondContact CA-O 3.39Å
226	Q	90.2	Very high	85.3	Confident	15 Å²	15	31.2 Å²	31.2	7%	0.07	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.5	165.8	-171.4	172.4	19.7	0	0	107.3	H100 C116 L117 E118 Q256 T517	H100-Q226 PolarHBondContact CE1-NE2 2.86Å; H100-Q226 VanDerWaalsContact CE1-NE2 3.34Å; C116-Q226 WeakPolarHBondContact SG-CG 3.32Å; C116-Q226 PolarHBondContact SG-NE2 3.39Å; C116-Q226 VanDerWaalsContact SG-NE2 3.37Å; L117-Q226 CarbonylContact O-C 3.6Å; L117-Q226 WeakPolarHBondContact O-CA 3.17Å; E118-Q226 HydrophobicContact CG-CB 4.32Å; E118-Q226 HydrophobicContact CG-CG 4.02Å; Q226-Q256 PolarHBondContact N-O 3.05Å; Q226-Q256 PolarHBondContact O-N 3.03Å; Q226-T517 HydrophobicContact CG-CG2 4.02Å
227	I	91.2	Very high	84.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.9	-177.4	-58.5	-158.5	0	0	0	109.8	C116 L117 I189 I191 V225 I250 A252 V255	C116-I227 WeakPolarHBondContact CA-O 3.48Å; L117-I227 PolarHBondContact N-O 2.89Å; L117-I227 PolarHBondContact O-N 3.34Å; I189-I227 HydrophobicContact CD1-CD1 3.6Å; I191-I227 HydrophobicContact CD1-CD1 3.53Å; I191-I227 HydrophobicContact CD1-CG1 4.24Å; V225-I227 HydrophobicContact CB-CG1 4.29Å; V225-I227 HydrophobicContact CG2-CD1 4.25Å; V225-I227 HydrophobicContact CG2-CG1 4.08Å; I227-I250 HydrophobicContact CG2-CG2 4.44Å; I227-A252 HydrophobicContact CG2-CB 3.75Å; I227-V255 HydrophobicContact CD1-CG1 4.04Å; I227-V255 HydrophobicContact CD1-CG2 3.9Å; I227-V255 HydrophobicContact CG1-CB 4.48Å; I227-V255 HydrophobicContact CG1-CG1 4.05Å; I227-V255 HydrophobicContact CG1-CG2 4.1Å; I227-V255 HydrophobicContact CG2-CG2 4.19Å
228	V	91.6	Very high	83.7	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.3	175.8	169.2	0	0	0	0	107.5	F92 F96 M114 C116 N253 N254 T517	F92-V228 HydrophobicContact CB-CG1 3.88Å; F92-V228 WeakPolarHBondContact O-CG1 3.43Å; F96-V228 HydrophobicContact CD2-CG2 4.36Å; F96-V228 HydrophobicContact CE1-CG1 4.08Å; F96-V228 HydrophobicContact CE2-CB 4.47Å; F96-V228 HydrophobicContact CE2-CG1 4.04Å; F96-V228 HydrophobicContact CE2-CG2 3.55Å; F96-V228 HydrophobicContact CZ-CB 4.27Å; F96-V228 HydrophobicContact CZ-CG1 3.39Å; F96-V228 HydrophobicContact CZ-CG2 3.82Å; M114-V228 HydrophobicContact CE-CB 4.48Å; M114-V228 HydrophobicContact CE-CG1 3.29Å; C116-V228 HydrophobicContact CB-CG2 4.35Å; V228-N253 WeakPolarHBondContact O-CB 3.47Å; V228-N253 PolarHBondContact O-N 2.89Å; V228-N254 HydrophobicContact CB-CB 4.24Å; V228-N254 PolarHBondContact N-O 3.13Å; V228-N254 PolarHBondContact O-N 3.44Å; V228-N254 VanDerWaalsContact O-N 3.1Å; V228-T517 HydrophobicContact CG2-CG2 4.12Å
229	G	91.3	Very high	83	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	173.2	-171.6	0	0	0	0	0	114.9	M114 V115 I251	M114-G229 WeakPolarHBondContact CE-O 3.5Å; V115-G229 PolarHBondContact N-O 3.27Å; V115-G229 PolarHBondContact O-N 3.24Å; G229-I251 CarbonylContact C-O 3.48Å; G229-I251 WeakPolarHBondContact CA-O 3.28Å
230	H	90.4	Very high	82.5	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.2	178.1	172.1	-111.8	0	0	0	110.7	T59 C60 G112 I250 I251	T59-H230 HydrophobicContact CG2-CB 4.03Å; C60-H230 PolarHBondContact SG-CE1 3.1Å; G112-H230 WeakPolarHBondContact CA-NE2 3.24Å; G112-H230 PolarHBondContact O-CD2 3.05Å; G112-H230 PolarHBondContact O-NE2 3.08Å; H230-I250 WeakPolarHBondContact O-CA 3.39Å; H230-I251 PolarHBondContact N-O 2.88Å; H230-I251 PolarHBondContact O-N 3.38Å
231	Y	91.9	Very high	82.3	Confident	12 Å²	12	51.2 Å²	51.2	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.4	-179	-172.1	-134.3	0	0	0	111.9	L106 L110 L111 G112 N113 T248 I250	L106-Y231 HydrophobicContact CD2-CD1 4.06Å; L106-Y231 HydrophobicContact CD2-CD2 4.45Å; L106-Y231 HydrophobicContact CD2-CE1 4.14Å; L106-Y231 HydrophobicContact CD2-CG 4.21Å; L110-Y231 HydrophobicContact CB-CD1 4.21Å; L111-Y231 HydrophobicContact CD2-CD1 3.82Å; L111-Y231 HydrophobicContact CD2-CE1 3.78Å; L111-Y231 HydrophobicContact CD2-CG 4.45Å; L111-Y231 HydrophobicContact CG-CD1 4.26Å; L111-Y231 HydrophobicContact CG-CE1 4.21Å; G112-Y231 PolarHBondContact N-O 3.1Å; N113-Y231 PolarHBondContact O-N 3.28Å; Y231-T248 HydrophobicContact CE2-CG2 4.35Å; Y231-T248 WeakPolarHBondContact OH-CB 3.25Å; Y231-I250 HydrophobicContact CD2-CD1 4.42Å; Y231-I250 HydrophobicContact CD2-CG1 3.71Å; Y231-I250 HydrophobicContact CE2-CG1 4.44Å
232	R	88.8	Confident	82.3	Confident	40 Å²	40	53.4 Å²	53.4	15%	0.151	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148	-173.8	-162.1	175.2	-172.2	167.6	-1.7	111.4	L152 S154 E156 V249 I251	L152-R232 PolarHBondContact O-NE 2.79Å; L152-R232 PolarHBondContact O-NH1 2.8Å; S154-R232 PolarHBondContact O-NH1 3.49Å; E156-R232 PolarHBondContact O-NH2 3.22Å; R232-V249 PolarHBondContact N-O 3.03Å; R232-V249 PolarHBondContact O-N 3.33Å; R232-I251 HydrophobicContact CB-CD1 4.41Å
233	C	87.9	Confident	82.4	Confident	52 Å²	52	56 Å²	56	35%	0.351	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137	168.1	57.2	0	0	0	0	111.2	L111 F246 R247	L111-C233 HydrophobicContact CD2-CB 4.13Å; C233-F246 HydrophobicContact CB-CB 4.22Å; C233-R247 CarbonylContact C-O 3.6Å; C233-R247 WeakPolarHBondContact CA-O 3.46Å
234	L	84.5	Confident	82.2	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.7	174	-64.1	179	0	0	0	110	L152 T153 G236 R247 V249	L152-L234 HydrophobicContact CB-CD2 3.73Å; T153-L234 HydrophobicContact CG2-CD1 4.38Å; L234-G236 PolarHBondContact O-N 3.19Å; L234-R247 PolarHBondContact N-O 3.2Å; L234-R247 PolarHBondContact O-N 2.87Å; L234-V249 HydrophobicContact CD1-CG1 3.92Å; L234-V249 HydrophobicContact CD1-CG2 3.84Å; L234-V249 HydrophobicContact CG-CG1 4.5Å; L234-V249 HydrophobicContact CG-CG2 3.92Å
235	P	83.3	Confident	82.3	Confident	42 Å²	42	63.7 Å²	63.7	27%	0.273	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	179.5	29.5	-34.2	0	0	0	112.4	L152 K237 F246	L152-P235 HydrophobicContact CD1-CG 3.88Å; P235-K237 PolarHBondContact O-N 2.74Å; P235-K237 VanDerWaalsContact O-N 3.16Å; P235-F246 HydrophobicContact CB-CD1 4.01Å; P235-F246 HydrophobicContact CB-CE1 3.94Å
236	G	71.7	Confident	82.1	Confident	28 Å²	28	69.4 Å²	69.4	29%	0.289	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	107.5	167.9	0	0	0	0	0	111.2	L234 T243	L234-G236 PolarHBondContact O-N 3.19Å; G236-T243 PolarHBondContact O-N 2.95Å; G236-T243 PolarHBondContact O-OG1 2.94Å
237	K	71.4	Confident	81.8	Confident	142 Å²	142	73.4 Å²	73.4	62%	0.617	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	170.8	-68.8	-179.1	-179.8	178.9	0	109.4	P235 T242	P235-K237 PolarHBondContact O-N 2.74Å; P235-K237 VanDerWaalsContact O-N 3.16Å; K237-T242 HydrophobicContact CG-CG2 4.12Å
238	K	68.8	Low	81.7	Confident	166 Å²	166	75.8 Å²	75.8	72%	0.722	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	120	170.6	-69.1	-171.8	177	-176.4	0	108.8	G240 F241	K238-G240 VanDerWaalsContact C-N 3.31Å; K238-G240 PolarHBondContact O-N 3.07Å; K238-F241 PolarHBondContact N-O 3.2Å; K238-F241 PolarHBondContact O-N 3.38Å; K238-F241 VanDerWaalsContact O-N 3.11Å
239	N	69.4	Low	81.7	Confident	162 Å²	162	75.9 Å²	75.9	87%	0.866	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	45	-178.7	-61.2	1.1	0	0	0	114.2	F241	N239-F241 WeakPolarHBondContact O-CD2 3.48Å; N239-F241 PolarHBondContact O-N 3.41Å; N239-F241 VanDerWaalsContact O-N 3.15Å
240	G	73.3	Confident	81.7	Confident	76 Å²	76	76 Å²	76	78%	0.784	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-23.1	179.6	0	0	0	0	0	115.1	K238	K238-G240 VanDerWaalsContact C-N 3.31Å; K238-G240 PolarHBondContact O-N 3.07Å
241	F	76.8	Confident	81.8	Confident	170 Å²	170	76 Å²	76	75%	0.746	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.8	173.8	-62.9	-83.5	0	0	0	110.7	K238 N239	K238-F241 PolarHBondContact N-O 3.2Å; K238-F241 PolarHBondContact O-N 3.38Å; K238-F241 VanDerWaalsContact O-N 3.11Å; N239-F241 WeakPolarHBondContact O-CD2 3.48Å; N239-F241 PolarHBondContact O-N 3.41Å; N239-F241 VanDerWaalsContact O-N 3.15Å
242	T	79.3	Confident	81.8	Confident	95 Å²	95	75.7 Å²	75.7	58%	0.583	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	122.7	170.5	48.2	0	0	0	0	109.7	K237	K237-T242 HydrophobicContact CG-CG2 4.12Å
243	T	77.5	Confident	81.9	Confident	65 Å²	65	74.3 Å²	74.3	40%	0.399	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.4	170.1	51.7	0	0	0	0	110.2	G236 N245	G236-T243 PolarHBondContact O-N 2.95Å; G236-T243 PolarHBondContact O-OG1 2.94Å; T243-N245 PolarHBondContact O-N 3.29Å; T243-N245 VanDerWaalsContact O-N 3.17Å; T243-N245 PolarHBondContact OG1-O 3.35Å
244	A	77.5	Confident	82	Confident	90 Å²	90	72.5 Å²	72.5	74%	0.744	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	-18.6	175.8	0	0	0	0	0	113.3	F246	A244-F246 VanDerWaalsContact O-CD2 3.27Å; A244-F246 WeakPolarHBondContact O-CD2 3.3Å; A244-F246 WeakPolarHBondContact O-CE2 3.37Å
245	N	82.9	Confident	82.1	Confident	136 Å²	136	71.5 Å²	71.5	73%	0.727	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	117.7	172.2	-61.6	7.7	0	0	0	109.3	T243	T243-N245 PolarHBondContact O-N 3.29Å; T243-N245 VanDerWaalsContact O-N 3.17Å; T243-N245 PolarHBondContact OG1-O 3.35Å
246	F	84	Confident	82.3	Confident	121 Å²	121	71.6 Å²	71.6	53%	0.531	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.1	171.7	-61.3	-97.3	0	0	0	109.6	C233 P235 A244	C233-F246 HydrophobicContact CB-CB 4.22Å; P235-F246 HydrophobicContact CB-CD1 4.01Å; P235-F246 HydrophobicContact CB-CE1 3.94Å; A244-F246 VanDerWaalsContact O-CD2 3.27Å; A244-F246 WeakPolarHBondContact O-CD2 3.3Å; A244-F246 WeakPolarHBondContact O-CE2 3.37Å
247	R	84.9	Confident	82.7	Confident	99 Å²	99	71 Å²	71	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.3	169.1	-172.6	177.3	-175.4	168.6	1.2	108.8	D208 C233 L234 V249 E375	D208-R247 IonicContact OD2-CZ 2.61Å; D208-R247 IonicContact OD2-NE 3.18Å; D208-R247 PolarHBondContact OD2-NE 3.24Å; D208-R247 IonicContact OD2-NH2 2.8Å; D208-R247 PolarHBondContact OD2-NH2 3.08Å; C233-R247 CarbonylContact C-O 3.6Å; C233-R247 WeakPolarHBondContact CA-O 3.46Å; L234-R247 PolarHBondContact N-O 3.2Å; L234-R247 PolarHBondContact O-N 2.87Å; R247-V249 HydrophobicContact CG-CG1 4.38Å; R247-E375 IonicContact CZ-OE2 3.67Å; R247-E375 IonicContact NH1-OE1 3.67Å; R247-E375 PolarHBondContact NH1-OE1 3.19Å; R247-E375 IonicContact NH1-OE2 3.85Å; R247-E375 PolarHBondContact NH1-OE2 3.29Å; R247-E375 IonicContact NH2-OE2 2.71Å
248	T	89	Confident	82.7	Confident	51 Å²	51	69.2 Å²	69.2	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.9	178.2	50.3	0	0	0	0	109.9	Y231	Y231-T248 HydrophobicContact CE2-CG2 4.35Å; Y231-T248 WeakPolarHBondContact OH-CB 3.25Å
249	V	91.4	Very high	82.3	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.4	-178.9	-57	0	0	0	0	110.4	D208 L210 R232 L234 R247	D208-V249 HydrophobicContact CB-CG1 4.31Å; D208-V249 WeakPolarHBondContact O-CA 3.33Å; L210-V249 HydrophobicContact CD1-CG2 4.22Å; L210-V249 HydrophobicContact CG-CB 4.49Å; R232-V249 PolarHBondContact N-O 3.03Å; R232-V249 PolarHBondContact O-N 3.33Å; L234-V249 HydrophobicContact CD1-CG1 3.92Å; L234-V249 HydrophobicContact CD1-CG2 3.84Å; L234-V249 HydrophobicContact CG-CG1 4.5Å; L234-V249 HydrophobicContact CG-CG2 3.92Å; R247-V249 HydrophobicContact CG-CG1 4.38Å
250	I	92	Very high	81.7	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125	168.9	-67.1	169.5	0	0	0	108.8	L106 V115 L117 I207 D208 A209 L210 I227 H230 Y231	L106-I250 HydrophobicContact CD1-CD1 4.05Å; V115-I250 HydrophobicContact CG2-CD1 4.31Å; L117-I250 HydrophobicContact CB-CD1 4.09Å; L117-I250 HydrophobicContact CD1-CD1 3.38Å; L117-I250 HydrophobicContact CG-CD1 4.38Å; I207-I250 HydrophobicContact CG2-CD1 4.08Å; I207-I250 HydrophobicContact CG2-CG1 4.34Å; D208-I250 PolarHBondContact O-N 2.93Å; A209-I250 CarbonylContact C-O 3.31Å; A209-I250 VanDerWaalsContact CA-O 3.23Å; A209-I250 WeakPolarHBondContact CA-O 3.5Å; A209-I250 HydrophobicContact CB-CB 4.2Å; L210-I250 PolarHBondContact N-O 3.19Å; I227-I250 HydrophobicContact CG2-CG2 4.44Å; H230-I250 WeakPolarHBondContact O-CA 3.39Å; Y231-I250 HydrophobicContact CD2-CD1 4.42Å; Y231-I250 HydrophobicContact CD2-CG1 3.71Å; Y231-I250 HydrophobicContact CE2-CG1 4.44Å
251	I	92.4	Very high	80.7	Confident	9 Å²	9	63.5 Å²	63.5	5%	0.046	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.1	169.1	-60.9	160.6	0	0	0	106.6	T153 G229 H230 R232	T153-I251 VanDerWaalsContact O-CD1 3.23Å; T153-I251 WeakPolarHBondContact O-CD1 3.4Å; G229-I251 CarbonylContact C-O 3.48Å; G229-I251 WeakPolarHBondContact CA-O 3.28Å; H230-I251 PolarHBondContact N-O 2.88Å; H230-I251 PolarHBondContact O-N 3.38Å; R232-I251 HydrophobicContact CB-CD1 4.41Å
252	A	92	Very high	79.3	Confident	5 Å²	5	61.1 Å²	61.1	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.1	-173.5	0	0	0	0	0	111.9	L210 L211 L215 I227 V255	L210-A252 WeakPolarHBondContact O-CB 3.23Å; L210-A252 PolarHBondContact O-N 3.2Å; L211-A252 HydrophobicContact CD2-CB 3.55Å; L215-A252 HydrophobicContact CD1-CB 4.17Å; L215-A252 WeakPolarHBondContact CD1-O 3.49Å; I227-A252 HydrophobicContact CG2-CB 3.75Å; A252-V255 HydrophobicContact CB-CG2 3.95Å
253	N	89.2	Confident	78.1	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.064	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-37.4	173.8	-63.1	-30.6	0	0	0	111	R36 I63 F92 M114 V228	R36-N253 WeakPolarHBondContact CD-O 3.36Å; R36-N253 PolarHBondContact NH1-O 2.76Å; I63-N253 VanDerWaalsContact CD1-ND2 3.28Å; I63-N253 WeakPolarHBondContact CD1-ND2 3.3Å; F92-N253 HydrophobicContact CD2-CB 4.38Å; M114-N253 PolarHBondContact SD-ND2 3.22Å; V228-N253 WeakPolarHBondContact O-CB 3.47Å; V228-N253 PolarHBondContact O-N 2.89Å
254	N	90	Very high	77.3	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147	178	173	31.1	0	0	0	109.8	M38 F92 V228	M38-N254 HydrophobicContact CE-CB 4.2Å; M38-N254 WeakPolarHBondContact CE-ND2 3.47Å; F92-N254 WeakPolarHBondContact O-CB 3.34Å; F92-N254 PolarHBondContact O-ND2 3.29Å; V228-N254 HydrophobicContact CB-CB 4.24Å; V228-N254 PolarHBondContact N-O 3.13Å; V228-N254 PolarHBondContact O-N 3.44Å; V228-N254 VanDerWaalsContact O-N 3.1Å
255	V	88.4	Confident	76.7	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	118.2	-178.7	178.8	0	0	0	0	109.5	L211 L215 V219 V225 I227 A252	L211-V255 HydrophobicContact CD2-CG2 3.82Å; L215-V255 HydrophobicContact CD1-CG2 4.14Å; L215-V255 HydrophobicContact CD2-CB 4.09Å; L215-V255 HydrophobicContact CD2-CG2 4.1Å; V219-V255 HydrophobicContact CG2-CG1 3.39Å; V225-V255 HydrophobicContact CG1-CG1 4.45Å; I227-V255 HydrophobicContact CD1-CG1 4.04Å; I227-V255 HydrophobicContact CD1-CG2 3.9Å; I227-V255 HydrophobicContact CG1-CB 4.48Å; I227-V255 HydrophobicContact CG1-CG1 4.05Å; I227-V255 HydrophobicContact CG1-CG2 4.1Å; I227-V255 HydrophobicContact CG2-CG2 4.19Å; A252-V255 HydrophobicContact CB-CG2 3.95Å
256	Q	86	Confident	76	Confident	43 Å²	43	53.2 Å²	53.2	20%	0.201	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.5	179.7	-65.1	-172.4	-18.8	0	0	110.5	E93 V225 Q226 L258	E93-Q256 PolarHBondContact OE1-NE2 3.39Å; V225-Q256 WeakPolarHBondContact CA-O 3.39Å; Q226-Q256 PolarHBondContact N-O 3.05Å; Q226-Q256 PolarHBondContact O-N 3.03Å; Q256-L258 PolarHBondContact O-N 3.31Å
257	S	79.9	Confident	75.7	Confident	17 Å²	17	49.5 Å²	49.5	12%	0.119	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	94.5	176.5	-43.1	0	0	0	0	110.2	S259 K260	S257-S259 PolarHBondContact O-N 3.28Å; S257-K260 PolarHBondContact O-N 2.99Å; S257-K260 WeakPolarHBondContact OG-CE 3.25Å; S257-K260 PolarHBondContact OG-NZ 3.27Å
258	L	72.6	Confident	75.4	Confident	103 Å²	103	53.1 Å²	53.1	54%	0.539	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.7	-180	-170.9	66.4	0	0	0	112.8	R224 Q256	R224-L258 HydrophobicContact CB-CB 4.22Å; R224-L258 HydrophobicContact CB-CD2 4.44Å; R224-L258 PolarHBondContact O-N 3.33Å; Q256-L258 PolarHBondContact O-N 3.31Å
259	S	60.1	Low	75	Confident	29 Å²	29	56.6 Å²	56.6	20%	0.203	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.1	178.3	-168.9	0	0	0	0	116.2	S257 E261 R352	S257-S259 PolarHBondContact O-N 3.28Å; S259-E261 VanDerWaalsContact C-N 3.25Å; S259-E261 PolarHBondContact O-N 3.01Å; S259-R352 WeakPolarHBondContact OG-CD 3.4Å; S259-R352 PolarHBondContact OG-NH1 3.47Å
260	K	56.6	Low	74.6	Confident	121 Å²	121	56.7 Å²	56.7	53%	0.526	30%	0.302	S	S	.	.	S	Bend	trans	-82.4	61.3	-171.7	-75.2	-178.5	-174.6	150.4	0	113.8	A218 S257 T262	A218-K260 PolarHBondContact O-NZ 2.86Å; S257-K260 PolarHBondContact O-N 2.99Å; S257-K260 WeakPolarHBondContact OG-CE 3.25Å; S257-K260 PolarHBondContact OG-NZ 3.27Å; K260-T262 PolarHBondContact O-N 2.78Å
261	E	51.9	Low	74.2	Confident	134 Å²	134	59.3 Å²	59.3	63%	0.626	32%	0.316	S	S	*	.			trans	50.9	18.9	169.6	-63.9	-169.6	176.6	0	0	117.1	S259 G263 R391	S259-E261 VanDerWaalsContact C-N 3.25Å; S259-E261 PolarHBondContact O-N 3.01Å; E261-G263 VanDerWaalsContact C-N 3.29Å; E261-G263 PolarHBondContact O-N 3.36Å; E261-R391 IonicContact OE1-CZ 3.45Å; E261-R391 IonicContact OE1-NH1 3.56Å; E261-R391 PolarHBondContact OE1-NH1 3.44Å
262	T	48.6	Very low	73.9	Confident	120 Å²	120	62.1 Å²	62.1	74%	0.736	34%	0.337	S	S	*	.			trans	-63.6	90	164.5	-44.1	0	0	0	0	109.1	K260	K260-T262 PolarHBondContact O-N 2.78Å
263	G	53	Low	73.4	Confident	21 Å²	21	64.2 Å²	64.2	22%	0.216	35%	0.346	C	S	.	.			trans	-61.7	157.3	177.1	0	0	0	0	0	111.6	E261 S265 H575	E261-G263 VanDerWaalsContact C-N 3.29Å; E261-G263 PolarHBondContact O-N 3.36Å; G263-S265 PolarHBondContact O-N 3.49Å; G263-H575 VanDerWaalsContact CA-CE1 3.41Å; G263-H575 WeakPolarHBondContact CA-CE1 3.47Å
264	P	60.8	Low	73.1	Confident	51 Å²	51	64.2 Å²	64.2	33%	0.331	35%	0.346	S	S	.	.			trans	-56.6	134.8	174.2	26.5	-34.6	0	0	0	109.5	F266 K572	P264-F266 HydrophobicContact CG-CE1 4.27Å; P264-F266 HydrophobicContact CG-CZ 4.3Å; P264-F266 WeakPolarHBondContact O-CD2 3.47Å; P264-F266 WeakPolarHBondContact O-CE2 3.46Å; P264-F266 WeakPolarHBondContact O-CG 3.36Å; P264-F266 PolarHBondContact O-N 3.41Å; P264-K572 HydrophobicContact CB-CG 4.01Å; P264-K572 HydrophobicContact CG-CB 4.29Å; P264-K572 HydrophobicContact CG-CG 3.8Å
265	S	65	Low	72.9	Confident	75 Å²	75	71.9 Å²	71.9	52%	0.524	37%	0.374	S	S	.	.			trans	-54.2	113.6	-177.7	51.7	0	0	0	0	110.8	G263	G263-S265 PolarHBondContact O-N 3.49Å
266	F	68.3	Low	72.8	Confident	73 Å²	73	75.9 Å²	75.9	32%	0.32	39%	0.394	S	S	.	.			trans	-84.8	114.6	-176.6	-59.8	-73.7	0	0	0	110.2	P264 I271 M274 K572 H575 V576	P264-F266 HydrophobicContact CG-CE1 4.27Å; P264-F266 HydrophobicContact CG-CZ 4.3Å; P264-F266 WeakPolarHBondContact O-CD2 3.47Å; P264-F266 WeakPolarHBondContact O-CE2 3.46Å; P264-F266 WeakPolarHBondContact O-CG 3.36Å; P264-F266 PolarHBondContact O-N 3.41Å; F266-I271 HydrophobicContact CB-CD1 3.93Å; F266-I271 HydrophobicContact CB-CG1 4.05Å; F266-M274 HydrophobicContact CD1-CE 4.21Å; F266-M274 HydrophobicContact CE1-CE 4.21Å; F266-K572 HydrophobicContact CE1-CB 4.24Å; F266-H575 AromaticContact CZ-CD2 3.89Å; F266-V576 HydrophobicContact CD1-CG2 4.2Å; F266-V576 HydrophobicContact CE1-CG2 3.4Å; F266-V576 VanDerWaalsContact CE1-CG2 3.4Å; F266-V576 HydrophobicContact CE2-CG2 4.47Å; F266-V576 HydrophobicContact CZ-CG2 3.57Å
267	S	76.8	Confident	72.6	Confident	44 Å²	44	73.9 Å²	73.9	31%	0.308	39%	0.385	S	S	.	.			trans	-66.8	147.3	165.4	178.5	0	0	0	0	109.7	K269 D270 I271	S267-K269 PolarHBondContact O-N 3.03Å; S267-K269 WeakPolarHBondContact OG-CB 3.47Å; S267-K269 PolarHBondContact OG-N 3.08Å; S267-D270 VanDerWaalsContact CB-OD2 3.26Å; S267-D270 WeakPolarHBondContact CB-OD2 3.34Å; S267-D270 PolarHBondContact N-OD2 3.15Å; S267-D270 WeakPolarHBondContact O-CB 3.39Å; S267-D270 PolarHBondContact O-N 2.93Å; S267-I271 PolarHBondContact O-N 3.41Å; S267-I271 VanDerWaalsContact O-N 3.11Å
268	E	80.6	Confident	72.7	Confident	174 Å²	174	75 Å²	75	81%	0.813	39%	0.393	S	S	*	.	H	α-helix	trans	-58.3	-30.5	169.8	-62	-161.1	143.3	0	0	111.3	I271 S272	E268-I271 PolarHBondContact O-N 2.71Å; E268-S272 WeakPolarHBondContact O-CB 3.48Å; E268-S272 PolarHBondContact O-N 3.38Å
269	K	80.4	Confident	73.2	Confident	124 Å²	124	78.3 Å²	78.3	54%	0.539	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-49.5	171.5	-62.1	174.8	178.8	171.2	0	111.2	S267 I271 S272 M273 D544	S267-K269 PolarHBondContact O-N 3.03Å; S267-K269 WeakPolarHBondContact OG-CB 3.47Å; S267-K269 PolarHBondContact OG-N 3.08Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.76Å; K269-S272 PolarHBondContact O-N 2.82Å; K269-S272 PolarHBondContact O-OG 2.87Å; K269-M273 PolarHBondContact O-N 3.09Å; K269-D544 VanDerWaalsContact CD-OD1 3.27Å; K269-D544 WeakPolarHBondContact CD-OD1 3.41Å; K269-D544 VanDerWaalsContact CD-OD2 3.26Å; K269-D544 WeakPolarHBondContact CD-OD2 3.35Å; K269-D544 WeakPolarHBondContact CE-OD2 3.34Å; K269-D544 IonicContact NZ-OD1 3.45Å; K269-D544 IonicContact NZ-OD2 2.65Å; K269-D544 PolarHBondContact NZ-OD2 3.4Å
270	D	82.3	Confident	74.3	Confident	6 Å²	6	81.3 Å²	81.3	3%	0.032	41%	0.41	C	S	.	.	H	α-helix	trans	-53.1	-52.9	176.1	-69.6	-63.2	0	0	0	109.9	S267 S272 M273 M274 K572	S267-D270 VanDerWaalsContact CB-OD2 3.26Å; S267-D270 WeakPolarHBondContact CB-OD2 3.34Å; S267-D270 PolarHBondContact N-OD2 3.15Å; S267-D270 WeakPolarHBondContact O-CB 3.39Å; S267-D270 PolarHBondContact O-N 2.93Å; D270-S272 VanDerWaalsContact C-N 3.3Å; D270-S272 PolarHBondContact O-N 2.9Å; D270-M273 CarbonylContact O-C 3.59Å; D270-M273 PolarHBondContact O-N 3.15Å; D270-M274 HydrophobicContact CB-CE 4.39Å; D270-M274 VanDerWaalsContact O-CG 3.29Å; D270-M274 WeakPolarHBondContact O-CG 3.32Å; D270-M274 PolarHBondContact O-N 2.89Å; D270-K572 VanDerWaalsContact OD1-CD 3.3Å; D270-K572 WeakPolarHBondContact OD1-CD 3.34Å; D270-K572 IonicContact OD1-NZ 2.7Å; D270-K572 PolarHBondContact OD1-NZ 2.96Å; D270-K572 IonicContact OD2-NZ 3.49Å; D270-K572 PolarHBondContact OD2-NZ 2.85Å
271	I	83.8	Confident	75.2	Confident	57 Å²	57	82.1 Å²	82.1	29%	0.292	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-39.1	-176.7	-62.5	172.2	0	0	0	110.8	F266 S267 E268 K269 M273 R275	F266-I271 HydrophobicContact CB-CD1 3.93Å; F266-I271 HydrophobicContact CB-CG1 4.05Å; S267-I271 PolarHBondContact O-N 3.41Å; S267-I271 VanDerWaalsContact O-N 3.11Å; E268-I271 PolarHBondContact O-N 2.71Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.76Å; I271-M273 VanDerWaalsContact C-N 3.34Å; I271-R275 WeakPolarHBondContact O-CB 3.42Å; I271-R275 WeakPolarHBondContact O-CD 3.4Å; I271-R275 WeakPolarHBondContact O-CG 3.45Å; I271-R275 PolarHBondContact O-N 3.44Å; I271-R275 VanDerWaalsContact O-N 3.12Å
272	S	85.3	Confident	76.7	Confident	68 Å²	68	80.8 Å²	80.8	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-62.9	-41	174.8	84.3	0	0	0	0	111.8	E268 K269 D270 R275 L276	E268-S272 WeakPolarHBondContact O-CB 3.48Å; E268-S272 PolarHBondContact O-N 3.38Å; K269-S272 PolarHBondContact O-N 2.82Å; K269-S272 PolarHBondContact O-OG 2.87Å; D270-S272 VanDerWaalsContact C-N 3.3Å; D270-S272 PolarHBondContact O-N 2.9Å; S272-R275 WeakPolarHBondContact O-CB 3.4Å; S272-R275 PolarHBondContact O-N 3.19Å; S272-L276 PolarHBondContact O-N 3.39Å
273	M	81.6	Confident	78.5	Confident	49 Å²	49	75.1 Å²	75.1	24%	0.241	38%	0.382	C	S	.	.	H	α-helix	trans	-77	-36.2	-177.4	-156.4	62.9	159.3	0	0	112.3	K269 D270 I271 R275 L276 I277 V546 Y547 F569	K269-M273 PolarHBondContact O-N 3.09Å; D270-M273 CarbonylContact O-C 3.59Å; D270-M273 PolarHBondContact O-N 3.15Å; I271-M273 VanDerWaalsContact C-N 3.34Å; M273-R275 VanDerWaalsContact C-N 3.31Å; M273-R275 PolarHBondContact O-N 2.97Å; M273-L276 HydrophobicContact CE-CD2 4.49Å; M273-L276 PolarHBondContact O-N 3.18Å; M273-L276 VanDerWaalsContact O-N 3.15Å; M273-L276 HydrophobicContact SD-CB 4.41Å; M273-L276 HydrophobicContact SD-CD2 3.75Å; M273-I277 HydrophobicContact CG-CD1 4.33Å; M273-I277 WeakPolarHBondContact O-CB 3.32Å; M273-I277 WeakPolarHBondContact O-CG1 3.38Å; M273-I277 PolarHBondContact O-N 3.37Å; M273-V546 HydrophobicContact CB-CG2 4.43Å; M273-V546 HydrophobicContact CG-CB 4.39Å; M273-V546 HydrophobicContact CG-CG1 3.92Å; M273-V546 HydrophobicContact CG-CG2 4.06Å; M273-Y547 HydrophobicContact CE-CE2 3.75Å; M273-F569 HydrophobicContact CB-CE2 4.45Å; M273-F569 HydrophobicContact CB-CZ 4.49Å
274	M	83.9	Confident	80	Confident	11 Å²	11	75.3 Å²	75.3	5%	0.054	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-41.7	169	-67.3	-172	-171.3	0	0	111.6	F266 D270 L276 I277 S278 F569 K572 Y573 V576	F266-M274 HydrophobicContact CD1-CE 4.21Å; F266-M274 HydrophobicContact CE1-CE 4.21Å; D270-M274 HydrophobicContact CB-CE 4.39Å; D270-M274 VanDerWaalsContact O-CG 3.29Å; D270-M274 WeakPolarHBondContact O-CG 3.32Å; D270-M274 PolarHBondContact O-N 2.89Å; M274-L276 VanDerWaalsContact C-N 3.34Å; M274-I277 PolarHBondContact O-N 3.32Å; M274-S278 VanDerWaalsContact O-CB 3.29Å; M274-S278 WeakPolarHBondContact O-CB 3.44Å; M274-S278 PolarHBondContact O-N 3.2Å; M274-F569 HydrophobicContact CE-CE2 4.43Å; M274-F569 HydrophobicContact CG-CE2 4.06Å; M274-F569 HydrophobicContact CG-CZ 3.66Å; M274-K572 HydrophobicContact CE-CB 3.51Å; M274-Y573 HydrophobicContact CB-CD2 4.29Å; M274-Y573 HydrophobicContact CB-CE2 4.46Å; M274-Y573 HydrophobicContact CG-CD2 3.95Å; M274-Y573 HydrophobicContact SD-CD2 4.37Å; M274-V576 HydrophobicContact CE-CG2 4.3Å; M274-V576 HydrophobicContact SD-CB 4.48Å; M274-V576 HydrophobicContact SD-CG2 3.92Å
275	R	85.4	Confident	81.2	Confident	174 Å²	174	76.3 Å²	76.3	66%	0.657	39%	0.386	S	S	*	.	H	α-helix	trans	-67.5	-31.6	174.9	-71.1	168.8	-175.7	175.4	5.7	112.4	I271 S272 M273 K279	I271-R275 WeakPolarHBondContact O-CB 3.42Å; I271-R275 WeakPolarHBondContact O-CD 3.4Å; I271-R275 WeakPolarHBondContact O-CG 3.45Å; I271-R275 PolarHBondContact O-N 3.44Å; I271-R275 VanDerWaalsContact O-N 3.12Å; S272-R275 WeakPolarHBondContact O-CB 3.4Å; S272-R275 PolarHBondContact O-N 3.19Å; M273-R275 VanDerWaalsContact C-N 3.31Å; M273-R275 PolarHBondContact O-N 2.97Å; R275-K279 WeakPolarHBondContact O-CG 3.2Å
276	L	85.6	Confident	82.1	Confident	100 Å²	100	73.5 Å²	73.5	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-71.9	-46.8	173.7	-175.4	64.4	0	0	0	111.3	S272 M273 M274 K279	S272-L276 PolarHBondContact O-N 3.39Å; M273-L276 HydrophobicContact CE-CD2 4.49Å; M273-L276 PolarHBondContact O-N 3.18Å; M273-L276 VanDerWaalsContact O-N 3.15Å; M273-L276 HydrophobicContact SD-CB 4.41Å; M273-L276 HydrophobicContact SD-CD2 3.75Å; M274-L276 VanDerWaalsContact C-N 3.34Å; L276-K279 WeakPolarHBondContact O-CB 3.44Å; L276-K279 PolarHBondContact O-N 3.38Å; L276-K279 VanDerWaalsContact O-N 3.15Å
277	I	82.7	Confident	83	Confident	1 Å²	1	70 Å²	70	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-47.4	177.5	-71.4	165.5	0	0	0	110.3	M273 M274 K279 R280 V283 V546 L565 F569 Y573	M273-I277 HydrophobicContact CG-CD1 4.33Å; M273-I277 WeakPolarHBondContact O-CB 3.32Å; M273-I277 WeakPolarHBondContact O-CG1 3.38Å; M273-I277 PolarHBondContact O-N 3.37Å; M274-I277 PolarHBondContact O-N 3.32Å; I277-K279 PolarHBondContact O-N 3.16Å; I277-R280 WeakPolarHBondContact O-CB 3.47Å; I277-R280 PolarHBondContact O-N 3.41Å; I277-V283 HydrophobicContact CG2-CG2 4.1Å; I277-V283 WeakPolarHBondContact O-CG2 3.34Å; I277-V546 HydrophobicContact CD1-CG1 4.19Å; I277-L565 HydrophobicContact CD1-CD2 3.94Å; I277-F569 HydrophobicContact CD1-CE1 3.53Å; I277-F569 HydrophobicContact CD1-CZ 3.75Å; I277-Y573 HydrophobicContact CG2-CE2 4.34Å
278	S	81.5	Confident	83.5	Confident	40 Å²	40	68.3 Å²	68.3	28%	0.28	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.9	176.4	170.1	0	0	0	0	114.7	M274 R644	M274-S278 VanDerWaalsContact O-CB 3.29Å; M274-S278 WeakPolarHBondContact O-CB 3.44Å; M274-S278 PolarHBondContact O-N 3.2Å; S278-R644 PolarHBondContact OG-O 3.36Å
279	K	82.9	Confident	83.7	Confident	173 Å²	173	63.1 Å²	63.1	75%	0.752	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.9	174.6	-68.1	174.4	-179	-179.2	0	114.4	R275 L276 I277	R275-K279 WeakPolarHBondContact O-CG 3.2Å; L276-K279 WeakPolarHBondContact O-CB 3.44Å; L276-K279 PolarHBondContact O-N 3.38Å; L276-K279 VanDerWaalsContact O-N 3.15Å; I277-K279 PolarHBondContact O-N 3.16Å
280	R	83	Confident	83.8	Confident	92 Å²	92	57.4 Å²	57.4	35%	0.347	29%	0.286	S	S	.	.	S	Bend	trans	-68.2	143.4	172.2	-63.3	174.4	78.6	160.6	0.3	108.1	I277 D282 V283 Y547 D563	I277-R280 WeakPolarHBondContact O-CB 3.47Å; I277-R280 PolarHBondContact O-N 3.41Å; R280-D282 VanDerWaalsContact C-N 3.33Å; R280-V283 HydrophobicContact CB-CG2 4.06Å; R280-V283 VanDerWaalsContact O-CG2 3.27Å; R280-V283 WeakPolarHBondContact O-CG2 3.45Å; R280-Y547 PolarHBondContact NH1-OH 2.72Å; R280-Y547 VanDerWaalsContact NH1-OH 3.14Å; R280-D563 IonicContact CZ-OD2 2.72Å; R280-D563 VanDerWaalsContact CZ-OD2 3.29Å; R280-D563 IonicContact NH1-OD2 3.82Å; R280-D563 PolarHBondContact NH1-OD2 2.94Å; R280-D563 IonicContact NH2-OD2 3.34Å; R280-D563 PolarHBondContact NH2-OD2 2.98Å
281	N	76.4	Confident	83.8	Confident	138 Å²	138	57.1 Å²	57.1	74%	0.738	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-31.2	173.2	-71.2	-46.1	0	0	0	111.4	V283	N281-V283 PolarHBondContact O-N 3.04Å; N281-V283 VanDerWaalsContact O-N 3.16Å
282	D	83.5	Confident	83.5	Confident	105 Å²	105	54.4 Å²	54.4	56%	0.561	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	27.7	-170.9	-46	-36.3	0	0	0	112.9	R280 S285 L286	R280-D282 VanDerWaalsContact C-N 3.33Å; D282-S285 PolarHBondContact O-OG 2.92Å; D282-S285 VanDerWaalsContact O-OG 3.1Å; D282-L286 VanDerWaalsContact O-CB 3.24Å; D282-L286 WeakPolarHBondContact O-CB 3.31Å; D282-L286 PolarHBondContact O-N 3.08Å
283	V	85	Confident	83.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-43.2	-175.6	169.8	0	0	0	0	111.9	I277 R280 N281 L286 L287 A643	I277-V283 HydrophobicContact CG2-CG2 4.1Å; I277-V283 WeakPolarHBondContact O-CG2 3.34Å; R280-V283 HydrophobicContact CB-CG2 4.06Å; R280-V283 VanDerWaalsContact O-CG2 3.27Å; R280-V283 WeakPolarHBondContact O-CG2 3.45Å; N281-V283 PolarHBondContact O-N 3.04Å; N281-V283 VanDerWaalsContact O-N 3.16Å; V283-L286 PolarHBondContact O-N 2.97Å; V283-L287 HydrophobicContact CG1-CD1 3.58Å; V283-L287 HydrophobicContact CG1-CG 4.16Å; V283-L287 WeakPolarHBondContact O-CB 3.21Å; V283-L287 VanDerWaalsContact O-CG 3.25Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 3.34Å; V283-A643 VanDerWaalsContact CG1-O 3.24Å; V283-A643 WeakPolarHBondContact CG1-O 3.49Å
284	I	84.9	Confident	83.1	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-46.9	-178.1	-61.1	92.8	0	0	0	110.4	L286 L287 T288 E303 L306 A643 R644	I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.43Å; I284-L287 PolarHBondContact O-N 3.34Å; I284-T288 WeakPolarHBondContact O-CB 2.89Å; I284-T288 PolarHBondContact O-N 2.91Å; I284-T288 PolarHBondContact O-OG1 3.42Å; I284-E303 HydrophobicContact CG2-CG 4.25Å; I284-L306 HydrophobicContact CG2-CD2 4.4Å; I284-A643 HydrophobicContact CG1-CB 4.46Å; I284-R644 HydrophobicContact CD1-CG 3.67Å
285	S	85.6	Confident	83.1	Confident	72 Å²	72	54 Å²	54	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-36	178.3	50.3	0	0	0	0	112.6	D282 R289	D282-S285 PolarHBondContact O-OG 2.92Å; D282-S285 VanDerWaalsContact O-OG 3.1Å; S285-R289 WeakPolarHBondContact O-CB 3.4Å; S285-R289 PolarHBondContact O-N 2.96Å
286	L	85.7	Confident	82.7	Confident	15 Å²	15	48 Å²	48	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-43.7	174.3	-175.4	157.6	0	0	0	112.3	D282 V283 I284 S290 D563 L565	D282-L286 VanDerWaalsContact O-CB 3.24Å; D282-L286 WeakPolarHBondContact O-CB 3.31Å; D282-L286 PolarHBondContact O-N 3.08Å; V283-L286 PolarHBondContact O-N 2.97Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.43Å; L286-S290 WeakPolarHBondContact O-CB 3.33Å; L286-S290 PolarHBondContact O-N 2.96Å; L286-S290 PolarHBondContact O-OG 3.02Å; L286-D563 HydrophobicContact CD1-CB 4.39Å; L286-L565 HydrophobicContact CD2-CD1 3.45Å; L286-L565 VanDerWaalsContact CD2-CD1 3.45Å; L286-L565 HydrophobicContact CD2-CD2 4.21Å; L286-L565 HydrophobicContact CD2-CG 3.58Å
287	L	86.7	Confident	82.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-48.4	174.2	-70.7	169.3	0	0	0	111.4	V283 I284 R289 S290 I291 L306 L565 L570 Y573	V283-L287 HydrophobicContact CG1-CD1 3.58Å; V283-L287 HydrophobicContact CG1-CG 4.16Å; V283-L287 WeakPolarHBondContact O-CB 3.21Å; V283-L287 VanDerWaalsContact O-CG 3.25Å; V283-L287 WeakPolarHBondContact O-CG 3.5Å; V283-L287 PolarHBondContact O-N 3.34Å; I284-L287 PolarHBondContact O-N 3.34Å; L287-R289 VanDerWaalsContact C-N 3.29Å; L287-R289 PolarHBondContact O-N 3Å; L287-S290 CarbonylContact O-C 3.36Å; L287-S290 WeakPolarHBondContact O-CA 3.34Å; L287-S290 WeakPolarHBondContact O-CB 3.38Å; L287-S290 PolarHBondContact O-N 3.36Å; L287-I291 PolarHBondContact O-N 3.11Å; L287-L306 HydrophobicContact CB-CD1 4.12Å; L287-L306 HydrophobicContact CB-CD2 3.62Å; L287-L306 HydrophobicContact CD1-CD1 4.28Å; L287-L306 HydrophobicContact CD1-CD2 4.02Å; L287-L306 HydrophobicContact CG-CD2 4.48Å; L287-L565 HydrophobicContact CD2-CD1 3.94Å; L287-L570 HydrophobicContact CD2-CD1 3.6Å; L287-Y573 HydrophobicContact CD1-CD1 4.46Å; L287-Y573 HydrophobicContact CD1-CE1 3.86Å; L287-Y573 HydrophobicContact CD2-CD1 4.13Å; L287-Y573 HydrophobicContact CD2-CE1 4.25Å
288	T	87	Confident	82.4	Confident	9 Å²	9	49 Å²	49	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-39.1	176.8	-68.3	0	0	0	0	111.9	I284 I291 E299 K302 E303	I284-T288 WeakPolarHBondContact O-CB 2.89Å; I284-T288 PolarHBondContact O-N 2.91Å; I284-T288 PolarHBondContact O-OG1 3.42Å; T288-I291 PolarHBondContact O-N 3.21Å; T288-E299 HydrophobicContact CG2-CB 4.3Å; T288-E299 WeakPolarHBondContact CG2-O 3.49Å; T288-K302 HydrophobicContact CG2-CB 3.66Å; T288-K302 WeakPolarHBondContact O-CD 3.09Å; T288-E303 HydrophobicContact CG2-CB 4.24Å
289	R	83.8	Confident	82.6	Confident	64 Å²	64	53.3 Å²	53.3	24%	0.242	28%	0.284	C	S	.	.	H	α-helix	trans	-77.5	-21.3	175.8	-174.8	169.7	158.1	-74.1	-10.3	113.8	S285 L287 I291 Q562 D563 Q564	S285-R289 WeakPolarHBondContact O-CB 3.4Å; S285-R289 PolarHBondContact O-N 2.96Å; L287-R289 VanDerWaalsContact C-N 3.29Å; L287-R289 PolarHBondContact O-N 3Å; R289-I291 VanDerWaalsContact C-N 3.33Å; R289-Q562 VanDerWaalsContact CZ-O 3.25Å; R289-Q562 PolarHBondContact NH1-O 3.42Å; R289-Q562 VanDerWaalsContact NH2-CB 3.34Å; R289-Q562 PolarHBondContact NH2-O 3.18Å; R289-D563 PolarHBondContact NH1-O 3.19Å; R289-Q564 VanDerWaalsContact NH1-CG 3.31Å
290	S	82.4	Confident	82.9	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-80.1	-16.1	170	-53.2	0	0	0	0	112.3	L286 L287 L565	L286-S290 WeakPolarHBondContact O-CB 3.33Å; L286-S290 PolarHBondContact O-N 2.96Å; L286-S290 PolarHBondContact O-OG 3.02Å; L287-S290 CarbonylContact O-C 3.36Å; L287-S290 WeakPolarHBondContact O-CA 3.34Å; L287-S290 WeakPolarHBondContact O-CB 3.38Å; L287-S290 PolarHBondContact O-N 3.36Å; S290-L565 PolarHBondContact OG-N 3.34Å; S290-L565 VanDerWaalsContact OG-N 3.1Å
291	I	82.5	Confident	83.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-82.7	131.3	173.7	-76.5	166.1	0	0	0	110.8	L287 T288 R289 K302 I305 L306 L309 F345 L570	L287-I291 PolarHBondContact O-N 3.11Å; T288-I291 PolarHBondContact O-N 3.21Å; R289-I291 VanDerWaalsContact C-N 3.33Å; I291-K302 HydrophobicContact CB-CB 4.5Å; I291-K302 HydrophobicContact CG2-CB 4.02Å; I291-K302 HydrophobicContact CG2-CG 4.18Å; I291-K302 WeakPolarHBondContact O-CD 3.39Å; I291-K302 WeakPolarHBondContact O-CE 3.44Å; I291-K302 PolarHBondContact O-NZ 3.05Å; I291-I305 HydrophobicContact CG2-CG2 4.15Å; I291-L306 HydrophobicContact CD1-CB 3.61Å; I291-L306 HydrophobicContact CD1-CD1 3.81Å; I291-L306 HydrophobicContact CD1-CG 4.24Å; I291-L309 HydrophobicContact CD1-CD1 4.31Å; I291-F345 HydrophobicContact CB-CE1 4.14Å; I291-F345 HydrophobicContact CG1-CE1 4.2Å; I291-F345 HydrophobicContact CG2-CD1 4.27Å; I291-F345 HydrophobicContact CG2-CE1 3.88Å; I291-L570 HydrophobicContact CG1-CD2 4.15Å
292	A	78.4	Confident	83.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.			trans	43.4	64	-176	0	0	0	0	0	112.8	S294 I295 K302 F342 F345	A292-S294 PolarHBondContact O-N 2.91Å; A292-S294 VanDerWaalsContact O-N 3.09Å; A292-I295 HydrophobicContact CB-CB 4.28Å; A292-I295 HydrophobicContact CB-CD1 3.96Å; A292-I295 HydrophobicContact CB-CG1 4.19Å; A292-I295 PolarHBondContact O-N 3.19Å; A292-K302 PolarHBondContact O-NZ 2.81Å; A292-F342 HydrophobicContact CB-CD1 4.27Å; A292-F342 HydrophobicContact CB-CE1 4.19Å; A292-F345 HydrophobicContact CB-CB 4.49Å; A292-F345 HydrophobicContact CB-CD1 4.09Å; A292-F345 HydrophobicContact CB-CD2 4.33Å; A292-F345 HydrophobicContact CB-CE1 4.45Å; A292-F345 HydrophobicContact CB-CG 4.03Å
293	P	77.8	Confident	84.3	Confident	40 Å²	40	35.3 Å²	35.3	26%	0.26	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.1	-179.9	28	-35.4	0	0	0	112.4	I295 H488	P293-I295 VanDerWaalsContact C-N 3.34Å; P293-H488 PolarHBondContact O-CE1 2.69Å; P293-H488 PolarHBondContact O-NE2 3.04Å
294	S	81.4	Confident	84.6	Confident	62 Å²	62	35.2 Å²	35.2	43%	0.434	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.4	172.5	51.8	0	0	0	0	114.9	A292	A292-S294 PolarHBondContact O-N 2.91Å; A292-S294 VanDerWaalsContact O-N 3.09Å
295	I	83.6	Confident	84.9	Confident	16 Å²	16	34 Å²	34	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	-105.7	124.4	-176.8	-56.4	175.3	0	0	0	109.4	A292 P293 K302 A338 Q341 F342	A292-I295 HydrophobicContact CB-CB 4.28Å; A292-I295 HydrophobicContact CB-CD1 3.96Å; A292-I295 HydrophobicContact CB-CG1 4.19Å; A292-I295 PolarHBondContact O-N 3.19Å; P293-I295 VanDerWaalsContact C-N 3.34Å; I295-K302 WeakPolarHBondContact O-CE 3.27Å; I295-K302 PolarHBondContact O-NZ 3.44Å; I295-A338 HydrophobicContact CD1-CB 4.24Å; I295-A338 HydrophobicContact CG2-CB 4.32Å; I295-Q341 HydrophobicContact CD1-CB 3.91Å; I295-Q341 HydrophobicContact CG1-CB 4.45Å; I295-F342 HydrophobicContact CB-CZ 4.4Å; I295-F342 HydrophobicContact CD1-CD1 3.68Å; I295-F342 HydrophobicContact CD1-CD2 3.8Å; I295-F342 HydrophobicContact CD1-CE1 3.68Å; I295-F342 HydrophobicContact CD1-CE2 3.8Å; I295-F342 HydrophobicContact CD1-CG 3.75Å; I295-F342 HydrophobicContact CD1-CZ 3.75Å; I295-F342 HydrophobicContact CG2-CE1 4.45Å; I295-F342 HydrophobicContact CG2-CE2 4.17Å; I295-F342 HydrophobicContact CG2-CZ 3.79Å
296	C	76.8	Confident	85.2	Confident	48 Å²	48	30.6 Å²	30.6	32%	0.324	17%	0.168	S	C	.	.			trans	-78.8	145.9	174.4	-159.8	0	0	0	0	111	I485 H488	C296-I485 HydrophobicContact CB-CG1 4.07Å; C296-H488 HydrophobicContact CB-CB 4.39Å
297	G	78.9	Confident	85.6	Confident	42 Å²	42	30.1 Å²	30.1	43%	0.433	17%	0.166	S	C	.	.	S	Bend	trans	67.2	-153.9	177.5	0	0	0	0	0	115.4	E299 K302	G297-E299 PolarHBondContact O-N 3.43Å; G297-K302 WeakPolarHBondContact O-CE 3.49Å
298	H	82.1	Confident	85.8	Confident	82 Å²	82	30.1 Å²	30.1	38%	0.38	17%	0.166	S	C	.	.			trans	52.6	43.7	178.8	-60.3	-60.4	0	0	0	115.9	H300 I301 K302 F342 V473	H298-H300 PolarHBondContact O-N 2.94Å; H298-I301 HydrophobicContact CB-CB 4.19Å; H298-I301 HydrophobicContact CB-CD1 4.06Å; H298-I301 HydrophobicContact CB-CG1 4.2Å; H298-I301 PolarHBondContact O-N 3.24Å; H298-K302 PolarHBondContact O-N 3.34Å; H298-K302 VanDerWaalsContact O-N 3.09Å; H298-F342 HydrophobicContact CB-CZ 4.22Å; H298-V473 WeakPolarHBondContact CE1-CG1 3.43Å
299	E	86.2	Confident	86	Confident	129 Å²	129	30 Å²	30	60%	0.603	16%	0.164	S	C	*	.	H	α-helix	trans	-55.3	-44.1	-176.5	-59.1	-168.5	158.3	0	0	113.2	T288 G297 I301 K302 E303	T288-E299 HydrophobicContact CG2-CB 4.3Å; T288-E299 WeakPolarHBondContact CG2-O 3.49Å; G297-E299 PolarHBondContact O-N 3.43Å; E299-I301 VanDerWaalsContact C-N 3.28Å; E299-I301 PolarHBondContact O-N 2.68Å; E299-K302 WeakPolarHBondContact O-CB 3.37Å; E299-K302 PolarHBondContact O-N 3.16Å; E299-K302 VanDerWaalsContact O-N 3.16Å; E299-E303 WeakPolarHBondContact O-CB 3.04Å; E299-E303 PolarHBondContact O-N 3.21Å
300	H	88.3	Confident	86.2	Confident	80 Å²	80	27 Å²	27	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-62.6	-28.8	176.3	-57.1	-48.7	0	0	0	114.3	H298 E303 A304 F471 F663	H298-H300 PolarHBondContact O-N 2.94Å; H300-E303 IonicContact ND1-OE2 3.73Å; H300-A304 WeakPolarHBondContact O-CB 3.34Å; H300-A304 PolarHBondContact O-N 2.89Å; H300-F471 HydrophobicContact CB-CE1 4.35Å; H300-F663 HydrophobicContact CB-CD1 4.08Å; H300-F663 HydrophobicContact CB-CE1 4Å; H300-F663 AromaticContact CD2-CD1 3.93Å; H300-F663 AromaticContact CD2-CD2 3.86Å; H300-F663 AromaticContact CD2-CE1 3.83Å; H300-F663 AromaticContact CD2-CE2 3.77Å; H300-F663 AromaticContact CD2-CG 3.95Å; H300-F663 AromaticContact CD2-CZ 3.75Å
301	I	90.6	Very high	86.4	Confident	8 Å²	8	27.1 Å²	27.1	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-75.9	-41.5	175.8	-55.8	-175.8	0	0	0	109.6	H298 E299 E303 A304 I305 L331 F342 F471 V473	H298-I301 HydrophobicContact CB-CB 4.19Å; H298-I301 HydrophobicContact CB-CD1 4.06Å; H298-I301 HydrophobicContact CB-CG1 4.2Å; H298-I301 PolarHBondContact O-N 3.24Å; E299-I301 VanDerWaalsContact C-N 3.28Å; E299-I301 PolarHBondContact O-N 2.68Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-A304 PolarHBondContact O-N 2.9Å; I301-I305 HydrophobicContact CG2-CD1 4.09Å; I301-I305 WeakPolarHBondContact O-CB 3.41Å; I301-I305 VanDerWaalsContact O-CG1 3.3Å; I301-I305 WeakPolarHBondContact O-CG1 3.42Å; I301-I305 PolarHBondContact O-N 3.16Å; I301-L331 HydrophobicContact CG2-CD2 3.8Å; I301-F342 HydrophobicContact CG2-CE1 4.4Å; I301-F342 HydrophobicContact CG2-CE2 4.44Å; I301-F342 HydrophobicContact CG2-CZ 4.26Å; I301-F471 HydrophobicContact CD1-CB 4.27Å; I301-F471 HydrophobicContact CD1-CD1 4.48Å; I301-F471 HydrophobicContact CD1-CG 4.45Å; I301-F471 HydrophobicContact CG1-CB 4.37Å; I301-F471 HydrophobicContact CG1-CD1 3.82Å; I301-F471 HydrophobicContact CG1-CE1 4.24Å; I301-F471 HydrophobicContact CG1-CG 4.01Å; I301-V473 HydrophobicContact CD1-CG2 3.72Å
302	K	90.6	Very high	86.4	Confident	13 Å²	13	27.5 Å²	27.5	6%	0.057	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-39	174.5	-67.2	178.9	175.7	-150.1	0	111.9	T288 I291 A292 I295 G297 H298 E299 I305 L306 F342	T288-K302 HydrophobicContact CG2-CB 3.66Å; T288-K302 WeakPolarHBondContact O-CD 3.09Å; I291-K302 HydrophobicContact CB-CB 4.5Å; I291-K302 HydrophobicContact CG2-CB 4.02Å; I291-K302 HydrophobicContact CG2-CG 4.18Å; I291-K302 WeakPolarHBondContact O-CD 3.39Å; I291-K302 WeakPolarHBondContact O-CE 3.44Å; I291-K302 PolarHBondContact O-NZ 3.05Å; A292-K302 PolarHBondContact O-NZ 2.81Å; I295-K302 WeakPolarHBondContact O-CE 3.27Å; I295-K302 PolarHBondContact O-NZ 3.44Å; G297-K302 WeakPolarHBondContact O-CE 3.49Å; H298-K302 PolarHBondContact O-N 3.34Å; H298-K302 VanDerWaalsContact O-N 3.09Å; E299-K302 WeakPolarHBondContact O-CB 3.37Å; E299-K302 PolarHBondContact O-N 3.16Å; E299-K302 VanDerWaalsContact O-N 3.16Å; K302-I305 PolarHBondContact O-N 2.58Å; K302-L306 PolarHBondContact O-N 3.4Å; K302-F342 HydrophobicContact CG-CE1 3.96Å
303	E	90.9	Very high	86.8	Confident	29 Å²	29	28.9 Å²	28.9	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-46.6	172.9	-177	-177.7	-169.5	0	0	111.3	I284 T288 E299 H300 I301 I305 L306 L307 L660	I284-E303 HydrophobicContact CG2-CG 4.25Å; T288-E303 HydrophobicContact CG2-CB 4.24Å; E299-E303 WeakPolarHBondContact O-CB 3.04Å; E299-E303 PolarHBondContact O-N 3.21Å; H300-E303 IonicContact ND1-OE2 3.73Å; I301-E303 VanDerWaalsContact C-N 3.34Å; E303-I305 VanDerWaalsContact C-N 3.27Å; E303-I305 PolarHBondContact O-N 2.7Å; E303-L306 VanDerWaalsContact O-CB 3.3Å; E303-L306 WeakPolarHBondContact O-CB 3.32Å; E303-L306 PolarHBondContact O-N 3.21Å; E303-L306 VanDerWaalsContact O-N 3.08Å; E303-L307 HydrophobicContact CG-CD1 4.45Å; E303-L307 WeakPolarHBondContact O-CG 3.33Å; E303-L307 PolarHBondContact O-N 2.92Å; E303-L660 HydrophobicContact CG-CD1 4.05Å
304	A	92.1	Very high	87.3	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-35.2	174.5	0	0	0	0	0	112.9	H300 I301 L307 L308 L329 L469 F471	H300-A304 WeakPolarHBondContact O-CB 3.34Å; H300-A304 PolarHBondContact O-N 2.89Å; I301-A304 PolarHBondContact O-N 2.9Å; A304-L307 PolarHBondContact O-N 3.13Å; A304-L308 VanDerWaalsContact O-CB 3.27Å; A304-L308 WeakPolarHBondContact O-CB 3.37Å; A304-L308 PolarHBondContact O-N 3.14Å; A304-L329 HydrophobicContact CB-CD1 3.65Å; A304-L469 HydrophobicContact CB-CD1 3.67Å; A304-F471 HydrophobicContact CB-CE2 3.43Å; A304-F471 VanDerWaalsContact CB-CE2 3.43Å; A304-F471 HydrophobicContact CB-CZ 3.55Å
305	I	92.1	Very high	87.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.1	-36	172.4	-71.6	167.2	0	0	0	111.7	I291 I301 K302 E303 L308 L309 L329 F342 V346	I291-I305 HydrophobicContact CG2-CG2 4.15Å; I301-I305 HydrophobicContact CG2-CD1 4.09Å; I301-I305 WeakPolarHBondContact O-CB 3.41Å; I301-I305 VanDerWaalsContact O-CG1 3.3Å; I301-I305 WeakPolarHBondContact O-CG1 3.42Å; I301-I305 PolarHBondContact O-N 3.16Å; K302-I305 PolarHBondContact O-N 2.58Å; E303-I305 VanDerWaalsContact C-N 3.27Å; E303-I305 PolarHBondContact O-N 2.7Å; I305-L308 WeakPolarHBondContact O-CB 3.4Å; I305-L308 PolarHBondContact O-N 3.06Å; I305-L309 HydrophobicContact CG2-CD1 4.1Å; I305-L309 WeakPolarHBondContact O-CB 3.44Å; I305-L309 WeakPolarHBondContact O-CD1 3.46Å; I305-L309 VanDerWaalsContact O-CG 3.28Å; I305-L309 WeakPolarHBondContact O-CG 3.5Å; I305-L309 PolarHBondContact O-N 3.13Å; I305-L329 HydrophobicContact CG1-CD1 4.22Å; I305-F342 HydrophobicContact CD1-CB 4.12Å; I305-F342 HydrophobicContact CD1-CD1 3.49Å; I305-F342 VanDerWaalsContact CD1-CD1 3.49Å; I305-F342 HydrophobicContact CD1-CE1 4.14Å; I305-F342 HydrophobicContact CD1-CG 4.05Å; I305-V346 HydrophobicContact CG2-CG2 3.54Å
306	L	92	Very high	87.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-47.1	171.4	179.4	62	0	0	0	111.4	I284 L287 I291 K302 E303 L308 L309 L310 L574 A643	I284-L306 HydrophobicContact CG2-CD2 4.4Å; L287-L306 HydrophobicContact CB-CD1 4.12Å; L287-L306 HydrophobicContact CB-CD2 3.62Å; L287-L306 HydrophobicContact CD1-CD1 4.28Å; L287-L306 HydrophobicContact CD1-CD2 4.02Å; L287-L306 HydrophobicContact CG-CD2 4.48Å; I291-L306 HydrophobicContact CD1-CB 3.61Å; I291-L306 HydrophobicContact CD1-CD1 3.81Å; I291-L306 HydrophobicContact CD1-CG 4.24Å; K302-L306 PolarHBondContact O-N 3.4Å; E303-L306 VanDerWaalsContact O-CB 3.3Å; E303-L306 WeakPolarHBondContact O-CB 3.32Å; E303-L306 PolarHBondContact O-N 3.21Å; E303-L306 VanDerWaalsContact O-N 3.08Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.25Å; L306-L309 PolarHBondContact O-N 3.08Å; L306-L310 HydrophobicContact CD1-CD1 4.22Å; L306-L310 HydrophobicContact CG-CD1 4.17Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 2.89Å; L306-L310 VanDerWaalsContact O-N 3.15Å; L306-L574 HydrophobicContact CD1-CD2 4.03Å; L306-A643 HydrophobicContact CD2-CB 4.5Å
307	L	92.3	Very high	87.9	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-37	179	-61.2	172.1	0	0	0	111.6	E303 A304 L310 G311 I327 L636 A639 H640 L660	E303-L307 HydrophobicContact CG-CD1 4.45Å; E303-L307 WeakPolarHBondContact O-CG 3.33Å; E303-L307 PolarHBondContact O-N 2.92Å; A304-L307 PolarHBondContact O-N 3.13Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-G311 PolarHBondContact O-N 3.05Å; L307-I327 HydrophobicContact CB-CD1 4.32Å; L307-L636 HydrophobicContact CB-CD2 4.4Å; L307-L636 HydrophobicContact CD1-CD2 3.83Å; L307-A639 HydrophobicContact CB-CB 4.07Å; L307-A639 HydrophobicContact CD2-CB 3.66Å; L307-A639 HydrophobicContact CG-CB 4.46Å; L307-H640 HydrophobicContact CD2-CB 4Å; L307-L660 HydrophobicContact CD1-CD1 3.87Å
308	L	92.2	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-46.5	171.9	176	75.6	0	0	0	112.6	A304 I305 L306 L310 G311 I327 I393 L437	A304-L308 VanDerWaalsContact O-CB 3.27Å; A304-L308 WeakPolarHBondContact O-CB 3.37Å; A304-L308 PolarHBondContact O-N 3.14Å; I305-L308 WeakPolarHBondContact O-CB 3.4Å; I305-L308 PolarHBondContact O-N 3.06Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.25Å; L308-L310 VanDerWaalsContact C-N 3.32Å; L308-L310 PolarHBondContact O-N 3.07Å; L308-G311 PolarHBondContact O-N 3.2Å; L308-I327 WeakPolarHBondContact CD1-O 3.47Å; L308-I393 HydrophobicContact CD2-CD1 4.45Å; L308-I393 HydrophobicContact CG-CD1 4.23Å; L308-L437 HydrophobicContact CD2-CB 4.02Å; L308-L437 HydrophobicContact CD2-CD1 4.07Å; L308-L437 HydrophobicContact CD2-CD2 4.09Å; L308-L437 HydrophobicContact CD2-CG 4.28Å
309	L	90.3	Very high	88.7	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-37.8	178.7	-76.4	163.8	0	0	0	112.4	I291 I305 L306 I349 A350 I393 L574 R578	I291-L309 HydrophobicContact CD1-CD1 4.31Å; I305-L309 HydrophobicContact CG2-CD1 4.1Å; I305-L309 WeakPolarHBondContact O-CB 3.44Å; I305-L309 WeakPolarHBondContact O-CD1 3.46Å; I305-L309 VanDerWaalsContact O-CG 3.28Å; I305-L309 WeakPolarHBondContact O-CG 3.5Å; I305-L309 PolarHBondContact O-N 3.13Å; L306-L309 PolarHBondContact O-N 3.08Å; L309-I349 HydrophobicContact CD1-CG2 4.03Å; L309-I349 HydrophobicContact CD2-CG2 4.06Å; L309-A350 HydrophobicContact CD2-CB 3.86Å; L309-I393 HydrophobicContact CD2-CD1 3.8Å; L309-I393 HydrophobicContact CG-CD1 4.43Å; L309-L574 HydrophobicContact CB-CD1 4.33Å; L309-L574 HydrophobicContact CB-CD2 4.19Å; L309-L574 HydrophobicContact CD1-CD1 4.13Å; L309-R578 WeakPolarHBondContact O-CD 3.41Å; L309-R578 PolarHBondContact O-NH1 3.35Å
310	L	89.4	Confident	88.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-78.2	-35	178.7	-71.2	169.5	0	0	0	113.6	L306 L307 L308 L574 A577 K642 A643	L306-L310 HydrophobicContact CD1-CD1 4.22Å; L306-L310 HydrophobicContact CG-CD1 4.17Å; L306-L310 WeakPolarHBondContact O-CG 3.41Å; L306-L310 PolarHBondContact O-N 2.89Å; L306-L310 VanDerWaalsContact O-N 3.15Å; L307-L310 PolarHBondContact O-N 2.85Å; L308-L310 VanDerWaalsContact C-N 3.32Å; L308-L310 PolarHBondContact O-N 3.07Å; L310-L574 HydrophobicContact CD2-CD2 3.65Å; L310-L574 HydrophobicContact CG-CD2 3.86Å; L310-A577 HydrophobicContact CD2-CB 3.4Å; L310-A577 VanDerWaalsContact CD2-CB 3.4Å; L310-K642 HydrophobicContact CB-CD 4.4Å; L310-K642 HydrophobicContact CD2-CB 4.45Å; L310-K642 PolarHBondContact O-NZ 3.19Å; L310-A643 HydrophobicContact CD1-CB 3.56Å
311	G	85.3	Confident	88.1	Confident	8 Å²	8	44.3 Å²	44.3	8%	0.082	25%	0.252	C	S	.	.			trans	62.5	163.1	-172.1	0	0	0	0	0	114	L307 L308 K642	L307-G311 PolarHBondContact O-N 3.05Å; L308-G311 PolarHBondContact O-N 3.2Å; G311-K642 WeakPolarHBondContact O-CD 3.48Å; G311-K642 VanDerWaalsContact O-CE 3.3Å; G311-K642 WeakPolarHBondContact O-CE 3.24Å; G311-K642 PolarHBondContact O-NZ 3.32Å
312	G	82.2	Confident	87.7	Confident	8 Å²	8	47 Å²	47	8%	0.082	26%	0.262	C	S	.	.			trans	-75.8	-158.6	170.5	0	0	0	0	0	112.7	G325 K642	G312-G325 WeakPolarHBondContact CA-O 3.5Å; G312-G325 PolarHBondContact N-O 3.22Å; G312-K642 WeakPolarHBondContact O-CE 3.4Å; G312-K642 PolarHBondContact O-NZ 3.37Å
313	V	88.7	Confident	87.5	Confident	28 Å²	28	49.4 Å²	49.4	17%	0.17	28%	0.275	C	S	.	.			trans	-110.6	113.6	176.6	179	0	0	0	0	109.4	K581 P582 T638	V313-K581 HydrophobicContact CG1-CB 4.26Å; V313-K581 HydrophobicContact CG1-CG 4.33Å; V313-P582 HydrophobicContact CG2-CG 4.27Å; V313-T638 HydrophobicContact CG2-CG2 4.49Å
314	E	86.9	Confident	87.3	Confident	63 Å²	63	48.8 Å²	48.8	29%	0.294	27%	0.271	S	S	.	.			trans	-56.4	139.1	167.5	-70	-164.3	-163.9	0	0	110.7	R322	E314-R322 VanDerWaalsContact CD-NE 3.34Å; E314-R322 IonicContact OE1-CZ 3.8Å; E314-R322 IonicContact OE1-NE 3.36Å; E314-R322 IonicContact OE1-NH2 3.64Å; E314-R322 PolarHBondContact OE1-NH2 2.86Å; E314-R322 IonicContact OE2-CZ 3.75Å; E314-R322 IonicContact OE2-NE 2.66Å; E314-R322 PolarHBondContact OE2-NE 3.32Å; E314-R322 IonicContact OE2-NH2 2.76Å; E314-R322 PolarHBondContact OE2-NH2 3.35Å
315	R	84.3	Confident	86.9	Confident	103 Å²	103	48.8 Å²	48.8	39%	0.389	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.7	173.6	-62.2	-175.8	-176.8	-179.1	2.2	110.2	I323	R315-I323 HydrophobicContact CB-CB 4.37Å; R315-I323 PolarHBondContact N-O 3.36Å; R315-I323 PolarHBondContact O-N 2.82Å
316	Q	85.1	Confident	86.9	Confident	159 Å²	159	49.9 Å²	49.9	74%	0.743	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.5	165	-68	175	-11.4	0	0	107.9
317	L	86.3	Confident	86.9	Confident	81 Å²	81	49.9 Å²	49.9	42%	0.424	28%	0.277	S	S	.	.			trans	-83.2	153.8	174.4	-70.6	161.5	0	0	0	109.6	N319 G320 S321 I323	L317-N319 WeakPolarHBondContact CB-OD1 3.42Å; L317-N319 PolarHBondContact O-N 3.18Å; L317-N319 VanDerWaalsContact O-N 3.07Å; L317-G320 PolarHBondContact O-N 3.21Å; L317-S321 PolarHBondContact N-O 3.26Å; L317-I323 HydrophobicContact CD1-CD1 4.12Å; L317-I323 HydrophobicContact CD1-CG1 4.23Å; L317-I323 HydrophobicContact CG-CD1 4.44Å
318	T	88.7	Confident	86.9	Confident	162 Å²	162	49.7 Å²	49.7	99%	0.994	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.8	179.4	48.7	0	0	0	0	114	G320	T318-G320 VanDerWaalsContact C-N 3.32Å
319	N	87.5	Confident	86.9	Confident	125 Å²	125	49.7 Å²	49.7	67%	0.668	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	8.4	172.9	69	0.1	0	0	0	114	L317 S321	L317-N319 WeakPolarHBondContact CB-OD1 3.42Å; L317-N319 PolarHBondContact O-N 3.18Å; L317-N319 VanDerWaalsContact O-N 3.07Å; N319-S321 VanDerWaalsContact C-N 3.32Å; N319-S321 PolarHBondContact O-N 3.11Å; N319-S321 VanDerWaalsContact OD1-CB 3.3Å; N319-S321 WeakPolarHBondContact OD1-CB 3.22Å; N319-S321 PolarHBondContact OD1-N 2.9Å; N319-S321 VanDerWaalsContact OD1-N 3.1Å
320	G	79.4	Confident	86.9	Confident	71 Å²	71	49.4 Å²	49.4	73%	0.732	28%	0.275	S	S	*	.	S	Bend	trans	82.1	-0.9	179.7	0	0	0	0	0	115.5	L317 T318	L317-G320 PolarHBondContact O-N 3.21Å; T318-G320 VanDerWaalsContact C-N 3.32Å
321	S	83.1	Confident	87	Confident	60 Å²	60	49.3 Å²	49.3	42%	0.42	27%	0.274	S	S	.	.			trans	-76.1	139.6	174	-174.6	0	0	0	0	111.7	L317 N319	L317-S321 PolarHBondContact N-O 3.26Å; N319-S321 VanDerWaalsContact C-N 3.32Å; N319-S321 PolarHBondContact O-N 3.11Å; N319-S321 VanDerWaalsContact OD1-CB 3.3Å; N319-S321 WeakPolarHBondContact OD1-CB 3.22Å; N319-S321 PolarHBondContact OD1-N 2.9Å; N319-S321 VanDerWaalsContact OD1-N 3.1Å
322	R	82.7	Confident	87.1	Confident	65 Å²	65	49 Å²	49	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.7	177.2	174.6	-179.4	172.5	-93.6	-3.2	109.9	E314 D326 Q416	E314-R322 VanDerWaalsContact CD-NE 3.34Å; E314-R322 IonicContact OE1-CZ 3.8Å; E314-R322 IonicContact OE1-NE 3.36Å; E314-R322 IonicContact OE1-NH2 3.64Å; E314-R322 PolarHBondContact OE1-NH2 2.86Å; E314-R322 IonicContact OE2-CZ 3.75Å; E314-R322 IonicContact OE2-NE 2.66Å; E314-R322 PolarHBondContact OE2-NE 3.32Å; E314-R322 IonicContact OE2-NH2 2.76Å; E314-R322 PolarHBondContact OE2-NH2 3.35Å; R322-D326 IonicContact NH2-OD2 3.38Å; R322-D326 PolarHBondContact NH2-OD2 2.83Å; R322-Q416 PolarHBondContact NH1-O 3.24Å
323	I	85.4	Confident	87.4	Confident	62 Å²	62	48.6 Å²	48.6	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.9	167.6	-57.6	173	0	0	0	108.5	R315 L317 G325	R315-I323 HydrophobicContact CB-CB 4.37Å; R315-I323 PolarHBondContact N-O 3.36Å; R315-I323 PolarHBondContact O-N 2.82Å; L317-I323 HydrophobicContact CD1-CD1 4.12Å; L317-I323 HydrophobicContact CD1-CG1 4.23Å; L317-I323 HydrophobicContact CG-CD1 4.44Å; I323-G325 PolarHBondContact O-N 3.39Å
324	R	87.7	Confident	87.3	Confident	16 Å²	16	47.7 Å²	47.7	6%	0.06	26%	0.261	C	S	.	.			trans	-63	123.2	177	177.2	-177.4	149.6	-144.4	-24.6	110.9	D326 N328 M414 D468 R635	R324-D326 HydrophobicContact CG-CB 4.12Å; R324-D326 WeakPolarHBondContact CG-OD2 3.47Å; R324-D326 VanDerWaalsContact CZ-O 3.3Å; R324-D326 PolarHBondContact NE-O 3.24Å; R324-D326 PolarHBondContact NH2-O 3.22Å; R324-N328 PolarHBondContact NH1-ND2 3.13Å; R324-N328 PolarHBondContact NH2-ND2 3.34Å; R324-N328 PolarHBondContact NH2-OD1 3.43Å; R324-M414 WeakPolarHBondContact CD-O 3.48Å; R324-M414 PolarHBondContact NH1-O 3.07Å; R324-D468 IonicContact CZ-OD2 2.67Å; R324-D468 IonicContact NH1-OD2 3.35Å; R324-D468 IonicContact NH2-OD2 3.21Å; R324-D468 PolarHBondContact NH2-OD2 2.92Å; R324-R635 PolarHBondContact O-NE 2.84Å; R324-R635 PolarHBondContact O-NH2 2.98Å
325	G	84.2	Confident	87.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.01	27%	0.266	C	S	.	.			trans	-90	-18.2	174.3	0	0	0	0	0	114.2	G312 I323	G312-G325 WeakPolarHBondContact CA-O 3.5Å; G312-G325 PolarHBondContact N-O 3.22Å; I323-G325 PolarHBondContact O-N 3.39Å
326	D	90.9	Very high	86.9	Confident	23 Å²	23	48.9 Å²	48.9	12%	0.123	29%	0.291	C	S	.	.			trans	-73.8	146.1	-169.7	-39.6	-59.6	0	0	0	111.4	R322 R324 R635	R322-D326 IonicContact NH2-OD2 3.38Å; R322-D326 PolarHBondContact NH2-OD2 2.83Å; R324-D326 HydrophobicContact CG-CB 4.12Å; R324-D326 WeakPolarHBondContact CG-OD2 3.47Å; R324-D326 VanDerWaalsContact CZ-O 3.3Å; R324-D326 PolarHBondContact NE-O 3.24Å; R324-D326 PolarHBondContact NH2-O 3.22Å; D326-R635 WeakPolarHBondContact O-CD 2.76Å
327	I	91.8	Very high	86.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.262	C	S	.	.			trans	-106.2	136.6	-179.6	-66.1	158.8	0	0	0	108.6	L307 L308 S435 D468 R635 L636 A639	L307-I327 HydrophobicContact CB-CD1 4.32Å; L308-I327 WeakPolarHBondContact CD1-O 3.47Å; I327-S435 WeakPolarHBondContact O-CB 3.46Å; I327-D468 HydrophobicContact CG2-CB 4.14Å; I327-R635 HydrophobicContact CD1-CB 4.25Å; I327-R635 HydrophobicContact CG1-CB 3.83Å; I327-L636 HydrophobicContact CD1-CD2 4.1Å; I327-A639 HydrophobicContact CD1-CB 4.11Å
328	N	93	Very high	86.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	26%	0.255	C	S	.	.			trans	-114.5	135.1	175.4	-70.3	-10.2	0	0	0	111.3	R324 M414 V436 F467 D468 L469	R324-N328 PolarHBondContact NH1-ND2 3.13Å; R324-N328 PolarHBondContact NH2-ND2 3.34Å; R324-N328 PolarHBondContact NH2-OD1 3.43Å; N328-M414 HydrophobicContact CB-CE 4.04Å; N328-M414 WeakPolarHBondContact ND2-CE 3.39Å; N328-V436 WeakPolarHBondContact CA-O 3.37Å; N328-V436 HydrophobicContact CB-CB 4.46Å; N328-V436 PolarHBondContact OD1-N 3.38Å; N328-F467 HydrophobicContact CB-CD1 3.97Å; N328-D468 PolarHBondContact N-OD2 2.84Å; N328-D468 PolarHBondContact O-N 3.44Å; N328-L469 PolarHBondContact O-N 3.23Å; N328-L469 VanDerWaalsContact O-N 3.15Å
329	L	92	Very high	86.4	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.7	-170.8	-163.6	167.8	0	0	0	110.3	A304 I305 L331 V436 L437 A438 L469 F471	A304-L329 HydrophobicContact CB-CD1 3.65Å; I305-L329 HydrophobicContact CG1-CD1 4.22Å; L329-L331 HydrophobicContact CD2-CD2 3.49Å; L329-L331 VanDerWaalsContact CD2-CD2 3.49Å; L329-L331 HydrophobicContact CD2-CG 3.75Å; L329-V436 PolarHBondContact N-O 3.06Å; L329-L437 HydrophobicContact CB-CD1 4.02Å; L329-L437 HydrophobicContact CD1-CD1 4.41Å; L329-L437 HydrophobicContact CD2-CD1 3.81Å; L329-L437 HydrophobicContact CG-CD1 4.29Å; L329-L437 WeakPolarHBondContact O-CA 3.49Å; L329-A438 PolarHBondContact O-N 2.85Å; L329-L469 WeakPolarHBondContact CA-O 3.4Å; L329-L469 HydrophobicContact CG-CB 4.28Å; L329-F471 HydrophobicContact CD1-CE2 4.27Å; L329-F471 HydrophobicContact CD2-CD2 3.89Å; L329-F471 HydrophobicContact CD2-CE2 4.35Å; L329-F471 HydrophobicContact CG-CD2 4.2Å; L329-F471 HydrophobicContact CG-CE2 4.2Å
330	L	91.3	Very high	86.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.3	175.3	179.2	61	0	0	0	110.9	M332 A438 A440 L459 F467 L469 L470 F471	L330-M332 HydrophobicContact CD2-CG 4.31Å; L330-M332 HydrophobicContact CD2-SD 4.48Å; L330-M332 HydrophobicContact CG-CG 4.25Å; L330-A438 CarbonylContact C-O 3.53Å; L330-A438 WeakPolarHBondContact CA-O 3.26Å; L330-A438 HydrophobicContact CD1-CB 3.69Å; L330-A440 HydrophobicContact CD1-CB 4.2Å; L330-L459 HydrophobicContact CD2-CD1 4Å; L330-F467 HydrophobicContact CB-CB 4.28Å; L330-F467 HydrophobicContact CB-CD1 3.83Å; L330-F467 HydrophobicContact CB-CD2 4.34Å; L330-F467 HydrophobicContact CB-CE1 4.23Å; L330-F467 HydrophobicContact CB-CG 3.89Å; L330-F467 HydrophobicContact CD2-CD2 4.15Å; L330-F467 HydrophobicContact CD2-CE2 4.35Å; L330-F467 HydrophobicContact CD2-CG 4.5Å; L330-L469 PolarHBondContact N-O 2.87Å; L330-L470 HydrophobicContact CB-CG 4.39Å; L330-L470 HydrophobicContact CD2-CD1 4.08Å; L330-L470 HydrophobicContact CD2-CG 4.08Å; L330-L470 HydrophobicContact CG-CG 4.39Å; L330-F471 PolarHBondContact O-N 2.91Å
331	L	90.8	Very high	86.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	94.7	174.1	-62.1	179.2	0	0	0	110.1	I301 L329 K339 F342 L437 A438 A439 A440 F471	I301-L331 HydrophobicContact CG2-CD2 3.8Å; L329-L331 HydrophobicContact CD2-CD2 3.49Å; L329-L331 VanDerWaalsContact CD2-CD2 3.49Å; L329-L331 HydrophobicContact CD2-CG 3.75Å; L331-K339 HydrophobicContact CB-CD 4.02Å; L331-K339 HydrophobicContact CB-CG 4.1Å; L331-K339 HydrophobicContact CD1-CG 4.49Å; L331-K339 WeakPolarHBondContact O-CD 3.27Å; L331-F342 HydrophobicContact CD1-CB 4.18Å; L331-L437 HydrophobicContact CD1-CD1 4.43Å; L331-A438 PolarHBondContact N-O 2.88Å; L331-A439 HydrophobicContact CB-CB 4.46Å; L331-A439 WeakPolarHBondContact O-CA 3.33Å; L331-A440 PolarHBondContact O-N 3.28Å; L331-F471 HydrophobicContact CD2-CB 4.11Å; L331-F471 HydrophobicContact CD2-CD2 4.44Å
332	M	88.2	Confident	86.9	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	153	166.5	-71.2	-61.5	-51.6	0	0	110.3	L330 A440 I457 L470 F471 I472 V473	L330-M332 HydrophobicContact CD2-CG 4.31Å; L330-M332 HydrophobicContact CD2-SD 4.48Å; L330-M332 HydrophobicContact CG-CG 4.25Å; M332-A440 HydrophobicContact CE-CB 4.4Å; M332-A440 HydrophobicContact SD-CB 3.5Å; M332-A440 VanDerWaalsContact SD-CB 3.5Å; M332-I457 HydrophobicContact CE-CB 4.32Å; M332-I457 HydrophobicContact CE-CG1 4.01Å; M332-I457 HydrophobicContact CE-CG2 4.3Å; M332-I457 HydrophobicContact CG-CG1 4.13Å; M332-I457 HydrophobicContact SD-CG1 4.3Å; M332-I457 HydrophobicContact SD-CG2 3.99Å; M332-L470 HydrophobicContact CB-CD2 4.4Å; M332-L470 HydrophobicContact CG-CD2 4.03Å; M332-F471 PolarHBondContact N-O 2.87Å; M332-I472 HydrophobicContact CB-CB 4.4Å; M332-I472 HydrophobicContact CB-CG1 4.12Å; M332-I472 HydrophobicContact CB-CG2 4.37Å; M332-I472 WeakPolarHBondContact O-CA 3.24Å; M332-V473 PolarHBondContact O-N 2.93Å
333	G	86.6	Confident	87.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.8	178.6	169.3	0	0	0	0	0	113.9	K339 A440 P442 V473	G333-K339 WeakPolarHBondContact O-CE 3.47Å; G333-K339 PolarHBondContact O-NZ 2.66Å; G333-A440 PolarHBondContact N-O 3.12Å; G333-P442 WeakPolarHBondContact O-CD 3.5Å; G333-V473 WeakPolarHBondContact CA-O 3.3Å
334	D	86.6	Confident	87.2	Confident	9 Å²	9	27.7 Å²	27.7	5%	0.048	16%	0.155	C	C	.	.			trans	-63.9	157.9	179	-53.6	-67	0	0	0	112	V337 K339 K446 Y447 L474 D475	D334-V337 HydrophobicContact CB-CG2 3.92Å; D334-K339 VanDerWaalsContact O-CE 3.3Å; D334-K339 WeakPolarHBondContact O-CE 3.29Å; D334-K446 WeakPolarHBondContact OD1-CA 3.44Å; D334-Y447 PolarHBondContact OD1-N 2.94Å; D334-L474 WeakPolarHBondContact OD2-CA 2.95Å; D334-D475 HydrophobicContact CB-CB 3.97Å; D334-D475 PolarHBondContact OD2-N 3.42Å
335	P	83.6	Confident	87.2	Confident	63 Å²	63	28 Å²	28	41%	0.409	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	164.5	166.9	27.8	-35.9	0	0	0	110.8	V337 G445	P335-V337 PolarHBondContact O-N 3.07Å; P335-G445 WeakPolarHBondContact CD-O 3.46Å
336	S	80.2	Confident	87.4	Confident	129 Å²	129	28 Å²	28	90%	0.902	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	-19	-174.1	-50.8	0	0	0	0	116.4	A338	S336-A338 PolarHBondContact O-N 2.65Å
337	V	81.3	Confident	87.1	Confident	24 Å²	24	29 Å²	29	15%	0.145	16%	0.162	C	C	.	.	S	Bend	trans	-77.2	58.7	-177.8	-163.5	0	0	0	0	113	D334 P335 K339 V473 D475	D334-V337 HydrophobicContact CB-CG2 3.92Å; P335-V337 PolarHBondContact O-N 3.07Å; V337-K339 PolarHBondContact O-N 3.25Å; V337-V473 HydrophobicContact CG1-CB 4Å; V337-V473 HydrophobicContact CG1-CG1 3.5Å; V337-D475 HydrophobicContact CG2-CB 3.91Å
338	A	82.8	Confident	86.5	Confident	32 Å²	32	34.4 Å²	34.4	26%	0.264	19%	0.187	S	C	.	.	S	Bend	trans	51.9	-2.4	168.2	0	0	0	0	0	119.9	I295 S336 S340 Q341 F342	I295-A338 HydrophobicContact CD1-CB 4.24Å; I295-A338 HydrophobicContact CG2-CB 4.32Å; S336-A338 PolarHBondContact O-N 2.65Å; A338-S340 PolarHBondContact O-N 3.01Å; A338-Q341 WeakPolarHBondContact O-CA 3.49Å; A338-Q341 VanDerWaalsContact O-CB 3.28Å; A338-Q341 WeakPolarHBondContact O-CB 3.48Å; A338-Q341 PolarHBondContact O-N 3.02Å; A338-F342 HydrophobicContact CB-CE2 4.46Å; A338-F342 PolarHBondContact O-N 2.94Å
339	K	85.5	Confident	86.1	Confident	11 Å²	11	34.6 Å²	34.6	5%	0.048	19%	0.188	C	C	.	.	H	α-helix	trans	-50.6	-50.8	-172.7	-75	-179.5	-86.5	155.2	0	114.2	L331 G333 D334 V337 Q341 F342 L343 A439 A440 N441	L331-K339 HydrophobicContact CB-CD 4.02Å; L331-K339 HydrophobicContact CB-CG 4.1Å; L331-K339 HydrophobicContact CD1-CG 4.49Å; L331-K339 WeakPolarHBondContact O-CD 3.27Å; G333-K339 WeakPolarHBondContact O-CE 3.47Å; G333-K339 PolarHBondContact O-NZ 2.66Å; D334-K339 VanDerWaalsContact O-CE 3.3Å; D334-K339 WeakPolarHBondContact O-CE 3.29Å; V337-K339 PolarHBondContact O-N 3.25Å; K339-Q341 PolarHBondContact O-N 3.48Å; K339-F342 WeakPolarHBondContact O-CB 3.26Å; K339-F342 PolarHBondContact O-N 3.42Å; K339-L343 PolarHBondContact O-N 2.72Å; K339-L343 VanDerWaalsContact O-N 3.08Å; K339-A439 HydrophobicContact CB-CB 4.23Å; K339-A440 PolarHBondContact NZ-O 3.06Å; K339-N441 PolarHBondContact NZ-OD1 3.16Å
340	S	84.2	Confident	85.3	Confident	36 Å²	36	35.4 Å²	35.4	25%	0.252	19%	0.194	S	C	.	.	H	α-helix	trans	-67.2	-19	178.7	-44.9	0	0	0	0	113.5	A338 R344 D397	A338-S340 PolarHBondContact O-N 3.01Å; S340-R344 VanDerWaalsContact O-CG 3.26Å; S340-R344 WeakPolarHBondContact O-CG 3.39Å; S340-R344 PolarHBondContact O-N 3.08Å; S340-D397 VanDerWaalsContact CB-OD2 3.29Å; S340-D397 WeakPolarHBondContact CB-OD2 3.35Å; S340-D397 PolarHBondContact OG-OD2 3.1Å
341	Q	86.3	Confident	84.3	Confident	96 Å²	96	40.1 Å²	40.1	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-75.4	-36.5	170.3	-57.2	-68.5	51.7	0	0	111.5	I295 A338 K339 R344 F345	I295-Q341 HydrophobicContact CD1-CB 3.91Å; I295-Q341 HydrophobicContact CG1-CB 4.45Å; A338-Q341 WeakPolarHBondContact O-CA 3.49Å; A338-Q341 VanDerWaalsContact O-CB 3.28Å; A338-Q341 WeakPolarHBondContact O-CB 3.48Å; A338-Q341 PolarHBondContact O-N 3.02Å; K339-Q341 PolarHBondContact O-N 3.48Å; Q341-R344 PolarHBondContact O-N 2.61Å; Q341-F345 WeakPolarHBondContact O-CB 3.4Å; Q341-F345 PolarHBondContact O-N 3.2Å
342	F	89.3	Confident	83.6	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-42.9	169.3	-74.8	-69.4	0	0	0	111.4	A292 I295 H298 I301 K302 I305 L331 A338 K339 F345 V346	A292-F342 HydrophobicContact CB-CD1 4.27Å; A292-F342 HydrophobicContact CB-CE1 4.19Å; I295-F342 HydrophobicContact CB-CZ 4.4Å; I295-F342 HydrophobicContact CD1-CD1 3.68Å; I295-F342 HydrophobicContact CD1-CD2 3.8Å; I295-F342 HydrophobicContact CD1-CE1 3.68Å; I295-F342 HydrophobicContact CD1-CE2 3.8Å; I295-F342 HydrophobicContact CD1-CG 3.75Å; I295-F342 HydrophobicContact CD1-CZ 3.75Å; I295-F342 HydrophobicContact CG2-CE1 4.45Å; I295-F342 HydrophobicContact CG2-CE2 4.17Å; I295-F342 HydrophobicContact CG2-CZ 3.79Å; H298-F342 HydrophobicContact CB-CZ 4.22Å; I301-F342 HydrophobicContact CG2-CE1 4.4Å; I301-F342 HydrophobicContact CG2-CE2 4.44Å; I301-F342 HydrophobicContact CG2-CZ 4.26Å; K302-F342 HydrophobicContact CG-CE1 3.96Å; I305-F342 HydrophobicContact CD1-CB 4.12Å; I305-F342 HydrophobicContact CD1-CD1 3.49Å; I305-F342 VanDerWaalsContact CD1-CD1 3.49Å; I305-F342 HydrophobicContact CD1-CE1 4.14Å; I305-F342 HydrophobicContact CD1-CG 4.05Å; L331-F342 HydrophobicContact CD1-CB 4.18Å; A338-F342 HydrophobicContact CB-CE2 4.46Å; A338-F342 PolarHBondContact O-N 2.94Å; K339-F342 WeakPolarHBondContact O-CB 3.26Å; K339-F342 PolarHBondContact O-N 3.42Å; F342-F345 PolarHBondContact O-N 3.45Å; F342-V346 WeakPolarHBondContact O-CG2 3.27Å; F342-V346 PolarHBondContact O-N 2.93Å
343	L	89.4	Confident	83.4	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-52.1	174.6	-62.3	-171.8	0	0	0	111.5	K339 F345 V346 L347 C395 D397 L437 A439	K339-L343 PolarHBondContact O-N 2.72Å; K339-L343 VanDerWaalsContact O-N 3.08Å; L343-F345 VanDerWaalsContact C-N 3.33Å; L343-F345 PolarHBondContact O-N 3.12Å; L343-V346 PolarHBondContact O-N 2.93Å; L343-L347 WeakPolarHBondContact O-CG 3.42Å; L343-L347 PolarHBondContact O-N 2.96Å; L343-C395 HydrophobicContact CD2-CB 4.33Å; L343-D397 HydrophobicContact CD1-CB 3.58Å; L343-L437 HydrophobicContact CD2-CD1 4.49Å; L343-L437 HydrophobicContact CD2-CD2 3.71Å; L343-L437 HydrophobicContact CD2-CG 3.59Å; L343-A439 HydrophobicContact CD1-CB 3.91Å; L343-A439 HydrophobicContact CD2-CB 4.49Å; L343-A439 HydrophobicContact CG-CB 4.36Å
344	R	86	Confident	83.3	Confident	126 Å²	126	44.5 Å²	44.5	48%	0.475	24%	0.237	S	C	.	.	H	α-helix	trans	-57.1	-43.6	177.4	-72.1	169.9	-164.7	124.7	6.5	112.3	S340 Q341 V346 L347 H348	S340-R344 VanDerWaalsContact O-CG 3.26Å; S340-R344 WeakPolarHBondContact O-CG 3.39Å; S340-R344 PolarHBondContact O-N 3.08Å; Q341-R344 PolarHBondContact O-N 2.61Å; R344-V346 VanDerWaalsContact C-N 3.35Å; R344-V346 PolarHBondContact O-N 2.94Å; R344-L347 WeakPolarHBondContact O-CB 3.42Å; R344-L347 PolarHBondContact O-N 2.82Å; R344-H348 PolarHBondContact O-CD2 3.18Å; R344-H348 PolarHBondContact O-N 2.93Å
345	F	86.4	Confident	83.3	Confident	24 Å²	24	47.4 Å²	47.4	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-41.5	177.9	-172.2	-95.9	0	0	0	112.4	I291 A292 Q341 F342 L343 H348 I349	I291-F345 HydrophobicContact CB-CE1 4.14Å; I291-F345 HydrophobicContact CG1-CE1 4.2Å; I291-F345 HydrophobicContact CG2-CD1 4.27Å; I291-F345 HydrophobicContact CG2-CE1 3.88Å; A292-F345 HydrophobicContact CB-CB 4.49Å; A292-F345 HydrophobicContact CB-CD1 4.09Å; A292-F345 HydrophobicContact CB-CD2 4.33Å; A292-F345 HydrophobicContact CB-CE1 4.45Å; A292-F345 HydrophobicContact CB-CG 4.03Å; Q341-F345 WeakPolarHBondContact O-CB 3.4Å; Q341-F345 PolarHBondContact O-N 3.2Å; F342-F345 PolarHBondContact O-N 3.45Å; L343-F345 VanDerWaalsContact C-N 3.33Å; L343-F345 PolarHBondContact O-N 3.12Å; F345-H348 PolarHBondContact O-N 3.03Å; F345-I349 HydrophobicContact CD1-CD1 4.44Å; F345-I349 HydrophobicContact CD1-CG1 4.37Å; F345-I349 HydrophobicContact CE1-CD1 3.48Å; F345-I349 VanDerWaalsContact CE1-CD1 3.48Å; F345-I349 HydrophobicContact CE1-CG1 3.86Å; F345-I349 HydrophobicContact CE2-CD1 4.11Å; F345-I349 HydrophobicContact CE2-CG1 4.38Å; F345-I349 HydrophobicContact CZ-CD1 3.28Å; F345-I349 HydrophobicContact CZ-CG1 3.87Å; F345-I349 PolarHBondContact O-N 2.66Å; F345-I349 VanDerWaalsContact O-N 3.16Å
346	V	88.6	Confident	83.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-35.8	176.4	173.1	0	0	0	0	112	I305 F342 L343 R344 H348 I349 A350 I393 L437	I305-V346 HydrophobicContact CG2-CG2 3.54Å; F342-V346 WeakPolarHBondContact O-CG2 3.27Å; F342-V346 PolarHBondContact O-N 2.93Å; L343-V346 PolarHBondContact O-N 2.93Å; R344-V346 VanDerWaalsContact C-N 3.35Å; R344-V346 PolarHBondContact O-N 2.94Å; V346-H348 VanDerWaalsContact C-N 3.31Å; V346-H348 PolarHBondContact O-N 3.04Å; V346-I349 PolarHBondContact O-N 3.02Å; V346-A350 WeakPolarHBondContact O-CB 3.34Å; V346-A350 PolarHBondContact O-N 3.44Å; V346-I393 HydrophobicContact CG1-CD1 3.92Å; V346-I393 HydrophobicContact CG1-CG2 4.13Å; V346-L437 HydrophobicContact CB-CD2 3.89Å; V346-L437 HydrophobicContact CG1-CD2 3.92Å; V346-L437 HydrophobicContact CG2-CD2 3.77Å
347	L	84.8	Confident	83.7	Confident	43 Å²	43	42.1 Å²	42.1	23%	0.225	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-39.5	174.5	-69.9	170.4	0	0	0	112.7	L343 R344 A353 A355 C395	L343-L347 WeakPolarHBondContact O-CG 3.42Å; L343-L347 PolarHBondContact O-N 2.96Å; R344-L347 WeakPolarHBondContact O-CB 3.42Å; R344-L347 PolarHBondContact O-N 2.82Å; L347-A353 HydrophobicContact CB-CB 4.42Å; L347-A353 HydrophobicContact CD2-CB 3.75Å; L347-A355 HydrophobicContact CD1-CB 3.73Å; L347-A355 HydrophobicContact CD2-CB 3.99Å; L347-C395 HydrophobicContact CD2-CB 3.91Å; L347-C395 HydrophobicContact CG-CB 4.27Å
348	H	80	Confident	83.5	Confident	114 Å²	114	41 Å²	41	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-81.1	-26.8	180	-62.4	-61.1	0	0	0	114.1	R344 F345 V346 Q571	R344-H348 PolarHBondContact O-CD2 3.18Å; R344-H348 PolarHBondContact O-N 2.93Å; F345-H348 PolarHBondContact O-N 3.03Å; V346-H348 VanDerWaalsContact C-N 3.31Å; V346-H348 PolarHBondContact O-N 3.04Å; H348-Q571 PolarHBondContact O-NE2 2.8Å
349	I	83.8	Confident	83.4	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-86.3	-36.8	-179.6	-68.8	-138.5	0	0	0	113.1	L309 F345 V346 I567 L570 Q571 L574	L309-I349 HydrophobicContact CD1-CG2 4.03Å; L309-I349 HydrophobicContact CD2-CG2 4.06Å; F345-I349 HydrophobicContact CD1-CD1 4.44Å; F345-I349 HydrophobicContact CD1-CG1 4.37Å; F345-I349 HydrophobicContact CE1-CD1 3.48Å; F345-I349 VanDerWaalsContact CE1-CD1 3.48Å; F345-I349 HydrophobicContact CE1-CG1 3.86Å; F345-I349 HydrophobicContact CE2-CD1 4.11Å; F345-I349 HydrophobicContact CE2-CG1 4.38Å; F345-I349 HydrophobicContact CZ-CD1 3.28Å; F345-I349 HydrophobicContact CZ-CG1 3.87Å; F345-I349 PolarHBondContact O-N 2.66Å; F345-I349 VanDerWaalsContact O-N 3.16Å; V346-I349 PolarHBondContact O-N 3.02Å; I349-I567 HydrophobicContact CD1-CG2 3.95Å; I349-I567 HydrophobicContact CG1-CG2 4.19Å; I349-L570 HydrophobicContact CD1-CD2 3.74Å; I349-Q571 PolarHBondContact O-NE2 3Å; I349-L574 HydrophobicContact CG2-CD1 3.8Å
350	A	76.7	Confident	82.8	Confident	16 Å²	16	52 Å²	52	13%	0.132	27%	0.268	C	S	.	.	S	Bend	trans	-82.1	126.5	-172.9	0	0	0	0	0	112.7	L309 V346 R352 A353 I393	L309-A350 HydrophobicContact CD2-CB 3.86Å; V346-A350 WeakPolarHBondContact O-CB 3.34Å; V346-A350 PolarHBondContact O-N 3.44Å; A350-R352 PolarHBondContact O-N 3.46Å; A350-A353 HydrophobicContact CB-CB 4.07Å; A350-I393 HydrophobicContact CB-CD1 3.97Å; A350-I393 HydrophobicContact CB-CG1 4.34Å
351	H	69.3	Low	82.1	Confident	100 Å²	100	51.1 Å²	51.1	46%	0.463	26%	0.263	S	S	.	.	S	Bend	trans	-59.2	-20.2	-176.1	54.9	-120	0	0	0	116	R578	H351-R578 WeakPolarHBondContact NE2-CD 3.43Å; H351-R578 PolarHBondContact NE2-NE 2.8Å; H351-R578 PolarHBondContact NE2-NH2 3.03Å; H351-R578 VanDerWaalsContact NE2-NH2 3.15Å
352	R	76.9	Confident	81.4	Confident	45 Å²	45	49.3 Å²	49.3	17%	0.17	26%	0.261	C	S	.	.	S	Bend	trans	-137.4	92.7	169	-77.7	177.7	75.5	144.5	-7	106.7	D223 S259 A350 L388 D390 G392 I393	D223-R352 IonicContact OD1-NH1 3.92Å; S259-R352 WeakPolarHBondContact OG-CD 3.4Å; S259-R352 PolarHBondContact OG-NH1 3.47Å; A350-R352 PolarHBondContact O-N 3.46Å; R352-L388 PolarHBondContact NH2-O 2.69Å; R352-D390 PolarHBondContact NE-O 3Å; R352-G392 CarbonylContact O-C 3.48Å; R352-G392 WeakPolarHBondContact O-CA 3.48Å; R352-I393 PolarHBondContact O-N 3.06Å
353	A	83	Confident	80.5	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.033	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.2	174.4	0	0	0	0	0	109.4	L347 A350 I393	L347-A353 HydrophobicContact CB-CB 4.42Å; L347-A353 HydrophobicContact CD2-CB 3.75Å; A350-A353 HydrophobicContact CB-CB 4.07Å; A353-I393 WeakPolarHBondContact CA-O 3.46Å
354	I	85	Confident	79.8	Confident	44 Å²	44	52.9 Å²	52.9	23%	0.226	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.7	173.9	-60.2	-172.8	0	0	0	109.6	T356 A385 L388 A389 I393 C395	I354-T356 HydrophobicContact CG2-CG2 4.41Å; I354-A385 HydrophobicContact CG2-CB 4.12Å; I354-L388 HydrophobicContact CD1-CB 3.45Å; I354-L388 VanDerWaalsContact CD1-CB 3.45Å; I354-L388 HydrophobicContact CD1-CD1 4.49Å; I354-A389 HydrophobicContact CD1-CB 4.02Å; I354-A389 HydrophobicContact CG1-CB 4.26Å; I354-I393 PolarHBondContact N-O 2.95Å; I354-I393 VanDerWaalsContact N-O 3.08Å; I354-C395 PolarHBondContact O-N 2.99Å
355	A	86.2	Confident	79.2	Confident	69 Å²	69	48.7 Å²	48.7	57%	0.57	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.7	175.4	0	0	0	0	0	110.8	L347	L347-A355 HydrophobicContact CD1-CB 3.73Å; L347-A355 HydrophobicContact CD2-CB 3.99Å
356	T	85.2	Confident	78.9	Confident	12 Å²	12	47.5 Å²	47.5	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.4	178.6	46.2	0	0	0	0	109.8	I354 S361 L366 A385 V394 C395 I396 D397	I354-T356 HydrophobicContact CG2-CG2 4.41Å; T356-S361 VanDerWaalsContact CB-OG 3.23Å; T356-S361 WeakPolarHBondContact CB-OG 3.19Å; T356-S361 WeakPolarHBondContact CG2-OG 3.23Å; T356-L366 HydrophobicContact CG2-CD2 4.3Å; T356-A385 HydrophobicContact CG2-CB 3.71Å; T356-V394 HydrophobicContact CG2-CG1 4.48Å; T356-C395 PolarHBondContact N-O 3.15Å; T356-C395 PolarHBondContact OG1-O 3.32Å; T356-I396 WeakPolarHBondContact O-CA 3.27Å; T356-I396 WeakPolarHBondContact OG1-CG1 3.41Å; T356-D397 PolarHBondContact O-N 3.5Å
357	T	86.6	Confident	78.4	Confident	69 Å²	69	48.1 Å²	48.1	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.4	177.9	58.4	0	0	0	0	109.1	R359 G360 S361 D397	T357-R359 PolarHBondContact O-N 3.45Å; T357-G360 PolarHBondContact O-N 3.49Å; T357-G360 VanDerWaalsContact O-N 3.08Å; T357-G360 PolarHBondContact OG1-N 2.9Å; T357-S361 PolarHBondContact N-OG 3.19Å; T357-S361 VanDerWaalsContact O-CB 3.28Å; T357-S361 WeakPolarHBondContact O-CB 3.45Å; T357-S361 PolarHBondContact O-N 2.82Å; T357-S361 PolarHBondContact O-OG 2.99Å; T357-D397 CarbonylContact C-O 3.57Å; T357-D397 WeakPolarHBondContact CA-O 3.48Å
358	G	78.1	Confident	78.2	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.3	-174.6	0	0	0	0	0	113.8	D397 M402	G358-D397 PolarHBondContact N-O 3.29Å; G358-M402 VanDerWaalsContact O-CA 3.28Å; G358-M402 WeakPolarHBondContact O-CA 3.35Å
359	R	80.9	Confident	78.3	Confident	215 Å²	215	41.5 Å²	41.5	81%	0.811	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-32.3	176.8	-169.1	176.8	-177.8	-174.8	1.1	114.8	T357	T357-R359 PolarHBondContact O-N 3.45Å
360	G	72.7	Confident	78.4	Confident	57 Å²	57	43 Å²	43	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-30.1	-179.6	0	0	0	0	0	113.3	T357 S362	T357-G360 PolarHBondContact O-N 3.49Å; T357-G360 VanDerWaalsContact O-N 3.08Å; T357-G360 PolarHBondContact OG1-N 2.9Å; G360-S362 PolarHBondContact O-N 3.33Å
361	S	69.8	Low	78.7	Confident	19 Å²	19	43.8 Å²	43.8	13%	0.133	26%	0.263	C	S	.	.			trans	-92.3	75.4	-174.5	-58.4	0	0	0	0	111.5	T356 T357 L366	T356-S361 VanDerWaalsContact CB-OG 3.23Å; T356-S361 WeakPolarHBondContact CB-OG 3.19Å; T356-S361 WeakPolarHBondContact CG2-OG 3.23Å; T357-S361 PolarHBondContact N-OG 3.19Å; T357-S361 VanDerWaalsContact O-CB 3.28Å; T357-S361 WeakPolarHBondContact O-CB 3.45Å; T357-S361 PolarHBondContact O-N 2.82Å; T357-S361 PolarHBondContact O-OG 2.99Å; S361-L366 WeakPolarHBondContact O-CD1 3.48Å; S361-L366 WeakPolarHBondContact O-CG 3.46Å
362	S	71.2	Confident	79.3	Confident	58 Å²	58	43.5 Å²	43.5	41%	0.406	27%	0.269	S	S	.	.			trans	-55.8	155	167.9	69.2	0	0	0	0	111.6	G360 V364 G365 L366	G360-S362 PolarHBondContact O-N 3.33Å; S362-V364 PolarHBondContact O-N 3.4Å; S362-V364 VanDerWaalsContact O-N 3.07Å; S362-G365 CarbonylContact O-C 3.6Å; S362-G365 WeakPolarHBondContact O-CA 3.37Å; S362-G365 PolarHBondContact O-N 3.17Å; S362-L366 PolarHBondContact O-N 3.45Å
363	G	71.1	Confident	79.2	Confident	9 Å²	9	44.4 Å²	44.4	9%	0.093	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-26.5	-177.1	0	0	0	0	0	113.7	T367 D406	G363-T367 PolarHBondContact O-N 2.99Å; G363-T367 PolarHBondContact O-OG1 2.85Å; G363-D406 WeakPolarHBondContact CA-OD1 3.3Å; G363-D406 VanDerWaalsContact N-CG 3.29Å; G363-D406 PolarHBondContact N-OD1 3.5Å
364	V	72.9	Confident	78.8	Confident	79 Å²	79	53 Å²	53	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-46.7	170.9	-179.8	0	0	0	0	111.1	S362 A368 A369	S362-V364 PolarHBondContact O-N 3.4Å; S362-V364 VanDerWaalsContact O-N 3.07Å; V364-A368 CarbonylContact O-C 3.57Å; V364-A369 HydrophobicContact CG1-CB 3.51Å
365	G	75	Confident	78.1	Confident	38 Å²	38	57.7 Å²	57.7	39%	0.392	34%	0.339	S	S	.	.	H	α-helix	trans	-78.2	-15.9	176.1	0	0	0	0	0	114.6	S362 G384 A385	S362-G365 CarbonylContact O-C 3.6Å; S362-G365 WeakPolarHBondContact O-CA 3.37Å; S362-G365 PolarHBondContact O-N 3.17Å; G365-G384 CarbonylContact O-C 3.53Å; G365-G384 WeakPolarHBondContact O-CA 3.33Å; G365-A385 PolarHBondContact O-N 3.08Å
366	L	79.1	Confident	77.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-83.4	-43.9	172.3	-74	169.4	0	0	0	112.7	T356 S361 S362 G384 A385 M386 M402 D406 I410	T356-L366 HydrophobicContact CG2-CD2 4.3Å; S361-L366 WeakPolarHBondContact O-CD1 3.48Å; S361-L366 WeakPolarHBondContact O-CG 3.46Å; S362-L366 PolarHBondContact O-N 3.45Å; L366-G384 CarbonylContact O-C 3.52Å; L366-G384 VanDerWaalsContact O-C 3.31Å; L366-A385 PolarHBondContact O-N 3.35Å; L366-M386 HydrophobicContact CB-CG 4.43Å; L366-M386 HydrophobicContact CB-SD 4.47Å; L366-M386 HydrophobicContact CD2-CG 4.35Å; L366-M386 WeakPolarHBondContact O-CB 3.39Å; L366-M386 WeakPolarHBondContact O-CG 3.48Å; L366-M386 PolarHBondContact O-N 3.08Å; L366-M402 HydrophobicContact CD1-CE 4.03Å; L366-M402 HydrophobicContact CD1-SD 4.31Å; L366-D406 HydrophobicContact CD1-CB 4.42Å; L366-I410 HydrophobicContact CD1-CD1 4.01Å; L366-I410 HydrophobicContact CD1-CG1 4.24Å
367	T	79.1	Confident	77	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.08	36%	0.358	C	S	.	.	S	Bend	trans	-97.8	-84.8	-172.2	59.4	0	0	0	0	112.4	G363 G384 V387 A409 V413 V419	G363-T367 PolarHBondContact O-N 2.99Å; G363-T367 PolarHBondContact O-OG1 2.85Å; T367-G384 VanDerWaalsContact O-CA 3.23Å; T367-G384 WeakPolarHBondContact O-CA 3.19Å; T367-G384 PolarHBondContact O-N 2.85Å; T367-V387 VanDerWaalsContact O-CG2 3.29Å; T367-V387 WeakPolarHBondContact O-CG2 3.34Å; T367-A409 HydrophobicContact CG2-CB 3.82Å; T367-V413 HydrophobicContact CG2-CG2 4.42Å; T367-V419 HydrophobicContact CG2-CG1 4.29Å; T367-V419 HydrophobicContact CG2-CG2 4.48Å
368	A	80	Confident	76.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.008	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	157.8	161.4	0	0	0	0	0	111.1	V364 E382 I421 L430	V364-A368 CarbonylContact O-C 3.57Å; A368-E382 CarbonylContact C-O 3.48Å; A368-E382 WeakPolarHBondContact CA-O 3.5Å; A368-E382 WeakPolarHBondContact CB-O 3.43Å; A368-I421 HydrophobicContact CB-CD1 3.51Å; A368-L430 HydrophobicContact CB-CD1 3.68Å
369	A	82.7	Confident	76.7	Confident	16 Å²	16	67.3 Å²	67.3	13%	0.132	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.1	173.9	0	0	0	0	0	111.2	V364 T371 L381 E382	V364-A369 HydrophobicContact CG1-CB 3.51Å; A369-T371 HydrophobicContact CB-CG2 4.18Å; A369-L381 WeakPolarHBondContact O-CA 3.38Å; A369-L381 WeakPolarHBondContact O-CD1 3.43Å; A369-E382 HydrophobicContact CB-CB 4.29Å; A369-E382 PolarHBondContact N-O 3.49Å; A369-E382 PolarHBondContact O-N 3.28Å
370	V	84.5	Confident	76.4	Confident	36 Å²	36	58.3 Å²	58.3	22%	0.218	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118	156.8	178.7	0	0	0	0	106.6	R379 S380 L381 K423 A424 I426	V370-R379 HydrophobicContact CG1-CB 4.11Å; V370-S380 WeakPolarHBondContact CA-O 3.14Å; V370-L381 HydrophobicContact CG2-CD1 3.91Å; V370-K423 HydrophobicContact CG2-CB 4.12Å; V370-A424 HydrophobicContact CG1-CB 4.12Å; V370-I426 HydrophobicContact CG1-CD1 3.73Å; V370-I426 HydrophobicContact CG1-CG1 4.41Å; V370-I426 HydrophobicContact CG2-CB 4.41Å; V370-I426 HydrophobicContact CG2-CD1 4.14Å
371	T	83.6	Confident	76.7	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.209	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.8	177.9	54.6	0	0	0	0	110.6	K123 A369 R379 S380 E382	K123-T371 PolarHBondContact NZ-OG1 2.73Å; A369-T371 HydrophobicContact CB-CG2 4.18Å; T371-R379 CarbonylContact O-C 3.53Å; T371-R379 WeakPolarHBondContact O-CA 3.43Å; T371-S380 PolarHBondContact N-O 2.72Å; T371-S380 PolarHBondContact O-N 3.43Å; T371-S380 PolarHBondContact O-OG 3.43Å; T371-S380 VanDerWaalsContact O-OG 3.1Å; T371-S380 PolarHBondContact OG1-OG 3.23Å; T371-E382 HydrophobicContact CG2-CB 4.41Å; T371-E382 WeakPolarHBondContact CG2-OE2 3.47Å
372	T	82.5	Confident	77.1	Confident	94 Å²	94	60.2 Å²	60.2	58%	0.577	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.8	165.6	45.9	0	0	0	0	109.4	E378 R379	T372-E378 CarbonylContact C-O 3.48Å; T372-E378 WeakPolarHBondContact CA-O 3.24Å; T372-R379 HydrophobicContact CG2-CG 3.91Å
373	D	74.4	Confident	77.5	Confident	64 Å²	64	58.1 Å²	58.1	34%	0.342	33%	0.329	S	S	.	.			trans	-68.4	145.4	164.9	172.8	44.3	0	0	0	110.3	E375 T376 G377 E378	D373-E375 PolarHBondContact OD1-N 3.01Å; D373-E375 PolarHBondContact OD2-N 3.32Å; D373-T376 WeakPolarHBondContact CB-OG1 3.38Å; D373-T376 WeakPolarHBondContact OD2-CB 3.29Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.4Å; D373-T376 PolarHBondContact OD2-N 2.9Å; D373-T376 PolarHBondContact OD2-OG1 3.18Å; D373-G377 VanDerWaalsContact O-CA 3.26Å; D373-G377 WeakPolarHBondContact O-CA 3.42Å; D373-G377 PolarHBondContact O-N 3.39Å; D373-E378 PolarHBondContact N-O 3.36Å
374	M	74.4	Confident	78	Confident	185 Å²	185	57.9 Å²	57.9	91%	0.911	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.8	-174.7	-66.5	-170.4	70.5	0	0	113.7
375	E	70.6	Confident	78.5	Confident	142 Å²	142	54.6 Å²	54.6	66%	0.664	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-45.4	179.3	-66.4	-170.6	147.3	0	0	112.1	R247 D373	R247-E375 IonicContact CZ-OE2 3.67Å; R247-E375 IonicContact NH1-OE1 3.67Å; R247-E375 PolarHBondContact NH1-OE1 3.19Å; R247-E375 IonicContact NH1-OE2 3.85Å; R247-E375 PolarHBondContact NH1-OE2 3.29Å; R247-E375 IonicContact NH2-OE2 2.71Å; D373-E375 PolarHBondContact OD1-N 3.01Å; D373-E375 PolarHBondContact OD2-N 3.32Å
376	T	71.9	Confident	79	Confident	83 Å²	83	52.8 Å²	52.8	51%	0.509	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-26.7	179.4	59.9	0	0	0	0	113.4	D373 E378	D373-T376 WeakPolarHBondContact CB-OG1 3.38Å; D373-T376 WeakPolarHBondContact OD2-CB 3.29Å; D373-T376 WeakPolarHBondContact OD2-CG2 3.4Å; D373-T376 PolarHBondContact OD2-N 2.9Å; D373-T376 PolarHBondContact OD2-OG1 3.18Å; T376-E378 PolarHBondContact O-N 3.23Å; T376-E378 PolarHBondContact OG1-N 3.03Å
377	G	76.3	Confident	79.3	Confident	51 Å²	51	53.7 Å²	53.7	53%	0.526	29%	0.294	S	S	.	.			trans	75.6	1.3	-168.5	0	0	0	0	0	114.3	D373	D373-G377 VanDerWaalsContact O-CA 3.26Å; D373-G377 WeakPolarHBondContact O-CA 3.42Å; D373-G377 PolarHBondContact O-N 3.39Å
378	E	77.9	Confident	79.5	Confident	69 Å²	69	55.1 Å²	55.1	32%	0.322	30%	0.301	S	S	.	.			trans	-73.1	150.8	-177.3	-68.8	-170.3	173.3	0	0	112.7	H128 T372 D373 T376 S380	H128-E378 IonicContact CE1-OE1 2.73Å; H128-E378 PolarHBondContact CE1-OE1 3.29Å; T372-E378 CarbonylContact C-O 3.48Å; T372-E378 WeakPolarHBondContact CA-O 3.24Å; D373-E378 PolarHBondContact N-O 3.36Å; T376-E378 PolarHBondContact O-N 3.23Å; T376-E378 PolarHBondContact OG1-N 3.03Å; E378-S380 PolarHBondContact O-N 2.89Å
379	R	80	Confident	79.6	Confident	150 Å²	150	55.1 Å²	55.1	57%	0.566	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	99	178.2	-66.5	178.7	-173	163.1	9.7	109.6	V370 T371 T372 A424 I426	V370-R379 HydrophobicContact CG1-CB 4.11Å; T371-R379 CarbonylContact O-C 3.53Å; T371-R379 WeakPolarHBondContact O-CA 3.43Å; T372-R379 HydrophobicContact CG2-CG 3.91Å; R379-A424 WeakPolarHBondContact CD-O 3.21Å; R379-A424 PolarHBondContact NH1-O 3.36Å; R379-I426 HydrophobicContact CB-CD1 4.02Å; R379-I426 WeakPolarHBondContact O-CD1 3.31Å
380	S	74.9	Confident	79.7	Confident	27 Å²	27	55.4 Å²	55.4	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	155.1	172.6	47.9	0	0	0	0	111.5	V370 T371 E378	V370-S380 WeakPolarHBondContact CA-O 3.14Å; T371-S380 PolarHBondContact N-O 2.72Å; T371-S380 PolarHBondContact O-N 3.43Å; T371-S380 PolarHBondContact O-OG 3.43Å; T371-S380 VanDerWaalsContact O-OG 3.1Å; T371-S380 PolarHBondContact OG1-OG 3.23Å; E378-S380 PolarHBondContact O-N 2.89Å
381	L	77.9	Confident	79.6	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.9	173.4	-168.4	75.3	0	0	0	108.4	A369 V370 A428 L430	A369-L381 WeakPolarHBondContact O-CA 3.38Å; A369-L381 WeakPolarHBondContact O-CD1 3.43Å; V370-L381 HydrophobicContact CG2-CD1 3.91Å; L381-A428 HydrophobicContact CD2-CB 3.92Å; L381-L430 HydrophobicContact CD2-CD1 4.05Å; L381-L430 HydrophobicContact CD2-CD2 3.86Å; L381-L430 HydrophobicContact CD2-CG 4.3Å
382	E	78.4	Confident	79.8	Confident	69 Å²	69	57.7 Å²	57.7	32%	0.322	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117	-178.4	-176.7	174.1	166.5	0	0	109.4	K123 A368 A369 T371	K123-E382 VanDerWaalsContact CE-OE2 3.23Å; K123-E382 WeakPolarHBondContact CE-OE2 3.36Å; K123-E382 IonicContact NZ-OE2 2.78Å; K123-E382 PolarHBondContact NZ-OE2 3.34Å; A368-E382 CarbonylContact C-O 3.48Å; A368-E382 WeakPolarHBondContact CA-O 3.5Å; A368-E382 WeakPolarHBondContact CB-O 3.43Å; A369-E382 HydrophobicContact CB-CB 4.29Å; A369-E382 PolarHBondContact N-O 3.49Å; A369-E382 PolarHBondContact O-N 3.28Å; T371-E382 HydrophobicContact CG2-CB 4.41Å; T371-E382 WeakPolarHBondContact CG2-OE2 3.47Å
383	A	80	Confident	80.2	Confident	15 Å²	15	53.2 Å²	53.2	12%	0.124	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128	-171.9	0	0	0	0	0	112.3	P221 V387 L388	P221-A383 HydrophobicContact CB-CB 4.36Å; A383-V387 HydrophobicContact CB-CB 4.24Å; A383-V387 HydrophobicContact CB-CG1 4.01Å; A383-L388 HydrophobicContact CB-CD2 3.67Å; A383-L388 HydrophobicContact CB-CG 4.45Å
384	G	82.5	Confident	80.9	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	26%	0.258	C	S	.	.			trans	-83.9	164.8	176.1	0	0	0	0	0	113	G365 L366 T367 M386 V387 L388	G365-G384 CarbonylContact O-C 3.53Å; G365-G384 WeakPolarHBondContact O-CA 3.33Å; L366-G384 CarbonylContact O-C 3.52Å; L366-G384 VanDerWaalsContact O-C 3.31Å; T367-G384 VanDerWaalsContact O-CA 3.23Å; T367-G384 WeakPolarHBondContact O-CA 3.19Å; T367-G384 PolarHBondContact O-N 2.85Å; G384-M386 PolarHBondContact O-N 3.06Å; G384-V387 WeakPolarHBondContact O-CA 3.48Å; G384-V387 WeakPolarHBondContact O-CB 3.3Å; G384-V387 PolarHBondContact O-N 3.47Å; G384-L388 WeakPolarHBondContact O-CG 3.08Å; G384-L388 PolarHBondContact O-N 2.97Å
385	A	83.3	Confident	81.7	Confident	10 Å²	10	41.5 Å²	41.5	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-49.4	-34.5	-169.9	0	0	0	0	0	115.4	I354 T356 G365 L366 A389	I354-A385 HydrophobicContact CG2-CB 4.12Å; T356-A385 HydrophobicContact CG2-CB 3.71Å; G365-A385 PolarHBondContact O-N 3.08Å; L366-A385 PolarHBondContact O-N 3.35Å; A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.13Å; A385-A389 PolarHBondContact O-N 2.82Å
386	M	85.5	Confident	82.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-73.8	-28	178.6	-56.5	-173	81.4	0	0	113	L366 G384 V394 I410 V413 V436	L366-M386 HydrophobicContact CB-CG 4.43Å; L366-M386 HydrophobicContact CB-SD 4.47Å; L366-M386 HydrophobicContact CD2-CG 4.35Å; L366-M386 WeakPolarHBondContact O-CB 3.39Å; L366-M386 WeakPolarHBondContact O-CG 3.48Å; L366-M386 PolarHBondContact O-N 3.08Å; G384-M386 PolarHBondContact O-N 3.06Å; M386-V394 HydrophobicContact CG-CG2 4.31Å; M386-I410 HydrophobicContact SD-CG1 4.04Å; M386-V413 HydrophobicContact CB-CG1 4.45Å; M386-V413 HydrophobicContact CE-CB 3.94Å; M386-V413 HydrophobicContact CE-CG1 3.61Å; M386-V413 HydrophobicContact SD-CB 4.27Å; M386-V413 HydrophobicContact SD-CG1 4.21Å; M386-V413 HydrophobicContact SD-CG2 4.28Å; M386-V436 HydrophobicContact CE-CG2 3.94Å
387	V	84.9	Confident	83.6	Confident	19 Å²	19	32.4 Å²	32.4	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-79.6	-43.3	174.3	179	0	0	0	0	110.1	T367 A383 G384 A389 D390 V419 L430 A432	T367-V387 VanDerWaalsContact O-CG2 3.29Å; T367-V387 WeakPolarHBondContact O-CG2 3.34Å; A383-V387 HydrophobicContact CB-CB 4.24Å; A383-V387 HydrophobicContact CB-CG1 4.01Å; G384-V387 WeakPolarHBondContact O-CA 3.48Å; G384-V387 WeakPolarHBondContact O-CB 3.3Å; G384-V387 PolarHBondContact O-N 3.47Å; V387-A389 PolarHBondContact O-N 3.48Å; V387-A389 VanDerWaalsContact O-N 3.13Å; V387-D390 PolarHBondContact O-N 2.96Å; V387-D390 VanDerWaalsContact O-N 3.13Å; V387-V419 HydrophobicContact CG2-CG2 3.89Å; V387-L430 HydrophobicContact CG1-CB 4.21Å; V387-L430 HydrophobicContact CG1-CD1 4.24Å; V387-L430 HydrophobicContact CG2-CB 3.98Å; V387-L430 HydrophobicContact CG2-CD1 3.87Å; V387-A432 HydrophobicContact CG2-CB 4.26Å
388	L	82.3	Confident	84.2	Confident	42 Å²	42	33.8 Å²	33.8	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-27.8	171.4	-51.9	177.2	0	0	0	111.4	R352 I354 A383 G384	R352-L388 PolarHBondContact NH2-O 2.69Å; I354-L388 HydrophobicContact CD1-CB 3.45Å; I354-L388 VanDerWaalsContact CD1-CB 3.45Å; I354-L388 HydrophobicContact CD1-CD1 4.49Å; A383-L388 HydrophobicContact CB-CD2 3.67Å; A383-L388 HydrophobicContact CB-CG 4.45Å; G384-L388 WeakPolarHBondContact O-CG 3.08Å; G384-L388 PolarHBondContact O-N 2.97Å
389	A	83.4	Confident	84.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	20.7	178.5	0	0	0	0	0	115.7	I354 A385 V387 R391 G392 V394 C434	I354-A389 HydrophobicContact CD1-CB 4.02Å; I354-A389 HydrophobicContact CG1-CB 4.26Å; A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.13Å; A385-A389 PolarHBondContact O-N 2.82Å; V387-A389 PolarHBondContact O-N 3.48Å; V387-A389 VanDerWaalsContact O-N 3.13Å; A389-R391 PolarHBondContact O-N 2.92Å; A389-G392 VanDerWaalsContact O-CA 3.3Å; A389-G392 WeakPolarHBondContact O-CA 3.25Å; A389-G392 PolarHBondContact O-N 2.83Å; A389-V394 HydrophobicContact CB-CG2 3.49Å; A389-V394 VanDerWaalsContact CB-CG2 3.49Å; A389-C434 HydrophobicContact CB-CB 4.21Å; A389-C434 WeakPolarHBondContact O-CB 3.3Å
390	D	84.4	Confident	84.9	Confident	23 Å²	23	24.7 Å²	24.7	12%	0.123	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.2	175.4	-172.4	64.4	0	0	0	112.2	R352 V387 G392 R433	R352-D390 PolarHBondContact NE-O 3Å; V387-D390 PolarHBondContact O-N 2.96Å; V387-D390 VanDerWaalsContact O-N 3.13Å; D390-G392 PolarHBondContact O-N 3.15Å; D390-R433 WeakPolarHBondContact OD1-CA 3.31Å; D390-R433 WeakPolarHBondContact OD1-CB 3.5Å; D390-R433 VanDerWaalsContact OD1-CG 3.26Å; D390-R433 WeakPolarHBondContact OD1-CG 3.18Å; D390-R433 IonicContact OD1-CZ 3.97Å; D390-R433 PolarHBondContact OD1-N 2.77Å; D390-R433 IonicContact OD1-NE 2.82Å; D390-R433 PolarHBondContact OD1-NE 2.87Å; D390-R433 IonicContact OD1-NH2 2.87Å; D390-R433 IonicContact OD2-CZ 2.81Å; D390-R433 IonicContact OD2-NE 2.96Å; D390-R433 PolarHBondContact OD2-NE 2.8Å; D390-R433 IonicContact OD2-NH2 2.77Å; D390-R433 PolarHBondContact OD2-NH2 3.44Å
391	R	83.4	Confident	85.4	Confident	115 Å²	115	29.1 Å²	29.1	43%	0.434	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	1	-167.8	-60.9	-177.6	171.4	179.4	2.2	115.9	E261 A389 R433 R578	E261-R391 IonicContact OE1-CZ 3.45Å; E261-R391 IonicContact OE1-NH1 3.56Å; E261-R391 PolarHBondContact OE1-NH1 3.44Å; A389-R391 PolarHBondContact O-N 2.92Å; R391-R433 VanDerWaalsContact CA-O 3.26Å; R391-R433 WeakPolarHBondContact CA-O 3.43Å; R391-R433 PolarHBondContact N-O 2.87Å; R391-R578 PolarHBondContact O-NH2 3.37Å
392	G	86.6	Confident	85.7	Confident	2 Å²	2	27.1 Å²	27.1	2%	0.021	13%	0.131	C	C	.	.	S	Bend	trans	-98.7	-161	-180	0	0	0	0	0	114.3	R352 A389 D390 S435	R352-G392 CarbonylContact O-C 3.48Å; R352-G392 WeakPolarHBondContact O-CA 3.48Å; A389-G392 VanDerWaalsContact O-CA 3.3Å; A389-G392 WeakPolarHBondContact O-CA 3.25Å; A389-G392 PolarHBondContact O-N 2.83Å; D390-G392 PolarHBondContact O-N 3.15Å; G392-S435 PolarHBondContact O-N 3.05Å
393	I	90.2	Very high	86	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.6	176.4	-52.8	-177.4	0	0	0	109.8	L308 L309 V346 A350 R352 A353 I354 S435 L437	L308-I393 HydrophobicContact CD2-CD1 4.45Å; L308-I393 HydrophobicContact CG-CD1 4.23Å; L309-I393 HydrophobicContact CD2-CD1 3.8Å; L309-I393 HydrophobicContact CG-CD1 4.43Å; V346-I393 HydrophobicContact CG1-CD1 3.92Å; V346-I393 HydrophobicContact CG1-CG2 4.13Å; A350-I393 HydrophobicContact CB-CD1 3.97Å; A350-I393 HydrophobicContact CB-CG1 4.34Å; R352-I393 PolarHBondContact O-N 3.06Å; A353-I393 WeakPolarHBondContact CA-O 3.46Å; I354-I393 PolarHBondContact N-O 2.95Å; I354-I393 VanDerWaalsContact N-O 3.08Å; I393-S435 CarbonylContact C-O 3.56Å; I393-S435 WeakPolarHBondContact CA-O 3.45Å; I393-L437 HydrophobicContact CG2-CB 4.09Å
394	V	90.7	Very high	86.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119	169.1	-178.1	0	0	0	0	108.3	T356 M386 A389 I396 C434 S435 L437	T356-V394 HydrophobicContact CG2-CG1 4.48Å; M386-V394 HydrophobicContact CG-CG2 4.31Å; A389-V394 HydrophobicContact CB-CG2 3.49Å; A389-V394 VanDerWaalsContact CB-CG2 3.49Å; V394-I396 HydrophobicContact CG1-CD1 4.45Å; V394-I396 HydrophobicContact CG1-CG1 3.87Å; V394-C434 HydrophobicContact CG2-CB 3.95Å; V394-S435 PolarHBondContact N-O 3.15Å; V394-L437 PolarHBondContact O-N 2.93Å
395	C	91.6	Very high	86.2	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.2	173.2	-64.4	0	0	0	0	109	L343 L347 I354 T356 L437	L343-C395 HydrophobicContact CD2-CB 4.33Å; L347-C395 HydrophobicContact CD2-CB 3.91Å; L347-C395 HydrophobicContact CG-CB 4.27Å; I354-C395 PolarHBondContact O-N 2.99Å; T356-C395 PolarHBondContact N-O 3.15Å; T356-C395 PolarHBondContact OG1-O 3.32Å; C395-L437 CarbonylContact C-O 3.57Å; C395-L437 WeakPolarHBondContact CA-O 3.3Å
396	I	90.5	Very high	86.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.8	178.3	-41.1	176.7	0	0	0	108.8	T356 V394 F399 M402 I410 V436 L437 A438 A439	T356-I396 WeakPolarHBondContact O-CA 3.27Å; T356-I396 WeakPolarHBondContact OG1-CG1 3.41Å; V394-I396 HydrophobicContact CG1-CD1 4.45Å; V394-I396 HydrophobicContact CG1-CG1 3.87Å; I396-F399 HydrophobicContact CB-CD2 4.49Å; I396-F399 HydrophobicContact CD1-CD2 3.99Å; I396-F399 HydrophobicContact CD1-CE2 4.25Å; I396-F399 HydrophobicContact CG2-CB 4.39Å; I396-F399 HydrophobicContact CG2-CD2 4.16Å; I396-M402 HydrophobicContact CD1-CE 4.45Å; I396-M402 HydrophobicContact CG2-CE 4.07Å; I396-I410 HydrophobicContact CD1-CD1 4.27Å; I396-V436 HydrophobicContact CD1-CG1 3.8Å; I396-V436 HydrophobicContact CG1-CG1 4.32Å; I396-L437 PolarHBondContact N-O 2.58Å; I396-A438 CarbonylContact O-C 3.58Å; I396-A438 WeakPolarHBondContact O-CA 3.29Å; I396-A439 PolarHBondContact O-N 3.08Å
397	D	90.2	Very high	86	Confident	34 Å²	34	38.4 Å²	38.4	18%	0.182	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	157.8	166.9	-146.5	-22.4	0	0	0	110.7	S340 L343 T356 T357 G358 F399	S340-D397 VanDerWaalsContact CB-OD2 3.29Å; S340-D397 WeakPolarHBondContact CB-OD2 3.35Å; S340-D397 PolarHBondContact OG-OD2 3.1Å; L343-D397 HydrophobicContact CD1-CB 3.58Å; T356-D397 PolarHBondContact O-N 3.5Å; T357-D397 CarbonylContact C-O 3.57Å; T357-D397 WeakPolarHBondContact CA-O 3.48Å; G358-D397 PolarHBondContact N-O 3.29Å; D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact O-N 2.7Å
398	E	88.6	Confident	85.9	Confident	81 Å²	81	41.7 Å²	41.7	38%	0.379	21%	0.21	S	C	.	.	S	Bend	trans	51.2	41	-175.7	-53.9	-166.5	138.4	0	0	114.8	D400 K401 A439	E398-D400 PolarHBondContact O-N 3.08Å; E398-D400 VanDerWaalsContact O-N 3.09Å; E398-K401 HydrophobicContact CB-CB 4.3Å; E398-K401 HydrophobicContact CB-CG 4.1Å; E398-K401 WeakPolarHBondContact O-CB 3.43Å; E398-K401 PolarHBondContact O-N 3.47Å; E398-A439 PolarHBondContact N-O 3.4Å
399	F	87.9	Confident	85.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.5	-177	-179	-95	0	0	0	113.4	I396 D397 K401 M402 I410 A438 A439 A440 L459 L463 F467	I396-F399 HydrophobicContact CB-CD2 4.49Å; I396-F399 HydrophobicContact CD1-CD2 3.99Å; I396-F399 HydrophobicContact CD1-CE2 4.25Å; I396-F399 HydrophobicContact CG2-CB 4.39Å; I396-F399 HydrophobicContact CG2-CD2 4.16Å; D397-F399 VanDerWaalsContact C-N 3.33Å; D397-F399 PolarHBondContact O-N 2.7Å; F399-K401 PolarHBondContact O-N 3.35Å; F399-M402 HydrophobicContact CD2-CE 3.88Å; F399-M402 HydrophobicContact CD2-SD 4.4Å; F399-M402 HydrophobicContact CE2-CE 4.04Å; F399-M402 HydrophobicContact CE2-SD 4.07Å; F399-M402 WeakPolarHBondContact O-CB 3.39Å; F399-M402 PolarHBondContact O-N 3.21Å; F399-I410 HydrophobicContact CE2-CD1 4.01Å; F399-A438 HydrophobicContact CB-CB 4.16Å; F399-A438 HydrophobicContact CD2-CB 4.24Å; F399-A438 HydrophobicContact CG-CB 4.13Å; F399-A439 WeakPolarHBondContact CB-O 3.2Å; F399-A439 PolarHBondContact N-O 2.82Å; F399-A440 HydrophobicContact CB-CB 4.27Å; F399-L459 HydrophobicContact CD1-CD1 4.16Å; F399-L459 HydrophobicContact CD1-CD2 4.35Å; F399-L459 HydrophobicContact CE1-CD1 3.91Å; F399-L459 HydrophobicContact CE1-CD2 4.04Å; F399-L463 HydrophobicContact CE1-CD1 4.38Å; F399-L463 HydrophobicContact CZ-CD1 4.39Å; F399-L463 HydrophobicContact CZ-CD2 4.32Å; F399-F467 HydrophobicContact CE1-CE2 4.18Å; F399-F467 HydrophobicContact CE1-CZ 4.27Å; F399-F467 HydrophobicContact CE2-CZ 4.42Å; F399-F467 HydrophobicContact CZ-CE2 4.17Å; F399-F467 HydrophobicContact CZ-CZ 4.04Å
400	D	86.5	Confident	85.9	Confident	27 Å²	27	40.9 Å²	40.9	14%	0.144	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.7	-22.8	173.4	60.3	-80.8	0	0	0	113.9	E398 R407 A440 N441	E398-D400 PolarHBondContact O-N 3.08Å; E398-D400 VanDerWaalsContact O-N 3.09Å; D400-R407 PolarHBondContact O-NH2 2.68Å; D400-A440 HydrophobicContact CB-CB 4.23Å; D400-A440 WeakPolarHBondContact OD1-CA 3.41Å; D400-N441 PolarHBondContact OD1-N 2.98Å
401	K	84.7	Confident	85.9	Confident	121 Å²	121	41.1 Å²	41.1	53%	0.526	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-86.7	-1.3	179.3	-59.8	-65.8	-178	-89.1	0	114.4	E398 F399	E398-K401 HydrophobicContact CB-CB 4.3Å; E398-K401 HydrophobicContact CB-CG 4.1Å; E398-K401 WeakPolarHBondContact O-CB 3.43Å; E398-K401 PolarHBondContact O-N 3.47Å; F399-K401 PolarHBondContact O-N 3.35Å
402	M	83.9	Confident	86	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.02	20%	0.199	C	C	.	.	S	Bend	trans	-73.5	140.3	178.7	-174.9	178.3	-64.1	0	0	112.7	G358 L366 I396 F399 D406 R407 I410	G358-M402 VanDerWaalsContact O-CA 3.28Å; G358-M402 WeakPolarHBondContact O-CA 3.35Å; L366-M402 HydrophobicContact CD1-CE 4.03Å; L366-M402 HydrophobicContact CD1-SD 4.31Å; I396-M402 HydrophobicContact CD1-CE 4.45Å; I396-M402 HydrophobicContact CG2-CE 4.07Å; F399-M402 HydrophobicContact CD2-CE 3.88Å; F399-M402 HydrophobicContact CD2-SD 4.4Å; F399-M402 HydrophobicContact CE2-CE 4.04Å; F399-M402 HydrophobicContact CE2-SD 4.07Å; F399-M402 WeakPolarHBondContact O-CB 3.39Å; F399-M402 PolarHBondContact O-N 3.21Å; M402-D406 HydrophobicContact CG-CB 3.67Å; M402-D406 HydrophobicContact SD-CB 3.98Å; M402-R407 HydrophobicContact CG-CG 4.21Å; M402-R407 VanDerWaalsContact O-CZ 3.3Å; M402-R407 PolarHBondContact O-NE 2.85Å; M402-R407 PolarHBondContact O-NH2 2.93Å; M402-R407 HydrophobicContact SD-CG 4.2Å; M402-I410 HydrophobicContact CE-CD1 3.73Å; M402-I410 HydrophobicContact SD-CD1 3.44Å; M402-I410 WeakPolarHBondContact SD-CD1 3.3Å
403	S	85.2	Confident	86.1	Confident	53 Å²	53	38 Å²	38	37%	0.371	20%	0.2	S	C	.	.			trans	-73.7	154.1	-179.8	90.2	0	0	0	0	112.7	I405 D406 R407	S403-I405 PolarHBondContact O-N 2.94Å; S403-D406 WeakPolarHBondContact CB-OD2 3.45Å; S403-D406 PolarHBondContact O-N 3.47Å; S403-D406 PolarHBondContact OG-OD2 2.92Å; S403-R407 WeakPolarHBondContact O-CG 3.46Å; S403-R407 PolarHBondContact O-N 3.17Å
404	D	83.6	Confident	85.9	Confident	95 Å²	95	38.1 Å²	38.1	51%	0.508	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-25.7	-177.5	-62.7	-53.3	0	0	0	113.6	D406 R407 T408	D404-D406 VanDerWaalsContact C-N 3.35Å; D404-R407 WeakPolarHBondContact OD1-CD 3.44Å; D404-R407 IonicContact OD1-CZ 3.48Å; D404-R407 IonicContact OD1-NE 2.68Å; D404-R407 IonicContact OD1-NH1 3.31Å; D404-R407 PolarHBondContact OD1-NH1 3Å; D404-T408 WeakPolarHBondContact O-CG2 3.44Å; D404-T408 PolarHBondContact O-N 2.79Å; D404-T408 VanDerWaalsContact O-N 3.13Å
405	I	82.7	Confident	85.4	Confident	133 Å²	133	41.9 Å²	41.9	68%	0.682	22%	0.218	S	C	*	.	H	α-helix	trans	-60.9	-48.3	171.8	-59.7	173.4	0	0	0	109.5	S403 T408 A409	S403-I405 PolarHBondContact O-N 2.94Å; I405-T408 PolarHBondContact O-N 2.89Å; I405-T408 PolarHBondContact O-OG1 3.27Å; I405-A409 PolarHBondContact O-N 3.37Å
406	D	83.1	Confident	85.1	Confident	21 Å²	21	45.6 Å²	45.6	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-36.8	-175.7	-44.9	-43.8	0	0	0	111	G363 L366 M402 S403 D404 T408 A409 I410	G363-D406 WeakPolarHBondContact CA-OD1 3.3Å; G363-D406 VanDerWaalsContact N-CG 3.29Å; G363-D406 PolarHBondContact N-OD1 3.5Å; L366-D406 HydrophobicContact CD1-CB 4.42Å; M402-D406 HydrophobicContact CG-CB 3.67Å; M402-D406 HydrophobicContact SD-CB 3.98Å; S403-D406 WeakPolarHBondContact CB-OD2 3.45Å; S403-D406 PolarHBondContact O-N 3.47Å; S403-D406 PolarHBondContact OG-OD2 2.92Å; D404-D406 VanDerWaalsContact C-N 3.35Å; D406-T408 VanDerWaalsContact C-N 3.32Å; D406-T408 PolarHBondContact O-N 2.96Å; D406-A409 WeakPolarHBondContact O-CB 3.41Å; D406-A409 PolarHBondContact O-N 3.33Å; D406-A409 VanDerWaalsContact O-N 3.08Å; D406-I410 PolarHBondContact O-N 3.25Å; D406-I410 VanDerWaalsContact O-N 3.11Å
407	R	81.4	Confident	84.8	Confident	32 Å²	32	45.8 Å²	45.8	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-42.7	171.2	-65.7	173.2	-170.4	-172	-12	111.8	D400 M402 S403 D404 A409 I410 H411 L463	D400-R407 PolarHBondContact O-NH2 2.68Å; M402-R407 HydrophobicContact CG-CG 4.21Å; M402-R407 VanDerWaalsContact O-CZ 3.3Å; M402-R407 PolarHBondContact O-NE 2.85Å; M402-R407 PolarHBondContact O-NH2 2.93Å; M402-R407 HydrophobicContact SD-CG 4.2Å; S403-R407 WeakPolarHBondContact O-CG 3.46Å; S403-R407 PolarHBondContact O-N 3.17Å; D404-R407 WeakPolarHBondContact OD1-CD 3.44Å; D404-R407 IonicContact OD1-CZ 3.48Å; D404-R407 IonicContact OD1-NE 2.68Å; D404-R407 IonicContact OD1-NH1 3.31Å; D404-R407 PolarHBondContact OD1-NH1 3Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.98Å; R407-I410 PolarHBondContact O-N 2.81Å; R407-H411 PolarHBondContact O-CD2 3.06Å; R407-H411 PolarHBondContact O-N 3.33Å; R407-L463 HydrophobicContact CB-CD1 4.4Å; R407-L463 HydrophobicContact CG-CD1 4.34Å
408	T	82.4	Confident	84.6	Confident	89 Å²	89	49.5 Å²	49.5	55%	0.546	25%	0.249	S	C	.	.	H	α-helix	trans	-66.4	-28.7	175.9	65	0	0	0	0	113.7	D404 I405 D406 H411	D404-T408 WeakPolarHBondContact O-CG2 3.44Å; D404-T408 PolarHBondContact O-N 2.79Å; D404-T408 VanDerWaalsContact O-N 3.13Å; I405-T408 PolarHBondContact O-N 2.89Å; I405-T408 PolarHBondContact O-OG1 3.27Å; D406-T408 VanDerWaalsContact C-N 3.32Å; D406-T408 PolarHBondContact O-N 2.96Å; T408-H411 WeakPolarHBondContact O-CB 3.38Å; T408-H411 PolarHBondContact O-N 2.76Å
409	A	82.1	Confident	84.5	Confident	26 Å²	26	45.8 Å²	45.8	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-41.3	175.4	0	0	0	0	0	111.4	T367 I405 D406 R407 H411 E412	T367-A409 HydrophobicContact CG2-CB 3.82Å; I405-A409 PolarHBondContact O-N 3.37Å; D406-A409 WeakPolarHBondContact O-CB 3.41Å; D406-A409 PolarHBondContact O-N 3.33Å; D406-A409 VanDerWaalsContact O-N 3.08Å; R407-A409 VanDerWaalsContact C-N 3.3Å; R407-A409 PolarHBondContact O-N 2.98Å; A409-H411 VanDerWaalsContact C-N 3.27Å; A409-H411 PolarHBondContact O-N 2.88Å; A409-E412 PolarHBondContact O-N 3.38Å
410	I	85	Confident	84.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-32.2	175.4	-69.1	-177.4	0	0	0	112.1	L366 M386 I396 F399 M402 D406 R407 E412 V413 M414	L366-I410 HydrophobicContact CD1-CD1 4.01Å; L366-I410 HydrophobicContact CD1-CG1 4.24Å; M386-I410 HydrophobicContact SD-CG1 4.04Å; I396-I410 HydrophobicContact CD1-CD1 4.27Å; F399-I410 HydrophobicContact CE2-CD1 4.01Å; M402-I410 HydrophobicContact CE-CD1 3.73Å; M402-I410 HydrophobicContact SD-CD1 3.44Å; M402-I410 WeakPolarHBondContact SD-CD1 3.3Å; D406-I410 PolarHBondContact O-N 3.25Å; D406-I410 VanDerWaalsContact O-N 3.11Å; R407-I410 PolarHBondContact O-N 2.81Å; I410-E412 VanDerWaalsContact C-N 3.28Å; I410-E412 PolarHBondContact O-N 3.45Å; I410-V413 PolarHBondContact O-N 2.98Å; I410-M414 HydrophobicContact CG2-CG 3.65Å; I410-M414 HydrophobicContact CG2-SD 3.32Å; I410-M414 WeakPolarHBondContact CG2-SD 3.49Å; I410-M414 PolarHBondContact O-N 3.04Å
411	H	84.5	Confident	84.3	Confident	28 Å²	28	47.5 Å²	47.5	13%	0.13	24%	0.243	C	C	.	.	H	α-helix	trans	-55.8	-37	177.9	-70.8	175.8	0	0	0	114	R407 T408 A409 E415 L463 R466	R407-H411 PolarHBondContact O-CD2 3.06Å; R407-H411 PolarHBondContact O-N 3.33Å; T408-H411 WeakPolarHBondContact O-CB 3.38Å; T408-H411 PolarHBondContact O-N 2.76Å; A409-H411 VanDerWaalsContact C-N 3.27Å; A409-H411 PolarHBondContact O-N 2.88Å; H411-E415 WeakPolarHBondContact O-CB 3.42Å; H411-L463 VanDerWaalsContact CD2-CD2 3.47Å; H411-L463 WeakPolarHBondContact CD2-CD2 3.38Å; H411-L463 VanDerWaalsContact NE2-CD2 3.32Å; H411-L463 WeakPolarHBondContact NE2-CD2 3.25Å; H411-L463 WeakPolarHBondContact NE2-CG 2.99Å; H411-R466 PolarHBondContact CD2-NH1 3.34Å; H411-R466 VanDerWaalsContact CD2-NH1 3.25Å; H411-R466 VanDerWaalsContact CG-NH1 3.27Å; H411-R466 PolarHBondContact O-NE 3.03Å; H411-R466 PolarHBondContact O-NH2 3.34Å
412	E	85.3	Confident	84.2	Confident	45 Å²	45	45.9 Å²	45.9	21%	0.21	25%	0.246	C	C	.	.	H	α-helix	trans	-71.2	-45.4	178.8	-167.8	-175.5	168.3	0	0	110.7	A409 I410 E415 Q416 T420	A409-E412 PolarHBondContact O-N 3.38Å; I410-E412 VanDerWaalsContact C-N 3.28Å; I410-E412 PolarHBondContact O-N 3.45Å; E412-E415 PolarHBondContact O-N 3.13Å; E412-Q416 WeakPolarHBondContact O-CB 3.38Å; E412-Q416 PolarHBondContact O-N 3.37Å; E412-T420 VanDerWaalsContact OE1-CB 3.29Å; E412-T420 WeakPolarHBondContact OE1-CB 3.39Å; E412-T420 WeakPolarHBondContact OE1-CG2 3.32Å; E412-T420 PolarHBondContact OE1-N 2.9Å; E412-T420 PolarHBondContact OE1-OG1 3.36Å
413	V	87.4	Confident	84.2	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-48.9	-175.4	-173.6	0	0	0	0	111.8	T367 M386 I410 E415 G417 V419 A432	T367-V413 HydrophobicContact CG2-CG2 4.42Å; M386-V413 HydrophobicContact CB-CG1 4.45Å; M386-V413 HydrophobicContact CE-CB 3.94Å; M386-V413 HydrophobicContact CE-CG1 3.61Å; M386-V413 HydrophobicContact SD-CB 4.27Å; M386-V413 HydrophobicContact SD-CG1 4.21Å; M386-V413 HydrophobicContact SD-CG2 4.28Å; I410-V413 PolarHBondContact O-N 2.98Å; V413-E415 PolarHBondContact O-N 3.09Å; V413-G417 VanDerWaalsContact O-CA 3.29Å; V413-G417 WeakPolarHBondContact O-CA 3.44Å; V413-G417 PolarHBondContact O-N 2.73Å; V413-V419 HydrophobicContact CG2-CG2 3.73Å; V413-A432 HydrophobicContact CG1-CB 3.63Å; V413-A432 WeakPolarHBondContact CG1-O 3.5Å
414	M	87	Confident	84	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-23.5	178.3	-72.1	179.1	80.6	0	0	113.2	R324 N328 I410 V436 R466 F467	R324-M414 WeakPolarHBondContact CD-O 3.48Å; R324-M414 PolarHBondContact NH1-O 3.07Å; N328-M414 HydrophobicContact CB-CE 4.04Å; N328-M414 WeakPolarHBondContact ND2-CE 3.39Å; I410-M414 HydrophobicContact CG2-CG 3.65Å; I410-M414 HydrophobicContact CG2-SD 3.32Å; I410-M414 WeakPolarHBondContact CG2-SD 3.49Å; I410-M414 PolarHBondContact O-N 3.04Å; M414-V436 HydrophobicContact CG-CG2 4.3Å; M414-R466 HydrophobicContact CE-CB 3.81Å; M414-R466 WeakPolarHBondContact CE-O 3.35Å; M414-R466 HydrophobicContact SD-CB 4.37Å; M414-F467 HydrophobicContact CE-CD1 3.72Å; M414-F467 HydrophobicContact CE-CD2 3.98Å; M414-F467 HydrophobicContact CE-CE1 3.59Å; M414-F467 HydrophobicContact CE-CE2 3.85Å; M414-F467 HydrophobicContact CE-CG 3.91Å; M414-F467 HydrophobicContact CE-CZ 3.66Å; M414-F467 HydrophobicContact SD-CZ 4.26Å
415	E	81	Confident	83.8	Confident	78 Å²	78	50.9 Å²	50.9	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-92.5	-50.8	-178.9	-155.2	62.8	-153.2	0	0	112.4	H411 E412 V413 R466 R628	H411-E415 WeakPolarHBondContact O-CB 3.42Å; E412-E415 PolarHBondContact O-N 3.13Å; V413-E415 PolarHBondContact O-N 3.09Å; E415-R466 WeakPolarHBondContact OE2-CD 3.48Å; E415-R466 WeakPolarHBondContact OE2-CG 3.15Å; E415-R466 IonicContact OE2-CZ 2.76Å; E415-R466 IonicContact OE2-NE 3.4Å; E415-R466 PolarHBondContact OE2-NE 3.4Å; E415-R628 VanDerWaalsContact CD-NH1 3.26Å; E415-R628 IonicContact OE1-CZ 3.47Å; E415-R628 IonicContact OE1-NH1 3.81Å; E415-R628 PolarHBondContact OE1-NH1 3.27Å; E415-R628 IonicContact OE1-NH2 3.76Å; E415-R628 IonicContact OE2-CZ 3.5Å; E415-R628 IonicContact OE2-NH1 2.97Å; E415-R628 PolarHBondContact OE2-NH1 3.27Å; E415-R628 IonicContact OE2-NH2 3.84Å; E415-R628 PolarHBondContact OE2-NH2 2.89Å
416	Q	83.7	Confident	83.7	Confident	81 Å²	81	46.6 Å²	46.6	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-98.9	-16.6	-169.9	-51.3	-173.8	34.7	0	0	113.2	R322 E412 R418	R322-Q416 PolarHBondContact NH1-O 3.24Å; E412-Q416 WeakPolarHBondContact O-CB 3.38Å; E412-Q416 PolarHBondContact O-N 3.37Å; Q416-R418 HydrophobicContact CB-CG 3.68Å; Q416-R418 PolarHBondContact O-N 3.06Å
417	G	84.3	Confident	83.9	Confident	4 Å²	4	53.1 Å²	53.1	4%	0.041	30%	0.299	C	S	.	.	S	Bend	trans	65.4	25	-172.1	0	0	0	0	0	113.9	V413 A432	V413-G417 VanDerWaalsContact O-CA 3.29Å; V413-G417 WeakPolarHBondContact O-CA 3.44Å; V413-G417 PolarHBondContact O-N 2.73Å; G417-A432 CarbonylContact C-O 3.54Å; G417-A432 CarbonylContact O-C 3.6Å; G417-A432 PolarHBondContact O-N 2.86Å
418	R	87.2	Confident	83.9	Confident	112 Å²	112	52.4 Å²	52.4	42%	0.423	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.1	-179.6	63.6	-179.2	-177.3	-158.1	-2.1	110.1	Q416 L430	Q416-R418 HydrophobicContact CB-CG 3.68Å; Q416-R418 PolarHBondContact O-N 3.06Å; R418-L430 CarbonylContact C-O 3.02Å; R418-L430 WeakPolarHBondContact CA-O 3.48Å; R418-L430 VanDerWaalsContact CB-O 3.3Å; R418-L430 WeakPolarHBondContact CB-O 3.26Å
419	V	86.4	Confident	84.1	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.1	168.5	-168.1	0	0	0	0	108	T367 V387 V413 I421 K429 L430 A432	T367-V419 HydrophobicContact CG2-CG1 4.29Å; T367-V419 HydrophobicContact CG2-CG2 4.48Å; V387-V419 HydrophobicContact CG2-CG2 3.89Å; V413-V419 HydrophobicContact CG2-CG2 3.73Å; V419-I421 HydrophobicContact CG1-CD1 3.95Å; V419-I421 HydrophobicContact CG1-CG1 3.66Å; V419-K429 CarbonylContact O-C 3.46Å; V419-K429 WeakPolarHBondContact O-CA 3.43Å; V419-L430 HydrophobicContact CB-CB 4.31Å; V419-L430 PolarHBondContact N-O 2.88Å; V419-L430 PolarHBondContact O-N 2.92Å; V419-A432 HydrophobicContact CG2-CB 4.06Å
420	T	85.4	Confident	84.2	Confident	56 Å²	56	55.9 Å²	55.9	34%	0.344	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.5	166.4	65.6	0	0	0	0	110.7	E412 K429	E412-T420 VanDerWaalsContact OE1-CB 3.29Å; E412-T420 WeakPolarHBondContact OE1-CB 3.39Å; E412-T420 WeakPolarHBondContact OE1-CG2 3.32Å; E412-T420 PolarHBondContact OE1-N 2.9Å; E412-T420 PolarHBondContact OE1-OG1 3.36Å; T420-K429 HydrophobicContact CG2-CD 4.39Å; T420-K429 HydrophobicContact CG2-CG 3.99Å
421	I	83.9	Confident	84.2	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.3	-174.8	-60	-176	0	0	0	109	A368 V419 K423 Q427 A428 L430	A368-I421 HydrophobicContact CB-CD1 3.51Å; V419-I421 HydrophobicContact CG1-CD1 3.95Å; V419-I421 HydrophobicContact CG1-CG1 3.66Å; I421-K423 HydrophobicContact CG2-CB 4.05Å; I421-K423 HydrophobicContact CG2-CD 4.22Å; I421-K423 HydrophobicContact CG2-CG 4.08Å; I421-Q427 CarbonylContact O-C 3.46Å; I421-Q427 VanDerWaalsContact O-CA 3.28Å; I421-Q427 WeakPolarHBondContact O-CA 3.13Å; I421-A428 PolarHBondContact N-O 2.89Å; I421-A428 PolarHBondContact O-N 2.95Å; I421-L430 HydrophobicContact CD1-CD1 4.25Å
422	S	83.7	Confident	84.3	Confident	86 Å²	86	59.3 Å²	59.3	60%	0.601	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	80.5	172.9	-58.8	0	0	0	0	108.4	I426	S422-I426 CarbonylContact C-O 3.52Å; S422-I426 WeakPolarHBondContact CA-O 3.45Å
423	K	82.5	Confident	84.4	Confident	116 Å²	116	59.4 Å²	59.4	50%	0.504	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.3	-174.9	-71.2	-176.5	-178.9	172.9	0	111.1	V370 I421 G425 I426	V370-K423 HydrophobicContact CG2-CB 4.12Å; I421-K423 HydrophobicContact CG2-CB 4.05Å; I421-K423 HydrophobicContact CG2-CD 4.22Å; I421-K423 HydrophobicContact CG2-CG 4.08Å; K423-G425 PolarHBondContact O-N 3.35Å; K423-I426 PolarHBondContact N-O 3.28Å; K423-I426 PolarHBondContact O-N 2.85Å
424	A	81.6	Confident	84.4	Confident	58 Å²	58	59.6 Å²	59.6	48%	0.479	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	33.4	174.6	0	0	0	0	0	115.4	V370 R379 I426	V370-A424 HydrophobicContact CG1-CB 4.12Å; R379-A424 WeakPolarHBondContact CD-O 3.21Å; R379-A424 PolarHBondContact NH1-O 3.36Å; A424-I426 VanDerWaalsContact C-N 3.33Å
425	G	79.9	Confident	84.6	Confident	83 Å²	83	59.7 Å²	59.7	86%	0.856	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-8.8	-178.6	0	0	0	0	0	115.2	K423	K423-G425 PolarHBondContact O-N 3.35Å
426	I	80.7	Confident	85.1	Confident	43 Å²	43	56 Å²	56	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.8	171.3	-55.6	-175.3	0	0	0	108.7	V370 R379 S422 K423 A424 A428	V370-I426 HydrophobicContact CG1-CD1 3.73Å; V370-I426 HydrophobicContact CG1-CG1 4.41Å; V370-I426 HydrophobicContact CG2-CB 4.41Å; V370-I426 HydrophobicContact CG2-CD1 4.14Å; R379-I426 HydrophobicContact CB-CD1 4.02Å; R379-I426 WeakPolarHBondContact O-CD1 3.31Å; S422-I426 CarbonylContact C-O 3.52Å; S422-I426 WeakPolarHBondContact CA-O 3.45Å; K423-I426 PolarHBondContact N-O 3.28Å; K423-I426 PolarHBondContact O-N 2.85Å; A424-I426 VanDerWaalsContact C-N 3.33Å; I426-A428 HydrophobicContact CG2-CB 4.07Å
427	Q	86.3	Confident	85.5	Confident	159 Å²	159	52.2 Å²	52.2	74%	0.743	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	95.4	167.8	-172.3	173.3	23.9	0	0	109.7	I421	I421-Q427 CarbonylContact O-C 3.46Å; I421-Q427 VanDerWaalsContact O-CA 3.28Å; I421-Q427 WeakPolarHBondContact O-CA 3.13Å
428	A	82.8	Confident	85.9	Confident	17 Å²	17	52 Å²	52	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	154.7	-177.1	0	0	0	0	0	112.1	L381 I421 I426	L381-A428 HydrophobicContact CD2-CB 3.92Å; I421-A428 PolarHBondContact N-O 2.89Å; I421-A428 PolarHBondContact O-N 2.95Å; I426-A428 HydrophobicContact CG2-CB 4.07Å
429	K	86.3	Confident	86.1	Confident	154 Å²	154	46.7 Å²	46.7	67%	0.67	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.5	170.6	-59.7	-175.4	178.8	166.8	0	108.2	V419 T420	V419-K429 CarbonylContact O-C 3.46Å; V419-K429 WeakPolarHBondContact O-CA 3.43Å; T420-K429 HydrophobicContact CG2-CD 4.39Å; T420-K429 HydrophobicContact CG2-CG 3.99Å
430	L	84.4	Confident	86.3	Confident	34 Å²	34	46.6 Å²	46.6	18%	0.178	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.3	-178.7	-58.2	176.1	0	0	0	109.8	A368 L381 V387 R418 V419 I421	A368-L430 HydrophobicContact CB-CD1 3.68Å; L381-L430 HydrophobicContact CD2-CD1 4.05Å; L381-L430 HydrophobicContact CD2-CD2 3.86Å; L381-L430 HydrophobicContact CD2-CG 4.3Å; V387-L430 HydrophobicContact CG1-CB 4.21Å; V387-L430 HydrophobicContact CG1-CD1 4.24Å; V387-L430 HydrophobicContact CG2-CB 3.98Å; V387-L430 HydrophobicContact CG2-CD1 3.87Å; R418-L430 CarbonylContact C-O 3.02Å; R418-L430 WeakPolarHBondContact CA-O 3.48Å; R418-L430 VanDerWaalsContact CB-O 3.3Å; R418-L430 WeakPolarHBondContact CB-O 3.26Å; V419-L430 HydrophobicContact CB-CB 4.31Å; V419-L430 PolarHBondContact N-O 2.88Å; V419-L430 PolarHBondContact O-N 2.92Å; I421-L430 HydrophobicContact CD1-CD1 4.25Å
431	N	84.9	Confident	86.5	Confident	98 Å²	98	45.8 Å²	45.8	52%	0.524	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.8	169.8	-64.3	-50.6	0	0	0	109.1
432	A	85.6	Confident	86.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.26	C	S	.	.			trans	-146.1	63.6	-179.9	0	0	0	0	0	108.4	V387 V413 G417 V419 C434	V387-A432 HydrophobicContact CG2-CB 4.26Å; V413-A432 HydrophobicContact CG1-CB 3.63Å; V413-A432 WeakPolarHBondContact CG1-O 3.5Å; G417-A432 CarbonylContact C-O 3.54Å; G417-A432 CarbonylContact O-C 3.6Å; G417-A432 PolarHBondContact O-N 2.86Å; V419-A432 HydrophobicContact CG2-CB 4.06Å; A432-C434 PolarHBondContact O-N 2.83Å; A432-C434 VanDerWaalsContact O-N 3.09Å
433	R	87.4	Confident	86.8	Confident	47 Å²	47	45.9 Å²	45.9	18%	0.177	26%	0.258	C	S	.	.			trans	-87.3	60.8	-175.8	-52.4	170.4	-72.8	-167	-5	109.4	D390 R391	D390-R433 WeakPolarHBondContact OD1-CA 3.31Å; D390-R433 WeakPolarHBondContact OD1-CB 3.5Å; D390-R433 VanDerWaalsContact OD1-CG 3.26Å; D390-R433 WeakPolarHBondContact OD1-CG 3.18Å; D390-R433 IonicContact OD1-CZ 3.97Å; D390-R433 PolarHBondContact OD1-N 2.77Å; D390-R433 IonicContact OD1-NE 2.82Å; D390-R433 PolarHBondContact OD1-NE 2.87Å; D390-R433 IonicContact OD1-NH2 2.87Å; D390-R433 IonicContact OD2-CZ 2.81Å; D390-R433 IonicContact OD2-NE 2.96Å; D390-R433 PolarHBondContact OD2-NE 2.8Å; D390-R433 IonicContact OD2-NH2 2.77Å; D390-R433 PolarHBondContact OD2-NH2 3.44Å; R391-R433 VanDerWaalsContact CA-O 3.26Å; R391-R433 WeakPolarHBondContact CA-O 3.43Å; R391-R433 PolarHBondContact N-O 2.87Å
434	C	88.3	Confident	86.8	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.061	26%	0.257	C	S	.	.			trans	-105.1	138.2	-176.5	60.1	0	0	0	0	111.3	A389 V394 A432	A389-C434 HydrophobicContact CB-CB 4.21Å; A389-C434 WeakPolarHBondContact O-CB 3.3Å; V394-C434 HydrophobicContact CG2-CB 3.95Å; A432-C434 PolarHBondContact O-N 2.83Å; A432-C434 VanDerWaalsContact O-N 3.09Å
435	S	90.2	Very high	86.8	Confident	7 Å²	7	45.2 Å²	45.2	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.7	163	-60.8	0	0	0	0	109.3	I327 G392 I393 V394	I327-S435 WeakPolarHBondContact O-CB 3.46Å; G392-S435 PolarHBondContact O-N 3.05Å; I393-S435 CarbonylContact C-O 3.56Å; I393-S435 WeakPolarHBondContact CA-O 3.45Å; V394-S435 PolarHBondContact N-O 3.15Å
436	V	91.6	Very high	86.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124	177.9	-177.3	0	0	0	0	110.1	N328 L329 M386 I396 M414 A438 F467	N328-V436 WeakPolarHBondContact CA-O 3.37Å; N328-V436 HydrophobicContact CB-CB 4.46Å; N328-V436 PolarHBondContact OD1-N 3.38Å; L329-V436 PolarHBondContact N-O 3.06Å; M386-V436 HydrophobicContact CE-CG2 3.94Å; I396-V436 HydrophobicContact CD1-CG1 3.8Å; I396-V436 HydrophobicContact CG1-CG1 4.32Å; M414-V436 HydrophobicContact CG-CG2 4.3Å; V436-A438 HydrophobicContact CG1-CB 4.5Å; V436-F467 HydrophobicContact CG1-CE1 4.22Å
437	L	93.1	Very high	86.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106.6	169.1	178.6	60	0	0	0	108.6	L308 L329 L331 L343 V346 I393 V394 C395 I396	L308-L437 HydrophobicContact CD2-CB 4.02Å; L308-L437 HydrophobicContact CD2-CD1 4.07Å; L308-L437 HydrophobicContact CD2-CD2 4.09Å; L308-L437 HydrophobicContact CD2-CG 4.28Å; L329-L437 HydrophobicContact CB-CD1 4.02Å; L329-L437 HydrophobicContact CD1-CD1 4.41Å; L329-L437 HydrophobicContact CD2-CD1 3.81Å; L329-L437 HydrophobicContact CG-CD1 4.29Å; L329-L437 WeakPolarHBondContact O-CA 3.49Å; L331-L437 HydrophobicContact CD1-CD1 4.43Å; L343-L437 HydrophobicContact CD2-CD1 4.49Å; L343-L437 HydrophobicContact CD2-CD2 3.71Å; L343-L437 HydrophobicContact CD2-CG 3.59Å; V346-L437 HydrophobicContact CB-CD2 3.89Å; V346-L437 HydrophobicContact CG1-CD2 3.92Å; V346-L437 HydrophobicContact CG2-CD2 3.77Å; I393-L437 HydrophobicContact CG2-CB 4.09Å; V394-L437 PolarHBondContact O-N 2.93Å; C395-L437 CarbonylContact C-O 3.57Å; C395-L437 WeakPolarHBondContact CA-O 3.3Å; I396-L437 PolarHBondContact N-O 2.58Å
438	A	91.7	Very high	86.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140	-178.8	0	0	0	0	0	111.1	L329 L330 L331 I396 F399 V436 F467	L329-A438 PolarHBondContact O-N 2.85Å; L330-A438 CarbonylContact C-O 3.53Å; L330-A438 WeakPolarHBondContact CA-O 3.26Å; L330-A438 HydrophobicContact CD1-CB 3.69Å; L331-A438 PolarHBondContact N-O 2.88Å; I396-A438 CarbonylContact O-C 3.58Å; I396-A438 WeakPolarHBondContact O-CA 3.29Å; F399-A438 HydrophobicContact CB-CB 4.16Å; F399-A438 HydrophobicContact CD2-CB 4.24Å; F399-A438 HydrophobicContact CG-CB 4.13Å; V436-A438 HydrophobicContact CG1-CB 4.5Å; A438-F467 HydrophobicContact CB-CE1 4Å; A438-F467 HydrophobicContact CB-CZ 4.14Å
439	A	92	Very high	86.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.1	164	0	0	0	0	0	109.8	L331 K339 L343 I396 E398 F399	L331-A439 HydrophobicContact CB-CB 4.46Å; L331-A439 WeakPolarHBondContact O-CA 3.33Å; K339-A439 HydrophobicContact CB-CB 4.23Å; L343-A439 HydrophobicContact CD1-CB 3.91Å; L343-A439 HydrophobicContact CD2-CB 4.49Å; L343-A439 HydrophobicContact CG-CB 4.36Å; I396-A439 PolarHBondContact O-N 3.08Å; E398-A439 PolarHBondContact N-O 3.4Å; F399-A439 WeakPolarHBondContact CB-O 3.2Å; F399-A439 PolarHBondContact N-O 2.82Å
440	A	90.4	Very high	86.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.7	178.4	0	0	0	0	0	111.2	L330 L331 M332 G333 K339 F399 D400	L330-A440 HydrophobicContact CD1-CB 4.2Å; L331-A440 PolarHBondContact O-N 3.28Å; M332-A440 HydrophobicContact CE-CB 4.4Å; M332-A440 HydrophobicContact SD-CB 3.5Å; M332-A440 VanDerWaalsContact SD-CB 3.5Å; G333-A440 PolarHBondContact N-O 3.12Å; K339-A440 PolarHBondContact NZ-O 3.06Å; F399-A440 HydrophobicContact CB-CB 4.27Å; D400-A440 HydrophobicContact CB-CB 4.23Å; D400-A440 WeakPolarHBondContact OD1-CA 3.41Å
441	N	88.8	Confident	85.7	Confident	39 Å²	39	50.1 Å²	50.1	21%	0.209	24%	0.241	C	C	.	.			trans	-106.5	147.1	178.5	-58.6	-48.6	0	0	0	109.8	K339 D400	K339-N441 PolarHBondContact NZ-OD1 3.16Å; D400-N441 PolarHBondContact OD1-N 2.98Å
442	P	88.2	Confident	85.2	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.026	23%	0.228	C	C	.	.			trans	-63.7	149.2	176.9	28.2	-36.3	0	0	0	110.7	G333 Y444 G445 N456	G333-P442 WeakPolarHBondContact O-CD 3.5Å; P442-Y444 PolarHBondContact O-N 2.92Å; P442-Y444 VanDerWaalsContact O-N 3.08Å; P442-G445 PolarHBondContact O-N 2.68Å; P442-N456 WeakPolarHBondContact CA-O 3.29Å
443	V	85.6	Confident	84.6	Confident	91 Å²	91	47.8 Å²	47.8	55%	0.552	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.1	-174.5	-178.5	0	0	0	0	112.4	N456	V443-N456 PolarHBondContact N-O 2.82Å; V443-N456 VanDerWaalsContact N-O 3.1Å
444	Y	83.6	Confident	84	Confident	123 Å²	123	49.9 Å²	49.9	48%	0.482	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	9.9	-178.8	-52.6	-73.5	0	0	0	114.2	P442 K446 K451	P442-Y444 PolarHBondContact O-N 2.92Å; P442-Y444 VanDerWaalsContact O-N 3.08Å; Y444-K446 PolarHBondContact O-N 3.08Å; Y444-K451 HydrophobicContact CD2-CD 4.45Å; Y444-K451 HydrophobicContact CE2-CD 3.75Å; Y444-K451 PolarHBondContact OH-NZ 3.04Å
445	G	81.4	Confident	83.6	Confident	37 Å²	37	54 Å²	54	38%	0.381	26%	0.262	S	S	.	.	S	Bend	trans	75.4	-36.9	-177.1	0	0	0	0	0	114.2	P335 P442	P335-G445 WeakPolarHBondContact CD-O 3.46Å; P442-G445 PolarHBondContact O-N 2.68Å
446	K	80.9	Confident	83.1	Confident	137 Å²	137	53.7 Å²	53.7	60%	0.596	26%	0.259	S	S	*	.	S	Bend	trans	-115.8	154.4	163.4	-67.9	-161.5	174.1	-152.7	0	111.5	D334 Y444 D448	D334-K446 WeakPolarHBondContact OD1-CA 3.44Å; Y444-K446 PolarHBondContact O-N 3.08Å; K446-D448 PolarHBondContact O-N 3.33Å
447	Y	81.3	Confident	82.6	Confident	30 Å²	30	53.7 Å²	53.7	12%	0.118	26%	0.259	C	S	.	.			trans	-80.7	108.3	179.3	-171.6	-83	0	0	0	111.6	D334 Q449 P453 N456 I472 L474	D334-Y447 PolarHBondContact OD1-N 2.94Å; Y447-Q449 HydrophobicContact CD1-CG 4.29Å; Y447-Q449 PolarHBondContact O-N 3.44Å; Y447-P453 WeakPolarHBondContact OH-CA 3.48Å; Y447-N456 HydrophobicContact CD2-CB 3.92Å; Y447-N456 HydrophobicContact CE2-CB 3.66Å; Y447-I472 HydrophobicContact CD2-CG2 3.77Å; Y447-I472 HydrophobicContact CE2-CD1 4.17Å; Y447-I472 HydrophobicContact CE2-CG2 3.57Å; Y447-I472 HydrophobicContact CG-CG2 4.45Å; Y447-L474 HydrophobicContact CD1-CD2 3.45Å; Y447-L474 VanDerWaalsContact CD1-CD2 3.45Å; Y447-L474 HydrophobicContact CD2-CD2 4.24Å; Y447-L474 HydrophobicContact CE1-CD2 4.13Å; Y447-L474 HydrophobicContact CG-CD2 3.51Å
448	D	81.1	Confident	82	Confident	48 Å²	48	55.8 Å²	55.8	26%	0.257	28%	0.281	S	S	.	.			trans	-76.3	106.8	177.7	179.4	-7.4	0	0	0	111	K446 Y450 K451 N456	K446-D448 PolarHBondContact O-N 3.33Å; D448-Y450 PolarHBondContact O-N 3.1Å; D448-Y450 WeakPolarHBondContact OD1-CB 3.43Å; D448-Y450 WeakPolarHBondContact OD1-CD2 3.44Å; D448-Y450 PolarHBondContact OD1-N 3.19Å; D448-K451 HydrophobicContact CB-CB 4.42Å; D448-K451 HydrophobicContact CB-CD 4.2Å; D448-K451 HydrophobicContact CB-CG 4.42Å; D448-K451 PolarHBondContact O-N 3.3Å; D448-K451 VanDerWaalsContact OD2-CD 3.27Å; D448-K451 WeakPolarHBondContact OD2-CD 3.35Å; D448-K451 WeakPolarHBondContact OD2-CE 3.23Å; D448-K451 WeakPolarHBondContact OD2-CG 3.46Å; D448-K451 IonicContact OD2-NZ 2.76Å; D448-N456 PolarHBondContact O-ND2 2.92Å
449	Q	79.8	Confident	81.4	Confident	116 Å²	116	56.6 Å²	56.6	54%	0.542	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	-176.8	-58.4	-177	28.2	0	0	113.7	Y447	Y447-Q449 HydrophobicContact CD1-CG 4.29Å; Y447-Q449 PolarHBondContact O-N 3.44Å
450	Y	77.3	Confident	80.9	Confident	201 Å²	201	61.6 Å²	61.6	79%	0.788	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-31.5	-178.6	-56.7	-71.2	0	0	0	112.5	D448 R620	D448-Y450 PolarHBondContact O-N 3.1Å; D448-Y450 WeakPolarHBondContact OD1-CB 3.43Å; D448-Y450 WeakPolarHBondContact OD1-CD2 3.44Å; D448-Y450 PolarHBondContact OD1-N 3.19Å; Y450-R620 PolarHBondContact O-NH1 2.96Å; Y450-R620 PolarHBondContact O-NH2 3.04Å
451	K	77.3	Confident	80.3	Confident	61 Å²	61	65.7 Å²	65.7	27%	0.265	33%	0.33	S	S	.	.	S	Bend	trans	-71.6	169.4	174.7	-74.3	178.2	-172.1	171.7	0	113.1	Y444 D448 E455 R620	Y444-K451 HydrophobicContact CD2-CD 4.45Å; Y444-K451 HydrophobicContact CE2-CD 3.75Å; Y444-K451 PolarHBondContact OH-NZ 3.04Å; D448-K451 HydrophobicContact CB-CB 4.42Å; D448-K451 HydrophobicContact CB-CD 4.2Å; D448-K451 HydrophobicContact CB-CG 4.42Å; D448-K451 PolarHBondContact O-N 3.3Å; D448-K451 VanDerWaalsContact OD2-CD 3.27Å; D448-K451 WeakPolarHBondContact OD2-CD 3.35Å; D448-K451 WeakPolarHBondContact OD2-CE 3.23Å; D448-K451 WeakPolarHBondContact OD2-CG 3.46Å; D448-K451 IonicContact OD2-NZ 2.76Å; K451-E455 HydrophobicContact CB-CB 4.49Å; K451-R620 PolarHBondContact O-NH1 2.86Å
452	T	74.1	Confident	80.1	Confident	41 Å²	41	66.2 Å²	66.2	25%	0.252	34%	0.337	S	S	.	.			trans	-72.7	150.3	171.9	66	0	0	0	0	110.8	M454 E455 N456	T452-M454 PolarHBondContact O-N 2.76Å; T452-E455 WeakPolarHBondContact CB-OE1 3.26Å; T452-E455 WeakPolarHBondContact CG2-OE1 3.29Å; T452-E455 PolarHBondContact N-OE1 2.83Å; T452-E455 PolarHBondContact O-N 3.06Å; T452-E455 VanDerWaalsContact OG1-CD 3.26Å; T452-E455 VanDerWaalsContact OG1-CG 3.27Å; T452-E455 WeakPolarHBondContact OG1-CG 3.2Å; T452-E455 PolarHBondContact OG1-N 2.53Å; T452-E455 PolarHBondContact OG1-OE1 2.9Å; T452-N456 PolarHBondContact O-N 3Å; T452-N456 PolarHBondContact O-ND2 2.97Å
453	P	73	Confident	79.9	Confident	10 Å²	10	66 Å²	66	7%	0.065	34%	0.336	C	S	.	.	H	α-helix	trans	-55.3	-37.8	173.2	-25.7	34.7	0	0	0	112.6	Y447 N456 I457 I472 R620	Y447-P453 WeakPolarHBondContact OH-CA 3.48Å; P453-N456 PolarHBondContact O-N 3.34Å; P453-I457 VanDerWaalsContact O-CD1 3.31Å; P453-I457 WeakPolarHBondContact O-CD1 3.46Å; P453-I457 WeakPolarHBondContact O-CG1 3.49Å; P453-I457 PolarHBondContact O-N 3.3Å; P453-I472 HydrophobicContact CB-CD1 4.43Å; P453-R620 WeakPolarHBondContact CG-O 3.09Å
454	M	74	Confident	79.7	Confident	91 Å²	91	61.7 Å²	61.7	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-58.4	-50.5	177.1	-71.2	161.3	162.7	0	0	112.5	T452 N456 I457 G458	T452-M454 PolarHBondContact O-N 2.76Å; M454-N456 VanDerWaalsContact C-N 3.28Å; M454-N456 PolarHBondContact O-N 2.83Å; M454-I457 PolarHBondContact O-N 3.15Å; M454-G458 PolarHBondContact O-N 3.1Å
455	E	79.6	Confident	79.7	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-33.9	176.3	-73.4	160.7	-108.2	0	0	113.3	K451 T452	K451-E455 HydrophobicContact CB-CB 4.49Å; T452-E455 WeakPolarHBondContact CB-OE1 3.26Å; T452-E455 WeakPolarHBondContact CG2-OE1 3.29Å; T452-E455 PolarHBondContact N-OE1 2.83Å; T452-E455 PolarHBondContact O-N 3.06Å; T452-E455 VanDerWaalsContact OG1-CD 3.26Å; T452-E455 VanDerWaalsContact OG1-CG 3.27Å; T452-E455 WeakPolarHBondContact OG1-CG 3.2Å; T452-E455 PolarHBondContact OG1-N 2.53Å; T452-E455 PolarHBondContact OG1-OE1 2.9Å
456	N	80.8	Confident	80	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-74.8	-29.4	179.2	-73.9	-32.4	0	0	0	113.1	P442 V443 Y447 D448 T452 P453 M454	P442-N456 WeakPolarHBondContact CA-O 3.29Å; V443-N456 PolarHBondContact N-O 2.82Å; V443-N456 VanDerWaalsContact N-O 3.1Å; Y447-N456 HydrophobicContact CD2-CB 3.92Å; Y447-N456 HydrophobicContact CE2-CB 3.66Å; D448-N456 PolarHBondContact O-ND2 2.92Å; T452-N456 PolarHBondContact O-N 3Å; T452-N456 PolarHBondContact O-ND2 2.97Å; P453-N456 PolarHBondContact O-N 3.34Å; M454-N456 VanDerWaalsContact C-N 3.28Å; M454-N456 PolarHBondContact O-N 2.83Å
457	I	80.3	Confident	80.3	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-84.6	-38.8	-178.1	-65.3	161.9	0	0	0	111.4	M332 P453 M454 L459 L464 L470 I472	M332-I457 HydrophobicContact CE-CB 4.32Å; M332-I457 HydrophobicContact CE-CG1 4.01Å; M332-I457 HydrophobicContact CE-CG2 4.3Å; M332-I457 HydrophobicContact CG-CG1 4.13Å; M332-I457 HydrophobicContact SD-CG1 4.3Å; M332-I457 HydrophobicContact SD-CG2 3.99Å; P453-I457 VanDerWaalsContact O-CD1 3.31Å; P453-I457 WeakPolarHBondContact O-CD1 3.46Å; P453-I457 WeakPolarHBondContact O-CG1 3.49Å; P453-I457 PolarHBondContact O-N 3.3Å; M454-I457 PolarHBondContact O-N 3.15Å; I457-L459 VanDerWaalsContact C-N 3.25Å; I457-L459 HydrophobicContact CG2-CB 3.91Å; I457-L459 HydrophobicContact CG2-CD1 3.75Å; I457-L459 HydrophobicContact CG2-CG 3.72Å; I457-L459 PolarHBondContact O-N 3.41Å; I457-L464 HydrophobicContact CG2-CD2 4.02Å; I457-L470 HydrophobicContact CD1-CD1 4.17Å; I457-L470 HydrophobicContact CD1-CD2 4.39Å; I457-I472 HydrophobicContact CD1-CD1 4.34Å
458	G	80	Confident	80.6	Confident	44 Å²	44	50.5 Å²	50.5	45%	0.454	26%	0.257	S	S	.	.			trans	66.7	22	176.8	0	0	0	0	0	115.1	M454	M454-G458 PolarHBondContact O-N 3.1Å
459	L	79	Confident	81	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.089	25%	0.245	C	C	.	.			trans	-107.7	154.4	174.7	-61.7	176.2	0	0	0	110.6	L330 F399 I457 L463 L464	L330-L459 HydrophobicContact CD2-CD1 4Å; F399-L459 HydrophobicContact CD1-CD1 4.16Å; F399-L459 HydrophobicContact CD1-CD2 4.35Å; F399-L459 HydrophobicContact CE1-CD1 3.91Å; F399-L459 HydrophobicContact CE1-CD2 4.04Å; I457-L459 VanDerWaalsContact C-N 3.25Å; I457-L459 HydrophobicContact CG2-CB 3.91Å; I457-L459 HydrophobicContact CG2-CD1 3.75Å; I457-L459 HydrophobicContact CG2-CG 3.72Å; I457-L459 PolarHBondContact O-N 3.41Å; L459-L463 HydrophobicContact CD2-CD1 4.2Å; L459-L464 HydrophobicContact CB-CD2 4.19Å; L459-L464 HydrophobicContact CB-CG 4.5Å; L459-L464 HydrophobicContact CD1-CD2 4.35Å
460	Q	81.7	Confident	81.5	Confident	105 Å²	105	42.8 Å²	42.8	49%	0.491	22%	0.219	S	C	.	.			trans	-71.2	145.9	174.7	-60.7	177.9	3.4	0	0	111.3	S462 L463 L464	Q460-S462 WeakPolarHBondContact CB-OG 3.46Å; Q460-S462 PolarHBondContact O-N 3.04Å; Q460-S462 VanDerWaalsContact O-N 3.08Å; Q460-S462 PolarHBondContact OE1-OG 3.47Å; Q460-L463 WeakPolarHBondContact O-CB 3.33Å; Q460-L463 PolarHBondContact O-N 3.21Å; Q460-L464 PolarHBondContact O-N 3.41Å
461	D	79.2	Confident	82	Confident	87 Å²	87	33.5 Å²	33.5	47%	0.465	18%	0.183	S	C	.	.	H	α-helix	trans	-57.2	-27.5	176.3	-58.1	-52.2	0	0	0	113.1	L463 L464 S465	D461-L463 PolarHBondContact O-N 2.88Å; D461-L464 PolarHBondContact O-N 3.34Å; D461-S465 VanDerWaalsContact O-CB 3.31Å; D461-S465 WeakPolarHBondContact O-CB 3.47Å; D461-S465 PolarHBondContact O-N 3.44Å
462	S	83.3	Confident	82.4	Confident	49 Å²	49	31.1 Å²	31.1	34%	0.343	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-22	173.9	61.5	0	0	0	0	114.1	Q460 R466	Q460-S462 WeakPolarHBondContact CB-OG 3.46Å; Q460-S462 PolarHBondContact O-N 3.04Å; Q460-S462 VanDerWaalsContact O-N 3.08Å; Q460-S462 PolarHBondContact OE1-OG 3.47Å; S462-R466 WeakPolarHBondContact O-CG 3.43Å; S462-R466 PolarHBondContact O-NH1 2.96Å
463	L	83.8	Confident	82.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-89	-46	167.5	-75.9	169	0	0	0	110.9	F399 R407 H411 L459 Q460 D461 S465 R466 F467	F399-L463 HydrophobicContact CE1-CD1 4.38Å; F399-L463 HydrophobicContact CZ-CD1 4.39Å; F399-L463 HydrophobicContact CZ-CD2 4.32Å; R407-L463 HydrophobicContact CB-CD1 4.4Å; R407-L463 HydrophobicContact CG-CD1 4.34Å; H411-L463 VanDerWaalsContact CD2-CD2 3.47Å; H411-L463 WeakPolarHBondContact CD2-CD2 3.38Å; H411-L463 VanDerWaalsContact NE2-CD2 3.32Å; H411-L463 WeakPolarHBondContact NE2-CD2 3.25Å; H411-L463 WeakPolarHBondContact NE2-CG 2.99Å; L459-L463 HydrophobicContact CD2-CD1 4.2Å; Q460-L463 WeakPolarHBondContact O-CB 3.33Å; Q460-L463 PolarHBondContact O-N 3.21Å; D461-L463 PolarHBondContact O-N 2.88Å; L463-S465 PolarHBondContact O-N 3.25Å; L463-R466 PolarHBondContact O-N 2.77Å; L463-F467 WeakPolarHBondContact O-CD2 3.45Å; L463-F467 PolarHBondContact O-N 3.4Å
464	L	82	Confident	83.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-32.8	-177.8	-59.9	178.7	0	0	0	112.7	I457 L459 Q460 D461 R466 L470 Q623	I457-L464 HydrophobicContact CG2-CD2 4.02Å; L459-L464 HydrophobicContact CB-CD2 4.19Å; L459-L464 HydrophobicContact CB-CG 4.5Å; L459-L464 HydrophobicContact CD1-CD2 4.35Å; Q460-L464 PolarHBondContact O-N 3.41Å; D461-L464 PolarHBondContact O-N 3.34Å; L464-R466 VanDerWaalsContact C-N 3.34Å; L464-L470 HydrophobicContact CD2-CD1 3.69Å; L464-Q623 PolarHBondContact O-NE2 3.18Å
465	S	83.6	Confident	83.8	Confident	34 Å²	34	30.6 Å²	30.6	24%	0.238	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.9	173.7	-172	0	0	0	0	113.7	D461 L463 R628	D461-S465 VanDerWaalsContact O-CB 3.31Å; D461-S465 WeakPolarHBondContact O-CB 3.47Å; D461-S465 PolarHBondContact O-N 3.44Å; L463-S465 PolarHBondContact O-N 3.25Å; S465-R628 WeakPolarHBondContact O-CD 3.26Å; S465-R628 PolarHBondContact O-NE 2.98Å
466	R	87.1	Confident	83.8	Confident	46 Å²	46	29.9 Å²	29.9	17%	0.174	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-19.4	-178.6	-72	-169.5	175	108	-15.6	115.1	H411 M414 E415 S462 L463 L464	H411-R466 PolarHBondContact CD2-NH1 3.34Å; H411-R466 VanDerWaalsContact CD2-NH1 3.25Å; H411-R466 VanDerWaalsContact CG-NH1 3.27Å; H411-R466 PolarHBondContact O-NE 3.03Å; H411-R466 PolarHBondContact O-NH2 3.34Å; M414-R466 HydrophobicContact CE-CB 3.81Å; M414-R466 WeakPolarHBondContact CE-O 3.35Å; M414-R466 HydrophobicContact SD-CB 4.37Å; E415-R466 WeakPolarHBondContact OE2-CD 3.48Å; E415-R466 WeakPolarHBondContact OE2-CG 3.15Å; E415-R466 IonicContact OE2-CZ 2.76Å; E415-R466 IonicContact OE2-NE 3.4Å; E415-R466 PolarHBondContact OE2-NE 3.4Å; S462-R466 WeakPolarHBondContact O-CG 3.43Å; S462-R466 PolarHBondContact O-NH1 2.96Å; L463-R466 PolarHBondContact O-N 2.77Å; L464-R466 VanDerWaalsContact C-N 3.34Å
467	F	88	Confident	83.8	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	20%	0.201	C	C	.	.			trans	-81.5	120.7	167.5	-70.7	-77.8	0	0	0	108.8	N328 L330 F399 M414 V436 A438 L463 L469 Q623	N328-F467 HydrophobicContact CB-CD1 3.97Å; L330-F467 HydrophobicContact CB-CB 4.28Å; L330-F467 HydrophobicContact CB-CD1 3.83Å; L330-F467 HydrophobicContact CB-CD2 4.34Å; L330-F467 HydrophobicContact CB-CE1 4.23Å; L330-F467 HydrophobicContact CB-CG 3.89Å; L330-F467 HydrophobicContact CD2-CD2 4.15Å; L330-F467 HydrophobicContact CD2-CE2 4.35Å; L330-F467 HydrophobicContact CD2-CG 4.5Å; F399-F467 HydrophobicContact CE1-CE2 4.18Å; F399-F467 HydrophobicContact CE1-CZ 4.27Å; F399-F467 HydrophobicContact CE2-CZ 4.42Å; F399-F467 HydrophobicContact CZ-CE2 4.17Å; F399-F467 HydrophobicContact CZ-CZ 4.04Å; M414-F467 HydrophobicContact CE-CD1 3.72Å; M414-F467 HydrophobicContact CE-CD2 3.98Å; M414-F467 HydrophobicContact CE-CE1 3.59Å; M414-F467 HydrophobicContact CE-CE2 3.85Å; M414-F467 HydrophobicContact CE-CG 3.91Å; M414-F467 HydrophobicContact CE-CZ 3.66Å; M414-F467 HydrophobicContact SD-CZ 4.26Å; V436-F467 HydrophobicContact CG1-CE1 4.22Å; A438-F467 HydrophobicContact CB-CE1 4Å; A438-F467 HydrophobicContact CB-CZ 4.14Å; L463-F467 WeakPolarHBondContact O-CD2 3.45Å; L463-F467 PolarHBondContact O-N 3.4Å; F467-L469 VanDerWaalsContact C-N 3.3Å; F467-Q623 PolarHBondContact O-NE2 3.11Å
468	D	88.4	Confident	84	Confident	10 Å²	10	36 Å²	36	5%	0.053	21%	0.211	C	C	.	.	S	Bend	trans	-68.3	-31.9	-179.8	-68.2	-97.1	0	0	0	111.5	R324 I327 N328 T632 R635	R324-D468 IonicContact CZ-OD2 2.67Å; R324-D468 IonicContact NH1-OD2 3.35Å; R324-D468 IonicContact NH2-OD2 3.21Å; R324-D468 PolarHBondContact NH2-OD2 2.92Å; I327-D468 HydrophobicContact CG2-CB 4.14Å; N328-D468 PolarHBondContact N-OD2 2.84Å; N328-D468 PolarHBondContact O-N 3.44Å; D468-T632 HydrophobicContact CB-CG2 3.63Å; D468-T632 PolarHBondContact OD1-OG1 3.05Å; D468-R635 IonicContact OD1-CZ 3.75Å; D468-R635 IonicContact OD1-NH1 2.79Å; D468-R635 PolarHBondContact OD1-NH1 2.96Å
469	L	88.8	Confident	84.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.8	179.3	-62.5	176.3	0	0	0	111.2	A304 N328 L329 L330 F467 F471 L636 L660 I661 V664	A304-L469 HydrophobicContact CB-CD1 3.67Å; N328-L469 PolarHBondContact O-N 3.23Å; N328-L469 VanDerWaalsContact O-N 3.15Å; L329-L469 WeakPolarHBondContact CA-O 3.4Å; L329-L469 HydrophobicContact CG-CB 4.28Å; L330-L469 PolarHBondContact N-O 2.87Å; F467-L469 VanDerWaalsContact C-N 3.3Å; L469-F471 HydrophobicContact CB-CD2 4.44Å; L469-F471 HydrophobicContact CB-CE2 3.89Å; L469-F471 HydrophobicContact CD1-CE2 4.08Å; L469-F471 HydrophobicContact CD1-CZ 4.45Å; L469-L636 HydrophobicContact CD1-CD2 4Å; L469-L636 HydrophobicContact CD2-CD1 4.15Å; L469-L660 HydrophobicContact CD1-CD2 3.83Å; L469-L660 HydrophobicContact CD2-CD2 3.45Å; L469-L660 VanDerWaalsContact CD2-CD2 3.45Å; L469-L660 HydrophobicContact CG-CD2 4.31Å; L469-I661 HydrophobicContact CD2-CG1 4.45Å; L469-V664 HydrophobicContact CD2-CG2 4.19Å
470	L	89.8	Confident	84.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	102.5	176.4	-165.4	166.9	0	0	0	110.3	L330 M332 I457 L464 I472 Q623	L330-L470 HydrophobicContact CB-CG 4.39Å; L330-L470 HydrophobicContact CD2-CD1 4.08Å; L330-L470 HydrophobicContact CD2-CG 4.08Å; L330-L470 HydrophobicContact CG-CG 4.39Å; M332-L470 HydrophobicContact CB-CD2 4.4Å; M332-L470 HydrophobicContact CG-CD2 4.03Å; I457-L470 HydrophobicContact CD1-CD1 4.17Å; I457-L470 HydrophobicContact CD1-CD2 4.39Å; L464-L470 HydrophobicContact CD2-CD1 3.69Å; L470-I472 HydrophobicContact CD2-CD1 4.01Å; L470-I472 HydrophobicContact CD2-CG1 3.37Å; L470-Q623 HydrophobicContact CB-CG 4.12Å; L470-Q623 HydrophobicContact CD1-CG 4.08Å
471	F	88.5	Confident	84.7	Confident	7 Å²	7	40 Å²	40	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.3	174.8	-66.1	-84.5	0	0	0	110.1	H300 I301 A304 L329 L330 L331 M332 L469 L660 F663 V664	H300-F471 HydrophobicContact CB-CE1 4.35Å; I301-F471 HydrophobicContact CD1-CB 4.27Å; I301-F471 HydrophobicContact CD1-CD1 4.48Å; I301-F471 HydrophobicContact CD1-CG 4.45Å; I301-F471 HydrophobicContact CG1-CB 4.37Å; I301-F471 HydrophobicContact CG1-CD1 3.82Å; I301-F471 HydrophobicContact CG1-CE1 4.24Å; I301-F471 HydrophobicContact CG1-CG 4.01Å; A304-F471 HydrophobicContact CB-CE2 3.43Å; A304-F471 VanDerWaalsContact CB-CE2 3.43Å; A304-F471 HydrophobicContact CB-CZ 3.55Å; L329-F471 HydrophobicContact CD1-CE2 4.27Å; L329-F471 HydrophobicContact CD2-CD2 3.89Å; L329-F471 HydrophobicContact CD2-CE2 4.35Å; L329-F471 HydrophobicContact CG-CD2 4.2Å; L329-F471 HydrophobicContact CG-CE2 4.2Å; L330-F471 PolarHBondContact O-N 2.91Å; L331-F471 HydrophobicContact CD2-CB 4.11Å; L331-F471 HydrophobicContact CD2-CD2 4.44Å; M332-F471 PolarHBondContact N-O 2.87Å; L469-F471 HydrophobicContact CB-CD2 4.44Å; L469-F471 HydrophobicContact CB-CE2 3.89Å; L469-F471 HydrophobicContact CD1-CE2 4.08Å; L469-F471 HydrophobicContact CD1-CZ 4.45Å; F471-L660 HydrophobicContact CZ-CD2 4.18Å; F471-F663 HydrophobicContact CD1-CD1 4.45Å; F471-F663 HydrophobicContact CD1-CE1 4.13Å; F471-F663 HydrophobicContact CE1-CD1 4.03Å; F471-F663 HydrophobicContact CE1-CE1 4.04Å; F471-V664 HydrophobicContact CD1-CG2 3.99Å; F471-V664 HydrophobicContact CE1-CG2 3.57Å; F471-V664 HydrophobicContact CE2-CG2 4.26Å; F471-V664 HydrophobicContact CZ-CG2 3.71Å
472	I	85.4	Confident	85	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	92.8	172.7	-50.7	178	0	0	0	108.6	M332 Y447 P453 I457 L470 L474 T622 K667	M332-I472 HydrophobicContact CB-CB 4.4Å; M332-I472 HydrophobicContact CB-CG1 4.12Å; M332-I472 HydrophobicContact CB-CG2 4.37Å; M332-I472 WeakPolarHBondContact O-CA 3.24Å; Y447-I472 HydrophobicContact CD2-CG2 3.77Å; Y447-I472 HydrophobicContact CE2-CD1 4.17Å; Y447-I472 HydrophobicContact CE2-CG2 3.57Å; Y447-I472 HydrophobicContact CG-CG2 4.45Å; P453-I472 HydrophobicContact CB-CD1 4.43Å; I457-I472 HydrophobicContact CD1-CD1 4.34Å; L470-I472 HydrophobicContact CD2-CD1 4.01Å; L470-I472 HydrophobicContact CD2-CG1 3.37Å; I472-L474 HydrophobicContact CG2-CD2 4Å; I472-T622 HydrophobicContact CD1-CG2 3.68Å; I472-K667 HydrophobicContact CB-CD 4.23Å; I472-K667 VanDerWaalsContact CG2-NZ 3.34Å; I472-K667 WeakPolarHBondContact O-CE 3.46Å; I472-K667 PolarHBondContact O-NZ 2.99Å
473	V	84	Confident	85.3	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.7	175.1	-148.9	0	0	0	0	109	H298 I301 M332 G333 V337	H298-V473 WeakPolarHBondContact CE1-CG1 3.43Å; I301-V473 HydrophobicContact CD1-CG2 3.72Å; M332-V473 PolarHBondContact O-N 2.93Å; G333-V473 WeakPolarHBondContact CA-O 3.3Å; V337-V473 HydrophobicContact CG1-CB 4Å; V337-V473 HydrophobicContact CG1-CG1 3.5Å
474	L	83	Confident	85.4	Confident	29 Å²	29	46.8 Å²	46.8	15%	0.152	26%	0.26	C	S	.	.			trans	-112.9	140.6	176.5	-58.1	-179	0	0	0	109.6	D334 Y447 I472 K476 K667	D334-L474 WeakPolarHBondContact OD2-CA 2.95Å; Y447-L474 HydrophobicContact CD1-CD2 3.45Å; Y447-L474 VanDerWaalsContact CD1-CD2 3.45Å; Y447-L474 HydrophobicContact CD2-CD2 4.24Å; Y447-L474 HydrophobicContact CE1-CD2 4.13Å; Y447-L474 HydrophobicContact CG-CD2 3.51Å; I472-L474 HydrophobicContact CG2-CD2 4Å; L474-K476 PolarHBondContact O-N 3.41Å; L474-K476 VanDerWaalsContact O-N 3.13Å; L474-K667 VanDerWaalsContact CG-NZ 3.31Å
475	D	83.7	Confident	85.5	Confident	89 Å²	89	50.5 Å²	50.5	48%	0.476	28%	0.279	S	S	.	.			trans	-71.7	96.1	165	-173.5	26	0	0	0	109.4	D334 V337	D334-D475 HydrophobicContact CB-CB 3.97Å; D334-D475 PolarHBondContact OD2-N 3.42Å; V337-D475 HydrophobicContact CG2-CB 3.91Å
476	K	80.4	Confident	85.7	Confident	80 Å²	80	51.1 Å²	51.1	35%	0.348	29%	0.286	S	S	.	.			trans	-103.7	115	171.6	-78.8	-171.5	172.9	-169.6	0	108.5	L474 D478 L670	L474-K476 PolarHBondContact O-N 3.41Å; L474-K476 VanDerWaalsContact O-N 3.13Å; K476-D478 PolarHBondContact O-N 2.75Å; K476-L670 PolarHBondContact NZ-O 3.11Å
477	A	79.8	Confident	85.6	Confident	89 Å²	89	53.9 Å²	53.9	74%	0.736	30%	0.301	S	S	*	.			trans	-73.1	67.9	171.6	0	0	0	0	0	111.5
478	D	85	Confident	85.3	Confident	43 Å²	43	56.1 Å²	56.1	23%	0.23	31%	0.311	C	S	.	.			trans	-92.5	112.7	173.1	-101.6	-61.8	0	0	0	108.2	K476 D480 S481 D482 K672	K476-D478 PolarHBondContact O-N 2.75Å; D478-D480 PolarHBondContact O-N 3.33Å; D478-D480 VanDerWaalsContact O-N 3.07Å; D478-S481 VanDerWaalsContact CB-OG 3.23Å; D478-S481 WeakPolarHBondContact CB-OG 3.39Å; D478-S481 PolarHBondContact O-N 2.59Å; D478-S481 PolarHBondContact O-OG 3.08Å; D478-D482 PolarHBondContact O-N 3.5Å; D478-K672 WeakPolarHBondContact OD1-CE 3.41Å; D478-K672 IonicContact OD1-NZ 2.76Å; D478-K672 PolarHBondContact OD1-NZ 2.71Å
479	P	87.7	Confident	85	Confident	92 Å²	92	58.7 Å²	58.7	60%	0.597	33%	0.327	S	S	*	.	H	α-helix	trans	-64.7	-23	-169.1	25.4	-35.4	0	0	0	113.5	R483	P479-R483 VanDerWaalsContact O-CB 3.22Å; P479-R483 WeakPolarHBondContact O-CB 3.38Å; P479-R483 PolarHBondContact O-N 3.34Å
480	D	87.6	Confident	84.8	Confident	110 Å²	110	64 Å²	64	59%	0.588	36%	0.355	S	S	*	.	H	α-helix	trans	-67.8	-43.4	175.1	-48	-58.7	0	0	0	111.5	D478 A484 K672	D478-D480 PolarHBondContact O-N 3.33Å; D478-D480 VanDerWaalsContact O-N 3.07Å; D480-A484 PolarHBondContact O-N 3.01Å; D480-A484 VanDerWaalsContact O-N 3.16Å; D480-K672 IonicContact OD2-NZ 3.7Å; D480-K672 PolarHBondContact OD2-NZ 3.31Å
481	S	79.6	Confident	84.2	Confident	47 Å²	47	68 Å²	68	33%	0.329	37%	0.373	S	S	.	.	H	α-helix	trans	-74.8	-39.7	176.9	38.1	0	0	0	0	111.7	D478 R483 A484 I485	D478-S481 VanDerWaalsContact CB-OG 3.23Å; D478-S481 WeakPolarHBondContact CB-OG 3.39Å; D478-S481 PolarHBondContact O-N 2.59Å; D478-S481 PolarHBondContact O-OG 3.08Å; S481-R483 VanDerWaalsContact C-N 3.28Å; S481-R483 PolarHBondContact O-N 3.3Å; S481-A484 PolarHBondContact O-N 3.09Å; S481-A484 VanDerWaalsContact O-N 3.11Å; S481-I485 WeakPolarHBondContact O-CB 3.26Å; S481-I485 WeakPolarHBondContact O-CD1 3.34Å; S481-I485 VanDerWaalsContact O-CG1 3.26Å; S481-I485 WeakPolarHBondContact O-CG1 3.35Å; S481-I485 PolarHBondContact O-N 3.46Å
482	D	86	Confident	83.5	Confident	70 Å²	70	71.1 Å²	71.1	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-39	179.1	-61.6	-15.5	0	0	0	110.7	D478 I485 A486	D478-D482 PolarHBondContact O-N 3.5Å; D482-I485 PolarHBondContact O-N 3.39Å; D482-A486 WeakPolarHBondContact O-CB 3.4Å; D482-A486 PolarHBondContact O-N 2.88Å
483	R	88.9	Confident	82.9	Confident	167 Å²	167	76.5 Å²	76.5	63%	0.63	41%	0.413	S	S	*	.	H	α-helix	trans	-62.6	-46.9	170.6	-178.3	175.8	179.1	127.1	15	112.3	P479 S481 I485 A486 E487	P479-R483 VanDerWaalsContact O-CB 3.22Å; P479-R483 WeakPolarHBondContact O-CB 3.38Å; P479-R483 PolarHBondContact O-N 3.34Å; S481-R483 VanDerWaalsContact C-N 3.28Å; S481-R483 PolarHBondContact O-N 3.3Å; R483-I485 VanDerWaalsContact C-N 3.31Å; R483-I485 PolarHBondContact O-N 3.34Å; R483-A486 PolarHBondContact O-N 3.47Å; R483-E487 HydrophobicContact CG-CG 4.41Å; R483-E487 IonicContact CZ-OE1 3.19Å; R483-E487 IonicContact NE-OE1 3.68Å; R483-E487 PolarHBondContact NE-OE1 3.34Å; R483-E487 IonicContact NH2-OE1 2.85Å; R483-E487 PolarHBondContact NH2-OE1 2.94Å; R483-E487 WeakPolarHBondContact O-CG 3.35Å; R483-E487 PolarHBondContact O-N 2.88Å
484	A	85.8	Confident	82.1	Confident	42 Å²	42	84.6 Å²	84.6	35%	0.347	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-37.5	178.9	0	0	0	0	0	112.3	D480 S481 H488	D480-A484 PolarHBondContact O-N 3.01Å; D480-A484 VanDerWaalsContact O-N 3.16Å; S481-A484 PolarHBondContact O-N 3.09Å; S481-A484 VanDerWaalsContact O-N 3.11Å; A484-H488 WeakPolarHBondContact O-CB 3.49Å; A484-H488 PolarHBondContact O-N 3.43Å
485	I	85.4	Confident	81.1	Confident	80 Å²	80	89 Å²	89	41%	0.41	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-47.2	173.1	-68.6	161.9	0	0	0	110.1	C296 S481 D482 R483 H488 V489	C296-I485 HydrophobicContact CB-CG1 4.07Å; S481-I485 WeakPolarHBondContact O-CB 3.26Å; S481-I485 WeakPolarHBondContact O-CD1 3.34Å; S481-I485 VanDerWaalsContact O-CG1 3.26Å; S481-I485 WeakPolarHBondContact O-CG1 3.35Å; S481-I485 PolarHBondContact O-N 3.46Å; D482-I485 PolarHBondContact O-N 3.39Å; R483-I485 VanDerWaalsContact C-N 3.31Å; R483-I485 PolarHBondContact O-N 3.34Å; I485-H488 PolarHBondContact O-N 3.14Å; I485-V489 HydrophobicContact CG2-CG2 4.31Å; I485-V489 WeakPolarHBondContact O-CB 3.42Å; I485-V489 WeakPolarHBondContact O-CG2 3.33Å; I485-V489 PolarHBondContact O-N 2.93Å
486	A	86.1	Confident	79.9	Confident	47 Å²	47	88.9 Å²	88.9	39%	0.388	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-47.4	179.1	0	0	0	0	0	112.5	D482 R483 H488 V489 L490	D482-A486 WeakPolarHBondContact O-CB 3.4Å; D482-A486 PolarHBondContact O-N 2.88Å; R483-A486 PolarHBondContact O-N 3.47Å; A486-H488 VanDerWaalsContact C-N 3.28Å; A486-H488 PolarHBondContact O-N 2.69Å; A486-V489 PolarHBondContact O-N 2.85Å; A486-L490 VanDerWaalsContact O-CB 3.28Å; A486-L490 WeakPolarHBondContact O-CB 3.43Å; A486-L490 WeakPolarHBondContact O-CG 3.4Å; A486-L490 PolarHBondContact O-N 3.42Å
487	E	86.4	Confident	78.8	Confident	104 Å²	104	87.1 Å²	87.1	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-36.3	176	-72.4	-178.5	-174.8	0	0	111.9	R483 K491	R483-E487 HydrophobicContact CG-CG 4.41Å; R483-E487 IonicContact CZ-OE1 3.19Å; R483-E487 IonicContact NE-OE1 3.68Å; R483-E487 PolarHBondContact NE-OE1 3.34Å; R483-E487 IonicContact NH2-OE1 2.85Å; R483-E487 PolarHBondContact NH2-OE1 2.94Å; R483-E487 WeakPolarHBondContact O-CG 3.35Å; R483-E487 PolarHBondContact O-N 2.88Å; E487-K491 WeakPolarHBondContact O-CB 3.41Å; E487-K491 PolarHBondContact O-N 3.35Å
488	H	80.7	Confident	77.2	Confident	48 Å²	48	90 Å²	90	22%	0.222	47%	0.466	C	S	.	.	H	α-helix	trans	-71.5	-44.7	177.1	-170.8	69.1	0	0	0	113.2	P293 C296 A484 I485 A486 K491 I492	P293-H488 PolarHBondContact O-CE1 2.69Å; P293-H488 PolarHBondContact O-NE2 3.04Å; C296-H488 HydrophobicContact CB-CB 4.39Å; A484-H488 WeakPolarHBondContact O-CB 3.49Å; A484-H488 PolarHBondContact O-N 3.43Å; I485-H488 PolarHBondContact O-N 3.14Å; A486-H488 VanDerWaalsContact C-N 3.28Å; A486-H488 PolarHBondContact O-N 2.69Å; H488-K491 WeakPolarHBondContact O-CB 3.45Å; H488-K491 PolarHBondContact O-N 2.96Å; H488-I492 WeakPolarHBondContact O-CG1 3.42Å; H488-I492 PolarHBondContact O-N 3.42Å
489	V	82.7	Confident	75.9	Confident	65 Å²	65	91.4 Å²	91.4	39%	0.394	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-43.9	174.8	170.9	0	0	0	0	110.6	I485 A486 K491 I492 H493	I485-V489 HydrophobicContact CG2-CG2 4.31Å; I485-V489 WeakPolarHBondContact O-CB 3.42Å; I485-V489 WeakPolarHBondContact O-CG2 3.33Å; I485-V489 PolarHBondContact O-N 2.93Å; A486-V489 PolarHBondContact O-N 2.85Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 3.38Å; V489-I492 PolarHBondContact O-N 3.11Å; V489-H493 PolarHBondContact O-CD2 3.2Å; V489-H493 PolarHBondContact O-N 3.03Å
490	L	83.6	Confident	74.3	Confident	111 Å²	111	91.4 Å²	91.4	58%	0.581	48%	0.484	S	S	*	.	H	α-helix	trans	-62.3	-37.5	174.1	-72.3	170.3	0	0	0	112	A486 H493 R494	A486-L490 VanDerWaalsContact O-CB 3.28Å; A486-L490 WeakPolarHBondContact O-CB 3.43Å; A486-L490 WeakPolarHBondContact O-CG 3.4Å; A486-L490 PolarHBondContact O-N 3.42Å; L490-H493 PolarHBondContact O-N 2.74Å; L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 VanDerWaalsContact O-CG 3.27Å; L490-R494 WeakPolarHBondContact O-CG 3.41Å; L490-R494 PolarHBondContact O-N 3.38Å
491	K	78.3	Confident	72.4	Confident	86 Å²	86	93.7 Å²	93.7	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-47.2	172.3	-177.7	-179.6	176.2	-176	0	110.9	E487 H488 V489 R494 Y495	E487-K491 WeakPolarHBondContact O-CB 3.41Å; E487-K491 PolarHBondContact O-N 3.35Å; H488-K491 WeakPolarHBondContact O-CB 3.45Å; H488-K491 PolarHBondContact O-N 2.96Å; V489-K491 VanDerWaalsContact C-N 3.32Å; V489-K491 PolarHBondContact O-N 3.38Å; K491-R494 PolarHBondContact O-N 3.12Å; K491-Y495 HydrophobicContact CG-CD2 4.33Å; K491-Y495 HydrophobicContact CG-CE2 4.18Å; K491-Y495 WeakPolarHBondContact O-CD2 3.27Å; K491-Y495 PolarHBondContact O-N 3.23Å
492	I	74	Confident	70.9	Confident	72 Å²	72	100 Å²	100	37%	0.369	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-47.5	178.9	-65	159.1	0	0	0	111	H488 V489 R494 Y495	H488-I492 WeakPolarHBondContact O-CG1 3.42Å; H488-I492 PolarHBondContact O-N 3.42Å; V489-I492 PolarHBondContact O-N 3.11Å; I492-R494 VanDerWaalsContact C-N 3.25Å; I492-R494 PolarHBondContact O-N 2.92Å; I492-Y495 PolarHBondContact O-N 2.62Å
493	H	71.7	Confident	68.7	Low	124 Å²	124	103.4 Å²	103.4	57%	0.574	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-31.9	177	-84.4	-101.5	0	0	0	112.7	V489 L490 Y495 R496	V489-H493 PolarHBondContact O-CD2 3.2Å; V489-H493 PolarHBondContact O-N 3.03Å; L490-H493 PolarHBondContact O-N 2.74Å; H493-Y495 VanDerWaalsContact C-N 3.31Å; H493-Y495 PolarHBondContact O-N 3.36Å; H493-R496 WeakPolarHBondContact O-CB 3.29Å; H493-R496 PolarHBondContact O-N 3.18Å
494	R	68.3	Low	66	Low	182 Å²	182	103 Å²	103	69%	0.687	54%	0.543	S	S	*	.	H	α-helix	trans	-73	-14	174.2	-76.1	179.4	65.1	-166.8	-1.2	115	L490 K491 I492 R496	L490-R494 WeakPolarHBondContact O-CB 3.37Å; L490-R494 VanDerWaalsContact O-CG 3.27Å; L490-R494 WeakPolarHBondContact O-CG 3.41Å; L490-R494 PolarHBondContact O-N 3.38Å; K491-R494 PolarHBondContact O-N 3.12Å; I492-R494 VanDerWaalsContact C-N 3.25Å; I492-R494 PolarHBondContact O-N 2.92Å; R494-R496 VanDerWaalsContact C-N 3.33Å
495	Y	60.9	Low	63.7	Low	120 Å²	120	105.7 Å²	105.7	47%	0.471	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	-10	170.7	-92.8	-87.1	0	0	0	112.8	K491 I492 H493	K491-Y495 HydrophobicContact CG-CD2 4.33Å; K491-Y495 HydrophobicContact CG-CE2 4.18Å; K491-Y495 WeakPolarHBondContact O-CD2 3.27Å; K491-Y495 PolarHBondContact O-N 3.23Å; I492-Y495 PolarHBondContact O-N 2.62Å; H493-Y495 VanDerWaalsContact C-N 3.31Å; H493-Y495 PolarHBondContact O-N 3.36Å
496	R	58.5	Low	61.2	Low	87 Å²	87	105.8 Å²	105.8	33%	0.328	57%	0.566	S	S	.	*	S	Bend	trans	-77.2	130.9	-179.9	-151.5	169.4	-171.8	-167.2	-7.9	110.1	H493 R494 E500	H493-R496 WeakPolarHBondContact O-CB 3.29Å; H493-R496 PolarHBondContact O-N 3.18Å; R494-R496 VanDerWaalsContact C-N 3.33Å; R496-E500 IonicContact CZ-OE2 2.77Å; R496-E500 IonicContact NE-OE2 3.44Å; R496-E500 PolarHBondContact NE-OE2 2.9Å; R496-E500 IonicContact NH2-OE2 3.4Å; R496-E500 PolarHBondContact NH2-OE2 2.89Å
497	G	57.1	Low	58.5	Low	44 Å²	44	108.7 Å²	108.7	45%	0.454	58%	0.581	S	S	.	*			trans	-64.4	138	-178.6	0	0	0	0	0	112	G499 E500	G497-G499 PolarHBondContact O-N 2.95Å; G497-E500 PolarHBondContact O-N 2.87Å
498	P	46.9	Very low	56	Low	148 Å²	148	109.6 Å²	109.6	96%	0.961	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	91.5	178.5	29	-34.2	0	0	0	110.4
499	G	56.9	Low	53.7	Low	73 Å²	73	114.1 Å²	114.1	75%	0.753	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.4	-20.5	-177.7	0	0	0	0	0	114.9	G497	G497-G499 PolarHBondContact O-N 2.95Å
500	E	56	Low	51	Low	93 Å²	93	114.5 Å²	114.5	44%	0.435	61%	0.614	S	S	.	*			trans	-71.3	135.7	173.4	-73.8	-173.7	-166.7	0	0	112.1	R496 G497 L506	R496-E500 IonicContact CZ-OE2 2.77Å; R496-E500 IonicContact NE-OE2 3.44Å; R496-E500 PolarHBondContact NE-OE2 2.9Å; R496-E500 IonicContact NH2-OE2 3.4Å; R496-E500 PolarHBondContact NH2-OE2 2.89Å; G497-E500 PolarHBondContact O-N 2.87Å; E500-L506 WeakPolarHBondContact OE2-CD1 3.16Å
501	Q	47.8	Very low	48.5	Very low	158 Å²	158	112.7 Å²	112.7	74%	0.738	62%	0.615	S	S	*	*			trans	-76.5	140.9	176.6	-63.4	-174.2	5.3	0	0	111.1	V503	Q501-V503 PolarHBondContact O-N 3.02Å; Q501-V503 VanDerWaalsContact O-N 3.09Å
502	E	46.4	Very low	46.4	Very low	180 Å²	180	110.6 Å²	110.6	84%	0.841	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	-166.1	-59.4	-175.4	122.6	0	0	115.1
503	V	41	Very low	44.4	Very low	140 Å²	140	114.7 Å²	114.7	85%	0.848	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-16.5	-163.8	-171.1	0	0	0	0	113.9	Q501	Q501-V503 PolarHBondContact O-N 3.02Å; Q501-V503 VanDerWaalsContact O-N 3.09Å
504	E	32.7	Very low	42.9	Very low	160 Å²	160	115 Å²	115	75%	0.748	64%	0.636	S	S	*	*	S	Bend	trans	-78.9	126.8	171.7	-93.3	-170.5	145.8	0	0	111.4	L506	E504-L506 PolarHBondContact O-N 3.18Å; E504-L506 VanDerWaalsContact O-N 3.11Å
505	A	36.7	Very low	41.6	Very low	97 Å²	97	109.1 Å²	109.1	80%	0.802	62%	0.618	S	S	*	*			trans	-70.4	103.8	169.2	0	0	0	0	0	108.5
506	L	33.3	Very low	40.6	Very low	83 Å²	83	105 Å²	105	44%	0.435	61%	0.606	S	S	.	*			trans	-49.3	126.6	177.1	-77.8	174.2	0	0	0	110.9	E500 E504 L508	E500-L506 WeakPolarHBondContact OE2-CD1 3.16Å; E504-L506 PolarHBondContact O-N 3.18Å; E504-L506 VanDerWaalsContact O-N 3.11Å; L506-L508 HydrophobicContact CB-CD1 3.71Å; L506-L508 HydrophobicContact CD1-CD1 4.43Å; L506-L508 PolarHBondContact O-N 3.23Å
507	P	29.7	Very low	39.9	Very low	107 Å²	107	101 Å²	101	70%	0.695	59%	0.591	S	S	*	*			trans	-70.6	85	165.3	29.7	-32.3	0	0	0	108.2	H509	P507-H509 PolarHBondContact O-N 2.86Å
508	L	33	Very low	39.2	Very low	123 Å²	123	101.9 Å²	101.9	64%	0.644	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	98.4	-178.8	-104	77.5	0	0	0	110.4	L506 C510	L506-L508 HydrophobicContact CB-CD1 3.71Å; L506-L508 HydrophobicContact CD1-CD1 4.43Å; L506-L508 PolarHBondContact O-N 3.23Å; L508-C510 PolarHBondContact O-N 2.88Å
509	H	32.4	Very low	38.8	Very low	144 Å²	144	96.4 Å²	96.4	67%	0.667	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.3	61	177.6	-153.5	77.6	0	0	0	114.5	P507 A511	P507-H509 PolarHBondContact O-N 2.86Å; H509-A511 PolarHBondContact O-N 3.44Å; H509-A511 VanDerWaalsContact O-N 3.11Å
510	C	25.2	Very low	37.6	Very low	72 Å²	72	98.1 Å²	98.1	49%	0.486	56%	0.559	S	S	.	*			trans	-62.1	113.3	168	-163.3	0	0	0	0	109.4	L508 A512	L508-C510 PolarHBondContact O-N 2.88Å; C510-A512 PolarHBondContact O-N 2.89Å
511	A	31.6	Very low	36.8	Very low	73 Å²	73	97.3 Å²	97.3	60%	0.603	56%	0.562	S	S	*	*			trans	-74.7	31.6	-175.9	0	0	0	0	0	113.9	H509 H513	H509-A511 PolarHBondContact O-N 3.44Å; H509-A511 VanDerWaalsContact O-N 3.11Å; A511-H513 VanDerWaalsContact C-N 3.29Å; A511-H513 PolarHBondContact O-N 2.88Å
512	A	34.8	Very low	36.3	Very low	43 Å²	43	96.7 Å²	96.7	36%	0.355	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	14.2	-165.1	0	0	0	0	0	115.3	C510	C510-A512 PolarHBondContact O-N 2.89Å
513	H	32.2	Very low	35.7	Very low	157 Å²	157	93 Å²	93	73%	0.727	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	31.3	175.7	-80.3	-11.4	0	0	0	113.8	A511 L515	A511-H513 VanDerWaalsContact C-N 3.29Å; A511-H513 PolarHBondContact O-N 2.88Å; H513-L515 HydrophobicContact CB-CD1 4.16Å; H513-L515 HydrophobicContact CB-CG 4.2Å; H513-L515 PolarHBondContact O-N 3.18Å
514	L	38.8	Very low	35.4	Very low	131 Å²	131	91.2 Å²	91.2	69%	0.686	53%	0.533	S	S	*	.			trans	-70.7	72.9	153.8	-90	159.8	0	0	0	109.3	T516	L514-T516 PolarHBondContact O-N 3.03Å
515	L	40.9	Very low	35.4	Very low	58 Å²	58	89.3 Å²	89.3	30%	0.304	53%	0.533	S	S	.	.			trans	-75.5	34.4	-169.6	-72.2	164.3	0	0	0	114.1	S95 H100 H513	S95-L515 VanDerWaalsContact CA-O 3.3Å; S95-L515 WeakPolarHBondContact CA-O 3.41Å; S95-L515 WeakPolarHBondContact CB-O 3.23Å; S95-L515 PolarHBondContact OG-O 3.37Å; H100-L515 HydrophobicContact CB-CD2 4.08Å; H513-L515 HydrophobicContact CB-CD1 4.16Å; H513-L515 HydrophobicContact CB-CG 4.2Å; H513-L515 PolarHBondContact O-N 3.18Å
516	T	41.1	Very low	35.2	Very low	35 Å²	35	88.8 Å²	88.8	22%	0.215	52%	0.523	C	S	.	.			trans	-144.7	113.7	-179.5	25.3	0	0	0	0	111.3	L514 G518 A519 I524	L514-T516 PolarHBondContact O-N 3.03Å; T516-G518 PolarHBondContact O-N 2.9Å; T516-A519 HydrophobicContact CG2-CB 4.35Å; T516-I524 HydrophobicContact CG2-CD1 3.85Å
517	T	44.3	Very low	35	Very low	1 Å²	1	92.1 Å²	92.1	1%	0.006	54%	0.536	C	S	.	.	S	Bend	trans	-58.2	120.9	156	49	0	0	0	0	108.8	G94 Q226 V228 A519	G94-T517 PolarHBondContact N-OG1 2.78Å; G94-T517 PolarHBondContact O-OG1 3.25Å; Q226-T517 HydrophobicContact CG-CG2 4.02Å; V228-T517 HydrophobicContact CG2-CG2 4.12Å; T517-A519 PolarHBondContact O-N 2.85Å
518	G	42.2	Very low	35.1	Very low	63 Å²	63	95 Å²	95	65%	0.649	55%	0.546	S	S	*	.	S	Bend	trans	56	-3.1	160.4	0	0	0	0	0	121.2	E93 T516	E93-G518 VanDerWaalsContact OE1-CA 3.24Å; E93-G518 WeakPolarHBondContact OE1-CA 3.24Å; T516-G518 PolarHBondContact O-N 2.9Å
519	A	36.8	Very low	34.9	Very low	33 Å²	33	95 Å²	95	27%	0.273	55%	0.546	S	S	.	.			trans	-87.6	131.4	176	0	0	0	0	0	111.8	T516 T517	T516-A519 HydrophobicContact CG2-CB 4.35Å; T517-A519 PolarHBondContact O-N 2.85Å
520	D	33.3	Very low	35	Very low	110 Å²	110	98.7 Å²	98.7	59%	0.588	56%	0.556	S	S	*	*			trans	-57.5	139.9	-178.2	-68.1	-66.2	0	0	0	113.1	L522 N523	D520-L522 PolarHBondContact O-N 3.3Å; D520-N523 PolarHBondContact O-N 3.09Å
521	P	39.5	Very low	35.2	Very low	75 Å²	75	102.6 Å²	102.6	49%	0.487	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-10	177	27.3	-34.9	0	0	0	113.8
522	L	36.9	Very low	35.4	Very low	146 Å²	146	106.4 Å²	106.4	76%	0.764	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-18.4	179.7	-85.2	159.4	0	0	0	114.9	D520	D520-L522 PolarHBondContact O-N 3.3Å
523	N	32.8	Very low	35.4	Very low	103 Å²	103	111.7 Å²	111.7	55%	0.551	60%	0.604	S	S	*	*	S	Bend	trans	-113.4	14.1	-162	-137.6	-5	0	0	0	115.6	R46 D520	R46-N523 PolarHBondContact NH2-O 2.81Å; D520-N523 PolarHBondContact O-N 3.09Å
524	I	34.8	Very low	35.5	Very low	101 Å²	101	112.4 Å²	112.4	52%	0.518	61%	0.613	S	S	.	*	S	Bend	trans	-110.6	-14.3	-180	-68.9	178.4	0	0	0	112.6	T516	T516-I524 HydrophobicContact CG2-CD1 3.85Å
525	V	33	Very low	35.3	Very low	121 Å²	121	108 Å²	108	73%	0.733	60%	0.599	S	S	*	*	S	Bend	trans	-93	-8.8	-174.4	-171.4	0	0	0	0	113
526	S	31.6	Very low	34.8	Very low	86 Å²	86	110 Å²	110	60%	0.601	61%	0.61	S	S	*	*	S	Bend	trans	-88.7	-4.4	-162	-40.3	0	0	0	0	116.5
527	Q	30.5	Very low	34.4	Very low	152 Å²	152	113.3 Å²	113.3	71%	0.71	64%	0.635	S	S	*	*	S	Bend	trans	-161.7	81.6	-169.8	-113.9	173.8	2.7	0	0	112
528	D	30.9	Very low	34.1	Very low	169 Å²	169	116.9 Å²	116.9	90%	0.904	66%	0.66	S	S	*	*			trans	-170.9	40.9	152.7	-95.2	-23.9	0	0	0	110	Y530	D528-Y530 PolarHBondContact O-N 2.96Å
529	D	30	Very low	33.9	Very low	121 Å²	121	123.2 Å²	123.2	65%	0.647	66%	0.664	S	S	*	*			trans	-93.6	92	178.4	-95.1	-30.2	0	0	0	111.3
530	Y	32.8	Very low	33.9	Very low	223 Å²	223	126.2 Å²	126.2	88%	0.875	68%	0.68	S	S	*	*			trans	-143.3	142.6	151.1	-77.6	-74.3	0	0	0	108.3	D528	D528-Y530 PolarHBondContact O-N 2.96Å
531	D	30.5	Very low	34.1	Very low	154 Å²	154	126.3 Å²	126.3	82%	0.824	68%	0.676	S	S	*	*	S	Bend	trans	62	66.8	-179.7	-60.5	-13.6	0	0	0	117.1
532	D	36.5	Very low	34.4	Very low	153 Å²	153	129.9 Å²	129.9	82%	0.818	69%	0.686	S	S	*	*				-169.6	126.2	117.3	-103.5	-22.4	0	0	0	112
533	L	33.3	Very low	34.9	Very low	153 Å²	153	129.7 Å²	129.7	80%	0.801	68%	0.681	S	S	*	*			trans	-85.2	166	171.3	-75.5	94.6	0	0	0	111.4	G535	L533-G535 PolarHBondContact O-N 3.31Å
534	D	35	Very low	35.8	Very low	173 Å²	173	127.8 Å²	127.8	93%	0.925	67%	0.671	S	S	*	*	S	Bend	trans	70.8	12.5	172.4	-56	-18	0	0	0	117.9
535	G	34.6	Very low	36.9	Very low	38 Å²	38	125.6 Å²	125.6	39%	0.392	66%	0.659	S	S	.	*			trans	-104.9	-28.3	176.3	0	0	0	0	0	117.9	L533 S537 S538	L533-G535 PolarHBondContact O-N 3.31Å; G535-S537 VanDerWaalsContact C-N 3.34Å; G535-S537 PolarHBondContact O-N 2.89Å; G535-S538 PolarHBondContact O-OG 3.13Å
536	N	30.6	Very low	38.2	Very low	100 Å²	100	120.7 Å²	120.7	54%	0.535	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	17.2	-155.6	-84.5	-6.3	0	0	0	117.6
537	S	32.2	Very low	39.5	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-11.7	178.5	-54.2	0	0	0	0	115.4	G535 H541	G535-S537 VanDerWaalsContact C-N 3.34Å; G535-S537 PolarHBondContact O-N 2.89Å; S537-H541 PolarHBondContact O-CD2 3.4Å
538	S	38.7	Very low	40.8	Very low	76 Å²	76	116.4 Å²	116.4	53%	0.531	60%	0.597	S	S	.	*	S	Bend	trans	-102	-41.9	-171.8	52.4	0	0	0	0	114.1	G535 T540 H541	G535-S538 PolarHBondContact O-OG 3.13Å; S538-T540 VanDerWaalsContact C-N 3.28Å; S538-T540 PolarHBondContact O-N 2.8Å; S538-H541 PolarHBondContact O-N 3.21Å
539	R	37	Very low	41.6	Very low	195 Å²	195	114.7 Å²	114.7	74%	0.736	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-20.8	-169.3	-66.9	178.4	177.4	154.9	0	115
540	T	38.3	Very low	42.4	Very low	97 Å²	97	111.5 Å²	111.5	60%	0.595	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-9.7	178.1	44.9	0	0	0	0	113.8	S538	S538-T540 VanDerWaalsContact C-N 3.28Å; S538-T540 PolarHBondContact O-N 2.8Å
541	H	36	Very low	42.8	Very low	111 Å²	111	106.4 Å²	106.4	51%	0.514	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.7	-34.6	-178.3	-87.5	-101.3	0	0	0	113.5	S537 S538 E543 D544 E545	S537-H541 PolarHBondContact O-CD2 3.4Å; S538-H541 PolarHBondContact O-N 3.21Å; H541-E543 PolarHBondContact O-N 2.82Å; H541-D544 PolarHBondContact O-N 3.03Å; H541-D544 VanDerWaalsContact O-N 3.13Å; H541-E545 WeakPolarHBondContact O-CG 3.45Å; H541-E545 PolarHBondContact O-N 3.35Å
542	E	47	Very low	43.4	Very low	150 Å²	150	106 Å²	106	70%	0.701	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.2	-173.4	-63.3	-174.2	-169.5	0	0	114.9
543	E	47	Very low	43.6	Very low	142 Å²	142	108.1 Å²	108.1	66%	0.664	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-24.5	178.5	-58.7	-144.9	125.3	0	0	114.1	H541	H541-E543 PolarHBondContact O-N 2.82Å
544	D	51.8	Low	44.2	Very low	64 Å²	64	106 Å²	106	34%	0.342	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.4	177.6	-93.3	-21.8	0	0	0	112.7	K269 H541 V546	K269-D544 VanDerWaalsContact CD-OD1 3.27Å; K269-D544 WeakPolarHBondContact CD-OD1 3.41Å; K269-D544 VanDerWaalsContact CD-OD2 3.26Å; K269-D544 WeakPolarHBondContact CD-OD2 3.35Å; K269-D544 WeakPolarHBondContact CE-OD2 3.34Å; K269-D544 IonicContact NZ-OD1 3.45Å; K269-D544 IonicContact NZ-OD2 2.65Å; K269-D544 PolarHBondContact NZ-OD2 3.4Å; H541-D544 PolarHBondContact O-N 3.03Å; H541-D544 VanDerWaalsContact O-N 3.13Å; D544-V546 PolarHBondContact O-N 2.91Å
545	E	58.3	Low	44.8	Very low	54 Å²	54	103 Å²	103	25%	0.252	52%	0.521	S	S	.	.			trans	-74	87	-179.7	-84.9	176.9	-153.5	0	0	113	H541 Y547 Q549 T566	H541-E545 WeakPolarHBondContact O-CG 3.45Å; H541-E545 PolarHBondContact O-N 3.35Å; E545-Y547 VanDerWaalsContact C-N 3.29Å; E545-Y547 PolarHBondContact O-N 2.75Å; E545-Q549 VanDerWaalsContact CD-NE2 3.26Å; E545-Q549 PolarHBondContact OE1-NE2 2.9Å; E545-Q549 WeakPolarHBondContact OE2-CG 3.26Å; E545-Q549 PolarHBondContact OE2-NE2 3.03Å; E545-T566 WeakPolarHBondContact O-CB 3.46Å; E545-T566 PolarHBondContact O-OG1 3Å
546	V	58.7	Low	45	Very low	19 Å²	19	106.4 Å²	106.4	12%	0.115	54%	0.536	C	S	.	.			trans	-64.8	-29	176.5	172.9	0	0	0	0	113.2	M273 I277 D544 L565 T566 F569	M273-V546 HydrophobicContact CB-CG2 4.43Å; M273-V546 HydrophobicContact CG-CB 4.39Å; M273-V546 HydrophobicContact CG-CG1 3.92Å; M273-V546 HydrophobicContact CG-CG2 4.06Å; I277-V546 HydrophobicContact CD1-CG1 4.19Å; D544-V546 PolarHBondContact O-N 2.91Å; V546-L565 HydrophobicContact CG1-CD2 3.89Å; V546-L565 WeakPolarHBondContact O-CA 3.28Å; V546-L565 WeakPolarHBondContact O-CD2 3.39Å; V546-T566 PolarHBondContact O-N 3Å; V546-T566 VanDerWaalsContact O-N 3.16Å; V546-F569 HydrophobicContact CB-CD2 4.29Å; V546-F569 HydrophobicContact CB-CG 4.46Å; V546-F569 HydrophobicContact CG1-CD1 3.9Å; V546-F569 HydrophobicContact CG1-CD2 3.96Å; V546-F569 HydrophobicContact CG1-CE1 3.9Å; V546-F569 HydrophobicContact CG1-CE2 3.94Å; V546-F569 HydrophobicContact CG1-CG 3.93Å; V546-F569 HydrophobicContact CG1-CZ 3.91Å; V546-F569 HydrophobicContact CG2-CD2 3.73Å; V546-F569 HydrophobicContact CG2-CE2 3.85Å; V546-F569 HydrophobicContact CG2-CG 4.38Å
547	Y	59.8	Low	45.7	Very low	68 Å²	68	107.8 Å²	107.8	27%	0.267	55%	0.553	S	S	.	*	B	Isolated β-bridge	trans	-114.3	140.3	176.3	-59.9	-71.3	0	0	0	110.2	M273 R280 E545 Q549 D563 Q564 L565	M273-Y547 HydrophobicContact CE-CE2 3.75Å; R280-Y547 PolarHBondContact NH1-OH 2.72Å; R280-Y547 VanDerWaalsContact NH1-OH 3.14Å; E545-Y547 VanDerWaalsContact C-N 3.29Å; E545-Y547 PolarHBondContact O-N 2.75Å; Y547-Q549 PolarHBondContact O-N 2.94Å; Y547-D563 HydrophobicContact CD1-CB 3.98Å; Y547-D563 HydrophobicContact CE1-CB 3.82Å; Y547-Q564 VanDerWaalsContact CA-O 3.27Å; Y547-Q564 WeakPolarHBondContact CA-O 3.39Å; Y547-L565 HydrophobicContact CD1-CD2 3.83Å; Y547-L565 HydrophobicContact CE1-CD2 3.68Å
548	E	58.6	Low	46.2	Very low	79 Å²	79	114.5 Å²	114.5	37%	0.369	56%	0.563	S	S	.	*			trans	-63.6	122.6	173.8	-63.1	-178.3	153.6	0	0	110	Q550 Q564	E548-Q550 VanDerWaalsContact C-N 3.31Å; E548-Q550 PolarHBondContact O-N 2.99Å; E548-Q564 PolarHBondContact N-O 2.9Å; E548-Q564 VanDerWaalsContact N-O 3.08Å
549	Q	48	Very low	46.2	Very low	134 Å²	134	113.9 Å²	113.9	63%	0.626	57%	0.568	S	S	*	*			trans	-65.9	88.3	171.9	-77.5	-158.2	53.6	0	0	110.7	E545 Y547 N551	E545-Q549 VanDerWaalsContact CD-NE2 3.26Å; E545-Q549 PolarHBondContact OE1-NE2 2.9Å; E545-Q549 WeakPolarHBondContact OE2-CG 3.26Å; E545-Q549 PolarHBondContact OE2-NE2 3.03Å; Y547-Q549 PolarHBondContact O-N 2.94Å; Q549-N551 PolarHBondContact O-N 3.18Å
550	Q	44.9	Very low	46.6	Very low	53 Å²	53	115.9 Å²	115.9	25%	0.248	58%	0.576	C	S	.	*			trans	-65.5	100	164.6	-67.8	-168.9	8.1	0	0	108.8	E548 E552	E548-Q550 VanDerWaalsContact C-N 3.31Å; E548-Q550 PolarHBondContact O-N 2.99Å; Q550-E552 PolarHBondContact O-N 2.98Å
551	N	42.9	Very low	47	Very low	116 Å²	116	119 Å²	119	62%	0.62	58%	0.581	S	S	*	*			trans	-44.5	115.7	175.3	-87.5	-31	0	0	0	110.4	Q549 F553	Q549-N551 PolarHBondContact O-N 3.18Å; N551-F553 PolarHBondContact O-N 2.67Å
552	E	42.1	Very low	48	Very low	146 Å²	146	119.5 Å²	119.5	68%	0.682	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-71.1	1.1	-157.1	-152	163.2	-143.6	0	0	114	Q550 L554 K561	Q550-E552 PolarHBondContact O-N 2.98Å; E552-L554 PolarHBondContact O-N 3.21Å; E552-K561 VanDerWaalsContact OE1-CE 3.24Å; E552-K561 WeakPolarHBondContact OE1-CE 3.34Å; E552-K561 IonicContact OE1-NZ 3.25Å; E552-K561 PolarHBondContact OE1-NZ 2.77Å
553	F	40.7	Very low	48.7	Very low	198 Å²	198	114.6 Å²	114.6	87%	0.868	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-81.5	-5.8	-167.1	-150.2	-98.6	0	0	0	115.7	N551	N551-F553 PolarHBondContact O-N 2.67Å
554	L	46.6	Very low	49.6	Very low	107 Å²	107	109.1 Å²	109.1	56%	0.56	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-127.1	8.8	-170.8	-69.9	178.4	0	0	0	115.7	E552	E552-L554 PolarHBondContact O-N 3.21Å
555	L	46.1	Very low	50.5	Low	112 Å²	112	106.2 Å²	106.2	59%	0.586	52%	0.521	S	S	*	.	S	Bend	trans	-114	129.2	173.9	-76.5	170.7	0	0	0	110.9	S557	L555-S557 PolarHBondContact O-N 3.22Å
556	P	40.1	Very low	51.3	Low	108 Å²	108	105.2 Å²	105.2	70%	0.701	52%	0.519	S	S	*	.			trans	-64.5	137.6	169.3	27.9	-33	0	0	0	109.7	R558	P556-R558 PolarHBondContact O-N 2.92Å
557	S	44.7	Very low	52.2	Low	130 Å²	130	107.6 Å²	107.6	91%	0.909	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	35.9	-167.4	-160.6	0	0	0	0	115.8	L555	L555-S557 PolarHBondContact O-N 3.22Å
558	R	43.1	Very low	53	Low	246 Å²	246	108.7 Å²	108.7	93%	0.928	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-4.9	-178.5	-75	-175.2	164.1	176.7	-5.9	114.7	P556	P556-R558 PolarHBondContact O-N 2.92Å
559	G	37.8	Very low	54.2	Low	63 Å²	63	105.3 Å²	105.3	65%	0.649	52%	0.52	S	S	*	.	S	Bend	trans	-80.6	141.1	165.7	0	0	0	0	0	111.1	K561	G559-K561 PolarHBondContact O-N 3.42Å
560	R	47	Very low	55.9	Low	236 Å²	236	99 Å²	99	89%	0.891	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-57.9	136	167.3	-74.7	-178.1	174.7	173	-1.4	108.9	Q562	R560-Q562 PolarHBondContact O-N 2.99Å; R560-Q562 VanDerWaalsContact O-N 3.1Å
561	K	46.8	Very low	57.7	Low	163 Å²	163	99.9 Å²	99.9	71%	0.709	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-51.4	122	171.4	-71.8	-158.2	172	-161.3	0	108.2	E552 G559 D563	E552-K561 VanDerWaalsContact OE1-CE 3.24Å; E552-K561 WeakPolarHBondContact OE1-CE 3.34Å; E552-K561 IonicContact OE1-NZ 3.25Å; E552-K561 PolarHBondContact OE1-NZ 2.77Å; G559-K561 PolarHBondContact O-N 3.42Å; K561-D563 PolarHBondContact O-N 2.82Å
562	Q	55.7	Low	59.7	Low	121 Å²	121	96.1 Å²	96.1	57%	0.565	47%	0.473	S	S	*	.			trans	-107.8	63.3	-161	-137.3	-170.3	43.8	0	0	108.6	R289 R560 Q564	R289-Q562 VanDerWaalsContact CZ-O 3.25Å; R289-Q562 PolarHBondContact NH1-O 3.42Å; R289-Q562 VanDerWaalsContact NH2-CB 3.34Å; R289-Q562 PolarHBondContact NH2-O 3.18Å; R560-Q562 PolarHBondContact O-N 2.99Å; R560-Q562 VanDerWaalsContact O-N 3.1Å; Q562-Q564 PolarHBondContact O-N 3.29Å
563	D	62	Low	61.8	Low	48 Å²	48	89.2 Å²	89.2	26%	0.257	44%	0.441	S	S	.	.			trans	-36.1	128.2	-174.7	-51.4	-9.5	0	0	0	113.1	R280 L286 R289 Y547 K561	R280-D563 IonicContact CZ-OD2 2.72Å; R280-D563 VanDerWaalsContact CZ-OD2 3.29Å; R280-D563 IonicContact NH1-OD2 3.82Å; R280-D563 PolarHBondContact NH1-OD2 2.94Å; R280-D563 IonicContact NH2-OD2 3.34Å; R280-D563 PolarHBondContact NH2-OD2 2.98Å; L286-D563 HydrophobicContact CD1-CB 4.39Å; R289-D563 PolarHBondContact NH1-O 3.19Å; Y547-D563 HydrophobicContact CD1-CB 3.98Å; Y547-D563 HydrophobicContact CE1-CB 3.82Å; K561-D563 PolarHBondContact O-N 2.82Å
564	Q	65.4	Low	64	Low	27 Å²	27	80.1 Å²	80.1	13%	0.126	40%	0.401	C	S	.	.			trans	-128.1	136	170	-68.3	-177.9	-91.6	0	0	108.4	R289 Y547 E548 Q562	R289-Q564 VanDerWaalsContact NH1-CG 3.31Å; Y547-Q564 VanDerWaalsContact CA-O 3.27Å; Y547-Q564 WeakPolarHBondContact CA-O 3.39Å; E548-Q564 PolarHBondContact N-O 2.9Å; E548-Q564 VanDerWaalsContact N-O 3.08Å; Q562-Q564 PolarHBondContact O-N 3.29Å
565	L	70.2	Confident	65.8	Low	3 Å²	3	76.3 Å²	76.3	2%	0.016	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-85.5	135.6	-179.4	-64.7	174.5	0	0	0	111.2	I277 L286 L287 S290 V546 Y547 F569	I277-L565 HydrophobicContact CD1-CD2 3.94Å; L286-L565 HydrophobicContact CD2-CD1 3.45Å; L286-L565 VanDerWaalsContact CD2-CD1 3.45Å; L286-L565 HydrophobicContact CD2-CD2 4.21Å; L286-L565 HydrophobicContact CD2-CG 3.58Å; L287-L565 HydrophobicContact CD2-CD1 3.94Å; S290-L565 PolarHBondContact OG-N 3.34Å; S290-L565 VanDerWaalsContact OG-N 3.1Å; V546-L565 HydrophobicContact CG1-CD2 3.89Å; V546-L565 WeakPolarHBondContact O-CA 3.28Å; V546-L565 WeakPolarHBondContact O-CD2 3.39Å; Y547-L565 HydrophobicContact CD1-CD2 3.83Å; Y547-L565 HydrophobicContact CE1-CD2 3.68Å; L565-F569 HydrophobicContact CB-CD1 4.47Å; L565-F569 HydrophobicContact CD1-CD1 4.18Å; L565-F569 HydrophobicContact CD1-CE1 4.3Å; L565-F569 HydrophobicContact CD2-CD1 3.97Å; L565-F569 HydrophobicContact CD2-CE1 4.14Å; L565-F569 HydrophobicContact CG-CD1 4.44Å
566	T	76.4	Confident	67.7	Low	32 Å²	32	72.7 Å²	72.7	20%	0.196	36%	0.363	C	S	.	.			trans	-57.4	136	173	-52.6	0	0	0	0	110.8	E545 V546 K568 F569 L570	E545-T566 WeakPolarHBondContact O-CB 3.46Å; E545-T566 PolarHBondContact O-OG1 3Å; V546-T566 PolarHBondContact O-N 3Å; V546-T566 VanDerWaalsContact O-N 3.16Å; T566-K568 VanDerWaalsContact C-N 3.27Å; T566-K568 HydrophobicContact CG2-CB 4.43Å; T566-K568 PolarHBondContact O-N 3.39Å; T566-F569 WeakPolarHBondContact O-CA 3.41Å; T566-F569 WeakPolarHBondContact O-CB 3.43Å; T566-F569 PolarHBondContact O-N 2.78Å; T566-L570 PolarHBondContact O-N 2.91Å
567	I	76.8	Confident	69.9	Low	69 Å²	69	67.5 Å²	67.5	35%	0.354	33%	0.329	S	S	.	.	H	α-helix	trans	-54.6	-40.9	-175.5	-63.7	170.5	0	0	0	112.2	I349 F569 L570 Q571	I349-I567 HydrophobicContact CD1-CG2 3.95Å; I349-I567 HydrophobicContact CG1-CG2 4.19Å; I567-F569 PolarHBondContact O-N 3.44Å; I567-L570 PolarHBondContact O-N 2.96Å; I567-Q571 WeakPolarHBondContact O-CG 3.41Å; I567-Q571 PolarHBondContact O-N 3.39Å
568	K	77.6	Confident	71.8	Confident	92 Å²	92	64.5 Å²	64.5	40%	0.4	30%	0.298	S	S	.	.	H	α-helix	trans	-56.2	-45.7	173.7	-66.7	-178.8	179	178.4	0	112	T566 Q571 K572	T566-K568 VanDerWaalsContact C-N 3.27Å; T566-K568 HydrophobicContact CG2-CB 4.43Å; T566-K568 PolarHBondContact O-N 3.39Å; K568-Q571 PolarHBondContact O-N 2.74Å; K568-K572 WeakPolarHBondContact O-CG 3.48Å; K568-K572 PolarHBondContact O-N 3.09Å
569	F	82.8	Confident	73.8	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-37.9	178.5	-176	-91	0	0	0	111.9	M273 M274 I277 V546 L565 T566 I567 Q571 K572 Y573	M273-F569 HydrophobicContact CB-CE2 4.45Å; M273-F569 HydrophobicContact CB-CZ 4.49Å; M274-F569 HydrophobicContact CE-CE2 4.43Å; M274-F569 HydrophobicContact CG-CE2 4.06Å; M274-F569 HydrophobicContact CG-CZ 3.66Å; I277-F569 HydrophobicContact CD1-CE1 3.53Å; I277-F569 HydrophobicContact CD1-CZ 3.75Å; V546-F569 HydrophobicContact CB-CD2 4.29Å; V546-F569 HydrophobicContact CB-CG 4.46Å; V546-F569 HydrophobicContact CG1-CD1 3.9Å; V546-F569 HydrophobicContact CG1-CD2 3.96Å; V546-F569 HydrophobicContact CG1-CE1 3.9Å; V546-F569 HydrophobicContact CG1-CE2 3.94Å; V546-F569 HydrophobicContact CG1-CG 3.93Å; V546-F569 HydrophobicContact CG1-CZ 3.91Å; V546-F569 HydrophobicContact CG2-CD2 3.73Å; V546-F569 HydrophobicContact CG2-CE2 3.85Å; V546-F569 HydrophobicContact CG2-CG 4.38Å; L565-F569 HydrophobicContact CB-CD1 4.47Å; L565-F569 HydrophobicContact CD1-CD1 4.18Å; L565-F569 HydrophobicContact CD1-CE1 4.3Å; L565-F569 HydrophobicContact CD2-CD1 3.97Å; L565-F569 HydrophobicContact CD2-CE1 4.14Å; L565-F569 HydrophobicContact CG-CD1 4.44Å; T566-F569 WeakPolarHBondContact O-CA 3.41Å; T566-F569 WeakPolarHBondContact O-CB 3.43Å; T566-F569 PolarHBondContact O-N 2.78Å; I567-F569 PolarHBondContact O-N 3.44Å; F569-Q571 VanDerWaalsContact C-N 3.34Å; F569-Q571 PolarHBondContact O-N 3Å; F569-K572 PolarHBondContact O-N 3.06Å; F569-Y573 HydrophobicContact CE1-CD2 4.41Å; F569-Y573 WeakPolarHBondContact O-CB 3.29Å; F569-Y573 PolarHBondContact O-N 3.37Å
570	L	84.1	Confident	76.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-41.3	173.2	179.2	58	0	0	0	111.6	L287 I291 I349 T566 I567 Y573 L574	L287-L570 HydrophobicContact CD2-CD1 3.6Å; I291-L570 HydrophobicContact CG1-CD2 4.15Å; I349-L570 HydrophobicContact CD1-CD2 3.74Å; T566-L570 PolarHBondContact O-N 2.91Å; I567-L570 PolarHBondContact O-N 2.96Å; L570-Y573 PolarHBondContact O-N 2.87Å; L570-L574 HydrophobicContact CD1-CD1 4.15Å; L570-L574 HydrophobicContact CD1-CG 4.1Å; L570-L574 HydrophobicContact CG-CD1 4.04Å; L570-L574 HydrophobicContact CG-CG 4.45Å; L570-L574 WeakPolarHBondContact O-CB 3.3Å; L570-L574 VanDerWaalsContact O-CG 3.24Å; L570-L574 WeakPolarHBondContact O-CG 3.46Å; L570-L574 PolarHBondContact O-N 2.9Å
571	Q	83	Confident	78.1	Confident	72 Å²	72	54.2 Å²	54.2	34%	0.336	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-46.7	173.1	-73.2	173.4	-30.7	0	0	112.2	H348 I349 I567 K568 F569 Y573 L574 H575	H348-Q571 PolarHBondContact O-NE2 2.8Å; I349-Q571 PolarHBondContact O-NE2 3Å; I567-Q571 WeakPolarHBondContact O-CG 3.41Å; I567-Q571 PolarHBondContact O-N 3.39Å; K568-Q571 PolarHBondContact O-N 2.74Å; F569-Q571 VanDerWaalsContact C-N 3.34Å; F569-Q571 PolarHBondContact O-N 3Å; Q571-Y573 VanDerWaalsContact C-N 3.33Å; Q571-Y573 PolarHBondContact O-N 3.26Å; Q571-L574 PolarHBondContact O-N 3.05Å; Q571-H575 PolarHBondContact O-N 3.01Å
572	K	84.4	Confident	80.3	Confident	37 Å²	37	46.6 Å²	46.6	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-47.7	172.9	-67.7	-179	-176.5	179.8	0	110.9	P264 F266 D270 M274 K568 F569 H575 V576	P264-K572 HydrophobicContact CB-CG 4.01Å; P264-K572 HydrophobicContact CG-CB 4.29Å; P264-K572 HydrophobicContact CG-CG 3.8Å; F266-K572 HydrophobicContact CE1-CB 4.24Å; D270-K572 VanDerWaalsContact OD1-CD 3.3Å; D270-K572 WeakPolarHBondContact OD1-CD 3.34Å; D270-K572 IonicContact OD1-NZ 2.7Å; D270-K572 PolarHBondContact OD1-NZ 2.96Å; D270-K572 IonicContact OD2-NZ 3.49Å; D270-K572 PolarHBondContact OD2-NZ 2.85Å; M274-K572 HydrophobicContact CE-CB 3.51Å; K568-K572 WeakPolarHBondContact O-CG 3.48Å; K568-K572 PolarHBondContact O-N 3.09Å; F569-K572 PolarHBondContact O-N 3.06Å; K572-H575 PolarHBondContact O-N 3.48Å; K572-V576 PolarHBondContact O-N 2.95Å
573	Y	87.1	Confident	81.9	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-48.7	-179.6	-169.9	-89.4	0	0	0	112.4	M274 I277 L287 F569 L570 Q571 H575 V576 A577 A643 M645	M274-Y573 HydrophobicContact CB-CD2 4.29Å; M274-Y573 HydrophobicContact CB-CE2 4.46Å; M274-Y573 HydrophobicContact CG-CD2 3.95Å; M274-Y573 HydrophobicContact SD-CD2 4.37Å; I277-Y573 HydrophobicContact CG2-CE2 4.34Å; L287-Y573 HydrophobicContact CD1-CD1 4.46Å; L287-Y573 HydrophobicContact CD1-CE1 3.86Å; L287-Y573 HydrophobicContact CD2-CD1 4.13Å; L287-Y573 HydrophobicContact CD2-CE1 4.25Å; F569-Y573 HydrophobicContact CE1-CD2 4.41Å; F569-Y573 WeakPolarHBondContact O-CB 3.29Å; F569-Y573 PolarHBondContact O-N 3.37Å; L570-Y573 PolarHBondContact O-N 2.87Å; Q571-Y573 VanDerWaalsContact C-N 3.33Å; Q571-Y573 PolarHBondContact O-N 3.26Å; Y573-H575 VanDerWaalsContact C-N 3.28Å; Y573-H575 PolarHBondContact O-N 3.24Å; Y573-V576 PolarHBondContact O-N 2.9Å; Y573-A577 HydrophobicContact CE1-CB 4.49Å; Y573-A577 VanDerWaalsContact O-CB 3.31Å; Y573-A577 WeakPolarHBondContact O-CB 3.09Å; Y573-A577 PolarHBondContact O-N 3.13Å; Y573-A643 PolarHBondContact OH-O 3.29Å; Y573-A643 VanDerWaalsContact OH-O 3.08Å; Y573-M645 HydrophobicContact CE2-CG 4.34Å
574	L	86.6	Confident	83.1	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-36.1	178	-72.5	170.5	0	0	0	112.1	L306 L309 L310 I349 L570 Q571 R578	L306-L574 HydrophobicContact CD1-CD2 4.03Å; L309-L574 HydrophobicContact CB-CD1 4.33Å; L309-L574 HydrophobicContact CB-CD2 4.19Å; L309-L574 HydrophobicContact CD1-CD1 4.13Å; L310-L574 HydrophobicContact CD2-CD2 3.65Å; L310-L574 HydrophobicContact CG-CD2 3.86Å; I349-L574 HydrophobicContact CG2-CD1 3.8Å; L570-L574 HydrophobicContact CD1-CD1 4.15Å; L570-L574 HydrophobicContact CD1-CG 4.1Å; L570-L574 HydrophobicContact CG-CD1 4.04Å; L570-L574 HydrophobicContact CG-CG 4.45Å; L570-L574 WeakPolarHBondContact O-CB 3.3Å; L570-L574 VanDerWaalsContact O-CG 3.24Å; L570-L574 WeakPolarHBondContact O-CG 3.46Å; L570-L574 PolarHBondContact O-N 2.9Å; Q571-L574 PolarHBondContact O-N 3.05Å; L574-R578 WeakPolarHBondContact O-CB 3.18Å; L574-R578 VanDerWaalsContact O-CG 3.25Å; L574-R578 WeakPolarHBondContact O-CG 3.23Å; L574-R578 PolarHBondContact O-N 2.82Å
575	H	83.7	Confident	84.5	Confident	26 Å²	26	48.5 Å²	48.5	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-53.1	175.8	-173.3	107.8	0	0	0	111.4	G263 F266 Q571 K572 Y573 A577 R578 Q579	G263-H575 VanDerWaalsContact CA-CE1 3.41Å; G263-H575 WeakPolarHBondContact CA-CE1 3.47Å; F266-H575 AromaticContact CZ-CD2 3.89Å; Q571-H575 PolarHBondContact O-N 3.01Å; K572-H575 PolarHBondContact O-N 3.48Å; Y573-H575 VanDerWaalsContact C-N 3.28Å; Y573-H575 PolarHBondContact O-N 3.24Å; H575-A577 PolarHBondContact O-N 3.01Å; H575-R578 PolarHBondContact O-N 3.17Å; H575-Q579 PolarHBondContact CD2-NE2 3.42Å; H575-Q579 PolarHBondContact NE2-NE2 3.49Å; H575-Q579 PolarHBondContact O-N 3.25Å
576	V	86.5	Confident	85.5	Confident	36 Å²	36	57.7 Å²	57.7	22%	0.218	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-39.8	-179.5	-165.2	0	0	0	0	111.1	F266 M274 K572 Y573 R578 Q579 M645	F266-V576 HydrophobicContact CD1-CG2 4.2Å; F266-V576 HydrophobicContact CE1-CG2 3.4Å; F266-V576 VanDerWaalsContact CE1-CG2 3.4Å; F266-V576 HydrophobicContact CE2-CG2 4.47Å; F266-V576 HydrophobicContact CZ-CG2 3.57Å; M274-V576 HydrophobicContact CE-CG2 4.3Å; M274-V576 HydrophobicContact SD-CB 4.48Å; M274-V576 HydrophobicContact SD-CG2 3.92Å; K572-V576 PolarHBondContact O-N 2.95Å; Y573-V576 PolarHBondContact O-N 2.9Å; V576-R578 VanDerWaalsContact C-N 3.32Å; V576-R578 PolarHBondContact O-N 3.31Å; V576-Q579 PolarHBondContact O-N 3.15Å; V576-M645 HydrophobicContact CB-CE 3.87Å; V576-M645 HydrophobicContact CG1-CE 3.57Å
577	A	86.9	Confident	86.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-36.1	178.2	0	0	0	0	0	112.8	L310 Y573 H575 Q579 L580 K642 M645	L310-A577 HydrophobicContact CD2-CB 3.4Å; L310-A577 VanDerWaalsContact CD2-CB 3.4Å; Y573-A577 HydrophobicContact CE1-CB 4.49Å; Y573-A577 VanDerWaalsContact O-CB 3.31Å; Y573-A577 WeakPolarHBondContact O-CB 3.09Å; Y573-A577 PolarHBondContact O-N 3.13Å; H575-A577 PolarHBondContact O-N 3.01Å; A577-Q579 VanDerWaalsContact C-N 3.33Å; A577-Q579 PolarHBondContact O-N 3.41Å; A577-L580 PolarHBondContact O-N 2.73Å; A577-K642 WeakPolarHBondContact O-CD 3.37Å; A577-K642 WeakPolarHBondContact O-CG 3.42Å; A577-M645 VanDerWaalsContact CA-SD 3.6Å; A577-M645 HydrophobicContact CB-SD 3.59Å; A577-M645 VanDerWaalsContact CB-SD 3.59Å
578	R	84.4	Confident	86.9	Confident	66 Å²	66	59.5 Å²	59.5	25%	0.249	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-32.3	176.1	-81.6	174.5	65.8	124	-9.6	113.6	L309 H351 R391 L574 H575 V576 L580	L309-R578 WeakPolarHBondContact O-CD 3.41Å; L309-R578 PolarHBondContact O-NH1 3.35Å; H351-R578 WeakPolarHBondContact NE2-CD 3.43Å; H351-R578 PolarHBondContact NE2-NE 2.8Å; H351-R578 PolarHBondContact NE2-NH2 3.03Å; H351-R578 VanDerWaalsContact NE2-NH2 3.15Å; R391-R578 PolarHBondContact O-NH2 3.37Å; L574-R578 WeakPolarHBondContact O-CB 3.18Å; L574-R578 VanDerWaalsContact O-CG 3.25Å; L574-R578 WeakPolarHBondContact O-CG 3.23Å; L574-R578 PolarHBondContact O-N 2.82Å; H575-R578 PolarHBondContact O-N 3.17Å; V576-R578 VanDerWaalsContact C-N 3.32Å; V576-R578 PolarHBondContact O-N 3.31Å; R578-L580 VanDerWaalsContact C-N 3.3Å; R578-L580 PolarHBondContact O-N 2.75Å
579	Q	84.8	Confident	87.6	Confident	120 Å²	120	57 Å²	57	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-69.7	-26	178.9	-63.8	-178.2	3.7	0	0	112.7	H575 V576 A577	H575-Q579 PolarHBondContact CD2-NE2 3.42Å; H575-Q579 PolarHBondContact NE2-NE2 3.49Å; H575-Q579 PolarHBondContact O-N 3.25Å; V576-Q579 PolarHBondContact O-N 3.15Å; A577-Q579 VanDerWaalsContact C-N 3.33Å; A577-Q579 PolarHBondContact O-N 3.41Å
580	L	86.3	Confident	88.1	Confident	43 Å²	43	60.2 Å²	60.2	23%	0.225	30%	0.296	C	S	.	.			trans	-70.3	137	-179.8	-65.3	179.2	0	0	0	112.2	A577 R578 P582 K642 M645	A577-L580 PolarHBondContact O-N 2.73Å; R578-L580 VanDerWaalsContact C-N 3.3Å; R578-L580 PolarHBondContact O-N 2.75Å; L580-P582 VanDerWaalsContact O-CD 3.29Å; L580-P582 WeakPolarHBondContact O-CD 3.28Å; L580-K642 VanDerWaalsContact O-CE 3.27Å; L580-K642 WeakPolarHBondContact O-CE 3.26Å; L580-M645 HydrophobicContact CD1-CB 3.89Å; L580-M645 HydrophobicContact CD1-CE 3.69Å; L580-M645 HydrophobicContact CD1-CG 4.44Å; L580-M645 HydrophobicContact CD1-SD 3.73Å; L580-M645 HydrophobicContact CG-CE 4.44Å
581	K	89	Confident	88.4	Confident	167 Å²	167	61.5 Å²	61.5	73%	0.726	30%	0.302	S	S	*	.			trans	-118.1	78.3	179.9	-63	178.8	-173.7	175.4	0	110	V313	V313-K581 HydrophobicContact CG1-CB 4.26Å; V313-K581 HydrophobicContact CG1-CG 4.33Å
582	P	91.8	Very high	88.8	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.019	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-62.6	138.5	-178.5	22.3	-32.2	0	0	0	112.5	V313 L580 T638 A641 K642 K647 V649	V313-P582 HydrophobicContact CG2-CG 4.27Å; L580-P582 VanDerWaalsContact O-CD 3.29Å; L580-P582 WeakPolarHBondContact O-CD 3.28Å; P582-T638 HydrophobicContact CG-CG2 4.45Å; P582-T638 WeakPolarHBondContact CG-O 3.4Å; P582-A641 HydrophobicContact CB-CB 3.78Å; P582-A641 HydrophobicContact CG-CB 3.93Å; P582-K642 HydrophobicContact CG-CG 4.05Å; P582-K647 WeakPolarHBondContact CA-O 3.41Å; P582-V649 HydrophobicContact CB-CG2 4.34Å
583	Q	89.5	Confident	89.2	Confident	146 Å²	146	58.6 Å²	58.6	68%	0.682	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.4	175.3	-64.2	-172.9	-1.7	0	0	111.2	K647 T648 V649	Q583-K647 PolarHBondContact N-O 2.83Å; Q583-T648 WeakPolarHBondContact O-CA 3.48Å; Q583-V649 PolarHBondContact O-N 3.36Å
584	L	88.8	Confident	89.4	Confident	50 Å²	50	63.4 Å²	63.4	26%	0.262	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.6	177.9	-175.2	65.4	0	0	0	109.9	A588 A589 L592 I634 V649	L584-A588 HydrophobicContact CD1-CB 3.76Å; L584-A589 HydrophobicContact CD2-CB 3.89Å; L584-A589 HydrophobicContact CG-CB 4.17Å; L584-L592 HydrophobicContact CD1-CD1 4.35Å; L584-I634 HydrophobicContact CD2-CG1 4.5Å; L584-V649 HydrophobicContact CD1-CB 4.02Å; L584-V649 HydrophobicContact CD1-CG1 3.98Å; L584-V649 HydrophobicContact CD1-CG2 4.28Å
585	T	93	Very high	89.5	Confident	40 Å²	40	65.9 Å²	65.9	25%	0.245	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-78.7	156.3	174.8	57.3	0	0	0	0	111.3	E587 A588 A589 T648 V649	T585-E587 VanDerWaalsContact C-N 3.27Å; T585-E587 PolarHBondContact O-N 3.01Å; T585-A588 PolarHBondContact O-N 2.8Å; T585-A588 VanDerWaalsContact OG1-CB 3.31Å; T585-A588 WeakPolarHBondContact OG1-CB 3.49Å; T585-A588 PolarHBondContact OG1-N 3.47Å; T585-A589 WeakPolarHBondContact O-CB 3.5Å; T585-A589 PolarHBondContact O-N 3.2Å; T585-T648 HydrophobicContact CG2-CG2 4.45Å; T585-V649 WeakPolarHBondContact CB-O 3.4Å; T585-V649 WeakPolarHBondContact CG2-O 3.36Å; T585-V649 PolarHBondContact OG1-O 2.86Å
586	K	91.5	Very high	89.8	Confident	195 Å²	195	65.9 Å²	65.9	85%	0.848	33%	0.329	S	S	*	.	H	α-helix	trans	-61.3	-37	176.8	-65.7	-174.3	-179.9	-178.4	0	112.2	A589 S590	K586-A589 PolarHBondContact O-N 2.92Å; K586-S590 PolarHBondContact O-N 2.98Å
587	E	91.7	Very high	89.9	Confident	139 Å²	139	67.9 Å²	67.9	65%	0.65	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-52.8	176.1	-65.6	169.9	-160	0	0	111.6	T585 A589 S590 I591	T585-E587 VanDerWaalsContact C-N 3.27Å; T585-E587 PolarHBondContact O-N 3.01Å; E587-A589 VanDerWaalsContact C-N 3.32Å; E587-A589 PolarHBondContact O-N 3Å; E587-S590 PolarHBondContact O-N 3.34Å; E587-I591 WeakPolarHBondContact O-CG1 3.5Å; E587-I591 PolarHBondContact O-N 2.86Å; E587-I591 VanDerWaalsContact O-N 3.1Å
588	A	91.4	Very high	89.9	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-41.5	176.7	0	0	0	0	0	111.5	L584 T585 S590 I591 L592 V649 A654	L584-A588 HydrophobicContact CD1-CB 3.76Å; T585-A588 PolarHBondContact O-N 2.8Å; T585-A588 VanDerWaalsContact OG1-CB 3.31Å; T585-A588 WeakPolarHBondContact OG1-CB 3.49Å; T585-A588 PolarHBondContact OG1-N 3.47Å; A588-S590 VanDerWaalsContact C-N 3.34Å; A588-S590 PolarHBondContact O-N 3.15Å; A588-I591 PolarHBondContact O-N 3.11Å; A588-L592 WeakPolarHBondContact O-CB 3.37Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3.26Å; A588-V649 HydrophobicContact CB-CG1 4Å; A588-A654 HydrophobicContact CB-CB 4.21Å
589	A	91.8	Very high	89.8	Confident	40 Å²	40	68.3 Å²	68.3	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-40.8	176.2	0	0	0	0	0	112.8	L584 T585 K586 E587 A593	L584-A589 HydrophobicContact CD2-CB 3.89Å; L584-A589 HydrophobicContact CG-CB 4.17Å; T585-A589 WeakPolarHBondContact O-CB 3.5Å; T585-A589 PolarHBondContact O-N 3.2Å; K586-A589 PolarHBondContact O-N 2.92Å; E587-A589 VanDerWaalsContact C-N 3.32Å; E587-A589 PolarHBondContact O-N 3Å; A589-A593 WeakPolarHBondContact O-CB 3.38Å; A589-A593 PolarHBondContact O-N 3.35Å; A589-A593 VanDerWaalsContact O-N 3.08Å
590	S	93.3	Very high	89.8	Confident	76 Å²	76	69 Å²	69	53%	0.531	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-44.8	176.5	-164	0	0	0	0	111.8	K586 E587 A588 A593 E594	K586-S590 PolarHBondContact O-N 2.98Å; E587-S590 PolarHBondContact O-N 3.34Å; A588-S590 VanDerWaalsContact C-N 3.34Å; A588-S590 PolarHBondContact O-N 3.15Å; S590-A593 PolarHBondContact O-N 2.9Å; S590-E594 WeakPolarHBondContact O-CB 3.47Å; S590-E594 PolarHBondContact O-N 3.36Å
591	I	90.5	Very high	89.7	Confident	27 Å²	27	69.9 Å²	69.9	14%	0.138	36%	0.362	C	S	.	.	H	α-helix	trans	-68.1	-40.6	-178.3	-66.3	168.6	0	0	0	111.3	E587 A588 A593 E594 K595 K651	E587-I591 WeakPolarHBondContact O-CG1 3.5Å; E587-I591 PolarHBondContact O-N 2.86Å; E587-I591 VanDerWaalsContact O-N 3.1Å; A588-I591 PolarHBondContact O-N 3.11Å; I591-A593 VanDerWaalsContact C-N 3.34Å; I591-E594 PolarHBondContact O-N 3.02Å; I591-K595 HydrophobicContact CG2-CG 4.37Å; I591-K595 WeakPolarHBondContact O-CB 3.31Å; I591-K595 WeakPolarHBondContact O-CG 3.29Å; I591-K595 PolarHBondContact O-N 3.49Å; I591-K651 HydrophobicContact CD1-CB 4.19Å; I591-K651 HydrophobicContact CD1-CD 3.55Å; I591-K651 HydrophobicContact CD1-CG 3.6Å
592	L	91.9	Very high	89	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-37.6	175.3	-68	-177.4	0	0	0	112	L584 A588 Y596 L630 L633 I634 A654 V658	L584-L592 HydrophobicContact CD1-CD1 4.35Å; A588-L592 WeakPolarHBondContact O-CB 3.37Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3.26Å; L592-Y596 WeakPolarHBondContact O-CB 3.37Å; L592-Y596 PolarHBondContact O-N 2.89Å; L592-L630 HydrophobicContact CB-CD1 4.42Å; L592-L633 HydrophobicContact CD1-CB 4.46Å; L592-L633 HydrophobicContact CD2-CB 4.06Å; L592-L633 HydrophobicContact CD2-CD1 4.34Å; L592-L633 HydrophobicContact CD2-CD2 4.05Å; L592-L633 HydrophobicContact CD2-CG 4.38Å; L592-I634 HydrophobicContact CD1-CG1 4.1Å; L592-A654 HydrophobicContact CD2-CB 3.72Å; L592-A654 HydrophobicContact CG-CB 3.97Å; L592-V658 HydrophobicContact CD2-CG2 4.02Å
593	A	92.4	Very high	87.9	Confident	46 Å²	46	67.8 Å²	67.8	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-67.5	-45.2	174.9	0	0	0	0	0	112	A589 S590 I591 Y596 C597	A589-A593 WeakPolarHBondContact O-CB 3.38Å; A589-A593 PolarHBondContact O-N 3.35Å; A589-A593 VanDerWaalsContact O-N 3.08Å; S590-A593 PolarHBondContact O-N 2.9Å; I591-A593 VanDerWaalsContact C-N 3.34Å; A593-Y596 PolarHBondContact O-N 3.1Å; A593-C597 PolarHBondContact O-N 2.81Å; A593-C597 PolarHBondContact O-SG 2.87Å; A593-C597 VanDerWaalsContact O-SG 3.35Å
594	E	92	Very high	86.5	Confident	101 Å²	101	63.6 Å²	63.6	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-53.1	175.8	-173.2	-168.1	131.4	0	0	111.2	S590 I591 Y596 C597 D598	S590-E594 WeakPolarHBondContact O-CB 3.47Å; S590-E594 PolarHBondContact O-N 3.36Å; I591-E594 PolarHBondContact O-N 3.02Å; E594-Y596 PolarHBondContact O-N 3.48Å; E594-C597 WeakPolarHBondContact O-CA 3.3Å; E594-C597 WeakPolarHBondContact O-CB 3.48Å; E594-C597 PolarHBondContact O-N 2.91Å; E594-C597 VanDerWaalsContact O-N 3.1Å; E594-D598 PolarHBondContact O-N 2.65Å
595	K	87.7	Confident	85.2	Confident	60 Å²	60	64.8 Å²	64.8	26%	0.261	36%	0.358	S	S	.	.	H	α-helix	trans	-70.1	-29.9	-177.2	-64	-74.7	150.4	-83.7	0	112.9	I591 D598 L599 V658	I591-K595 HydrophobicContact CG2-CG 4.37Å; I591-K595 WeakPolarHBondContact O-CB 3.31Å; I591-K595 WeakPolarHBondContact O-CG 3.29Å; I591-K595 PolarHBondContact O-N 3.49Å; K595-D598 WeakPolarHBondContact CD-OD2 3.44Å; K595-D598 IonicContact NZ-OD2 3.57Å; K595-D598 PolarHBondContact NZ-OD2 2.86Å; K595-D598 PolarHBondContact O-N 2.66Å; K595-L599 WeakPolarHBondContact O-CB 3.43Å; K595-L599 VanDerWaalsContact O-CG 3.25Å; K595-L599 WeakPolarHBondContact O-CG 3.38Å; K595-L599 PolarHBondContact O-N 3.16Å; K595-V658 HydrophobicContact CB-CG1 4.1Å; K595-V658 HydrophobicContact CB-CG2 3.92Å; K595-V658 HydrophobicContact CD-CG1 4.38Å; K595-V658 HydrophobicContact CG-CG1 4.26Å; K595-V658 HydrophobicContact CG-CG2 4.29Å
596	Y	89.7	Confident	83.4	Confident	26 Å²	26	66.6 Å²	66.6	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-65.3	-40.5	168.7	170.1	-101.1	0	0	0	112	L592 A593 E594 R600 I625 A627 S629 L630	L592-Y596 WeakPolarHBondContact O-CB 3.37Å; L592-Y596 PolarHBondContact O-N 2.89Å; A593-Y596 PolarHBondContact O-N 3.1Å; E594-Y596 PolarHBondContact O-N 3.48Å; Y596-R600 WeakPolarHBondContact O-CB 3.3Å; Y596-R600 PolarHBondContact O-N 2.63Å; Y596-I625 HydrophobicContact CE2-CG2 4.12Å; Y596-A627 WeakPolarHBondContact OH-CA 3.2Å; Y596-S629 WeakPolarHBondContact CE2-OG 3.38Å; Y596-L630 HydrophobicContact CD1-CD2 4.39Å; Y596-L630 HydrophobicContact CD2-CB 3.96Å; Y596-L630 HydrophobicContact CE2-CB 4.21Å; Y596-L630 HydrophobicContact CG-CB 4.15Å; Y596-L630 HydrophobicContact CG-CD1 4.27Å
597	C	89.5	Confident	81.5	Confident	79 Å²	79	62.8 Å²	62.8	53%	0.534	36%	0.357	S	S	.	.	H	α-helix	trans	-63.4	-42.5	173.1	-73.1	0	0	0	0	112	A593 E594 R600 A601	A593-C597 PolarHBondContact O-N 2.81Å; A593-C597 PolarHBondContact O-SG 2.87Å; A593-C597 VanDerWaalsContact O-SG 3.35Å; E594-C597 WeakPolarHBondContact O-CA 3.3Å; E594-C597 WeakPolarHBondContact O-CB 3.48Å; E594-C597 PolarHBondContact O-N 2.91Å; E594-C597 VanDerWaalsContact O-N 3.1Å; C597-R600 PolarHBondContact O-N 2.74Å; C597-A601 WeakPolarHBondContact O-CB 3.33Å; C597-A601 PolarHBondContact O-N 3.49Å
598	D	86.7	Confident	79.3	Confident	64 Å²	64	64.4 Å²	64.4	34%	0.342	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-52.9	176.7	-64.5	-27.9	0	0	0	112	E594 K595 R600 A601 Q602	E594-D598 PolarHBondContact O-N 2.65Å; K595-D598 WeakPolarHBondContact CD-OD2 3.44Å; K595-D598 IonicContact NZ-OD2 3.57Å; K595-D598 PolarHBondContact NZ-OD2 2.86Å; K595-D598 PolarHBondContact O-N 2.66Å; D598-R600 PolarHBondContact O-N 2.77Å; D598-A601 PolarHBondContact O-N 2.87Å; D598-A601 VanDerWaalsContact O-N 3.13Å; D598-Q602 VanDerWaalsContact O-CG 3.3Å; D598-Q602 WeakPolarHBondContact O-CG 3.4Å; D598-Q602 PolarHBondContact O-N 2.87Å
599	L	82.8	Confident	76.9	Confident	10 Å²	10	68.9 Å²	68.9	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-57.2	-36.7	-178.8	-73	169.8	0	0	0	112	K595 E603 R621 I625 I661 L665 F666	K595-L599 WeakPolarHBondContact O-CB 3.43Å; K595-L599 VanDerWaalsContact O-CG 3.25Å; K595-L599 WeakPolarHBondContact O-CG 3.38Å; K595-L599 PolarHBondContact O-N 3.16Å; L599-E603 PolarHBondContact O-N 3.49Å; L599-R621 PolarHBondContact O-NH1 3.22Å; L599-I625 HydrophobicContact CB-CD1 4.02Å; L599-I625 WeakPolarHBondContact O-CD1 3.44Å; L599-I661 HydrophobicContact CD1-CG2 4.43Å; L599-L665 HydrophobicContact CD1-CD1 4.39Å; L599-L665 HydrophobicContact CD2-CD1 4.24Å; L599-F666 HydrophobicContact CD2-CE2 3.61Å; L599-F666 HydrophobicContact CD2-CZ 3.87Å
600	R	83.9	Confident	74.4	Confident	134 Å²	134	77.5 Å²	77.5	51%	0.506	42%	0.422	S	S	.	.	H	α-helix	trans	-81	-31.1	178.2	-163.1	177.6	-173.7	-151.6	-0.5	113.5	Y596 C597 D598 Q602 E603 A604 I625	Y596-R600 WeakPolarHBondContact O-CB 3.3Å; Y596-R600 PolarHBondContact O-N 2.63Å; C597-R600 PolarHBondContact O-N 2.74Å; D598-R600 PolarHBondContact O-N 2.77Å; R600-Q602 VanDerWaalsContact C-N 3.33Å; R600-E603 WeakPolarHBondContact O-CB 3.48Å; R600-E603 PolarHBondContact O-N 3.26Å; R600-A604 PolarHBondContact O-N 3.23Å; R600-I625 HydrophobicContact CB-CG2 4.27Å; R600-I625 HydrophobicContact CG-CG2 4.41Å
601	A	84.7	Confident	71.8	Confident	62 Å²	62	79.8 Å²	79.8	51%	0.512	43%	0.434	S	S	.	.	H	α-helix	trans	-65.5	-39.1	172.6	0	0	0	0	0	111.3	C597 D598 E603 A604 S605	C597-A601 WeakPolarHBondContact O-CB 3.33Å; C597-A601 PolarHBondContact O-N 3.49Å; D598-A601 PolarHBondContact O-N 2.87Å; D598-A601 VanDerWaalsContact O-N 3.13Å; A601-E603 PolarHBondContact O-N 2.77Å; A601-A604 PolarHBondContact O-N 2.83Å; A601-S605 PolarHBondContact O-N 3.32Å; A601-S605 VanDerWaalsContact O-N 3.13Å
602	Q	74.3	Confident	69.1	Low	79 Å²	79	85.5 Å²	85.5	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-61.7	-41.7	175.2	-66.2	163.3	-1.9	0	0	111.7	D598 R600 A604 S605 E606 R621	D598-Q602 VanDerWaalsContact O-CG 3.3Å; D598-Q602 WeakPolarHBondContact O-CG 3.4Å; D598-Q602 PolarHBondContact O-N 2.87Å; R600-Q602 VanDerWaalsContact C-N 3.33Å; Q602-A604 VanDerWaalsContact C-N 3.33Å; Q602-A604 PolarHBondContact O-N 3.04Å; Q602-S605 WeakPolarHBondContact CA-OG 3.23Å; Q602-S605 PolarHBondContact O-N 3.4Å; Q602-S605 PolarHBondContact O-OG 3.49Å; Q602-E606 PolarHBondContact O-N 2.97Å; Q602-E606 VanDerWaalsContact O-N 3.12Å; Q602-R621 VanDerWaalsContact CB-NH2 3.3Å
603	E	68	Low	66.4	Low	47 Å²	47	97.1 Å²	97.1	22%	0.22	51%	0.509	C	S	.	.	H	α-helix	trans	-58	-41.6	175.2	-171.3	-179.4	-123.3	0	0	112.4	L599 R600 A601 T607 I625	L599-E603 PolarHBondContact O-N 3.49Å; R600-E603 WeakPolarHBondContact O-CB 3.48Å; R600-E603 PolarHBondContact O-N 3.26Å; A601-E603 PolarHBondContact O-N 2.77Å; E603-T607 WeakPolarHBondContact O-CB 3.36Å; E603-T607 PolarHBondContact O-N 2.94Å; E603-T607 PolarHBondContact O-OG1 2.65Å; E603-I625 HydrophobicContact CB-CD1 4.45Å; E603-I625 WeakPolarHBondContact OE1-CB 3.17Å; E603-I625 PolarHBondContact OE1-N 2.83Å
604	A	61.8	Low	63.5	Low	59 Å²	59	100.6 Å²	100.6	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-67.4	-40.2	177	0	0	0	0	0	112.8	R600 A601 Q602 T607 M608	R600-A604 PolarHBondContact O-N 3.23Å; A601-A604 PolarHBondContact O-N 2.83Å; Q602-A604 VanDerWaalsContact C-N 3.33Å; Q602-A604 PolarHBondContact O-N 3.04Å; A604-T607 PolarHBondContact O-N 2.95Å; A604-M608 PolarHBondContact O-N 2.95Å
605	S	60.2	Low	60.8	Low	75 Å²	75	103 Å²	103	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-35.2	179.5	62.7	0	0	0	0	113.7	A601 Q602 S609	A601-S605 PolarHBondContact O-N 3.32Å; A601-S605 VanDerWaalsContact O-N 3.13Å; Q602-S605 WeakPolarHBondContact CA-OG 3.23Å; Q602-S605 PolarHBondContact O-N 3.4Å; Q602-S605 PolarHBondContact O-OG 3.49Å; S605-S609 PolarHBondContact O-OG 3.41Å
606	E	55.1	Low	58.3	Low	78 Å²	78	108.5 Å²	108.5	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-67.6	-44.4	173.4	-72.9	167.4	-150.1	0	0	110.9	Q602 M608 S609 R621	Q602-E606 PolarHBondContact O-N 2.97Å; Q602-E606 VanDerWaalsContact O-N 3.12Å; E606-M608 PolarHBondContact O-N 3.21Å; E606-S609 PolarHBondContact O-N 2.95Å; E606-R621 VanDerWaalsContact CD-NH2 3.33Å; E606-R621 IonicContact OE1-CZ 3.83Å; E606-R621 IonicContact OE1-NE 3.34Å; E606-R621 PolarHBondContact OE1-NE 3.34Å; E606-R621 IonicContact OE1-NH2 2.66Å; E606-R621 PolarHBondContact OE1-NH2 2.83Å; E606-R621 IonicContact OE2-CZ 3.8Å; E606-R621 IonicContact OE2-NE 2.75Å; E606-R621 PolarHBondContact OE2-NE 3.44Å; E606-R621 IonicContact OE2-NH2 2.68Å; E606-R621 PolarHBondContact OE2-NH2 3.45Å
607	T	51.8	Low	55.9	Low	115 Å²	115	115 Å²	115	71%	0.706	60%	0.6	S	S	*	*	H	α-helix	trans	-67.5	-29.1	-173.9	-55.3	0	0	0	0	113.9	E603 A604	E603-T607 WeakPolarHBondContact O-CB 3.36Å; E603-T607 PolarHBondContact O-N 2.94Å; E603-T607 PolarHBondContact O-OG1 2.65Å; A604-T607 PolarHBondContact O-N 2.95Å
608	M	45.6	Very low	53.6	Low	173 Å²	173	120.4 Å²	120.4	85%	0.852	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-5.7	178	-81.8	-166.7	168.9	0	0	114.9	A604 E606 R610	A604-M608 PolarHBondContact O-N 2.95Å; E606-M608 PolarHBondContact O-N 3.21Å; M608-R610 PolarHBondContact O-N 3.1Å; M608-R610 VanDerWaalsContact O-N 3.16Å
609	S	42	Very low	52	Low	93 Å²	93	121.6 Å²	121.6	65%	0.65	61%	0.613	S	S	*	*	S	Bend	trans	-75.8	105.6	-178.8	-70.3	0	0	0	0	111.4	S605 E606	S605-S609 PolarHBondContact O-OG 3.41Å; E606-S609 PolarHBondContact O-N 2.95Å
610	R	37.8	Very low	50.7	Low	222 Å²	222	125 Å²	125	84%	0.838	63%	0.626	S	S	*	*			trans	-50.4	144.7	-177.4	-76.9	178.7	169.6	175	-4	113	M608 N612	M608-R610 PolarHBondContact O-N 3.1Å; M608-R610 VanDerWaalsContact O-N 3.16Å; R610-N612 PolarHBondContact O-N 2.92Å
611	P	39.1	Very low	49.6	Very low	123 Å²	123	120.3 Å²	120.3	80%	0.799	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	6.7	-163.1	28.3	-38	0	0	0	117.3
612	N	33.9	Very low	48.7	Very low	148 Å²	148	117.5 Å²	117.5	79%	0.791	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	11	-169.4	-75.5	25.7	0	0	0	115	R610	R610-N612 PolarHBondContact O-N 2.92Å
613	R	36.1	Very low	48.5	Very low	246 Å²	246	114.6 Å²	114.6	93%	0.928	57%	0.571	S	S	*	*			trans	-95.8	98.2	164.9	-92.7	-172.3	166.8	-179.7	-4.9	110.7
614	V	31.3	Very low	48.7	Very low	118 Å²	118	114.9 Å²	114.9	72%	0.715	58%	0.576	S	S	*	*			trans	-66.2	163.3	163.4	-176.2	0	0	0	0	108.9
615	E	33.9	Very low	49.5	Very low	152 Å²	152	112.6 Å²	112.6	71%	0.71	56%	0.556	S	S	*	*	S	Bend	trans	79.7	111.6	173.6	-78.5	138	-123.7	0	0	120.2
616	Q	36.7	Very low	50.7	Low	175 Å²	175	111.4 Å²	111.4	82%	0.818	55%	0.546	S	S	*	.	S	Bend	trans	90.1	-11.6	130	-65.7	-179.7	38.7	0	0	123
617	N	39.1	Very low	52.2	Low	163 Å²	163	111.1 Å²	111.1	87%	0.872	56%	0.557	S	S	*	*			trans	-131.8	74.1	173.1	-114.5	-27	0	0	0	114.4	M619	N617-M619 PolarHBondContact O-N 3.11Å
618	R	41	Very low	53.8	Low	192 Å²	192	107.1 Å²	107.1	73%	0.725	53%	0.528	S	S	*	.			trans	-88	85.8	179.3	-84.5	-177.5	168.1	175.1	-1.3	112.1	R620	R618-R620 HydrophobicContact CB-CG 4.21Å; R618-R620 PolarHBondContact O-N 2.79Å
619	M	52.3	Low	55.8	Low	89 Å²	89	100 Å²	100	44%	0.438	50%	0.496	S	S	.	.			trans	-66.6	70.9	168.9	-169.1	68.9	103.6	0	0	111.5	N617 R621 F666	N617-M619 PolarHBondContact O-N 3.11Å; M619-R621 VanDerWaalsContact C-N 3.3Å; M619-R621 PolarHBondContact O-N 3.36Å; M619-F666 HydrophobicContact CE-CB 4.28Å; M619-F666 HydrophobicContact CE-CD1 3.72Å; M619-F666 HydrophobicContact CE-CE1 4.41Å; M619-F666 HydrophobicContact CE-CG 4.17Å; M619-F666 HydrophobicContact CG-CD1 3.83Å; M619-F666 HydrophobicContact CG-CE1 4.44Å; M619-F666 HydrophobicContact SD-CB 3.95Å; M619-F666 HydrophobicContact SD-CD1 3.72Å; M619-F666 HydrophobicContact SD-CG 4.24Å
620	R	55.4	Low	58.2	Low	83 Å²	83	98.1 Å²	98.1	31%	0.313	48%	0.478	S	S	.	.			trans	-60.3	70.3	179.9	58.8	72.7	137.3	171.5	-7.7	114.6	Y450 K451 P453 R618	Y450-R620 PolarHBondContact O-NH1 2.96Å; Y450-R620 PolarHBondContact O-NH2 3.04Å; K451-R620 PolarHBondContact O-NH1 2.86Å; P453-R620 WeakPolarHBondContact CG-O 3.09Å; R618-R620 HydrophobicContact CB-CG 4.21Å; R618-R620 PolarHBondContact O-N 2.79Å
621	R	61.7	Low	60.6	Low	34 Å²	34	91.2 Å²	91.2	13%	0.128	46%	0.455	C	S	.	.			trans	-48	143.7	175.9	-64.1	-173.7	-175.7	-127.1	-8.3	113.1	L599 Q602 E606 M619 I625	L599-R621 PolarHBondContact O-NH1 3.22Å; Q602-R621 VanDerWaalsContact CB-NH2 3.3Å; E606-R621 VanDerWaalsContact CD-NH2 3.33Å; E606-R621 IonicContact OE1-CZ 3.83Å; E606-R621 IonicContact OE1-NE 3.34Å; E606-R621 PolarHBondContact OE1-NE 3.34Å; E606-R621 IonicContact OE1-NH2 2.66Å; E606-R621 PolarHBondContact OE1-NH2 2.83Å; E606-R621 IonicContact OE2-CZ 3.8Å; E606-R621 IonicContact OE2-NE 2.75Å; E606-R621 PolarHBondContact OE2-NE 3.44Å; E606-R621 IonicContact OE2-NH2 2.68Å; E606-R621 PolarHBondContact OE2-NH2 3.45Å; M619-R621 VanDerWaalsContact C-N 3.3Å; M619-R621 PolarHBondContact O-N 3.36Å; R621-I625 VanDerWaalsContact NH1-CD1 3.26Å
622	T	66.3	Low	63.1	Low	3 Å²	3	85.6 Å²	85.6	2%	0.018	42%	0.419	C	S	.	.	S	Bend	trans	-97.5	-28.8	-172.5	54.9	0	0	0	0	114.8	I472 V664 L665 K667	I472-T622 HydrophobicContact CD1-CG2 3.68Å; T622-V664 PolarHBondContact OG1-O 2.7Å; T622-L665 PolarHBondContact N-O 3.02Å; T622-K667 HydrophobicContact CG2-CB 4.28Å
623	Q	69.8	Low	65.8	Low	19 Å²	19	78.6 Å²	78.6	9%	0.089	38%	0.381	C	S	.	.	S	Bend	trans	-141	147.3	-177.9	-64.6	179	-85.2	0	0	110.7	L464 F467 L470 L665	L464-Q623 PolarHBondContact O-NE2 3.18Å; F467-Q623 PolarHBondContact O-NE2 3.11Å; L470-Q623 HydrophobicContact CB-CG 4.12Å; L470-Q623 HydrophobicContact CD1-CG 4.08Å; Q623-L665 HydrophobicContact CB-CD2 4.17Å
624	P	72.1	Confident	68.5	Low	52 Å²	52	69.2 Å²	69.2	34%	0.338	35%	0.349	S	S	.	.			trans	-76.2	142.1	174.1	31.3	-34.6	0	0	0	112	T626	P624-T626 PolarHBondContact O-N 2.95Å
625	I	79.1	Confident	71.4	Confident	11 Å²	11	64 Å²	64	6%	0.056	32%	0.317	C	S	.	.			trans	-86.6	101.2	-176.4	-59.7	175.2	0	0	0	110.5	Y596 L599 R600 E603 R621 L665	Y596-I625 HydrophobicContact CE2-CG2 4.12Å; L599-I625 HydrophobicContact CB-CD1 4.02Å; L599-I625 WeakPolarHBondContact O-CD1 3.44Å; R600-I625 HydrophobicContact CB-CG2 4.27Å; R600-I625 HydrophobicContact CG-CG2 4.41Å; E603-I625 HydrophobicContact CB-CD1 4.45Å; E603-I625 WeakPolarHBondContact OE1-CB 3.17Å; E603-I625 PolarHBondContact OE1-N 2.83Å; R621-I625 VanDerWaalsContact NH1-CD1 3.26Å; I625-L665 HydrophobicContact CD1-CD1 4.19Å; I625-L665 HydrophobicContact CG1-CD1 4.36Å
626	T	83.9	Confident	74.3	Confident	50 Å²	50	56.9 Å²	56.9	31%	0.307	28%	0.283	S	S	.	.			trans	-104.2	167.1	174.6	74.2	0	0	0	0	111.4	P624 R628 S629	P624-T626 PolarHBondContact O-N 2.95Å; T626-R628 PolarHBondContact O-N 2.89Å; T626-R628 WeakPolarHBondContact OG1-CB 3.35Å; T626-R628 PolarHBondContact OG1-N 3.21Å; T626-S629 PolarHBondContact O-N 2.74Å; T626-S629 PolarHBondContact O-OG 3.26Å
627	A	86.3	Confident	76.9	Confident	72 Å²	72	48.5 Å²	48.5	60%	0.595	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.9	174	0	0	0	0	0	113.9	Y596 S629 L630	Y596-A627 WeakPolarHBondContact OH-CA 3.2Å; A627-S629 VanDerWaalsContact C-N 3.3Å; A627-S629 PolarHBondContact O-N 3.29Å; A627-L630 PolarHBondContact O-N 3.47Å
628	R	87.1	Confident	79.5	Confident	31 Å²	31	41 Å²	41	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-30.4	173.7	-159.9	-160	-162.1	92.9	-6.6	112.6	E415 S465 T626 L630 E631 T632	E415-R628 VanDerWaalsContact CD-NH1 3.26Å; E415-R628 IonicContact OE1-CZ 3.47Å; E415-R628 IonicContact OE1-NH1 3.81Å; E415-R628 PolarHBondContact OE1-NH1 3.27Å; E415-R628 IonicContact OE1-NH2 3.76Å; E415-R628 IonicContact OE2-CZ 3.5Å; E415-R628 IonicContact OE2-NH1 2.97Å; E415-R628 PolarHBondContact OE2-NH1 3.27Å; E415-R628 IonicContact OE2-NH2 3.84Å; E415-R628 PolarHBondContact OE2-NH2 2.89Å; S465-R628 WeakPolarHBondContact O-CD 3.26Å; S465-R628 PolarHBondContact O-NE 2.98Å; T626-R628 PolarHBondContact O-N 2.89Å; T626-R628 WeakPolarHBondContact OG1-CB 3.35Å; T626-R628 PolarHBondContact OG1-N 3.21Å; R628-L630 PolarHBondContact O-N 2.97Å; R628-E631 CarbonylContact O-C 3.52Å; R628-E631 WeakPolarHBondContact O-CA 3.46Å; R628-E631 VanDerWaalsContact O-CB 3.29Å; R628-E631 WeakPolarHBondContact O-CB 3.45Å; R628-E631 PolarHBondContact O-N 3.29Å; R628-T632 PolarHBondContact O-N 3.42Å; R628-T632 PolarHBondContact O-OG1 3.1Å
629	S	87.5	Confident	81.9	Confident	24 Å²	24	31.8 Å²	31.8	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-25.8	-179.9	69.9	0	0	0	0	112.4	Y596 T626 A627 T632 L633	Y596-S629 WeakPolarHBondContact CE2-OG 3.38Å; T626-S629 PolarHBondContact O-N 2.74Å; T626-S629 PolarHBondContact O-OG 3.26Å; A627-S629 VanDerWaalsContact C-N 3.3Å; A627-S629 PolarHBondContact O-N 3.29Å; S629-T632 WeakPolarHBondContact O-CB 3.12Å; S629-T632 PolarHBondContact O-N 3.07Å; S629-L633 WeakPolarHBondContact O-CG 3.33Å; S629-L633 PolarHBondContact O-N 2.87Å
630	L	91	Very high	83.8	Confident	53 Å²	53	28.3 Å²	28.3	28%	0.277	15%	0.152	S	C	.	.	H	α-helix	trans	-68.5	-36.9	168.9	-176.6	62.1	0	0	0	111.9	L592 Y596 A627 R628 L633 I634	L592-L630 HydrophobicContact CB-CD1 4.42Å; Y596-L630 HydrophobicContact CD1-CD2 4.39Å; Y596-L630 HydrophobicContact CD2-CB 3.96Å; Y596-L630 HydrophobicContact CE2-CB 4.21Å; Y596-L630 HydrophobicContact CG-CB 4.15Å; Y596-L630 HydrophobicContact CG-CD1 4.27Å; A627-L630 PolarHBondContact O-N 3.47Å; R628-L630 PolarHBondContact O-N 2.97Å; L630-L633 HydrophobicContact CD1-CD1 4.43Å; L630-I634 WeakPolarHBondContact O-CD1 3.29Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 3.06Å; L630-I634 VanDerWaalsContact O-N 3.16Å
631	E	89.1	Confident	85.5	Confident	77 Å²	77	24.3 Å²	24.3	36%	0.36	14%	0.137	S	C	.	.	H	α-helix	trans	-64.8	-42.7	169.9	-54.9	-167.8	143.6	0	0	111.3	R628 I634 R635	R628-E631 CarbonylContact O-C 3.52Å; R628-E631 WeakPolarHBondContact O-CA 3.46Å; R628-E631 VanDerWaalsContact O-CB 3.29Å; R628-E631 WeakPolarHBondContact O-CB 3.45Å; R628-E631 PolarHBondContact O-N 3.29Å; E631-I634 CarbonylContact O-C 3.5Å; E631-I634 WeakPolarHBondContact O-CB 3.47Å; E631-I634 PolarHBondContact O-N 3.43Å; E631-I634 VanDerWaalsContact O-N 3.12Å; E631-R635 WeakPolarHBondContact O-CG 3.35Å; E631-R635 PolarHBondContact O-N 3.4Å; E631-R635 IonicContact OE2-CZ 3.29Å; E631-R635 IonicContact OE2-NH1 2.8Å; E631-R635 IonicContact OE2-NH2 2.65Å; E631-R635 PolarHBondContact OE2-NH2 2.83Å
632	T	90.6	Very high	86.9	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-59.8	-46.4	176	-58.2	0	0	0	0	111.3	D468 R628 S629 I634 R635 L636 I661	D468-T632 HydrophobicContact CB-CG2 3.63Å; D468-T632 PolarHBondContact OD1-OG1 3.05Å; R628-T632 PolarHBondContact O-N 3.42Å; R628-T632 PolarHBondContact O-OG1 3.1Å; S629-T632 WeakPolarHBondContact O-CB 3.12Å; S629-T632 PolarHBondContact O-N 3.07Å; T632-I634 VanDerWaalsContact C-N 3.25Å; T632-I634 PolarHBondContact O-N 3.19Å; T632-R635 WeakPolarHBondContact O-CB 3.2Å; T632-R635 PolarHBondContact O-N 2.82Å; T632-R635 VanDerWaalsContact O-N 3.08Å; T632-L636 HydrophobicContact CG2-CD1 3.99Å; T632-L636 HydrophobicContact CG2-CG 4.21Å; T632-L636 WeakPolarHBondContact O-CG 3.34Å; T632-L636 PolarHBondContact O-N 3.1Å; T632-I661 HydrophobicContact CG2-CD1 3.93Å
633	L	92.1	Very high	88	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-52.6	-43.3	171.7	-81.6	172.9	0	0	0	112	L592 S629 L630 S637 A657 V658 I661	L592-L633 HydrophobicContact CD1-CB 4.46Å; L592-L633 HydrophobicContact CD2-CB 4.06Å; L592-L633 HydrophobicContact CD2-CD1 4.34Å; L592-L633 HydrophobicContact CD2-CD2 4.05Å; L592-L633 HydrophobicContact CD2-CG 4.38Å; S629-L633 WeakPolarHBondContact O-CG 3.33Å; S629-L633 PolarHBondContact O-N 2.87Å; L630-L633 HydrophobicContact CD1-CD1 4.43Å; L633-S637 VanDerWaalsContact O-CB 3.25Å; L633-S637 WeakPolarHBondContact O-CB 3.32Å; L633-S637 PolarHBondContact O-N 2.63Å; L633-S637 PolarHBondContact O-OG 2.77Å; L633-A657 HydrophobicContact CD2-CB 4.5Å; L633-V658 HydrophobicContact CD2-CB 4.47Å; L633-V658 HydrophobicContact CD2-CG2 3.67Å; L633-I661 HydrophobicContact CD2-CD1 3.56Å; L633-I661 HydrophobicContact CD2-CG1 4.34Å; L633-I661 HydrophobicContact CG-CD1 3.7Å
634	I	92.6	Very high	88.9	Confident	49 Å²	49	25.6 Å²	25.6	25%	0.251	14%	0.141	S	C	.	.	H	α-helix	trans	-69.4	-39.6	177.3	-65.9	164	0	0	0	111.5	L584 L592 L630 E631 T632 T638	L584-I634 HydrophobicContact CD2-CG1 4.5Å; L592-I634 HydrophobicContact CD1-CG1 4.1Å; L630-I634 WeakPolarHBondContact O-CD1 3.29Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.45Å; L630-I634 PolarHBondContact O-N 3.06Å; L630-I634 VanDerWaalsContact O-N 3.16Å; E631-I634 CarbonylContact O-C 3.5Å; E631-I634 WeakPolarHBondContact O-CB 3.47Å; E631-I634 PolarHBondContact O-N 3.43Å; E631-I634 VanDerWaalsContact O-N 3.12Å; T632-I634 VanDerWaalsContact C-N 3.25Å; T632-I634 PolarHBondContact O-N 3.19Å; I634-T638 WeakPolarHBondContact O-CB 3.3Å; I634-T638 WeakPolarHBondContact O-CG2 3.43Å; I634-T638 PolarHBondContact O-N 3.08Å; I634-T638 PolarHBondContact O-OG1 3Å
635	R	92.6	Very high	89.6	Confident	10 Å²	10	25 Å²	25	4%	0.038	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-50.9	174.7	-70.2	175	-171.8	113.2	17.4	111	R324 D326 I327 D468 E631 T632 T638 A639	R324-R635 PolarHBondContact O-NE 2.84Å; R324-R635 PolarHBondContact O-NH2 2.98Å; D326-R635 WeakPolarHBondContact O-CD 2.76Å; I327-R635 HydrophobicContact CD1-CB 4.25Å; I327-R635 HydrophobicContact CG1-CB 3.83Å; D468-R635 IonicContact OD1-CZ 3.75Å; D468-R635 IonicContact OD1-NH1 2.79Å; D468-R635 PolarHBondContact OD1-NH1 2.96Å; E631-R635 WeakPolarHBondContact O-CG 3.35Å; E631-R635 PolarHBondContact O-N 3.4Å; E631-R635 IonicContact OE2-CZ 3.29Å; E631-R635 IonicContact OE2-NH1 2.8Å; E631-R635 IonicContact OE2-NH2 2.65Å; E631-R635 PolarHBondContact OE2-NH2 2.83Å; T632-R635 WeakPolarHBondContact O-CB 3.2Å; T632-R635 PolarHBondContact O-N 2.82Å; T632-R635 VanDerWaalsContact O-N 3.08Å; R635-T638 PolarHBondContact O-N 3.45Å; R635-T638 PolarHBondContact O-OG1 2.91Å; R635-A639 WeakPolarHBondContact O-CB 3.28Å; R635-A639 PolarHBondContact O-N 3.34Å
636	L	92.8	Very high	90	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-61.8	-47.6	178	-62.6	173.5	0	0	0	111.5	L307 I327 L469 T632 T638 A639 H640 A657 L660 I661	L307-L636 HydrophobicContact CB-CD2 4.4Å; L307-L636 HydrophobicContact CD1-CD2 3.83Å; I327-L636 HydrophobicContact CD1-CD2 4.1Å; L469-L636 HydrophobicContact CD1-CD2 4Å; L469-L636 HydrophobicContact CD2-CD1 4.15Å; T632-L636 HydrophobicContact CG2-CD1 3.99Å; T632-L636 HydrophobicContact CG2-CG 4.21Å; T632-L636 WeakPolarHBondContact O-CG 3.34Å; T632-L636 PolarHBondContact O-N 3.1Å; L636-T638 VanDerWaalsContact C-N 3.29Å; L636-T638 PolarHBondContact O-N 3.47Å; L636-A639 PolarHBondContact O-N 2.7Å; L636-H640 WeakPolarHBondContact O-CB 3.43Å; L636-H640 PolarHBondContact O-N 3.03Å; L636-A657 HydrophobicContact CB-CB 3.81Å; L636-L660 HydrophobicContact CD1-CD2 4.37Å; L636-I661 HydrophobicContact CD1-CD1 3.8Å; L636-I661 HydrophobicContact CD1-CG1 3.66Å
637	S	93.4	Very high	90.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-36	178.9	-56.6	0	0	0	0	112.5	L633 A641 A657	L633-S637 VanDerWaalsContact O-CB 3.25Å; L633-S637 WeakPolarHBondContact O-CB 3.32Å; L633-S637 PolarHBondContact O-N 2.63Å; L633-S637 PolarHBondContact O-OG 2.77Å; S637-A641 WeakPolarHBondContact O-CB 3.33Å; S637-A641 PolarHBondContact O-N 2.88Å; S637-A641 VanDerWaalsContact O-N 3.11Å; S637-A657 WeakPolarHBondContact OG-CB 3.23Å
638	T	93	Very high	90.5	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-74.7	-37.2	175	51.7	0	0	0	0	112.6	V313 P582 I634 R635 L636 A641 K642 V649	V313-T638 HydrophobicContact CG2-CG2 4.49Å; P582-T638 HydrophobicContact CG-CG2 4.45Å; P582-T638 WeakPolarHBondContact CG-O 3.4Å; I634-T638 WeakPolarHBondContact O-CB 3.3Å; I634-T638 WeakPolarHBondContact O-CG2 3.43Å; I634-T638 PolarHBondContact O-N 3.08Å; I634-T638 PolarHBondContact O-OG1 3Å; R635-T638 PolarHBondContact O-N 3.45Å; R635-T638 PolarHBondContact O-OG1 2.91Å; L636-T638 VanDerWaalsContact C-N 3.29Å; L636-T638 PolarHBondContact O-N 3.47Å; T638-A641 PolarHBondContact O-N 3.15Å; T638-K642 WeakPolarHBondContact O-CG 3.31Å; T638-K642 PolarHBondContact O-N 2.67Å; T638-V649 HydrophobicContact CG2-CG2 3.97Å
639	A	92	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-39.2	173.1	0	0	0	0	0	112.3	L307 I327 R635 L636 K642 A643	L307-A639 HydrophobicContact CB-CB 4.07Å; L307-A639 HydrophobicContact CD2-CB 3.66Å; L307-A639 HydrophobicContact CG-CB 4.46Å; I327-A639 HydrophobicContact CD1-CB 4.11Å; R635-A639 WeakPolarHBondContact O-CB 3.28Å; R635-A639 PolarHBondContact O-N 3.34Å; L636-A639 PolarHBondContact O-N 2.7Å; A639-K642 WeakPolarHBondContact O-CB 3.49Å; A639-K642 PolarHBondContact O-N 3.31Å; A639-A643 PolarHBondContact O-N 2.99Å
640	H	91.7	Very high	90.9	Very high	15 Å²	15	30.3 Å²	30.3	7%	0.069	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-38.4	175	-169.5	-79.7	0	0	0	111.5	L307 L636 A643 R644 D653	L307-H640 HydrophobicContact CD2-CB 4Å; L636-H640 WeakPolarHBondContact O-CB 3.43Å; L636-H640 PolarHBondContact O-N 3.03Å; H640-A643 WeakPolarHBondContact O-CB 3.34Å; H640-A643 PolarHBondContact O-N 3.15Å; H640-R644 PolarHBondContact O-N 3.02Å; H640-D653 HydrophobicContact CB-CB 4.38Å; H640-D653 IonicContact CE1-OD1 2.74Å; H640-D653 PolarHBondContact CE1-OD1 2.96Å; H640-D653 VanDerWaalsContact CE1-OD1 3.28Å; H640-D653 IonicContact CG-OD1 3.5Å; H640-D653 IonicContact ND1-OD1 2.77Å; H640-D653 PolarHBondContact ND1-OD1 2.77Å
641	A	91.5	Very high	91	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-37.7	171.8	0	0	0	0	0	112.9	P582 S637 T638 R644 M645 S646 V649	P582-A641 HydrophobicContact CB-CB 3.78Å; P582-A641 HydrophobicContact CG-CB 3.93Å; S637-A641 WeakPolarHBondContact O-CB 3.33Å; S637-A641 PolarHBondContact O-N 2.88Å; S637-A641 VanDerWaalsContact O-N 3.11Å; T638-A641 PolarHBondContact O-N 3.15Å; A641-R644 PolarHBondContact O-N 2.92Å; A641-M645 PolarHBondContact O-N 3.4Å; A641-S646 PolarHBondContact O-N 2.86Å; A641-V649 HydrophobicContact CB-CG2 3.96Å
642	K	91.1	Very high	91	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-42.9	169.6	-70.8	-179.2	-175.4	-178.3	0	111.7	L310 G311 G312 A577 L580 P582 T638 A639 R644 M645	L310-K642 HydrophobicContact CB-CD 4.4Å; L310-K642 HydrophobicContact CD2-CB 4.45Å; L310-K642 PolarHBondContact O-NZ 3.19Å; G311-K642 WeakPolarHBondContact O-CD 3.48Å; G311-K642 VanDerWaalsContact O-CE 3.3Å; G311-K642 WeakPolarHBondContact O-CE 3.24Å; G311-K642 PolarHBondContact O-NZ 3.32Å; G312-K642 WeakPolarHBondContact O-CE 3.4Å; G312-K642 PolarHBondContact O-NZ 3.37Å; A577-K642 WeakPolarHBondContact O-CD 3.37Å; A577-K642 WeakPolarHBondContact O-CG 3.42Å; L580-K642 VanDerWaalsContact O-CE 3.27Å; L580-K642 WeakPolarHBondContact O-CE 3.26Å; P582-K642 HydrophobicContact CG-CG 4.05Å; T638-K642 WeakPolarHBondContact O-CG 3.31Å; T638-K642 PolarHBondContact O-N 2.67Å; A639-K642 WeakPolarHBondContact O-CB 3.49Å; A639-K642 PolarHBondContact O-N 3.31Å; K642-R644 PolarHBondContact O-N 2.97Å; K642-R644 VanDerWaalsContact O-N 3.08Å; K642-M645 WeakPolarHBondContact O-CA 3.36Å; K642-M645 PolarHBondContact O-N 2.95Å
643	A	89.3	Confident	91	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-20.1	179.8	0	0	0	0	0	113.6	V283 I284 L306 L310 Y573 A639 H640	V283-A643 VanDerWaalsContact CG1-O 3.24Å; V283-A643 WeakPolarHBondContact CG1-O 3.49Å; I284-A643 HydrophobicContact CG1-CB 4.46Å; L306-A643 HydrophobicContact CD2-CB 4.5Å; L310-A643 HydrophobicContact CD1-CB 3.56Å; Y573-A643 PolarHBondContact OH-O 3.29Å; Y573-A643 VanDerWaalsContact OH-O 3.08Å; A639-A643 PolarHBondContact O-N 2.99Å; H640-A643 WeakPolarHBondContact O-CB 3.34Å; H640-A643 PolarHBondContact O-N 3.15Å
644	R	87.9	Confident	91	Very high	70 Å²	70	35.5 Å²	35.5	26%	0.264	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2	174.9	-64.4	172.3	62.2	-155.9	-5.8	113.9	S278 I284 H640 A641 K642 S646 T650 D653	S278-R644 PolarHBondContact OG-O 3.36Å; I284-R644 HydrophobicContact CD1-CG 3.67Å; H640-R644 PolarHBondContact O-N 3.02Å; A641-R644 PolarHBondContact O-N 2.92Å; K642-R644 PolarHBondContact O-N 2.97Å; K642-R644 VanDerWaalsContact O-N 3.08Å; R644-S646 PolarHBondContact O-N 2.92Å; R644-T650 PolarHBondContact NH1-OG1 2.9Å; R644-D653 WeakPolarHBondContact CD-OD1 3.03Å; R644-D653 IonicContact CZ-OD1 3.6Å; R644-D653 IonicContact NE-OD1 2.77Å; R644-D653 VanDerWaalsContact NH1-CG 3.27Å; R644-D653 IonicContact NH1-OD1 3.64Å; R644-D653 PolarHBondContact NH1-OD1 2.71Å; R644-D653 IonicContact NH1-OD2 3.61Å; R644-D653 PolarHBondContact NH1-OD2 2.78Å; R644-D653 VanDerWaalsContact NH1-OD2 3.08Å
645	M	87	Confident	90.9	Very high	40 Å²	40	36.8 Å²	36.8	20%	0.197	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	26.3	-167.4	-51	-63.4	-81.9	0	0	114.5	Y573 V576 A577 L580 A641 K642	Y573-M645 HydrophobicContact CE2-CG 4.34Å; V576-M645 HydrophobicContact CB-CE 3.87Å; V576-M645 HydrophobicContact CG1-CE 3.57Å; A577-M645 VanDerWaalsContact CA-SD 3.6Å; A577-M645 HydrophobicContact CB-SD 3.59Å; A577-M645 VanDerWaalsContact CB-SD 3.59Å; L580-M645 HydrophobicContact CD1-CB 3.89Å; L580-M645 HydrophobicContact CD1-CE 3.69Å; L580-M645 HydrophobicContact CD1-CG 4.44Å; L580-M645 HydrophobicContact CD1-SD 3.73Å; L580-M645 HydrophobicContact CG-CE 4.44Å; A641-M645 PolarHBondContact O-N 3.4Å; K642-M645 WeakPolarHBondContact O-CA 3.36Å; K642-M645 PolarHBondContact O-N 2.95Å
646	S	87.7	Confident	90.7	Very high	25 Å²	25	37.1 Å²	37.1	18%	0.175	18%	0.178	C	C	.	.			trans	-78.9	144	-179.9	-172.7	0	0	0	0	112.3	A641 R644 T648	A641-S646 PolarHBondContact O-N 2.86Å; R644-S646 PolarHBondContact O-N 2.92Å; S646-T648 WeakPolarHBondContact CB-O 3.25Å; S646-T648 PolarHBondContact OG-N 3.44Å; S646-T648 VanDerWaalsContact OG-N 3.14Å; S646-T648 PolarHBondContact OG-O 2.64Å
647	K	89	Confident	90.5	Very high	166 Å²	166	37.3 Å²	37.3	72%	0.722	18%	0.179	S	C	*	.	S	Bend	trans	-83.3	-11.9	169.4	-65.9	-175	179.9	-179.1	0	113	P582 Q583	P582-K647 WeakPolarHBondContact CA-O 3.41Å; Q583-K647 PolarHBondContact N-O 2.83Å
648	T	92.5	Very high	90.4	Very high	67 Å²	67	38 Å²	38	41%	0.411	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	-178.7	49	0	0	0	0	111.4	Q583 T585 S646 T650	Q583-T648 WeakPolarHBondContact O-CA 3.48Å; T585-T648 HydrophobicContact CG2-CG2 4.45Å; S646-T648 WeakPolarHBondContact CB-O 3.25Å; S646-T648 PolarHBondContact OG-N 3.44Å; S646-T648 VanDerWaalsContact OG-N 3.14Å; S646-T648 PolarHBondContact OG-O 2.64Å; T648-T650 PolarHBondContact O-N 2.78Å
649	V	92.1	Very high	90.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	119.4	170.7	-177.6	0	0	0	0	108.4	P582 Q583 L584 T585 A588 T638 A641 D653	P582-V649 HydrophobicContact CB-CG2 4.34Å; Q583-V649 PolarHBondContact O-N 3.36Å; L584-V649 HydrophobicContact CD1-CB 4.02Å; L584-V649 HydrophobicContact CD1-CG1 3.98Å; L584-V649 HydrophobicContact CD1-CG2 4.28Å; T585-V649 WeakPolarHBondContact CB-O 3.4Å; T585-V649 WeakPolarHBondContact CG2-O 3.36Å; T585-V649 PolarHBondContact OG1-O 2.86Å; A588-V649 HydrophobicContact CB-CG1 4Å; T638-V649 HydrophobicContact CG2-CG2 3.97Å; A641-V649 HydrophobicContact CB-CG2 3.96Å; V649-D653 HydrophobicContact CG1-CB 4.06Å
650	T	90.6	Very high	90	Very high	41 Å²	41	44.7 Å²	44.7	25%	0.252	22%	0.215	S	C	.	.			trans	-94.2	162.5	178.9	71.7	0	0	0	0	111.1	R644 T648 K652 D653 A654	R644-T650 PolarHBondContact NH1-OG1 2.9Å; T648-T650 PolarHBondContact O-N 2.78Å; T650-K652 PolarHBondContact O-N 3.03Å; T650-D653 WeakPolarHBondContact CA-OD2 3.47Å; T650-D653 WeakPolarHBondContact CB-OD2 3.41Å; T650-D653 PolarHBondContact N-OD2 3.45Å; T650-D653 WeakPolarHBondContact O-CB 3.29Å; T650-D653 PolarHBondContact O-N 3.31Å; T650-D653 PolarHBondContact OG1-OD2 3.44Å; T650-A654 PolarHBondContact O-N 2.81Å
651	K	91.9	Very high	89.8	Confident	101 Å²	101	44.4 Å²	44.4	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-48.5	-43.6	175.9	168	165.6	179.7	169.2	0	113.2	I591 D653 A654 E655	I591-K651 HydrophobicContact CD1-CB 4.19Å; I591-K651 HydrophobicContact CD1-CD 3.55Å; I591-K651 HydrophobicContact CD1-CG 3.6Å; K651-D653 VanDerWaalsContact C-N 3.29Å; K651-D653 PolarHBondContact O-N 2.81Å; K651-A654 WeakPolarHBondContact O-CB 3.43Å; K651-A654 PolarHBondContact O-N 3.37Å; K651-E655 WeakPolarHBondContact CE-OE1 3.2Å; K651-E655 HydrophobicContact CG-CG 4.33Å; K651-E655 WeakPolarHBondContact CG-OE2 3.46Å; K651-E655 IonicContact NZ-OE1 3.83Å; K651-E655 WeakPolarHBondContact O-CG 3.37Å; K651-E655 PolarHBondContact O-N 2.75Å
652	K	89.6	Confident	89.4	Confident	145 Å²	145	46.1 Å²	46.1	63%	0.63	23%	0.226	S	C	*	.	H	α-helix	trans	-61.1	-34.7	179.5	-64.5	-171.4	176.9	-171.7	0	113.4	T650 E655 A656	T650-K652 PolarHBondContact O-N 3.03Å; K652-E655 PolarHBondContact O-N 2.61Å; K652-A656 WeakPolarHBondContact O-CB 3.47Å; K652-A656 PolarHBondContact O-N 2.93Å
653	D	90.8	Very high	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.2	-34	179.7	-50	-58.6	0	0	0	111.3	H640 R644 V649 T650 K651 A657	H640-D653 HydrophobicContact CB-CB 4.38Å; H640-D653 IonicContact CE1-OD1 2.74Å; H640-D653 PolarHBondContact CE1-OD1 2.96Å; H640-D653 VanDerWaalsContact CE1-OD1 3.28Å; H640-D653 IonicContact CG-OD1 3.5Å; H640-D653 IonicContact ND1-OD1 2.77Å; H640-D653 PolarHBondContact ND1-OD1 2.77Å; R644-D653 WeakPolarHBondContact CD-OD1 3.03Å; R644-D653 IonicContact CZ-OD1 3.6Å; R644-D653 IonicContact NE-OD1 2.77Å; R644-D653 VanDerWaalsContact NH1-CG 3.27Å; R644-D653 IonicContact NH1-OD1 3.64Å; R644-D653 PolarHBondContact NH1-OD1 2.71Å; R644-D653 IonicContact NH1-OD2 3.61Å; R644-D653 PolarHBondContact NH1-OD2 2.78Å; R644-D653 VanDerWaalsContact NH1-OD2 3.08Å; V649-D653 HydrophobicContact CG1-CB 4.06Å; T650-D653 WeakPolarHBondContact CA-OD2 3.47Å; T650-D653 WeakPolarHBondContact CB-OD2 3.41Å; T650-D653 PolarHBondContact N-OD2 3.45Å; T650-D653 WeakPolarHBondContact O-CB 3.29Å; T650-D653 PolarHBondContact O-N 3.31Å; T650-D653 PolarHBondContact OG1-OD2 3.44Å; K651-D653 VanDerWaalsContact C-N 3.29Å; K651-D653 PolarHBondContact O-N 2.81Å; D653-A657 WeakPolarHBondContact O-CB 3.44Å; D653-A657 PolarHBondContact O-N 2.92Å
654	A	91.2	Very high	88.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-71.7	-40.5	173	0	0	0	0	0	112.1	A588 L592 T650 K651 A657 V658	A588-A654 HydrophobicContact CB-CB 4.21Å; L592-A654 HydrophobicContact CD2-CB 3.72Å; L592-A654 HydrophobicContact CG-CB 3.97Å; T650-A654 PolarHBondContact O-N 2.81Å; K651-A654 WeakPolarHBondContact O-CB 3.43Å; K651-A654 PolarHBondContact O-N 3.37Å; A654-A657 PolarHBondContact O-N 3.47Å; A654-V658 WeakPolarHBondContact O-CG2 3.06Å; A654-V658 PolarHBondContact O-N 3.28Å
655	E	91	Very high	88	Confident	75 Å²	75	46.9 Å²	46.9	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-63.9	-42.8	176.6	-71.3	172.5	142.3	0	0	111.9	K651 K652 V658 Q659	K651-E655 WeakPolarHBondContact CE-OE1 3.2Å; K651-E655 HydrophobicContact CG-CG 4.33Å; K651-E655 WeakPolarHBondContact CG-OE2 3.46Å; K651-E655 IonicContact NZ-OE1 3.83Å; K651-E655 WeakPolarHBondContact O-CG 3.37Å; K651-E655 PolarHBondContact O-N 2.75Å; K652-E655 PolarHBondContact O-N 2.61Å; E655-V658 PolarHBondContact O-N 2.85Å; E655-Q659 WeakPolarHBondContact O-CG 3.37Å; E655-Q659 PolarHBondContact O-N 2.89Å
656	A	88.1	Confident	87	Confident	18 Å²	18	46.5 Å²	46.5	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-45.2	173.9	0	0	0	0	0	112.3	K652 V658 Q659 L660	K652-A656 WeakPolarHBondContact O-CB 3.47Å; K652-A656 PolarHBondContact O-N 2.93Å; A656-V658 VanDerWaalsContact C-N 3.3Å; A656-V658 PolarHBondContact O-N 3Å; A656-Q659 PolarHBondContact O-N 3.06Å; A656-L660 PolarHBondContact O-N 2.93Å
657	A	89.9	Confident	85.7	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-37.1	176.1	0	0	0	0	0	113	L633 L636 S637 D653 A654 I661	L633-A657 HydrophobicContact CD2-CB 4.5Å; L636-A657 HydrophobicContact CB-CB 3.81Å; S637-A657 WeakPolarHBondContact OG-CB 3.23Å; D653-A657 WeakPolarHBondContact O-CB 3.44Å; D653-A657 PolarHBondContact O-N 2.92Å; A654-A657 PolarHBondContact O-N 3.47Å; A657-I661 PolarHBondContact O-N 2.81Å
658	V	90	Very high	83.6	Confident	16 Å²	16	45.8 Å²	45.8	10%	0.097	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-42.2	174.2	170.2	0	0	0	0	111.4	L592 K595 L633 A654 E655 A656 L660 I661 S662	L592-V658 HydrophobicContact CD2-CG2 4.02Å; K595-V658 HydrophobicContact CB-CG1 4.1Å; K595-V658 HydrophobicContact CB-CG2 3.92Å; K595-V658 HydrophobicContact CD-CG1 4.38Å; K595-V658 HydrophobicContact CG-CG1 4.26Å; K595-V658 HydrophobicContact CG-CG2 4.29Å; L633-V658 HydrophobicContact CD2-CB 4.47Å; L633-V658 HydrophobicContact CD2-CG2 3.67Å; A654-V658 WeakPolarHBondContact O-CG2 3.06Å; A654-V658 PolarHBondContact O-N 3.28Å; E655-V658 PolarHBondContact O-N 2.85Å; A656-V658 VanDerWaalsContact C-N 3.3Å; A656-V658 PolarHBondContact O-N 3Å; V658-L660 VanDerWaalsContact C-N 3.34Å; V658-L660 PolarHBondContact O-N 2.94Å; V658-I661 PolarHBondContact O-N 2.95Å; V658-S662 WeakPolarHBondContact O-CB 3.3Å; V658-S662 PolarHBondContact O-N 3.4Å; V658-S662 PolarHBondContact O-OG 3.07Å
659	Q	88.7	Confident	80.9	Confident	139 Å²	139	45.8 Å²	45.8	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-59.1	-44.4	176.3	-73.5	170.8	7	0	0	111.9	E655 A656 S662 F663	E655-Q659 WeakPolarHBondContact O-CG 3.37Å; E655-Q659 PolarHBondContact O-N 2.89Å; A656-Q659 PolarHBondContact O-N 3.06Å; Q659-S662 PolarHBondContact O-N 2.84Å; Q659-F663 PolarHBondContact O-N 3.49Å
660	L	87.8	Confident	78	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-42.7	178	-166.4	158.7	0	0	0	111.9	E303 L307 L469 F471 L636 A656 V658 F663 V664	E303-L660 HydrophobicContact CG-CD1 4.05Å; L307-L660 HydrophobicContact CD1-CD1 3.87Å; L469-L660 HydrophobicContact CD1-CD2 3.83Å; L469-L660 HydrophobicContact CD2-CD2 3.45Å; L469-L660 VanDerWaalsContact CD2-CD2 3.45Å; L469-L660 HydrophobicContact CG-CD2 4.31Å; F471-L660 HydrophobicContact CZ-CD2 4.18Å; L636-L660 HydrophobicContact CD1-CD2 4.37Å; A656-L660 PolarHBondContact O-N 2.93Å; V658-L660 VanDerWaalsContact C-N 3.34Å; V658-L660 PolarHBondContact O-N 2.94Å; L660-F663 PolarHBondContact O-N 2.88Å; L660-V664 HydrophobicContact CD2-CG2 4.46Å; L660-V664 PolarHBondContact O-N 3.34Å; L660-V664 VanDerWaalsContact O-N 3.12Å
661	I	87.1	Confident	75.2	Confident	9 Å²	9	57 Å²	57	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-41	175.2	-70.5	-171	0	0	0	112	L469 L599 T632 L633 L636 A657 V658 F663 V664 L665	L469-I661 HydrophobicContact CD2-CG1 4.45Å; L599-I661 HydrophobicContact CD1-CG2 4.43Å; T632-I661 HydrophobicContact CG2-CD1 3.93Å; L633-I661 HydrophobicContact CD2-CD1 3.56Å; L633-I661 HydrophobicContact CD2-CG1 4.34Å; L633-I661 HydrophobicContact CG-CD1 3.7Å; L636-I661 HydrophobicContact CD1-CD1 3.8Å; L636-I661 HydrophobicContact CD1-CG1 3.66Å; A657-I661 PolarHBondContact O-N 2.81Å; V658-I661 PolarHBondContact O-N 2.95Å; I661-F663 VanDerWaalsContact C-N 3.3Å; I661-F663 PolarHBondContact O-N 3.48Å; I661-V664 PolarHBondContact O-N 3.27Å; I661-V664 VanDerWaalsContact O-N 3.11Å; I661-L665 HydrophobicContact CG2-CD1 3.59Å; I661-L665 HydrophobicContact CG2-CG 3.95Å; I661-L665 WeakPolarHBondContact O-CB 3.27Å; I661-L665 WeakPolarHBondContact O-CG 3.16Å; I661-L665 PolarHBondContact O-N 3.22Å
662	S	83.3	Confident	72.4	Confident	36 Å²	36	57.9 Å²	57.9	25%	0.252	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-41.8	175.3	-69	0	0	0	0	111.7	V658 Q659 V664 L665 F666	V658-S662 WeakPolarHBondContact O-CB 3.3Å; V658-S662 PolarHBondContact O-N 3.4Å; V658-S662 PolarHBondContact O-OG 3.07Å; Q659-S662 PolarHBondContact O-N 2.84Å; S662-V664 VanDerWaalsContact C-N 3.32Å; S662-V664 PolarHBondContact O-N 2.93Å; S662-L665 PolarHBondContact O-N 3.18Å; S662-F666 WeakPolarHBondContact O-CB 3.34Å; S662-F666 WeakPolarHBondContact O-CD2 3.44Å; S662-F666 PolarHBondContact O-N 2.97Å
663	F	82.4	Confident	69.5	Low	82 Å²	82	57.2 Å²	57.2	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-38.6	173.7	178.9	-97.3	0	0	0	112.5	H300 F471 Q659 L660 I661 K667	H300-F663 HydrophobicContact CB-CD1 4.08Å; H300-F663 HydrophobicContact CB-CE1 4Å; H300-F663 AromaticContact CD2-CD1 3.93Å; H300-F663 AromaticContact CD2-CD2 3.86Å; H300-F663 AromaticContact CD2-CE1 3.83Å; H300-F663 AromaticContact CD2-CE2 3.77Å; H300-F663 AromaticContact CD2-CG 3.95Å; H300-F663 AromaticContact CD2-CZ 3.75Å; F471-F663 HydrophobicContact CD1-CD1 4.45Å; F471-F663 HydrophobicContact CD1-CE1 4.13Å; F471-F663 HydrophobicContact CE1-CD1 4.03Å; F471-F663 HydrophobicContact CE1-CE1 4.04Å; Q659-F663 PolarHBondContact O-N 3.49Å; L660-F663 PolarHBondContact O-N 2.88Å; I661-F663 VanDerWaalsContact C-N 3.3Å; I661-F663 PolarHBondContact O-N 3.48Å; F663-K667 WeakPolarHBondContact O-CA 3.29Å; F663-K667 PolarHBondContact O-N 3.39Å; F663-K667 VanDerWaalsContact O-N 3.1Å
664	V	82.1	Confident	66.6	Low	5 Å²	5	66.1 Å²	66.1	3%	0.03	33%	0.329	C	S	.	.	H	α-helix	trans	-71.4	-42.1	176.9	161.5	0	0	0	0	113.1	L469 F471 T622 L660 I661 S662	L469-V664 HydrophobicContact CD2-CG2 4.19Å; F471-V664 HydrophobicContact CD1-CG2 3.99Å; F471-V664 HydrophobicContact CE1-CG2 3.57Å; F471-V664 HydrophobicContact CE2-CG2 4.26Å; F471-V664 HydrophobicContact CZ-CG2 3.71Å; T622-V664 PolarHBondContact OG1-O 2.7Å; L660-V664 HydrophobicContact CD2-CG2 4.46Å; L660-V664 PolarHBondContact O-N 3.34Å; L660-V664 VanDerWaalsContact O-N 3.12Å; I661-V664 PolarHBondContact O-N 3.27Å; I661-V664 VanDerWaalsContact O-N 3.11Å; S662-V664 VanDerWaalsContact C-N 3.32Å; S662-V664 PolarHBondContact O-N 2.93Å
665	L	75.7	Confident	63.8	Low	11 Å²	11	77.4 Å²	77.4	6%	0.058	37%	0.371	C	S	.	.	H	α-helix	trans	-75.8	-49	-175.6	-72.3	177	0	0	0	113.2	L599 T622 Q623 I625 I661 S662	L599-L665 HydrophobicContact CD1-CD1 4.39Å; L599-L665 HydrophobicContact CD2-CD1 4.24Å; T622-L665 PolarHBondContact N-O 3.02Å; Q623-L665 HydrophobicContact CB-CD2 4.17Å; I625-L665 HydrophobicContact CD1-CD1 4.19Å; I625-L665 HydrophobicContact CG1-CD1 4.36Å; I661-L665 HydrophobicContact CG2-CD1 3.59Å; I661-L665 HydrophobicContact CG2-CG 3.95Å; I661-L665 WeakPolarHBondContact O-CB 3.27Å; I661-L665 WeakPolarHBondContact O-CG 3.16Å; I661-L665 PolarHBondContact O-N 3.22Å; S662-L665 PolarHBondContact O-N 3.18Å
666	F	65.9	Low	61	Low	33 Å²	33	83 Å²	83	15%	0.145	39%	0.394	C	S	.	.	H	α-helix	trans	-88.5	-27.6	-175.6	-60.8	-62.9	0	0	0	112.5	L599 M619 S662 E668	L599-F666 HydrophobicContact CD2-CE2 3.61Å; L599-F666 HydrophobicContact CD2-CZ 3.87Å; M619-F666 HydrophobicContact CE-CB 4.28Å; M619-F666 HydrophobicContact CE-CD1 3.72Å; M619-F666 HydrophobicContact CE-CE1 4.41Å; M619-F666 HydrophobicContact CE-CG 4.17Å; M619-F666 HydrophobicContact CG-CD1 3.83Å; M619-F666 HydrophobicContact CG-CE1 4.44Å; M619-F666 HydrophobicContact SD-CB 3.95Å; M619-F666 HydrophobicContact SD-CD1 3.72Å; M619-F666 HydrophobicContact SD-CG 4.24Å; S662-F666 WeakPolarHBondContact O-CB 3.34Å; S662-F666 WeakPolarHBondContact O-CD2 3.44Å; S662-F666 PolarHBondContact O-N 2.97Å; F666-E668 PolarHBondContact O-N 3.01Å
667	K	59.5	Low	58.3	Low	42 Å²	42	93 Å²	93	18%	0.183	43%	0.428	C	S	.	.			trans	41	64.8	175.2	-167.6	-138.2	173.9	170.6	0	112.3	I472 L474 T622 F663 V669	I472-K667 HydrophobicContact CB-CD 4.23Å; I472-K667 VanDerWaalsContact CG2-NZ 3.34Å; I472-K667 WeakPolarHBondContact O-CE 3.46Å; I472-K667 PolarHBondContact O-NZ 2.99Å; L474-K667 VanDerWaalsContact CG-NZ 3.31Å; T622-K667 HydrophobicContact CG2-CB 4.28Å; F663-K667 WeakPolarHBondContact O-CA 3.29Å; F663-K667 PolarHBondContact O-N 3.39Å; F663-K667 VanDerWaalsContact O-N 3.1Å; K667-V669 PolarHBondContact O-N 2.85Å
668	E	45.3	Very low	55.5	Low	133 Å²	133	99.1 Å²	99.1	62%	0.621	46%	0.46	S	S	*	.			trans	-53.2	108	174.9	-72.7	-168.9	162	0	0	109.9	F666 L670	F666-E668 PolarHBondContact O-N 3.01Å; E668-L670 HydrophobicContact CB-CG 4.42Å; E668-L670 PolarHBondContact O-N 3.32Å; E668-L670 WeakPolarHBondContact OE2-CD2 3.4Å
669	V	36.3	Very low	52.8	Low	68 Å²	68	110.1 Å²	110.1	41%	0.412	50%	0.5	S	S	.	.			trans	-60.9	91.2	141.2	176.3	0	0	0	0	104	K667 E671	K667-V669 PolarHBondContact O-N 2.85Å; V669-E671 PolarHBondContact O-N 3.19Å
670	L	30.2	Very low	50	Low	120 Å²	120	109.7 Å²	109.7	63%	0.628	50%	0.502	S	S	*	.			trans	-54.7	99.8	160.8	-75.5	170.3	0	0	0	105.5	K476 E668 K672	K476-L670 PolarHBondContact NZ-O 3.11Å; E668-L670 HydrophobicContact CB-CG 4.42Å; E668-L670 PolarHBondContact O-N 3.32Å; E668-L670 WeakPolarHBondContact OE2-CD2 3.4Å; L670-K672 PolarHBondContact O-N 3.09Å
671	E	31.9	Very low	47.6	Very low	156 Å²	156	116.1 Å²	116.1	73%	0.729	54%	0.536	S	S	*	.			trans	-58.8	116.3	151.2	-67.4	-154.5	154.6	0	0	104.5	V669 T673	V669-E671 PolarHBondContact O-N 3.19Å; E671-T673 PolarHBondContact O-N 2.91Å
672	K	33.4	Very low	45.1	Very low	119 Å²	119	122.2 Å²	122.2	52%	0.517	57%	0.569	S	S	.	*			trans	-48.1	116	161.7	-80.3	172.5	166.5	173.7	0	105.2	D478 D480 L670 K674	D478-K672 WeakPolarHBondContact OD1-CE 3.41Å; D478-K672 IonicContact OD1-NZ 2.76Å; D478-K672 PolarHBondContact OD1-NZ 2.71Å; D480-K672 IonicContact OD2-NZ 3.7Å; D480-K672 PolarHBondContact OD2-NZ 3.31Å; L670-K672 PolarHBondContact O-N 3.09Å; K672-K674 PolarHBondContact O-N 2.95Å
673	T	28	Very low	42.7	Very low	132 Å²	132	126.1 Å²	126.1	81%	0.81	59%	0.587	S	S	*	*			trans	-47.4	119.7	174.1	38.3	0	0	0	0	106.1	E671 R675	E671-T673 PolarHBondContact O-N 2.91Å; T673-R675 PolarHBondContact O-N 3.38Å
674	K	30.8	Very low	40.3	Very low	187 Å²	187	129 Å²	129	81%	0.813	61%	0.606	S	S	*	*			trans	-62.2	96.5	-176.2	-78.6	179.8	-178.3	167.6	0	106.7	K672 K676	K672-K674 PolarHBondContact O-N 2.95Å; K674-K676 PolarHBondContact O-N 3.38Å
675	R	31.9	Very low	38.1	Very low	236 Å²	236	135.4 Å²	135.4	89%	0.891	64%	0.64	S	S	*	*			trans	-50.6	103.7	152.8	-78.3	-173.7	170.4	-167.4	-3.9	103.5	T673 R677	T673-R675 PolarHBondContact O-N 3.38Å; R675-R677 PolarHBondContact O-N 2.94Å
676	K	33	Very low	36.3	Very low	193 Å²	193	142 Å²	142	84%	0.839	68%	0.675	S	S	*	*			trans	-59.8	88.5	161.1	-79.1	-174.1	172.2	-173.9	0	104.6	K674	K674-K676 PolarHBondContact O-N 3.38Å
677	R	30.9	Very low	34.9	Very low	227 Å²	227	147.3 Å²	147.3	86%	0.857	71%	0.705	S	S	*	*			trans	-57.4	132.4	148.1	-92.8	-177.6	160.5	168.8	-6.1	105.2	R675 R679	R675-R677 PolarHBondContact O-N 2.94Å; R677-R679 PolarHBondContact O-N 3.16Å; R677-R679 VanDerWaalsContact O-N 3.16Å
678	D	31.7	Very low	34	Very low	133 Å²	133	150.2 Å²	150.2	71%	0.711	72%	0.723	S	S	*	*			trans	-61.5	118.8	-165.4	-51.4	-82	0	0	0	110	N680	D678-N680 PolarHBondContact O-N 3.17Å
679	R	32.7	Very low	33.7	Very low	248 Å²	248	151.1 Å²	151.1	94%	0.936	73%	0.725	S	S	*	*			trans	-86.8	78.7	150.2	-79	-173.4	169.2	-169.9	-6	105.8	R677	R677-R679 PolarHBondContact O-N 3.16Å; R677-R679 VanDerWaalsContact O-N 3.16Å
680	N	30.5	Very low	33.7	Very low	129 Å²	129	154.1 Å²	154.1	69%	0.69	74%	0.739	S	S	*	*			trans	-68.9	166.7	155.2	-80.5	9	0	0	0	108.9	D678	D678-N680 PolarHBondContact O-N 3.17Å
681	L	36.7	Very low	33.9	Very low	139 Å²	139	153.2 Å²	153.2	73%	0.728	74%	0.742	S	S	*	*			trans	71.7	113.5	-176.6	-50.4	175.2	0	0	0	110.4
682	D	34.4	Very low	34	Very low	137 Å²	137	152.7 Å²	152.7	73%	0.733	74%	0.744	S	S	*	*			cis	-152.5	161.1	14.3	-75.6	-54.6	0	0	0	109.3
683	N	32.6	Very low	34.1	Very low	119 Å²	119	156.4 Å²	156.4	64%	0.636	76%	0.763	S	S	*	*			cis	-164	-147.7	-32.7	-126.5	-1	0	0	0	106.3
684	D	33.9	Very low	34.2	Very low	141 Å²	141	153.5 Å²	153.5	75%	0.754	76%	0.76	S	S	*	*			trans	75.9	132.1	165.3	-42.9	-17	0	0	0	114.6
685	D	34.5	Very low	34.2	Very low	141 Å²	141	153.1 Å²	153.1	75%	0.754	76%	0.761	S	S	*	*			cis	-153.8	-172	5.1	-115.2	-26.5	0	0	0	111.6
686	D	38.2	Very low	34.1	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	75%	0.753	S	S	*	*			trans	76.9	131.7	165.9	-59.6	-20	0	0	0	118.6
687	D	37.5	Very low	34	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	75%	0.749	S	S	*	*			cis	-165.6	-179	-11.2	-154.1	-9	0	0	0	111.6
688	D	40.2	Very low	33.9	Very low	104 Å²	104	139.6 Å²	139.6	56%	0.556	75%	0.746	S	S	*	*			trans	95	103.1	150.7	-102.6	11.1	0	0	0	123.2
689	K	37.7	Very low	33.8	Very low	151 Å²	151	141.1 Å²	141.1	66%	0.657	75%	0.754	S	S	*	*			trans	75.2	140.5	134.4	-64.3	179.9	174.9	72.5	0	120.9
690	D	36.4	Very low	33.7	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	74%	0.742	S	S	*	*			cis	-156.4	155.9	-1.9	-101.3	-33.4	0	0	0	111
691	S	35.1	Very low	33.7	Very low	101 Å²	101	136.4 Å²	136.4	71%	0.706	74%	0.743	S	S	*	*			trans	54	147.2	164.6	50.4	0	0	0	0	121.5
692	D	34.5	Very low	33.3	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	75%	0.746	S	S	*	*			cis	-157.3	155.3	-7.5	-105.3	-30.7	0	0	0	109.9
693	E	34.3	Very low	33.2	Very low	197 Å²	197	139.7 Å²	139.7	92%	0.921	75%	0.746	S	S	*	*			trans	49.8	133.3	164.5	-60.2	-178.6	-176.2	0	0	119.7
694	G	31.6	Very low	33.1	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	75%	0.748	S	S	*	*			cis	170.2	137.6	-4.7	0	0	0	0	0	112.6
695	E	30.5	Very low	32.9	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	74%	0.744	S	S	*	*			trans	64.8	114.5	160.2	-70.7	-165.6	-163	0	0	123
696	N	30.2	Very low	32.8	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	74%	0.741	S	S	*	*			trans	82.7	84	130.4	-61.5	-33.6	0	0	0	122.8
697	A	30.3	Very low	32.6	Very low	91 Å²	91	140 Å²	140	75%	0.752	74%	0.74	S	S	*	*				80.8	153.6	116.4	0	0	0	0	0	123.6
698	D	29.4	Very low	32.6	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	74%	0.738	S	S	*	*			trans	67.7	82.2	167.4	-67.5	12.2	0	0	0	120.8
699	D	29.9	Very low	32.5	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	74%	0.742	S	S	*	*			trans	56.3	74.2	134.2	-73.7	0.2	0	0	0	120.5
700	T	29.8	Very low	32.4	Very low	112 Å²	112	139.2 Å²	139.2	69%	0.687	75%	0.751	S	S	*	*			trans	-141	120.1	160.9	61.7	0	0	0	0	116.9
701	K	30.9	Very low	32.5	Very low	166 Å²	166	144.4 Å²	144.4	72%	0.722	76%	0.76	S	S	*	*				57.8	125.8	124.1	-63.8	168.3	-172.8	150.8	0	121.6
702	R	27.7	Very low	32.6	Very low	208 Å²	208	151 Å²	151	79%	0.785	77%	0.769	S	S	*	*				82	167.8	125.8	-72.5	176.8	179.6	-177.9	-4	121
703	D	31.3	Very low	32.8	Very low	137 Å²	137	149.1 Å²	149.1	73%	0.733	77%	0.765	S	S	*	*			trans	76.9	161	158.1	-62.3	-23	0	0	0	118.4
704	H	30.7	Very low	32.9	Very low	149 Å²	149	146.4 Å²	146.4	69%	0.69	76%	0.762	S	S	*	*				-174	134.1	-53.2	-124.6	-45.1	0	0	0	108.6
705	S	30.1	Very low	32.9	Very low	93 Å²	93	147.1 Å²	147.1	65%	0.65	76%	0.761	S	S	*	*			trans	70.6	169.9	152.6	85	0	0	0	0	117.9
706	Q	32.5	Very low	33.1	Very low	149 Å²	149	146 Å²	146	70%	0.696	77%	0.766	S	S	*	*			cis	-162.1	125.7	6.8	-142.3	164.1	118.6	0	0	114.7
707	Q	34.8	Very low	33.3	Very low	166 Å²	166	142.9 Å²	142.9	78%	0.776	77%	0.766	S	S	*	*			trans	56.4	177	136.4	-76	-170.8	40.2	0	0	122.8
708	P	36.2	Very low	33.4	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	77%	0.765	S	S	*	*			cis	-119.4	-148.2	-14.9	28.9	-4.5	0	0	0	110.6
709	A	38.2	Very low	33.5	Very low	77 Å²	77	145.8 Å²	145.8	64%	0.636	76%	0.763	S	S	*	*			cis	-159.7	135.4	2.8	0	0	0	0	0	115.6
710	K	36.5	Very low	33.8	Very low	193 Å²	193	143 Å²	143	84%	0.839	76%	0.757	S	S	*	*			trans	41.5	127	134.1	-58.4	167.6	-178	165.2	0	119.2
711	R	37.1	Very low	34.2	Very low	240 Å²	240	142.6 Å²	142.6	91%	0.906	77%	0.765	S	S	*	*				-169.7	164.1	66.1	-76.4	174.4	-170.1	-170.1	0.4	108.6
712	R	38.6	Very low	34.6	Very low	239 Å²	239	140.4 Å²	140.4	90%	0.902	77%	0.767	S	S	*	*			cis	-151.6	-170.5	0.7	-122.5	-152.4	162.5	173	-5.1	108.1
713	P	37.8	Very low	35	Very low	106 Å²	106	138.3 Å²	138.3	69%	0.688	77%	0.772	S	S	*	*			trans	-124.1	179.9	-153.3	46	-35.6	0	0	0	117.2
714	V	37.1	Very low	35.3	Very low	139 Å²	139	136.5 Å²	136.5	84%	0.842	77%	0.767	S	S	*	*				-168.7	133.8	121.2	141.5	0	0	0	0	113
715	A	32.3	Very low	35.4	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	78%	0.778	S	S	*	*			trans	40.4	106.2	157.2	0	0	0	0	0	123.5
716	T	33.4	Very low	36	Very low	154 Å²	154	140.3 Å²	140.3	95%	0.945	79%	0.786	S	S	*	*				-145	160.9	123.4	21.6	0	0	0	0	108.8
717	G	34.4	Very low	36.2	Very low	69 Å²	69	138.4 Å²	138.4	71%	0.711	79%	0.786	S	S	*	*			trans	-100.3	159.5	-161.2	0	0	0	0	0	117.4
718	N	31.9	Very low	36.4	Very low	138 Å²	138	141.2 Å²	141.2	74%	0.738	79%	0.791	S	S	*	*			trans	8.7	139.3	144.3	-67	26.3	0	0	0	118.7
719	H	32.9	Very low	36.2	Very low	163 Å²	163	139.8 Å²	139.8	76%	0.755	79%	0.789	S	S	*	*			cis	-155.1	176.5	24.8	-106.7	-52.6	0	0	0	113.2
720	S	34.9	Very low	35.9	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	80%	0.801	S	S	*	*			trans	59.5	83.8	152.7	56.5	0	0	0	0	120.4
721	A	38.3	Very low	35.7	Very low	103 Å²	103	142 Å²	142	85%	0.851	79%	0.794	S	S	*	*				51.4	145.8	123.8	0	0	0	0	0	122.7
722	P	39.2	Very low	35.4	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	79%	0.787	S	S	*	*			trans	-124.5	162.7	-162.5	41.7	-26.3	0	0	0	116.9
723	D	36.4	Very low	35	Very low	164 Å²	164	133.6 Å²	133.6	88%	0.877	78%	0.78	S	S	*	*			trans	-101.1	136.5	154.4	-80.8	-49.4	0	0	0	109.9
724	P	37.4	Very low	35.1	Very low	99 Å²	99	133.3 Å²	133.3	64%	0.643	78%	0.778	S	S	*	*			trans	-102	122.2	-177.7	35	-30.3	0	0	0	113.9
725	N	33	Very low	34.9	Very low	170 Å²	170	132.8 Å²	132.8	91%	0.909	78%	0.775	S	S	*	*			trans	-174.9	80.9	155.4	-100.3	-25.9	0	0	0	111.9
726	D	42.5	Very low	34.9	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	78%	0.777	S	S	*	*			trans	-160.4	117.3	158.7	-154.1	-7.8	0	0	0	111
727	P	36.6	Very low	34.8	Very low	108 Å²	108	132.4 Å²	132.4	70%	0.701	76%	0.764	S	S	*	*			trans	-127.6	73.8	-167.7	41.7	-27.7	0	0	0	116.2
728	Y	40.2	Very low	34.5	Very low	226 Å²	226	139.6 Å²	139.6	89%	0.886	77%	0.769	S	S	*	*			trans	-144.7	71.8	173	-85	-69.3	0	0	0	115.8
729	A	31.8	Very low	34.4	Very low	83 Å²	83	139.1 Å²	139.1	69%	0.686	77%	0.771	S	S	*	*			trans	-162.5	133.6	164.1	0	0	0	0	0	114.2
730	F	31.1	Very low	34.4	Very low	205 Å²	205	139.7 Å²	139.7	90%	0.899	78%	0.775	S	S	*	*			trans	156	177.5	132.3	-87.6	-63.4	0	0	0	114
731	T	32.1	Very low	34.4	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	77%	0.772	S	S	*	*			trans	-125.6	-172.4	-168.2	51.3	0	0	0	0	110.8
732	E	31	Very low	33.9	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	77%	0.774	S	S	*	*			cis	-163.8	164.8	18.4	-141.3	147.1	-83.2	0	0	111
733	D	30.9	Very low	33.7	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	78%	0.778	S	S	*	*			trans	6.9	172.4	144.6	-80.7	28.5	0	0	0	123.3
734	P	40.2	Very low	33.3	Very low	99 Å²	99	143 Å²	143	64%	0.643	78%	0.777	S	S	*	*			cis	-143.6	-148.8	-33.9	40.2	-19.4	0	0	0	113.5
735	T	32.7	Very low	33.1	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	78%	0.78	S	S	*	*			trans	92.1	146	165.2	75.8	0	0	0	0	118.3
736	V	32	Very low	33.1	Very low	127 Å²	127	142.1 Å²	142.1	77%	0.77	78%	0.775	S	S	*	*			cis	-155	164.5	-11.9	122.3	0	0	0	0	111.6
737	T	30.8	Very low	32.9	Very low	107 Å²	107	139.5 Å²	139.5	66%	0.656	77%	0.767	S	S	*	*			trans	-39.7	158.2	177.4	67.9	0	0	0	0	116.9
738	R	28.2	Very low	32.6	Very low	219 Å²	219	140.8 Å²	140.8	83%	0.826	77%	0.766	S	S	*	*			cis	-172.8	-179.1	43.6	-145	158.5	-175.7	149.2	0.1	109
739	T	31.3	Very low	32.5	Very low	128 Å²	128	133.1 Å²	133.1	79%	0.785	75%	0.746	S	S	*	*			cis	-158.1	-161.6	21.5	-34.8	0	0	0	0	112.4
740	E	31.1	Very low	33.2	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	75%	0.746	S	S	*	*			trans	-106.5	172.5	-179.7	-83.8	172.2	-155.2	0	0	111.7
741	P	35.2	Very low	33.6	Very low	107 Å²	107	127.4 Å²	127.4	70%	0.695	73%	0.731	S	S	*	*			cis	-151.7	173.1	34.1	45.4	-24.4	0	0	0	121.3
742	L	28.9	Very low	34.1	Very low	169 Å²	169	125.6 Å²	125.6	89%	0.885	72%	0.716	S	S	*	*			trans	39	106.7	142.9	-66.1	164.6	0	0	0	121.2
743	A	33.4	Very low	35.6	Very low	105 Å²	105	120.6 Å²	120.6	87%	0.868	69%	0.693	S	S	*	*				-169.1	133.9	126.1	0	0	0	0	0	114.1
744	E	28.3	Very low	37.2	Very low	180 Å²	180	120.9 Å²	120.9	84%	0.841	69%	0.69	S	S	*	*			trans	-32	149.9	152.9	-75.6	160.4	-167.8	0	0	115.9
745	T	32.8	Very low	38.3	Very low	117 Å²	117	121.8 Å²	121.8	72%	0.718	69%	0.685	S	S	*	*			cis	-163.5	139.7	19.8	5.2	0	0	0	0	113.2
746	V	33.8	Very low	40.1	Very low	133 Å²	133	121 Å²	121	81%	0.806	67%	0.668	S	S	*	*				63.4	139.6	129.7	169.1	0	0	0	0	121.1
747	P	38.4	Very low	42	Very low	99 Å²	99	116.6 Å²	116.6	64%	0.643	64%	0.641	S	S	*	*				-141	-131.2	-125.7	37.5	-13.2	0	0	0	115.9	S749	P747-S749 PolarHBondContact O-N 3.02Å
748	I	31	Very low	44	Very low	134 Å²	134	114.4 Å²	114.4	69%	0.687	63%	0.63	S	S	*	*			trans	81.3	-20.4	157	-75.6	157.1	0	0	0	120.2	S750 L752	I748-S750 PolarHBondContact O-N 3.06Å; I748-L752 HydrophobicContact CG2-CD1 4.12Å
749	S	38.1	Very low	46.3	Very low	66 Å²	66	109.2 Å²	109.2	46%	0.462	62%	0.615	S	S	.	*	H	α-helix	trans	-69.7	-24.4	-164.1	66.8	0	0	0	0	118.4	P747 A751 L752 H753	P747-S749 PolarHBondContact O-N 3.02Å; S749-A751 PolarHBondContact O-N 3.42Å; S749-L752 PolarHBondContact O-N 2.9Å; S749-H753 PolarHBondContact O-CD2 3.06Å; S749-H753 PolarHBondContact O-N 2.95Å
750	S	46.9	Very low	48.4	Very low	97 Å²	97	103.1 Å²	103.1	68%	0.678	58%	0.578	S	S	*	*	H	α-helix	trans	-65.7	-41.1	-162	56.8	0	0	0	0	115.9	I748 H753	I748-S750 PolarHBondContact O-N 3.06Å; S750-H753 WeakPolarHBondContact O-CB 3.23Å; S750-H753 PolarHBondContact O-N 3.31Å
751	A	39.2	Very low	50.6	Low	70 Å²	70	95.5 Å²	95.5	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-68.9	-40.3	175.8	0	0	0	0	0	111.7	S749 H753 Q754	S749-A751 PolarHBondContact O-N 3.42Å; A751-H753 PolarHBondContact O-N 3.17Å; A751-Q754 PolarHBondContact O-N 3.07Å; A751-Q754 VanDerWaalsContact O-N 3.11Å
752	L	41.1	Very low	52.7	Low	73 Å²	73	94.9 Å²	94.9	38%	0.382	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-26.7	174.8	-71.6	164.7	0	0	0	112.2	I748 S749 Q754 R756	I748-L752 HydrophobicContact CG2-CD1 4.12Å; S749-L752 PolarHBondContact O-N 2.9Å; L752-Q754 VanDerWaalsContact C-N 3.35Å; L752-R756 WeakPolarHBondContact O-CB 3.28Å; L752-R756 WeakPolarHBondContact O-CD 3.27Å; L752-R756 WeakPolarHBondContact O-CG 3.42Å; L752-R756 PolarHBondContact O-N 3.45Å
753	H	62.4	Low	54.9	Low	56 Å²	56	89.6 Å²	89.6	26%	0.259	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-34.9	172.4	-93.6	-79	0	0	0	112.7	S749 S750 A751 R756 T757 D796	S749-H753 PolarHBondContact O-CD2 3.06Å; S749-H753 PolarHBondContact O-N 2.95Å; S750-H753 WeakPolarHBondContact O-CB 3.23Å; S750-H753 PolarHBondContact O-N 3.31Å; A751-H753 PolarHBondContact O-N 3.17Å; H753-R756 PolarHBondContact O-N 2.94Å; H753-T757 WeakPolarHBondContact O-CG2 3.39Å; H753-T757 PolarHBondContact O-N 2.91Å; H753-T757 PolarHBondContact O-OG1 2.96Å; H753-D796 IonicContact CE1-OD1 3.84Å; H753-D796 PolarHBondContact CE1-OD1 3.08Å
754	Q	64.4	Low	57.1	Low	149 Å²	149	84.7 Å²	84.7	70%	0.696	47%	0.469	S	S	*	.	H	α-helix	trans	-72.5	-35.6	179.1	-70.8	-174.7	-27	0	0	113	A751 L752 T757 S758	A751-Q754 PolarHBondContact O-N 3.07Å; A751-Q754 VanDerWaalsContact O-N 3.11Å; L752-Q754 VanDerWaalsContact C-N 3.35Å; Q754-T757 PolarHBondContact O-OG1 3.33Å; Q754-S758 WeakPolarHBondContact O-CB 3.48Å; Q754-S758 PolarHBondContact O-N 2.93Å; Q754-S758 VanDerWaalsContact O-N 3.16Å; Q754-S758 PolarHBondContact O-OG 3.07Å
755	E	65.1	Low	59.3	Low	118 Å²	118	78.6 Å²	78.6	55%	0.551	45%	0.446	S	S	*	.	H	α-helix	trans	-66.4	-39.6	169.3	-67.7	-168.9	138.6	0	0	111.3	S758 Q759	E755-S758 PolarHBondContact O-OG 3.25Å; E755-Q759 WeakPolarHBondContact O-CB 3.47Å; E755-Q759 WeakPolarHBondContact O-CG 3.43Å; E755-Q759 PolarHBondContact O-N 3.15Å
756	R	69.3	Low	61.5	Low	112 Å²	112	80.2 Å²	80.2	42%	0.423	44%	0.439	S	S	.	.	H	α-helix	trans	-68.4	-42.8	178.2	-73.6	169.3	-177.9	-166.8	-0.1	113	L752 H753 Q759 L760 F792	L752-R756 WeakPolarHBondContact O-CB 3.28Å; L752-R756 WeakPolarHBondContact O-CD 3.27Å; L752-R756 WeakPolarHBondContact O-CG 3.42Å; L752-R756 PolarHBondContact O-N 3.45Å; H753-R756 PolarHBondContact O-N 2.94Å; R756-Q759 PolarHBondContact O-N 2.87Å; R756-L760 WeakPolarHBondContact O-CB 3.27Å; R756-L760 PolarHBondContact O-N 3.26Å; R756-F792 HydrophobicContact CB-CE1 4.27Å; R756-F792 HydrophobicContact CG-CE1 4.36Å
757	T	73.3	Confident	63.5	Low	33 Å²	33	74.1 Å²	74.1	20%	0.202	40%	0.402	C	S	.	.	H	α-helix	trans	-67	-38.5	177.4	55.3	0	0	0	0	111.5	H753 Q754 L760 S761 T800	H753-T757 WeakPolarHBondContact O-CG2 3.39Å; H753-T757 PolarHBondContact O-N 2.91Å; H753-T757 PolarHBondContact O-OG1 2.96Å; Q754-T757 PolarHBondContact O-OG1 3.33Å; T757-L760 PolarHBondContact O-N 3.45Å; T757-S761 VanDerWaalsContact O-CB 3.32Å; T757-S761 WeakPolarHBondContact O-CB 3.39Å; T757-S761 PolarHBondContact O-N 3.16Å; T757-S761 PolarHBondContact O-OG 2.83Å; T757-T800 HydrophobicContact CG2-CG2 4.3Å
758	S	72.6	Confident	65.3	Low	61 Å²	61	70 Å²	70	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-69.2	-38.9	176	54.6	0	0	0	0	113	Q754 E755 S761 T762	Q754-S758 WeakPolarHBondContact O-CB 3.48Å; Q754-S758 PolarHBondContact O-N 2.93Å; Q754-S758 VanDerWaalsContact O-N 3.16Å; Q754-S758 PolarHBondContact O-OG 3.07Å; E755-S758 PolarHBondContact O-OG 3.25Å; S758-S761 PolarHBondContact O-OG 2.82Å; S758-T762 WeakPolarHBondContact O-CB 3.36Å; S758-T762 PolarHBondContact O-N 2.72Å; S758-T762 VanDerWaalsContact O-N 3.11Å; S758-T762 PolarHBondContact O-OG1 2.86Å
759	Q	75.1	Confident	67.4	Low	110 Å²	110	70.5 Å²	70.5	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-45.7	170.3	-72.8	168.7	22.3	0	0	111.5	E755 R756 T762 M763	E755-Q759 WeakPolarHBondContact O-CB 3.47Å; E755-Q759 WeakPolarHBondContact O-CG 3.43Å; E755-Q759 PolarHBondContact O-N 3.15Å; R756-Q759 PolarHBondContact O-N 2.87Å; Q759-T762 WeakPolarHBondContact O-CB 3.36Å; Q759-T762 PolarHBondContact O-N 2.88Å; Q759-M763 WeakPolarHBondContact O-CG 3.47Å; Q759-M763 PolarHBondContact O-N 3.12Å
760	L	77	Confident	69.3	Low	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-73.4	-33.4	-177.3	-163.6	147	0	0	0	112.3	R756 T757 T762 M763 I764 V785 F792 V797 T800	R756-L760 WeakPolarHBondContact O-CB 3.27Å; R756-L760 PolarHBondContact O-N 3.26Å; T757-L760 PolarHBondContact O-N 3.45Å; L760-T762 VanDerWaalsContact C-N 3.31Å; L760-T762 PolarHBondContact O-N 2.9Å; L760-M763 WeakPolarHBondContact O-CB 3.43Å; L760-M763 PolarHBondContact O-N 3.09Å; L760-I764 HydrophobicContact CD2-CD1 3.5Å; L760-I764 HydrophobicContact CD2-CG1 4.05Å; L760-I764 WeakPolarHBondContact O-CG1 3.19Å; L760-I764 PolarHBondContact O-N 3.26Å; L760-V785 HydrophobicContact CD1-CG1 4.17Å; L760-F792 HydrophobicContact CB-CZ 4.48Å; L760-F792 HydrophobicContact CD1-CB 4.12Å; L760-F792 HydrophobicContact CD1-CD1 3.63Å; L760-F792 HydrophobicContact CD1-CD2 3.72Å; L760-F792 HydrophobicContact CD1-CE1 3.87Å; L760-F792 HydrophobicContact CD1-CE2 3.94Å; L760-F792 HydrophobicContact CD1-CG 3.55Å; L760-F792 HydrophobicContact CD1-CZ 4.01Å; L760-V797 HydrophobicContact CD1-CG2 4.23Å; L760-T800 HydrophobicContact CB-CG2 4.29Å; L760-T800 HydrophobicContact CD2-CG2 3.66Å
761	S	76.4	Confident	70.3	Confident	16 Å²	16	71.8 Å²	71.8	11%	0.112	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-38.9	169.9	69.2	0	0	0	0	111.4	T757 S758 M763 I764 S765 M804	T757-S761 VanDerWaalsContact O-CB 3.32Å; T757-S761 WeakPolarHBondContact O-CB 3.39Å; T757-S761 PolarHBondContact O-N 3.16Å; T757-S761 PolarHBondContact O-OG 2.83Å; S758-S761 PolarHBondContact O-OG 2.82Å; S761-M763 VanDerWaalsContact C-N 3.34Å; S761-I764 PolarHBondContact O-N 3.32Å; S761-S765 PolarHBondContact O-N 3.33Å; S761-S765 PolarHBondContact O-OG 2.86Å; S761-M804 VanDerWaalsContact CB-SD 3.52Å
762	T	79.9	Confident	71.7	Confident	93 Å²	93	76.7 Å²	76.7	57%	0.571	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-37.9	175.1	-53.7	0	0	0	0	111.4	S758 Q759 L760 R766	S758-T762 WeakPolarHBondContact O-CB 3.36Å; S758-T762 PolarHBondContact O-N 2.72Å; S758-T762 VanDerWaalsContact O-N 3.11Å; S758-T762 PolarHBondContact O-OG1 2.86Å; Q759-T762 WeakPolarHBondContact O-CB 3.36Å; Q759-T762 PolarHBondContact O-N 2.88Å; L760-T762 VanDerWaalsContact C-N 3.31Å; L760-T762 PolarHBondContact O-N 2.9Å; T762-R766 WeakPolarHBondContact O-CB 3.41Å; T762-R766 PolarHBondContact O-N 3.08Å; T762-R766 VanDerWaalsContact O-N 3.15Å
763	M	75.3	Confident	73.3	Confident	59 Å²	59	77.8 Å²	77.8	29%	0.291	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-44.7	172.1	-68.7	-88.9	-125.6	0	0	111.8	Q759 L760 S761 R766 I767 R788	Q759-M763 WeakPolarHBondContact O-CG 3.47Å; Q759-M763 PolarHBondContact O-N 3.12Å; L760-M763 WeakPolarHBondContact O-CB 3.43Å; L760-M763 PolarHBondContact O-N 3.09Å; S761-M763 VanDerWaalsContact C-N 3.34Å; M763-R766 WeakPolarHBondContact O-CB 3.49Å; M763-R766 PolarHBondContact O-N 3.16Å; M763-I767 WeakPolarHBondContact O-CD1 3.02Å; M763-I767 VanDerWaalsContact O-CG1 3.28Å; M763-I767 WeakPolarHBondContact O-CG1 3.25Å; M763-I767 PolarHBondContact O-N 2.76Å; M763-R788 HydrophobicContact CE-CB 4.33Å
764	I	78.4	Confident	73.8	Confident	2 Å²	2	82.2 Å²	82.2	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-51.1	177.8	-72.7	174.6	0	0	0	111	L760 S761 R766 I767 F768 I781 L801 M804 I810	L760-I764 HydrophobicContact CD2-CD1 3.5Å; L760-I764 HydrophobicContact CD2-CG1 4.05Å; L760-I764 WeakPolarHBondContact O-CG1 3.19Å; L760-I764 PolarHBondContact O-N 3.26Å; S761-I764 PolarHBondContact O-N 3.32Å; I764-R766 PolarHBondContact O-N 3.46Å; I764-I767 PolarHBondContact O-N 3.01Å; I764-F768 HydrophobicContact CG2-CD2 3.78Å; I764-F768 HydrophobicContact CG2-CE2 3.67Å; I764-F768 WeakPolarHBondContact O-CD2 3.3Å; I764-F768 PolarHBondContact O-N 3.32Å; I764-I781 HydrophobicContact CD1-CG2 4.41Å; I764-I781 HydrophobicContact CG1-CG2 4.33Å; I764-L801 HydrophobicContact CD1-CD2 3.92Å; I764-L801 HydrophobicContact CD1-CG 4.35Å; I764-M804 HydrophobicContact CB-SD 4.26Å; I764-M804 HydrophobicContact CD1-SD 4.03Å; I764-M804 HydrophobicContact CG2-CE 4.13Å; I764-M804 HydrophobicContact CG2-SD 4.18Å; I764-I810 HydrophobicContact CG2-CD1 3.78Å
765	S	74.3	Confident	74.4	Confident	51 Å²	51	79.1 Å²	79.1	36%	0.357	38%	0.38	S	S	.	.	H	α-helix	trans	-55.4	-36.3	176.5	-62.7	0	0	0	0	112.2	S761 Q769	S761-S765 PolarHBondContact O-N 3.33Å; S761-S765 PolarHBondContact O-OG 2.86Å; S765-Q769 WeakPolarHBondContact O-CG 3.45Å; S765-Q769 PolarHBondContact O-N 3.27Å; S765-Q769 VanDerWaalsContact O-N 3.13Å
766	R	79	Confident	74.9	Confident	151 Å²	151	73.8 Å²	73.8	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-70.6	-37.2	176.3	-163.8	177.9	-167.4	144.8	7.4	112.9	T762 M763 I764 Q769 E770	T762-R766 WeakPolarHBondContact O-CB 3.41Å; T762-R766 PolarHBondContact O-N 3.08Å; T762-R766 VanDerWaalsContact O-N 3.15Å; M763-R766 WeakPolarHBondContact O-CB 3.49Å; M763-R766 PolarHBondContact O-N 3.16Å; I764-R766 PolarHBondContact O-N 3.46Å; R766-Q769 PolarHBondContact O-N 3.36Å; R766-E770 HydrophobicContact CG-CG 4.45Å; R766-E770 IonicContact NE-OE1 2.91Å; R766-E770 WeakPolarHBondContact O-CB 3.48Å; R766-E770 VanDerWaalsContact O-CG 3.23Å; R766-E770 WeakPolarHBondContact O-CG 3.44Å; R766-E770 PolarHBondContact O-N 2.73Å
767	I	75.8	Confident	75.4	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-42.5	175.9	-68.9	160.8	0	0	0	111	M763 I764 E770 R771 L776 V784 V785	M763-I767 WeakPolarHBondContact O-CD1 3.02Å; M763-I767 VanDerWaalsContact O-CG1 3.28Å; M763-I767 WeakPolarHBondContact O-CG1 3.25Å; M763-I767 PolarHBondContact O-N 2.76Å; I764-I767 PolarHBondContact O-N 3.01Å; I767-E770 PolarHBondContact O-N 2.94Å; I767-R771 WeakPolarHBondContact O-CB 3.09Å; I767-R771 PolarHBondContact O-N 3.37Å; I767-R771 VanDerWaalsContact O-N 3.15Å; I767-L776 HydrophobicContact CG2-CD1 4.4Å; I767-V784 HydrophobicContact CD1-CB 4.33Å; I767-V784 HydrophobicContact CD1-CG1 3.62Å; I767-V784 HydrophobicContact CG1-CG1 3.85Å; I767-V784 HydrophobicContact CG2-CG1 4.39Å; I767-V785 HydrophobicContact CD1-CG2 4.34Å
768	F	76.4	Confident	75.5	Confident	12 Å²	12	70 Å²	70	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-45	173.4	-82.2	-75.2	0	0	0	111.7	I764 E770 R771 H772 L776 I810 V817 L819	I764-F768 HydrophobicContact CG2-CD2 3.78Å; I764-F768 HydrophobicContact CG2-CE2 3.67Å; I764-F768 WeakPolarHBondContact O-CD2 3.3Å; I764-F768 PolarHBondContact O-N 3.32Å; F768-E770 PolarHBondContact O-N 3.06Å; F768-R771 PolarHBondContact O-N 2.88Å; F768-H772 PolarHBondContact O-N 3.46Å; F768-L776 HydrophobicContact CE1-CB 4.21Å; F768-L776 HydrophobicContact CE1-CD1 4.48Å; F768-L776 HydrophobicContact CZ-CB 4.31Å; F768-I810 HydrophobicContact CE2-CD1 4.03Å; F768-V817 HydrophobicContact CE2-CG1 4.5Å; F768-V817 HydrophobicContact CZ-CG1 4.07Å; F768-L819 HydrophobicContact CB-CD2 4.44Å; F768-L819 HydrophobicContact CD1-CB 4.24Å; F768-L819 HydrophobicContact CD1-CD1 4.43Å; F768-L819 HydrophobicContact CD1-CD2 4.47Å; F768-L819 HydrophobicContact CD2-CD1 4.26Å; F768-L819 HydrophobicContact CE1-CB 4.23Å; F768-L819 HydrophobicContact CG-CD1 4.18Å
769	Q	76.2	Confident	75.7	Confident	145 Å²	145	71.2 Å²	71.2	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-62.5	-37.7	176.5	-75.5	175.7	-5.6	0	0	113.7	S765 R766	S765-Q769 WeakPolarHBondContact O-CG 3.45Å; S765-Q769 PolarHBondContact O-N 3.27Å; S765-Q769 VanDerWaalsContact O-N 3.13Å; R766-Q769 PolarHBondContact O-N 3.36Å
770	E	76.7	Confident	75.8	Confident	95 Å²	95	69.6 Å²	69.6	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-77.5	-26	-178.3	-73.4	165.5	154.3	0	0	113.7	R766 I767 F768 R788	R766-E770 HydrophobicContact CG-CG 4.45Å; R766-E770 IonicContact NE-OE1 2.91Å; R766-E770 WeakPolarHBondContact O-CB 3.48Å; R766-E770 VanDerWaalsContact O-CG 3.23Å; R766-E770 WeakPolarHBondContact O-CG 3.44Å; R766-E770 PolarHBondContact O-N 2.73Å; I767-E770 PolarHBondContact O-N 2.94Å; F768-E770 PolarHBondContact O-N 3.06Å; E770-R788 IonicContact OE1-CZ 2.75Å; E770-R788 IonicContact OE1-NH1 3.4Å; E770-R788 IonicContact OE1-NH2 3.35Å; E770-R788 PolarHBondContact OE1-NH2 3.12Å; E770-R788 IonicContact OE2-CZ 3.08Å; E770-R788 IonicContact OE2-NH1 2.62Å; E770-R788 PolarHBondContact OE2-NH1 2.86Å; E770-R788 IonicContact OE2-NH2 3.9Å; E770-R788 PolarHBondContact OE2-NH2 3.38Å
771	R	68.4	Low	75.8	Confident	95 Å²	95	69.7 Å²	69.7	36%	0.358	34%	0.342	S	S	.	.	H	α-helix	trans	-96.4	-19.5	-175.6	-79	-178.9	160.8	-147.8	-0.1	114.8	I767 F768 I773 E780	I767-R771 WeakPolarHBondContact O-CB 3.09Å; I767-R771 PolarHBondContact O-N 3.37Å; I767-R771 VanDerWaalsContact O-N 3.15Å; F768-R771 PolarHBondContact O-N 2.88Å; R771-I773 VanDerWaalsContact C-N 3.26Å; R771-I773 WeakPolarHBondContact O-CG1 3.38Å; R771-I773 PolarHBondContact O-N 2.9Å; R771-E780 IonicContact CZ-OE2 3.56Å; R771-E780 IonicContact NH1-OE2 3.58Å; R771-E780 PolarHBondContact NH1-OE2 3.21Å; R771-E780 IonicContact NH2-OE2 2.88Å; R771-E780 PolarHBondContact NH2-OE2 3.49Å
772	H	69.1	Low	75.7	Confident	174 Å²	174	69.7 Å²	69.7	81%	0.806	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.4	-177.5	-72	-72.3	0	0	0	114.1	F768	F768-H772 PolarHBondContact O-N 3.46Å
773	I	75	Confident	75.7	Confident	95 Å²	95	70 Å²	70	49%	0.487	34%	0.34	S	S	.	.			trans	-130.9	135.3	177.6	-60	162.7	0	0	0	108.4	R771 Q775	R771-I773 VanDerWaalsContact C-N 3.26Å; R771-I773 WeakPolarHBondContact O-CG1 3.38Å; R771-I773 PolarHBondContact O-N 2.9Å; I773-Q775 VanDerWaalsContact CG2-O 3.23Å; I773-Q775 WeakPolarHBondContact CG2-O 3.23Å
774	E	72.1	Confident	75.6	Confident	149 Å²	149	68.4 Å²	68.4	70%	0.696	33%	0.333	S	S	*	.	S	Bend	trans	-83.2	-21.3	-173.8	-65	168.6	170.7	0	0	113.6	W818 L819	E774-W818 WeakPolarHBondContact O-CA 3.48Å; E774-L819 PolarHBondContact O-N 3.2Å
775	Q	77.5	Confident	75.4	Confident	85 Å²	85	68.5 Å²	68.5	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.6	-178.6	-177.7	-173	6.9	0	0	110.4	I773 D816 V817 W818	I773-Q775 VanDerWaalsContact CG2-O 3.23Å; I773-Q775 WeakPolarHBondContact CG2-O 3.23Å; Q775-D816 PolarHBondContact NE2-OD2 2.83Å; Q775-V817 CarbonylContact C-O 3.6Å; Q775-W818 HydrophobicContact CB-CD2 4.28Å; Q775-W818 HydrophobicContact CB-CE3 4.08Å; Q775-W818 HydrophobicContact CB-CH2 4.17Å; Q775-W818 HydrophobicContact CB-CZ2 4.36Å; Q775-W818 HydrophobicContact CB-CZ3 4.03Å; Q775-W818 VanDerWaalsContact CD-CZ2 3.48Å; Q775-W818 HydrophobicContact CG-CD2 4.23Å; Q775-W818 HydrophobicContact CG-CE3 4.43Å; Q775-W818 HydrophobicContact CG-CH2 3.99Å; Q775-W818 HydrophobicContact CG-CZ2 3.76Å; Q775-W818 HydrophobicContact CG-CZ3 4.33Å
776	L	74.9	Confident	75.4	Confident	5 Å²	5	75.5 Å²	75.5	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.9	179.9	-132.4	142.1	0	0	0	111.4	I767 F768 E780 I781 V817	I767-L776 HydrophobicContact CG2-CD1 4.4Å; F768-L776 HydrophobicContact CE1-CB 4.21Å; F768-L776 HydrophobicContact CE1-CD1 4.48Å; F768-L776 HydrophobicContact CZ-CB 4.31Å; L776-E780 HydrophobicContact CD2-CB 3.64Å; L776-I781 HydrophobicContact CB-CD1 4.45Å; L776-I781 HydrophobicContact CB-CG1 4.41Å; L776-I781 HydrophobicContact CD2-CG1 3.62Å; L776-V817 PolarHBondContact N-O 3.25Å; L776-V817 WeakPolarHBondContact O-CA 3.28Å; L776-V817 VanDerWaalsContact O-CB 3.29Å; L776-V817 WeakPolarHBondContact O-CB 3.49Å; L776-V817 PolarHBondContact O-N 3.05Å
777	T	80.5	Confident	75.2	Confident	40 Å²	40	72.9 Å²	72.9	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	145.9	-178.7	62.2	0	0	0	0	111.6	T779 E780 I781 D815	T777-T779 PolarHBondContact O-N 2.75Å; T777-T779 PolarHBondContact OG1-OG1 3Å; T777-E780 PolarHBondContact O-N 2.68Å; T777-E780 VanDerWaalsContact O-N 3.07Å; T777-E780 WeakPolarHBondContact OG1-CB 3.37Å; T777-E780 WeakPolarHBondContact OG1-CG 3.4Å; T777-E780 PolarHBondContact OG1-N 3.2Å; T777-E780 PolarHBondContact OG1-OE1 3.36Å; T777-I781 WeakPolarHBondContact O-CG1 3.39Å; T777-I781 PolarHBondContact O-N 2.89Å; T777-D815 CarbonylContact C-O 3.58Å; T777-D815 WeakPolarHBondContact CA-O 3.28Å
778	V	75.3	Confident	74.7	Confident	27 Å²	27	77.4 Å²	77.4	16%	0.164	37%	0.374	C	S	.	.	H	α-helix	trans	-59	-31.8	175	173.5	0	0	0	0	111.4	T782 L801 D815 V817	V778-T782 HydrophobicContact CG1-CG2 4.43Å; V778-T782 WeakPolarHBondContact O-CB 3.36Å; V778-T782 WeakPolarHBondContact O-CG2 3.29Å; V778-T782 PolarHBondContact O-N 3.19Å; V778-T782 PolarHBondContact O-OG1 2.86Å; V778-L801 HydrophobicContact CG2-CD1 4.15Å; V778-D815 WeakPolarHBondContact CG2-O 3.47Å; V778-D815 PolarHBondContact N-O 3.36Å; V778-V817 HydrophobicContact CG2-CG2 3.59Å
779	T	77	Confident	73.8	Confident	85 Å²	85	80.3 Å²	80.3	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-68.3	-37.4	175.6	59.5	0	0	0	0	112.3	T777 T782 N783	T777-T779 PolarHBondContact O-N 2.75Å; T777-T779 PolarHBondContact OG1-OG1 3Å; T779-T782 WeakPolarHBondContact CA-OG1 3.19Å; T779-T782 PolarHBondContact O-OG1 3.47Å; T779-T782 VanDerWaalsContact O-OG1 3.08Å; T779-N783 WeakPolarHBondContact O-CB 3.03Å; T779-N783 VanDerWaalsContact O-CG 3.25Å; T779-N783 PolarHBondContact O-N 3.2Å; T779-N783 VanDerWaalsContact O-N 3.09Å; T779-N783 PolarHBondContact O-ND2 3.22Å
780	E	76.5	Confident	73	Confident	76 Å²	76	74.4 Å²	74.4	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-71.5	-42.6	171.9	-78.1	-175.2	-103.4	0	0	113	R771 L776 T777 T782 N783 V784	R771-E780 IonicContact CZ-OE2 3.56Å; R771-E780 IonicContact NH1-OE2 3.58Å; R771-E780 PolarHBondContact NH1-OE2 3.21Å; R771-E780 IonicContact NH2-OE2 2.88Å; R771-E780 PolarHBondContact NH2-OE2 3.49Å; L776-E780 HydrophobicContact CD2-CB 3.64Å; T777-E780 PolarHBondContact O-N 2.68Å; T777-E780 VanDerWaalsContact O-N 3.07Å; T777-E780 WeakPolarHBondContact OG1-CB 3.37Å; T777-E780 WeakPolarHBondContact OG1-CG 3.4Å; T777-E780 PolarHBondContact OG1-N 3.2Å; T777-E780 PolarHBondContact OG1-OE1 3.36Å; E780-T782 VanDerWaalsContact C-N 3.34Å; E780-T782 PolarHBondContact O-N 2.87Å; E780-N783 PolarHBondContact O-N 2.71Å; E780-V784 WeakPolarHBondContact O-CG2 3.45Å; E780-V784 PolarHBondContact O-N 3.11Å
781	I	76.2	Confident	72.3	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.015	41%	0.409	C	S	.	.	H	α-helix	trans	-57.7	-48.9	175.9	-64.4	172.9	0	0	0	110	I764 L776 T777 N783 V784 V785 V797 L801 V817	I764-I781 HydrophobicContact CD1-CG2 4.41Å; I764-I781 HydrophobicContact CG1-CG2 4.33Å; L776-I781 HydrophobicContact CB-CD1 4.45Å; L776-I781 HydrophobicContact CB-CG1 4.41Å; L776-I781 HydrophobicContact CD2-CG1 3.62Å; T777-I781 WeakPolarHBondContact O-CG1 3.39Å; T777-I781 PolarHBondContact O-N 2.89Å; I781-N783 VanDerWaalsContact C-N 3.34Å; I781-N783 PolarHBondContact O-N 2.66Å; I781-V784 PolarHBondContact O-N 3.2Å; I781-V785 HydrophobicContact CG2-CG2 4.27Å; I781-V785 WeakPolarHBondContact O-CB 3.37Å; I781-V785 VanDerWaalsContact O-CG2 3.3Å; I781-V785 WeakPolarHBondContact O-CG2 3.25Å; I781-V785 PolarHBondContact O-N 3.41Å; I781-V797 HydrophobicContact CG2-CG1 3.94Å; I781-L801 HydrophobicContact CD1-CD1 4.48Å; I781-L801 HydrophobicContact CD1-CD2 4.3Å; I781-V817 HydrophobicContact CD1-CB 3.74Å; I781-V817 HydrophobicContact CD1-CG1 3.98Å; I781-V817 HydrophobicContact CD1-CG2 3.64Å
782	T	76	Confident	72.1	Confident	17 Å²	17	71.9 Å²	71.9	10%	0.104	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-37.8	178.1	49.3	0	0	0	0	112.6	V778 T779 E780 R786 Q794 V797	V778-T782 HydrophobicContact CG1-CG2 4.43Å; V778-T782 WeakPolarHBondContact O-CB 3.36Å; V778-T782 WeakPolarHBondContact O-CG2 3.29Å; V778-T782 PolarHBondContact O-N 3.19Å; V778-T782 PolarHBondContact O-OG1 2.86Å; T779-T782 WeakPolarHBondContact CA-OG1 3.19Å; T779-T782 PolarHBondContact O-OG1 3.47Å; T779-T782 VanDerWaalsContact O-OG1 3.08Å; E780-T782 VanDerWaalsContact C-N 3.34Å; E780-T782 PolarHBondContact O-N 2.87Å; T782-R786 WeakPolarHBondContact O-CB 3.44Å; T782-R786 PolarHBondContact O-N 2.78Å; T782-Q794 HydrophobicContact CG2-CG 4.27Å; T782-V797 HydrophobicContact CG2-CB 3.89Å; T782-V797 HydrophobicContact CG2-CG1 3.73Å; T782-V797 HydrophobicContact CG2-CG2 4.12Å
783	N	78.7	Confident	72.4	Confident	99 Å²	99	65.8 Å²	65.8	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-67.8	-39.4	175.2	-78.5	-37	0	0	0	113.3	T779 E780 I781 R786 S787	T779-N783 WeakPolarHBondContact O-CB 3.03Å; T779-N783 VanDerWaalsContact O-CG 3.25Å; T779-N783 PolarHBondContact O-N 3.2Å; T779-N783 VanDerWaalsContact O-N 3.09Å; T779-N783 PolarHBondContact O-ND2 3.22Å; E780-N783 PolarHBondContact O-N 2.71Å; I781-N783 VanDerWaalsContact C-N 3.34Å; I781-N783 PolarHBondContact O-N 2.66Å; N783-R786 PolarHBondContact O-N 3.25Å; N783-S787 PolarHBondContact O-N 3.26Å; N783-S787 PolarHBondContact O-OG 2.85Å
784	V	73.1	Confident	72.3	Confident	25 Å²	25	68.3 Å²	68.3	15%	0.152	39%	0.388	C	S	.	.	H	α-helix	trans	-74.2	-36.9	178.6	176	0	0	0	0	112	I767 E780 I781 R786 S787 R788	I767-V784 HydrophobicContact CD1-CB 4.33Å; I767-V784 HydrophobicContact CD1-CG1 3.62Å; I767-V784 HydrophobicContact CG1-CG1 3.85Å; I767-V784 HydrophobicContact CG2-CG1 4.39Å; E780-V784 WeakPolarHBondContact O-CG2 3.45Å; E780-V784 PolarHBondContact O-N 3.11Å; I781-V784 PolarHBondContact O-N 3.2Å; V784-R786 VanDerWaalsContact C-N 3.34Å; V784-S787 PolarHBondContact O-N 3.04Å; V784-S787 PolarHBondContact O-OG 3.27Å; V784-S787 VanDerWaalsContact O-OG 3.09Å; V784-R788 WeakPolarHBondContact O-CB 2.82Å; V784-R788 WeakPolarHBondContact O-CG 3.44Å; V784-R788 PolarHBondContact O-N 3.4Å
785	V	75	Confident	72.2	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.03	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-42	171.7	169.4	0	0	0	0	110.5	L760 I767 I781 R788 F792 V797	L760-V785 HydrophobicContact CD1-CG1 4.17Å; I767-V785 HydrophobicContact CD1-CG2 4.34Å; I781-V785 HydrophobicContact CG2-CG2 4.27Å; I781-V785 WeakPolarHBondContact O-CB 3.37Å; I781-V785 VanDerWaalsContact O-CG2 3.3Å; I781-V785 WeakPolarHBondContact O-CG2 3.25Å; I781-V785 PolarHBondContact O-N 3.41Å; V785-R788 PolarHBondContact O-N 3.46Å; V785-F792 HydrophobicContact CG1-CB 4.21Å; V785-F792 HydrophobicContact CG1-CD2 3.61Å; V785-F792 HydrophobicContact CG1-CE2 4.42Å; V785-F792 HydrophobicContact CG1-CG 4.27Å; V785-V797 HydrophobicContact CB-CG2 4.47Å; V785-V797 HydrophobicContact CG1-CG2 4.11Å
786	R	75	Confident	72.2	Confident	198 Å²	198	61.8 Å²	61.8	75%	0.747	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-35.7	178.9	-167.3	176.4	-167.4	171.9	5.3	113.2	T782 N783 V784 R788	T782-R786 WeakPolarHBondContact O-CB 3.44Å; T782-R786 PolarHBondContact O-N 2.78Å; N783-R786 PolarHBondContact O-N 3.25Å; V784-R786 VanDerWaalsContact C-N 3.34Å; R786-R788 VanDerWaalsContact C-N 3.33Å
787	S	73	Confident	72.3	Confident	96 Å²	96	61.7 Å²	61.7	67%	0.671	37%	0.366	S	S	*	.	H	α-helix	trans	-75.2	-21.7	175.6	67.7	0	0	0	0	113.4	N783 V784 G789	N783-S787 PolarHBondContact O-N 3.26Å; N783-S787 PolarHBondContact O-OG 2.85Å; V784-S787 PolarHBondContact O-N 3.04Å; V784-S787 PolarHBondContact O-OG 3.27Å; V784-S787 VanDerWaalsContact O-OG 3.09Å; S787-G789 VanDerWaalsContact C-N 3.29Å; S787-G789 PolarHBondContact O-N 3.02Å
788	R	67.1	Low	72.3	Confident	100 Å²	100	66.5 Å²	66.5	38%	0.377	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.5	177.3	-75.1	-177	158	-179.4	-8.5	115.3	M763 E770 V784 V785 R786 G790	M763-R788 HydrophobicContact CE-CB 4.33Å; E770-R788 IonicContact OE1-CZ 2.75Å; E770-R788 IonicContact OE1-NH1 3.4Å; E770-R788 IonicContact OE1-NH2 3.35Å; E770-R788 PolarHBondContact OE1-NH2 3.12Å; E770-R788 IonicContact OE2-CZ 3.08Å; E770-R788 IonicContact OE2-NH1 2.62Å; E770-R788 PolarHBondContact OE2-NH1 2.86Å; E770-R788 IonicContact OE2-NH2 3.9Å; E770-R788 PolarHBondContact OE2-NH2 3.38Å; V784-R788 WeakPolarHBondContact O-CB 2.82Å; V784-R788 WeakPolarHBondContact O-CG 3.44Å; V784-R788 PolarHBondContact O-N 3.4Å; V785-R788 PolarHBondContact O-N 3.46Å; R786-R788 VanDerWaalsContact C-N 3.33Å; R788-G790 PolarHBondContact O-N 2.79Å
789	G	56.6	Low	72.4	Confident	73 Å²	73	69.4 Å²	69.4	75%	0.753	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	9	161.2	0	0	0	0	0	116.5	S787	S787-G789 VanDerWaalsContact C-N 3.29Å; S787-G789 PolarHBondContact O-N 3.02Å
790	G	58.4	Low	72.4	Confident	20 Å²	20	65.6 Å²	65.6	21%	0.206	37%	0.37	C	S	.	.			trans	-87.5	128.9	166.9	0	0	0	0	0	111	R788 F792	R788-G790 PolarHBondContact O-N 2.79Å; G790-F792 PolarHBondContact O-N 3.02Å
791	G	63.7	Low	72.5	Confident	91 Å²	91	62 Å²	62	94%	0.938	35%	0.353	S	S	*	.			trans	-73.8	41.9	-180	0	0	0	0	0	114.7
792	F	64.4	Low	72.7	Confident	47 Å²	47	65 Å²	65	21%	0.206	37%	0.367	C	S	.	.			trans	-79.3	139.5	-175.9	-58.2	-72.1	0	0	0	111.8	R756 L760 V785 G790 D796 V797	R756-F792 HydrophobicContact CB-CE1 4.27Å; R756-F792 HydrophobicContact CG-CE1 4.36Å; L760-F792 HydrophobicContact CB-CZ 4.48Å; L760-F792 HydrophobicContact CD1-CB 4.12Å; L760-F792 HydrophobicContact CD1-CD1 3.63Å; L760-F792 HydrophobicContact CD1-CD2 3.72Å; L760-F792 HydrophobicContact CD1-CE1 3.87Å; L760-F792 HydrophobicContact CD1-CE2 3.94Å; L760-F792 HydrophobicContact CD1-CG 3.55Å; L760-F792 HydrophobicContact CD1-CZ 4.01Å; V785-F792 HydrophobicContact CG1-CB 4.21Å; V785-F792 HydrophobicContact CG1-CD2 3.61Å; V785-F792 HydrophobicContact CG1-CE2 4.42Å; V785-F792 HydrophobicContact CG1-CG 4.27Å; G790-F792 PolarHBondContact O-N 3.02Å; F792-D796 HydrophobicContact CB-CB 4.25Å; F792-D796 HydrophobicContact CD1-CB 4.37Å; F792-V797 HydrophobicContact CB-CG2 4.49Å
793	S	74.9	Confident	72.9	Confident	46 Å²	46	66.2 Å²	66.2	32%	0.322	38%	0.376	S	S	.	.			trans	-78.1	162.3	170.9	66.5	0	0	0	0	111.6	S795 D796 V797	S793-S795 WeakPolarHBondContact CB-OG 3.48Å; S793-S795 PolarHBondContact O-N 3.12Å; S793-S795 PolarHBondContact OG-OG 3.13Å; S793-D796 WeakPolarHBondContact CB-OD2 3.37Å; S793-D796 PolarHBondContact N-OD2 2.82Å; S793-D796 PolarHBondContact O-N 2.9Å; S793-D796 VanDerWaalsContact O-N 3.14Å; S793-D796 PolarHBondContact OG-N 1.87Å; S793-D796 PolarHBondContact OG-OD2 2.85Å; S793-V797 PolarHBondContact O-N 3.37Å
794	Q	71.6	Confident	72.8	Confident	148 Å²	148	61.7 Å²	61.7	69%	0.692	35%	0.352	S	S	*	.	H	α-helix	trans	-61	-32	170.6	-72.9	179.5	-49.7	0	0	111.6	T782 R798	T782-Q794 HydrophobicContact CG2-CG 4.27Å; Q794-R798 WeakPolarHBondContact O-CB 3.36Å; Q794-R798 PolarHBondContact O-N 3.19Å
795	S	71.4	Confident	73.2	Confident	70 Å²	70	63.8 Å²	63.8	49%	0.49	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-42.3	170.9	28.1	0	0	0	0	113	S793 V797 R798 I799	S793-S795 WeakPolarHBondContact CB-OG 3.48Å; S793-S795 PolarHBondContact O-N 3.12Å; S793-S795 PolarHBondContact OG-OG 3.13Å; S795-V797 PolarHBondContact O-N 3.16Å; S795-R798 PolarHBondContact O-N 3.05Å; S795-I799 WeakPolarHBondContact O-CB 3.33Å; S795-I799 WeakPolarHBondContact O-CD1 3.45Å; S795-I799 WeakPolarHBondContact O-CG1 3.45Å; S795-I799 PolarHBondContact O-N 3.25Å
796	D	77.5	Confident	73.5	Confident	27 Å²	27	73 Å²	73	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.2	-64.4	-56.5	0	0	0	111.5	H753 F792 S793 T800	H753-D796 IonicContact CE1-OD1 3.84Å; H753-D796 PolarHBondContact CE1-OD1 3.08Å; F792-D796 HydrophobicContact CB-CB 4.25Å; F792-D796 HydrophobicContact CD1-CB 4.37Å; S793-D796 WeakPolarHBondContact CB-OD2 3.37Å; S793-D796 PolarHBondContact N-OD2 2.82Å; S793-D796 PolarHBondContact O-N 2.9Å; S793-D796 VanDerWaalsContact O-N 3.14Å; S793-D796 PolarHBondContact OG-N 1.87Å; S793-D796 PolarHBondContact OG-OD2 2.85Å; D796-T800 WeakPolarHBondContact O-CB 3.12Å; D796-T800 PolarHBondContact O-N 3.28Å; D796-T800 PolarHBondContact O-OG1 3.49Å
797	V	76.7	Confident	73.7	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177.5	179	0	0	0	0	110.4	L760 I781 T782 V785 F792 S793 S795 T800 L801	L760-V797 HydrophobicContact CD1-CG2 4.23Å; I781-V797 HydrophobicContact CG2-CG1 3.94Å; T782-V797 HydrophobicContact CG2-CB 3.89Å; T782-V797 HydrophobicContact CG2-CG1 3.73Å; T782-V797 HydrophobicContact CG2-CG2 4.12Å; V785-V797 HydrophobicContact CB-CG2 4.47Å; V785-V797 HydrophobicContact CG1-CG2 4.11Å; F792-V797 HydrophobicContact CB-CG2 4.49Å; S793-V797 PolarHBondContact O-N 3.37Å; S795-V797 PolarHBondContact O-N 3.16Å; V797-T800 PolarHBondContact O-N 3.2Å; V797-L801 HydrophobicContact CG1-CD1 4.06Å; V797-L801 HydrophobicContact CG1-CG 4.49Å; V797-L801 WeakPolarHBondContact O-CG 3.25Å; V797-L801 PolarHBondContact O-N 3.25Å
798	R	80.2	Confident	73.9	Confident	140 Å²	140	69.1 Å²	69.1	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-48	178.8	-173.6	175.3	-178.4	123.4	6.1	112.6	Q794 S795 T800 L801 E802	Q794-R798 WeakPolarHBondContact O-CB 3.36Å; Q794-R798 PolarHBondContact O-N 3.19Å; S795-R798 PolarHBondContact O-N 3.05Å; R798-T800 VanDerWaalsContact C-N 3.25Å; R798-T800 PolarHBondContact O-N 3.27Å; R798-L801 PolarHBondContact O-N 3.07Å; R798-E802 HydrophobicContact CG-CG 4.49Å; R798-E802 VanDerWaalsContact CG-OE1 3.31Å; R798-E802 WeakPolarHBondContact CG-OE1 3.23Å; R798-E802 IonicContact CZ-OE1 3.61Å; R798-E802 IonicContact NE-OE1 2.89Å; R798-E802 PolarHBondContact NE-OE1 3.31Å; R798-E802 IonicContact NH2-OE1 2.96Å; R798-E802 WeakPolarHBondContact O-CB 3.35Å; R798-E802 WeakPolarHBondContact O-CG 3.22Å; R798-E802 PolarHBondContact O-N 3.02Å
799	I	77.4	Confident	74.1	Confident	88 Å²	88	71 Å²	71	45%	0.451	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-37.4	176.7	-68.6	163.8	0	0	0	110.8	S795 S803	S795-I799 WeakPolarHBondContact O-CB 3.33Å; S795-I799 WeakPolarHBondContact O-CD1 3.45Å; S795-I799 WeakPolarHBondContact O-CG1 3.45Å; S795-I799 PolarHBondContact O-N 3.25Å; I799-S803 WeakPolarHBondContact O-CB 3.43Å; I799-S803 PolarHBondContact O-N 3.11Å
800	T	76.9	Confident	75.2	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-71.1	-39.2	176.6	-49.2	0	0	0	0	112	T757 L760 D796 V797 R798 S803 M804	T757-T800 HydrophobicContact CG2-CG2 4.3Å; L760-T800 HydrophobicContact CB-CG2 4.29Å; L760-T800 HydrophobicContact CD2-CG2 3.66Å; D796-T800 WeakPolarHBondContact O-CB 3.12Å; D796-T800 PolarHBondContact O-N 3.28Å; D796-T800 PolarHBondContact O-OG1 3.49Å; V797-T800 PolarHBondContact O-N 3.2Å; R798-T800 VanDerWaalsContact C-N 3.25Å; R798-T800 PolarHBondContact O-N 3.27Å; T800-S803 WeakPolarHBondContact O-CB 3.23Å; T800-S803 PolarHBondContact O-N 3.47Å; T800-M804 HydrophobicContact CG2-SD 4.49Å; T800-M804 WeakPolarHBondContact O-CG 3.41Å; T800-M804 PolarHBondContact O-N 2.87Å
801	L	79.5	Confident	76.3	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-43.7	173.5	-75.7	170.2	0	0	0	111.6	I764 V778 I781 V797 R798 S803 M804 H805 I810 L812 V817	I764-L801 HydrophobicContact CD1-CD2 3.92Å; I764-L801 HydrophobicContact CD1-CG 4.35Å; V778-L801 HydrophobicContact CG2-CD1 4.15Å; I781-L801 HydrophobicContact CD1-CD1 4.48Å; I781-L801 HydrophobicContact CD1-CD2 4.3Å; V797-L801 HydrophobicContact CG1-CD1 4.06Å; V797-L801 HydrophobicContact CG1-CG 4.49Å; V797-L801 WeakPolarHBondContact O-CG 3.25Å; V797-L801 PolarHBondContact O-N 3.25Å; R798-L801 PolarHBondContact O-N 3.07Å; L801-S803 VanDerWaalsContact C-N 3.28Å; L801-S803 PolarHBondContact O-N 3.3Å; L801-M804 PolarHBondContact O-N 3.21Å; L801-H805 WeakPolarHBondContact O-CB 3.39Å; L801-H805 PolarHBondContact O-N 2.94Å; L801-I810 HydrophobicContact CD2-CD1 4.23Å; L801-L812 HydrophobicContact CB-CD1 3.9Å; L801-L812 HydrophobicContact CD1-CD1 4.35Å; L801-V817 HydrophobicContact CD1-CG2 4.13Å; L801-V817 HydrophobicContact CD2-CG1 3.83Å; L801-V817 HydrophobicContact CD2-CG2 4.24Å
802	E	80.5	Confident	76.9	Confident	67 Å²	67	68.9 Å²	68.9	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-33.7	174.3	-70.9	170.2	-170.2	0	0	111.6	R798 R806	R798-E802 HydrophobicContact CG-CG 4.49Å; R798-E802 VanDerWaalsContact CG-OE1 3.31Å; R798-E802 WeakPolarHBondContact CG-OE1 3.23Å; R798-E802 IonicContact CZ-OE1 3.61Å; R798-E802 IonicContact NE-OE1 2.89Å; R798-E802 PolarHBondContact NE-OE1 3.31Å; R798-E802 IonicContact NH2-OE1 2.96Å; R798-E802 WeakPolarHBondContact O-CB 3.35Å; R798-E802 WeakPolarHBondContact O-CG 3.22Å; R798-E802 PolarHBondContact O-N 3.02Å; E802-R806 WeakPolarHBondContact O-CG 3.41Å; E802-R806 PolarHBondContact O-N 2.82Å; E802-R806 VanDerWaalsContact O-N 3.15Å
803	S	79	Confident	77.5	Confident	41 Å²	41	69.4 Å²	69.4	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-69	-44.9	170.7	-164.3	0	0	0	0	112.7	I799 T800 L801 H805 R806 D807	I799-S803 WeakPolarHBondContact O-CB 3.43Å; I799-S803 PolarHBondContact O-N 3.11Å; T800-S803 WeakPolarHBondContact O-CB 3.23Å; T800-S803 PolarHBondContact O-N 3.47Å; L801-S803 VanDerWaalsContact C-N 3.28Å; L801-S803 PolarHBondContact O-N 3.3Å; S803-H805 PolarHBondContact O-N 2.89Å; S803-R806 PolarHBondContact O-N 3.02Å; S803-D807 PolarHBondContact O-N 2.86Å
804	M	76.1	Confident	77.5	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-24.8	177.8	-71	-176.9	74.9	0	0	112.8	S761 I764 T800 L801 R809 I810	S761-M804 VanDerWaalsContact CB-SD 3.52Å; I764-M804 HydrophobicContact CB-SD 4.26Å; I764-M804 HydrophobicContact CD1-SD 4.03Å; I764-M804 HydrophobicContact CG2-CE 4.13Å; I764-M804 HydrophobicContact CG2-SD 4.18Å; T800-M804 HydrophobicContact CG2-SD 4.49Å; T800-M804 WeakPolarHBondContact O-CG 3.41Å; T800-M804 PolarHBondContact O-N 2.87Å; L801-M804 PolarHBondContact O-N 3.21Å; M804-R809 HydrophobicContact CE-CB 4.45Å; M804-R809 PolarHBondContact O-N 3.37Å; M804-I810 HydrophobicContact CB-CB 4.35Å; M804-I810 HydrophobicContact CB-CD1 4.15Å; M804-I810 HydrophobicContact CB-CG1 4.4Å; M804-I810 HydrophobicContact CE-CD1 3.58Å; M804-I810 HydrophobicContact CE-CG1 4.16Å; M804-I810 PolarHBondContact O-N 3.23Å; M804-I810 HydrophobicContact SD-CD1 3.98Å
805	H	81.7	Confident	77.7	Confident	68 Å²	68	68.6 Å²	68.6	32%	0.315	36%	0.355	S	S	.	.	H	α-helix	trans	-71.6	-46.4	170.8	-174.2	42.3	0	0	0	111.7	L801 S803 D807 N808 I810	L801-H805 WeakPolarHBondContact O-CB 3.39Å; L801-H805 PolarHBondContact O-N 2.94Å; S803-H805 PolarHBondContact O-N 2.89Å; H805-D807 VanDerWaalsContact C-N 3.25Å; H805-D807 PolarHBondContact O-N 3.11Å; H805-N808 PolarHBondContact O-N 2.65Å; H805-I810 WeakPolarHBondContact CA-O 3.46Å; H805-I810 PolarHBondContact ND1-O 3.06Å
806	R	81.5	Confident	78	Confident	198 Å²	198	67.4 Å²	67.4	75%	0.747	34%	0.343	S	S	*	.	H	α-helix	trans	-60.7	-32.8	171.8	-70	172.9	-174.6	155.5	5.3	113.1	E802 S803 N808	E802-R806 WeakPolarHBondContact O-CG 3.41Å; E802-R806 PolarHBondContact O-N 2.82Å; E802-R806 VanDerWaalsContact O-N 3.15Å; S803-R806 PolarHBondContact O-N 3.02Å; R806-N808 PolarHBondContact O-N 2.79Å
807	D	80	Confident	78.1	Confident	89 Å²	89	66.1 Å²	66.1	48%	0.476	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	3.7	175.3	-71	-17.8	0	0	0	113.7	S803 H805 R809	S803-D807 PolarHBondContact O-N 2.86Å; H805-D807 VanDerWaalsContact C-N 3.25Å; H805-D807 PolarHBondContact O-N 3.11Å; D807-R809 VanDerWaalsContact C-N 3.26Å; D807-R809 HydrophobicContact CB-CG 4.18Å; D807-R809 PolarHBondContact O-N 3.1Å
808	N	77.3	Confident	78.1	Confident	124 Å²	124	70.9 Å²	70.9	66%	0.663	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.7	-176.2	-70.4	-29.2	0	0	0	114	H805 R806	H805-N808 PolarHBondContact O-N 2.65Å; R806-N808 PolarHBondContact O-N 2.79Å
809	R	71.2	Confident	77.8	Confident	140 Å²	140	68.3 Å²	68.3	53%	0.528	35%	0.35	S	S	.	.	S	Bend	trans	-102.6	-17.3	175.2	-62.7	-177.1	-177.7	179.1	3	113.5	M804 D807	M804-R809 HydrophobicContact CE-CB 4.45Å; M804-R809 PolarHBondContact O-N 3.37Å; D807-R809 VanDerWaalsContact C-N 3.26Å; D807-R809 HydrophobicContact CB-CG 4.18Å; D807-R809 PolarHBondContact O-N 3.1Å
810	I	80.4	Confident	77.4	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	140.5	-171.3	-74.9	-173.8	0	0	0	108	I764 F768 L801 M804 H805 V817 W818	I764-I810 HydrophobicContact CG2-CD1 3.78Å; F768-I810 HydrophobicContact CE2-CD1 4.03Å; L801-I810 HydrophobicContact CD2-CD1 4.23Å; M804-I810 HydrophobicContact CB-CB 4.35Å; M804-I810 HydrophobicContact CB-CD1 4.15Å; M804-I810 HydrophobicContact CB-CG1 4.4Å; M804-I810 HydrophobicContact CE-CD1 3.58Å; M804-I810 HydrophobicContact CE-CG1 4.16Å; M804-I810 PolarHBondContact O-N 3.23Å; M804-I810 HydrophobicContact SD-CD1 3.98Å; H805-I810 WeakPolarHBondContact CA-O 3.46Å; H805-I810 PolarHBondContact ND1-O 3.06Å; I810-V817 HydrophobicContact CD1-CG1 4.18Å; I810-V817 HydrophobicContact CG2-CG1 3.32Å; I810-W818 CarbonylContact C-O 3.58Å; I810-W818 WeakPolarHBondContact CA-O 3.29Å
811	M	80.2	Confident	77.4	Confident	96 Å²	96	74.3 Å²	74.3	47%	0.473	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.1	163.5	-72.6	-64.6	-74.3	0	0	109.3	W818 I820	M811-W818 HydrophobicContact CB-CB 4.15Å; M811-W818 PolarHBondContact N-O 3.39Å; M811-W818 PolarHBondContact O-N 2.82Å; M811-I820 HydrophobicContact CG-CD1 3.75Å; M811-I820 HydrophobicContact CG-CG1 3.88Å; M811-I820 HydrophobicContact SD-CD1 4.23Å
812	L	77.7	Confident	77.3	Confident	43 Å²	43	78.2 Å²	78.2	23%	0.225	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.1	175.7	-172.9	143.8	0	0	0	109.7	L801 V817	L801-L812 HydrophobicContact CB-CD1 3.9Å; L801-L812 HydrophobicContact CD1-CD1 4.35Å; L812-V817 HydrophobicContact CD1-CG2 4.38Å
813	A	76.1	Confident	77.1	Confident	58 Å²	58	78.8 Å²	78.8	48%	0.479	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	86.2	-173.9	0	0	0	0	0	109.9	D815 D816	A813-D815 PolarHBondContact O-N 3.38Å; A813-D816 PolarHBondContact N-O 3.47Å; A813-D816 PolarHBondContact O-N 2.75Å; A813-D816 VanDerWaalsContact O-N 3.17Å
814	G	75.7	Confident	77	Confident	60 Å²	60	81 Å²	81	62%	0.619	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-118	-174.6	0	0	0	0	0	111.6
815	D	75.3	Confident	77.1	Confident	117 Å²	117	85.8 Å²	85.8	63%	0.626	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.4	174.9	-76.6	-41.5	0	0	0	113.5	T777 V778 A813	T777-D815 CarbonylContact C-O 3.58Å; T777-D815 WeakPolarHBondContact CA-O 3.28Å; V778-D815 WeakPolarHBondContact CG2-O 3.47Å; V778-D815 PolarHBondContact N-O 3.36Å; A813-D815 PolarHBondContact O-N 3.38Å
816	D	77.7	Confident	76.8	Confident	44 Å²	44	86.9 Å²	86.9	24%	0.235	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.5	178.8	-79.4	-7.2	0	0	0	112.7	Q775 A813	Q775-D816 PolarHBondContact NE2-OD2 2.83Å; A813-D816 PolarHBondContact N-O 3.47Å; A813-D816 PolarHBondContact O-N 2.75Å; A813-D816 VanDerWaalsContact O-N 3.17Å
817	V	79	Confident	76.4	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.8	-179.3	-172.8	0	0	0	0	109	F768 Q775 L776 V778 I781 L801 I810 L812	F768-V817 HydrophobicContact CE2-CG1 4.5Å; F768-V817 HydrophobicContact CZ-CG1 4.07Å; Q775-V817 CarbonylContact C-O 3.6Å; L776-V817 PolarHBondContact N-O 3.25Å; L776-V817 WeakPolarHBondContact O-CA 3.28Å; L776-V817 VanDerWaalsContact O-CB 3.29Å; L776-V817 WeakPolarHBondContact O-CB 3.49Å; L776-V817 PolarHBondContact O-N 3.05Å; V778-V817 HydrophobicContact CG2-CG2 3.59Å; I781-V817 HydrophobicContact CD1-CB 3.74Å; I781-V817 HydrophobicContact CD1-CG1 3.98Å; I781-V817 HydrophobicContact CD1-CG2 3.64Å; L801-V817 HydrophobicContact CD1-CG2 4.13Å; L801-V817 HydrophobicContact CD2-CG1 3.83Å; L801-V817 HydrophobicContact CD2-CG2 4.24Å; I810-V817 HydrophobicContact CD1-CG1 4.18Å; I810-V817 HydrophobicContact CG2-CG1 3.32Å; L812-V817 HydrophobicContact CD1-CG2 4.38Å
818	W	77.1	Confident	76.2	Confident	103 Å²	103	78.2 Å²	78.2	39%	0.39	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.5	-175.7	-61.5	77.5	0	0	0	110.4	E774 Q775 I810 M811	E774-W818 WeakPolarHBondContact O-CA 3.48Å; Q775-W818 HydrophobicContact CB-CD2 4.28Å; Q775-W818 HydrophobicContact CB-CE3 4.08Å; Q775-W818 HydrophobicContact CB-CH2 4.17Å; Q775-W818 HydrophobicContact CB-CZ2 4.36Å; Q775-W818 HydrophobicContact CB-CZ3 4.03Å; Q775-W818 VanDerWaalsContact CD-CZ2 3.48Å; Q775-W818 HydrophobicContact CG-CD2 4.23Å; Q775-W818 HydrophobicContact CG-CE3 4.43Å; Q775-W818 HydrophobicContact CG-CH2 3.99Å; Q775-W818 HydrophobicContact CG-CZ2 3.76Å; Q775-W818 HydrophobicContact CG-CZ3 4.33Å; I810-W818 CarbonylContact C-O 3.58Å; I810-W818 WeakPolarHBondContact CA-O 3.29Å; M811-W818 HydrophobicContact CB-CB 4.15Å; M811-W818 PolarHBondContact N-O 3.39Å; M811-W818 PolarHBondContact O-N 2.82Å
819	L	74.6	Confident	76.1	Confident	87 Å²	87	74.4 Å²	74.4	46%	0.455	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	148.8	171.2	-161.7	68.1	0	0	0	110.7	F768 E774	F768-L819 HydrophobicContact CB-CD2 4.44Å; F768-L819 HydrophobicContact CD1-CB 4.24Å; F768-L819 HydrophobicContact CD1-CD1 4.43Å; F768-L819 HydrophobicContact CD1-CD2 4.47Å; F768-L819 HydrophobicContact CD2-CD1 4.26Å; F768-L819 HydrophobicContact CE1-CB 4.23Å; F768-L819 HydrophobicContact CG-CD1 4.18Å; E774-L819 PolarHBondContact O-N 3.2Å
820	I	67.9	Low	76.5	Confident	144 Å²	144	68.5 Å²	68.5	74%	0.738	39%	0.386	S	S	*	.			trans	-108.6	0	172.4	-46	178.6	0	0	0	109.1	M811	M811-I820 HydrophobicContact CG-CD1 3.75Å; M811-I820 HydrophobicContact CG-CG1 3.88Å; M811-I820 HydrophobicContact SD-CD1 4.23Å

Retrieved 820 of 820 residues in 653.5 ms (Link to these results)

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