A0A077ZF61_TRITR Loading...

Protein GLO 4

AlphaFold DB , UniProt , Accession A0A077ZF61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,337 aa.

						>A0A077ZF61_TRITR|A0A077ZF61
MKRLMNEGSTYELRKLWMTDSGASIKYVAHYTADSIILAAMTTLNKVVIVALLRGTSSFNETHIGEYEWYSMPEKEIVSIAFSPTGHWLFLQSIDEDIHILHVSMLVPTNVLWNLPFAQEALHFSREEISALQGRKSTDFLDVPTSLLCFLTSPNNCLTLAYGNKRGDVYLVNPESSVRCMICSIKESVRRLEYARDPLSHSYLLVTGSLGAQWTISLQSSSIQFESDCFRLQECVPLPVTGAFIVDSNGASTWVHMETEALSVTLYHTNAFRNPYFRIPLPPSTDIVKYTDLITFACNVADSRLEYVINCCIPSVFLDPASAAFNCTLVPTQLPDQWGPVVECISERDDTHRALPACVVVFRKGIFIAEPVQSPTDVCRQLLRLYRHFSFAEAWCNATQLDFCSLGEEMANKFMLEQEWEGALKMCQRLKMSNAEIIKMFAEFGALHRLWGHVKVWLWLQRERESEFNSVYNAAFEAFLNSSMRNTSTEEASLLLADFNELLSSYPCPNVVECAAKIARLGYWTLLLNFAKAQRLRPRNLLQLIVDNDVTTDKGKQNDHYYSLLVYVCDKVTRSPQSCEDVLSKFFKSVASLASSLSPYWLECLWKRMNLDVYSFPDDQLSGNDKNAYEGKFEVAFSYRMLYLNLLCQLDNAISESCHQARIGEQYLERRVDCWCDTPLNGLAAGLNSSCVLTSELNIRTYGEVVYNGCSLVVNPASKILIRQVACGFRHAIFLDYAGMVHAVGDNHFGQVGVENESWIAEAKLVLPRQGLIEFPVKKVTCGAYHSAAILANGTVVTWGWNVHGQLGHGNAVDKYIPTMVEHFVEQTIRLSDVQCGYAHTLFLSDEGILFVCGSNARAQLGLSSQVRKVSRPTCLTLGKVVRIKCIACSLSTNLALSDGHPAELWSWGKSSSSWQRFLNMLKRRGAEENISKRNNRERALRQEHVPVPVNTTELCEEITSVHCGFAHFAVVTTSGSVYTWGDNDSYQLGIKGLKRRKHPSENTKIVLKEAVSSVALGSNHSLMIDRRGTLWGFGKRQSMIGHKLDDQKDACLSKPTLLEAGYKFVVPDRRPIVLSAWRSFVSVTRCLLRGCRNRLTCMRNLYIGSFCSPMRLSLLLLLSGAVKQSFQVLKERVLRADCNVDQLTDVLSTYELYFNCCKSDSALRSAYVESLVSFTEACVHVPCVKTFFCHHRGLTPKMFRSIATISNSPAVLFDLLIGESILLESSPQVAYSAVELPSTTETEDLHPIYYYSCGHSQGTEEACNLAFDCEQKANIGQASLPSGFVKDILLPEFLANYRNTKMCFTCWVKITSEAIVNDLFYVWSHLRCYIAKGTVR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	45.6	Very low	80 Å²	80	87.4 Å²	87.4	39%	0.394	44%	0.438	S	S	.	.				0	-71.6	0	-107.8	52.4	177.8	0	0	114.9	R3 L4 M5 I25 M41	M1-R3 PolarHBondContact O-N 2.94Å; M1-L4 WeakPolarHBondContact O-CA 3.45Å; M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 HydrophobicContact SD-CD1 3.93Å; M1-M5 PolarHBondContact O-N 3.19Å; M1-I25 HydrophobicContact CE-CD1 3.83Å; M1-M41 HydrophobicContact CE-CE 3.48Å; M1-M41 VanDerWaalsContact CE-CE 3.48Å; M1-M41 HydrophobicContact CE-SD 3.87Å
2	K	47.1	Very low	45.5	Very low	120 Å²	120	87.7 Å²	87.7	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-54.2	-38.7	178.9	-90.4	-178.1	177.3	-178	0	113.8	M5 N6 R387	K2-M5 HydrophobicContact CB-CE 4.27Å; K2-M5 HydrophobicContact CG-CE 3.6Å; K2-M5 PolarHBondContact O-N 3.11Å; K2-N6 PolarHBondContact O-N 3.18Å; K2-N6 VanDerWaalsContact O-N 3.15Å; K2-N6 PolarHBondContact O-OD1 2.89Å; K2-R387 VanDerWaalsContact CD-NH2 3.26Å; K2-R387 VanDerWaalsContact NZ-NH2 3.13Å
3	R	47.1	Very low	45.7	Very low	105 Å²	105	82.4 Å²	82.4	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-43.1	174	-158	174.8	-175.8	169.4	1.5	113.1	M1 M5 N6 E7 N60	M1-R3 PolarHBondContact O-N 2.94Å; R3-M5 VanDerWaalsContact C-N 3.31Å; R3-M5 PolarHBondContact O-N 3.05Å; R3-N6 PolarHBondContact O-N 2.74Å; R3-N6 VanDerWaalsContact O-N 3.15Å; R3-E7 HydrophobicContact CG-CG 4.31Å; R3-E7 WeakPolarHBondContact CG-OE1 3.49Å; R3-E7 IonicContact CZ-OE1 3.56Å; R3-E7 IonicContact NE-OE1 3.01Å; R3-E7 PolarHBondContact NE-OE1 3.34Å; R3-E7 VanDerWaalsContact NE-OE1 3.08Å; R3-E7 IonicContact NE-OE2 2.6Å; R3-E7 WeakPolarHBondContact O-CB 3.44Å; R3-E7 PolarHBondContact O-N 2.91Å; R3-N60 PolarHBondContact NH2-ND2 3.43Å; R3-N60 PolarHBondContact NH2-OD1 3.31Å
4	L	47.2	Very low	46.1	Very low	8 Å²	8	89.4 Å²	89.4	4%	0.042	43%	0.43	C	S	.	.	H	α-helix	trans	-59.1	-39.1	172.7	-78.6	158.8	0	0	0	112.4	M1 N6 G8 L13 A51 L53 T62 I64	M1-L4 WeakPolarHBondContact O-CA 3.45Å; M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L4 HydrophobicContact SD-CD1 3.93Å; L4-N6 VanDerWaalsContact C-N 3.31Å; L4-N6 PolarHBondContact O-N 3.42Å; L4-G8 WeakPolarHBondContact O-CA 3.35Å; L4-G8 PolarHBondContact O-N 2.81Å; L4-L13 HydrophobicContact CD2-CD1 4.41Å; L4-A51 HydrophobicContact CD1-CB 4.13Å; L4-A51 HydrophobicContact CD2-CB 3.97Å; L4-L53 HydrophobicContact CD1-CD1 4.11Å; L4-L53 HydrophobicContact CD2-CD1 4.49Å; L4-L53 HydrophobicContact CD2-CD2 3.77Å; L4-L53 HydrophobicContact CD2-CG 4.28Å; L4-L53 HydrophobicContact CG-CD1 3.95Å; L4-L53 HydrophobicContact CG-CD2 3.89Å; L4-L53 HydrophobicContact CG-CG 4.26Å; L4-T62 HydrophobicContact CD2-CG2 3.73Å; L4-I64 HydrophobicContact CD2-CD1 4.5Å
5	M	48.6	Very low	46.3	Very low	104 Å²	104	88.8 Å²	88.8	51%	0.512	43%	0.425	S	S	.	.	H	α-helix	trans	-67.5	-32.4	177.6	-62.1	-168.1	-58.4	0	0	112.6	M1 K2 R3	M1-M5 PolarHBondContact O-N 3.19Å; K2-M5 HydrophobicContact CB-CE 4.27Å; K2-M5 HydrophobicContact CG-CE 3.6Å; K2-M5 PolarHBondContact O-N 3.11Å; R3-M5 VanDerWaalsContact C-N 3.31Å; R3-M5 PolarHBondContact O-N 3.05Å
6	N	50.6	Low	46.3	Very low	120 Å²	120	84.6 Å²	84.6	64%	0.642	41%	0.405	S	S	*	.	H	α-helix	trans	-87.8	-37.5	-176.3	-69.9	8.6	0	0	0	112.5	K2 R3 L4	K2-N6 PolarHBondContact O-N 3.18Å; K2-N6 VanDerWaalsContact O-N 3.15Å; K2-N6 PolarHBondContact O-OD1 2.89Å; R3-N6 PolarHBondContact O-N 2.74Å; R3-N6 VanDerWaalsContact O-N 3.15Å; L4-N6 VanDerWaalsContact C-N 3.31Å; L4-N6 PolarHBondContact O-N 3.42Å
7	E	47.5	Very low	46.6	Very low	66 Å²	66	87.7 Å²	87.7	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-91	-20.7	-177.6	-66.8	179.4	-175.8	0	0	113	R3 S9 N60	R3-E7 HydrophobicContact CG-CG 4.31Å; R3-E7 WeakPolarHBondContact CG-OE1 3.49Å; R3-E7 IonicContact CZ-OE1 3.56Å; R3-E7 IonicContact NE-OE1 3.01Å; R3-E7 PolarHBondContact NE-OE1 3.34Å; R3-E7 VanDerWaalsContact NE-OE1 3.08Å; R3-E7 IonicContact NE-OE2 2.6Å; R3-E7 WeakPolarHBondContact O-CB 3.44Å; R3-E7 PolarHBondContact O-N 2.91Å; E7-S9 PolarHBondContact O-N 3.41Å; E7-N60 PolarHBondContact OE1-ND2 2.89Å
8	G	39.8	Very low	46.5	Very low	14 Å²	14	88.7 Å²	88.7	14%	0.144	42%	0.418	C	S	.	.			trans	-71.5	83.1	-178.9	0	0	0	0	0	113.4	L4 T10	L4-G8 WeakPolarHBondContact O-CA 3.35Å; L4-G8 PolarHBondContact O-N 2.81Å; G8-T10 PolarHBondContact O-N 3.46Å
9	S	41.3	Very low	46.1	Very low	114 Å²	114	91.3 Å²	91.3	80%	0.797	44%	0.441	S	S	*	.			trans	-68.7	-7.1	165.3	53.3	0	0	0	0	113.3	E7 Y11	E7-S9 PolarHBondContact O-N 3.41Å; S9-Y11 PolarHBondContact O-N 2.72Å
10	T	41.9	Very low	46	Very low	69 Å²	69	94.8 Å²	94.8	42%	0.423	46%	0.462	S	S	.	.			trans	-74.8	114.3	178.5	48.3	0	0	0	0	110.3	G8 E12 L13	G8-T10 PolarHBondContact O-N 3.46Å; T10-E12 PolarHBondContact O-N 3.43Å; T10-L13 PolarHBondContact O-N 3.18Å
11	Y	45.2	Very low	45.8	Very low	161 Å²	161	92.1 Å²	92.1	63%	0.631	45%	0.453	S	S	*	.	H	α-helix	trans	-43.5	-31.8	169.3	176	-104.8	0	0	0	113.3	S9 R14 K15	S9-Y11 PolarHBondContact O-N 2.72Å; Y11-R14 PolarHBondContact O-N 2.93Å; Y11-K15 PolarHBondContact O-N 3.1Å
12	E	44.8	Very low	45.6	Very low	91 Å²	91	90.7 Å²	90.7	43%	0.425	46%	0.458	S	S	.	.	H	α-helix	trans	-64.7	-39	176.7	-64	-58.2	148.9	0	0	113.9	T10 R14 K15	T10-E12 PolarHBondContact O-N 3.43Å; E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 2.77Å; E12-K15 VanDerWaalsContact CD-NZ 3.32Å; E12-K15 WeakPolarHBondContact O-CB 3.48Å; E12-K15 PolarHBondContact O-N 3.04Å; E12-K15 IonicContact OE1-NZ 3.83Å; E12-K15 PolarHBondContact OE1-NZ 3.46Å; E12-K15 WeakPolarHBondContact OE2-CD 3.36Å; E12-K15 IonicContact OE2-NZ 2.61Å; E12-K15 PolarHBondContact OE2-NZ 3.23Å
13	L	47.4	Very low	46	Very low	19 Å²	19	85.3 Å²	85.3	10%	0.099	44%	0.436	C	S	.	.	H	α-helix	trans	-64.7	-35.5	175	-94.1	173	0	0	0	111.7	L4 T10 K15 L16 W17 I64	L4-L13 HydrophobicContact CD2-CD1 4.41Å; T10-L13 PolarHBondContact O-N 3.18Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-L16 HydrophobicContact CD2-CD1 4.21Å; L13-L16 PolarHBondContact O-N 2.87Å; L13-W17 VanDerWaalsContact O-CD1 3.26Å; L13-I64 HydrophobicContact CD1-CD1 3.3Å; L13-I64 HydrophobicContact CD2-CD1 3.89Å; L13-I64 HydrophobicContact CG-CD1 3.46Å; L13-I64 VanDerWaalsContact CG-CD1 3.46Å
14	R	52.1	Low	46.8	Very low	181 Å²	181	83.3 Å²	83.3	68%	0.683	44%	0.438	S	S	*	.	H	α-helix	trans	-68.1	-33.3	178.4	-70.7	-172.7	-176.8	-174.5	1.5	112.1	Y11 E12 L16 W17 M18	Y11-R14 PolarHBondContact O-N 2.93Å; E12-R14 VanDerWaalsContact C-N 3.3Å; E12-R14 PolarHBondContact O-N 2.77Å; R14-L16 VanDerWaalsContact C-N 3.28Å; R14-L16 PolarHBondContact O-N 2.62Å; R14-W17 PolarHBondContact O-N 3.43Å; R14-W17 VanDerWaalsContact O-N 3.13Å; R14-M18 WeakPolarHBondContact O-CG 3.37Å; R14-M18 PolarHBondContact O-N 3Å
15	K	49.1	Very low	47.9	Very low	80 Å²	80	85.4 Å²	85.4	35%	0.348	45%	0.449	S	S	.	.	H	α-helix	trans	-58.4	-38.9	174	-82.5	-179.6	-173.3	156.3	0	112.1	Y11 E12 L13 W17 M18 S21	Y11-K15 PolarHBondContact O-N 3.1Å; E12-K15 VanDerWaalsContact CD-NZ 3.32Å; E12-K15 WeakPolarHBondContact O-CB 3.48Å; E12-K15 PolarHBondContact O-N 3.04Å; E12-K15 IonicContact OE1-NZ 3.83Å; E12-K15 PolarHBondContact OE1-NZ 3.46Å; E12-K15 WeakPolarHBondContact OE2-CD 3.36Å; E12-K15 IonicContact OE2-NZ 2.61Å; E12-K15 PolarHBondContact OE2-NZ 3.23Å; L13-K15 VanDerWaalsContact C-N 3.34Å; K15-W17 PolarHBondContact O-N 2.87Å; K15-M18 PolarHBondContact O-N 3.23Å; K15-S21 PolarHBondContact O-OG 3.1Å
16	L	46	Very low	49.3	Very low	22 Å²	22	83.8 Å²	83.8	12%	0.115	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.9	179.9	-67.3	162.4	0	0	0	113.1	L13 R14 A23 T43 I49	L13-L16 HydrophobicContact CD2-CD1 4.21Å; L13-L16 PolarHBondContact O-N 2.87Å; R14-L16 VanDerWaalsContact C-N 3.28Å; R14-L16 PolarHBondContact O-N 2.62Å; L16-A23 HydrophobicContact CD2-CB 4.13Å; L16-T43 HydrophobicContact CD2-CG2 3.9Å; L16-I49 HydrophobicContact CD1-CD1 3.47Å; L16-I49 VanDerWaalsContact CD1-CD1 3.47Å; L16-I49 HydrophobicContact CD2-CD1 3.44Å; L16-I49 VanDerWaalsContact CD2-CD1 3.44Å; L16-I49 HydrophobicContact CG-CD1 4.1Å
17	W	51.2	Low	50.9	Low	137 Å²	137	81.4 Å²	81.4	52%	0.519	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-7.3	-173.1	-64.7	73.7	0	0	0	114.2	L13 R14 K15 T19 I25	L13-W17 VanDerWaalsContact O-CD1 3.26Å; R14-W17 PolarHBondContact O-N 3.43Å; R14-W17 VanDerWaalsContact O-N 3.13Å; K15-W17 PolarHBondContact O-N 2.87Å; W17-T19 PolarHBondContact O-N 3.46Å; W17-I25 HydrophobicContact CH2-CD1 4.18Å; W17-I25 HydrophobicContact CZ2-CD1 3.59Å
18	M	44.8	Very low	52.6	Low	106 Å²	106	82.1 Å²	82.1	52%	0.522	43%	0.43	S	S	.	.			trans	-68	121.5	172.7	-68	-149	-63.2	0	0	108.5	R14 K15 D20 S21	R14-M18 WeakPolarHBondContact O-CG 3.37Å; R14-M18 PolarHBondContact O-N 3Å; K15-M18 PolarHBondContact O-N 3.23Å; M18-D20 PolarHBondContact O-N 3.4Å; M18-S21 CarbonylContact O-C 3.52Å; M18-S21 PolarHBondContact O-N 2.94Å; M18-S21 PolarHBondContact O-OG 2.99Å
19	T	39	Very low	54.7	Low	138 Å²	138	81.9 Å²	81.9	85%	0.847	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.4	-179.4	46.5	0	0	0	0	113.7	W17	W17-T19 PolarHBondContact O-N 3.46Å
20	D	43.3	Very low	56.6	Low	161 Å²	161	82.8 Å²	82.8	86%	0.861	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.9	-179.9	-68.9	-13.2	0	0	0	113.6	M18	M18-D20 PolarHBondContact O-N 3.4Å
21	S	42.3	Very low	58.4	Low	39 Å²	39	80.9 Å²	80.9	27%	0.273	40%	0.403	S	S	.	.	S	Bend	trans	-97.9	111.1	166.4	41.4	0	0	0	0	107	K15 M18 A23	K15-S21 PolarHBondContact O-OG 3.1Å; M18-S21 CarbonylContact O-C 3.52Å; M18-S21 PolarHBondContact O-N 2.94Å; M18-S21 PolarHBondContact O-OG 2.99Å; S21-A23 PolarHBondContact O-N 3.47Å
22	G	42.4	Very low	59.6	Low	50 Å²	50	77.3 Å²	77.3	52%	0.515	40%	0.399	S	S	.	.			trans	-61.1	32.8	-173.5	0	0	0	0	0	117.9	S24 N45	G22-S24 PolarHBondContact O-N 3.39Å; G22-N45 PolarHBondContact O-OD1 3.34Å
23	A	53.7	Low	60.7	Low	6 Å²	6	74 Å²	74	5%	0.05	39%	0.387	C	S	.	.			trans	-90.8	48.1	-174.7	0	0	0	0	0	113.7	L16 S21 I25	L16-A23 HydrophobicContact CD2-CB 4.13Å; S21-A23 PolarHBondContact O-N 3.47Å; A23-I25 PolarHBondContact O-N 3.34Å
24	S	65.4	Low	61.6	Low	63 Å²	63	81.3 Å²	81.3	44%	0.441	43%	0.426	S	S	.	.			trans	-68.6	137.4	176.1	66.1	0	0	0	0	111.9	G22 T43 L44	G22-S24 PolarHBondContact O-N 3.39Å; S24-T43 CarbonylContact O-C 3.49Å; S24-T43 WeakPolarHBondContact O-CA 3.38Å; S24-L44 PolarHBondContact O-N 3.44Å; S24-L44 WeakPolarHBondContact OG-CD1 3.26Å; S24-L44 WeakPolarHBondContact OG-CG 3.48Å
25	I	70.6	Confident	62.4	Low	52 Å²	52	74.6 Å²	74.6	27%	0.267	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131	175.7	-61.2	169.3	0	0	0	109.8	M1 W17 A23 V28 M41 T42	M1-I25 HydrophobicContact CE-CD1 3.83Å; W17-I25 HydrophobicContact CH2-CD1 4.18Å; W17-I25 HydrophobicContact CZ2-CD1 3.59Å; A23-I25 PolarHBondContact O-N 3.34Å; I25-V28 HydrophobicContact CG2-CG2 3.68Å; I25-M41 HydrophobicContact CD1-SD 3.77Å; I25-M41 HydrophobicContact CG1-SD 4.11Å; I25-M41 HydrophobicContact CG2-CB 4.13Å; I25-T42 CarbonylContact C-O 3.51Å
26	K	77.8	Confident	63.5	Low	70 Å²	70	71 Å²	71	30%	0.304	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-49.7	-177.1	-160.8	-176.3	176.1	-165.8	0	112.9	T42 L44 E76	K26-T42 PolarHBondContact N-O 2.65Å; K26-L44 HydrophobicContact CD-CD2 4.19Å; K26-L44 HydrophobicContact CG-CD2 4.49Å; K26-E76 IonicContact NZ-OE1 2.64Å; K26-E76 PolarHBondContact NZ-OE1 3.28Å; K26-E76 IonicContact NZ-OE2 2.74Å
27	Y	83.8	Confident	65	Low	71 Å²	71	73.1 Å²	73.1	28%	0.278	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.1	178.6	-56.8	-75.8	0	0	0	111.8	M41 T42 I77 V78	Y27-M41 VanDerWaalsContact O-CA 3.26Å; Y27-M41 WeakPolarHBondContact O-CA 3.46Å; Y27-T42 PolarHBondContact N-OG1 2.89Å; Y27-T42 PolarHBondContact O-N 3.19Å; Y27-I77 WeakPolarHBondContact CE2-O 3.4Å; Y27-V78 WeakPolarHBondContact CD1-O 3.36Å; Y27-V78 WeakPolarHBondContact CE1-O 3.33Å; Y27-V78 VanDerWaalsContact CE2-CA 3.44Å; Y27-V78 WeakPolarHBondContact CE2-O 3.35Å; Y27-V78 PolarHBondContact OH-O 3.21Å
28	V	83.3	Confident	66.4	Low	80 Å²	80	66.6 Å²	66.6	49%	0.485	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	132.8	-178.9	-176.8	0	0	0	0	110.5	I25 A40 M41	I25-V28 HydrophobicContact CG2-CG2 3.68Å; V28-A40 WeakPolarHBondContact CA-O 3.26Å; V28-M41 HydrophobicContact CG2-CB 4.34Å
29	A	84.1	Confident	68.3	Low	9 Å²	9	62 Å²	62	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.5	166	0	0	0	0	0	108.9	A39 A40 I80 F82	A29-A39 CarbonylContact O-C 3.49Å; A29-A39 WeakPolarHBondContact O-CA 3.45Å; A29-A40 HydrophobicContact CB-CB 4.49Å; A29-A40 PolarHBondContact N-O 2.81Å; A29-A40 PolarHBondContact O-N 2.78Å; A29-I80 HydrophobicContact CB-CB 4.32Å; A29-I80 HydrophobicContact CB-CD1 3.84Å; A29-I80 HydrophobicContact CB-CG1 3.71Å; A29-I80 VanDerWaalsContact N-CD1 3.26Å; A29-F82 HydrophobicContact CB-CD2 3.97Å; A29-F82 HydrophobicContact CB-CE2 4.14Å
30	H	81.2	Confident	70.6	Confident	134 Å²	134	55.4 Å²	55.4	62%	0.62	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.2	175.1	67.3	-70.6	0	0	0	110.7	L38	H30-L38 CarbonylContact C-O 3.52Å; H30-L38 WeakPolarHBondContact CA-O 3.5Å
31	Y	79	Confident	72.6	Confident	28 Å²	28	47.9 Å²	47.9	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.1	171.6	172	-93.3	0	0	0	108.3	A33 I37 L38 P84 T85 L115 P116	Y31-A33 HydrophobicContact CE1-CB 3.57Å; Y31-A33 WeakPolarHBondContact OH-CB 3.23Å; Y31-I37 CarbonylContact O-C 3.03Å; Y31-I37 WeakPolarHBondContact O-CA 2.94Å; Y31-L38 HydrophobicContact CD1-CD1 4.14Å; Y31-L38 PolarHBondContact N-O 3.32Å; Y31-L38 PolarHBondContact O-N 3.47Å; Y31-P84 WeakPolarHBondContact CE2-O 3.3Å; Y31-T85 VanDerWaalsContact CZ-C 3.45Å; Y31-T85 PolarHBondContact OH-O 3.42Å; Y31-L115 HydrophobicContact CD1-CD2 3.89Å; Y31-L115 HydrophobicContact CE1-CD2 3.35Å; Y31-P116 WeakPolarHBondContact OH-CD 3.36Å; Y31-P116 WeakPolarHBondContact OH-CG 3.47Å
32	T	70.9	Confident	74.7	Confident	87 Å²	87	46.4 Å²	46.4	53%	0.534	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.6	-177.9	53.2	0	0	0	0	109.8	I36 I37	T32-I36 WeakPolarHBondContact CA-O 3.11Å; T32-I37 HydrophobicContact CG2-CG1 4.19Å; T32-I37 HydrophobicContact CG2-CG2 4.13Å
33	A	67.5	Low	76.5	Confident	22 Å²	22	44.3 Å²	44.3	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.3	171.6	0	0	0	0	0	109.3	Y31 S35 I36	Y31-A33 HydrophobicContact CE1-CB 3.57Å; Y31-A33 WeakPolarHBondContact OH-CB 3.23Å; A33-S35 PolarHBondContact O-N 2.87Å; A33-I36 PolarHBondContact N-O 3.37Å; A33-I36 VanDerWaalsContact N-O 3.09Å; A33-I36 PolarHBondContact O-N 3.4Å
34	D	65.4	Low	77.1	Confident	172 Å²	172	48.2 Å²	48.2	92%	0.92	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	-87.2	-180	-61.6	-25.6	0	0	0	114.8
35	S	68.8	Low	77	Confident	39 Å²	39	49.5 Å²	49.5	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	6.1	-173.7	46	0	0	0	0	113.8	A33 G55	A33-S35 PolarHBondContact O-N 2.87Å; S35-G55 WeakPolarHBondContact CB-O 3.45Å; S35-G55 PolarHBondContact O-N 3.27Å
36	I	72.4	Confident	77	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.4	-178.5	-64.5	178.3	0	0	0	110	T32 A33 L38 L52 R54 N114	T32-I36 WeakPolarHBondContact CA-O 3.11Å; A33-I36 PolarHBondContact N-O 3.37Å; A33-I36 VanDerWaalsContact N-O 3.09Å; A33-I36 PolarHBondContact O-N 3.4Å; I36-L38 HydrophobicContact CG2-CG 4.26Å; I36-L52 HydrophobicContact CG2-CD1 4.16Å; I36-L52 HydrophobicContact CG2-CG 4.19Å; I36-R54 HydrophobicContact CG1-CG 4.31Å; I36-N114 HydrophobicContact CD1-CB 3.46Å; I36-N114 VanDerWaalsContact CD1-CB 3.46Å; I36-N114 HydrophobicContact CG1-CB 4.47Å
37	I	77.8	Confident	77.1	Confident	66 Å²	66	47.6 Å²	47.6	34%	0.338	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.1	166.3	-51	176.8	0	0	0	107.5	Y31 T32 L53	Y31-I37 CarbonylContact O-C 3.03Å; Y31-I37 WeakPolarHBondContact O-CA 2.94Å; T32-I37 HydrophobicContact CG2-CG1 4.19Å; T32-I37 HydrophobicContact CG2-CG2 4.13Å; I37-L53 HydrophobicContact CB-CB 4.19Å; I37-L53 PolarHBondContact N-O 2.94Å; I37-L53 PolarHBondContact O-N 3.18Å
38	L	82	Confident	77.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.8	165.9	-77.7	168.8	0	0	0	108.7	H30 Y31 I36 V50 L52 F82 G86 V103 L112 L115	H30-L38 CarbonylContact C-O 3.52Å; H30-L38 WeakPolarHBondContact CA-O 3.5Å; Y31-L38 HydrophobicContact CD1-CD1 4.14Å; Y31-L38 PolarHBondContact N-O 3.32Å; Y31-L38 PolarHBondContact O-N 3.47Å; I36-L38 HydrophobicContact CG2-CG 4.26Å; L38-V50 HydrophobicContact CD2-CG1 4.19Å; L38-L52 HydrophobicContact CD2-CB 3.75Å; L38-L52 HydrophobicContact CD2-CD1 3.88Å; L38-L52 HydrophobicContact CD2-CG 4.05Å; L38-F82 HydrophobicContact CB-CE1 4.36Å; L38-F82 HydrophobicContact CB-CE2 4.33Å; L38-F82 HydrophobicContact CB-CZ 3.93Å; L38-F82 HydrophobicContact CD1-CE1 4.46Å; L38-G86 WeakPolarHBondContact CD1-O 3.34Å; L38-V103 HydrophobicContact CD1-CG1 4.31Å; L38-V103 HydrophobicContact CD2-CG1 4.04Å; L38-L112 HydrophobicContact CD2-CD2 4.49Å; L38-L115 HydrophobicContact CD1-CD1 4.16Å; L38-L115 HydrophobicContact CD1-CD2 4.06Å
39	A	84.3	Confident	77.1	Confident	9 Å²	9	40.5 Å²	40.5	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.3	174.9	0	0	0	0	0	109.4	A29 V50 A51	A29-A39 CarbonylContact O-C 3.49Å; A29-A39 WeakPolarHBondContact O-CA 3.45Å; A39-V50 WeakPolarHBondContact O-CA 3.49Å; A39-A51 PolarHBondContact N-O 2.88Å; A39-A51 PolarHBondContact O-N 3.24Å
40	A	87.4	Confident	77.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.7	171.6	0	0	0	0	0	109.5	V28 A29 I49 V50 I80 F82 L89	V28-A40 WeakPolarHBondContact CA-O 3.26Å; A29-A40 HydrophobicContact CB-CB 4.49Å; A29-A40 PolarHBondContact N-O 2.81Å; A29-A40 PolarHBondContact O-N 2.78Å; A40-I49 CarbonylContact C-O 3.32Å; A40-I49 WeakPolarHBondContact CA-O 3.42Å; A40-V50 HydrophobicContact CB-CG2 3.92Å; A40-I80 HydrophobicContact CB-CD1 4.21Å; A40-I80 WeakPolarHBondContact O-CD1 3.47Å; A40-F82 HydrophobicContact CB-CE2 3.79Å; A40-F82 HydrophobicContact CB-CZ 3.64Å; A40-L89 HydrophobicContact CB-CD1 3.61Å; A40-L89 HydrophobicContact CB-CD2 3.94Å; A40-L89 HydrophobicContact CB-CG 4.46Å
41	M	85.5	Confident	77.1	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.6	176.9	66.2	-175.7	93.1	0	0	111.4	M1 I25 Y27 V28 I49	M1-M41 HydrophobicContact CE-CE 3.48Å; M1-M41 VanDerWaalsContact CE-CE 3.48Å; M1-M41 HydrophobicContact CE-SD 3.87Å; I25-M41 HydrophobicContact CD1-SD 3.77Å; I25-M41 HydrophobicContact CG1-SD 4.11Å; I25-M41 HydrophobicContact CG2-CB 4.13Å; Y27-M41 VanDerWaalsContact O-CA 3.26Å; Y27-M41 WeakPolarHBondContact O-CA 3.46Å; V28-M41 HydrophobicContact CG2-CB 4.34Å; M41-I49 HydrophobicContact CE-CG2 4.46Å; M41-I49 HydrophobicContact CG-CB 3.65Å; M41-I49 HydrophobicContact CG-CD1 4.43Å; M41-I49 HydrophobicContact CG-CG1 4.4Å; M41-I49 HydrophobicContact CG-CG2 4.26Å; M41-I49 PolarHBondContact N-O 3.49Å; M41-I49 PolarHBondContact O-N 3.42Å; M41-I49 HydrophobicContact SD-CB 4.41Å
42	T	85	Confident	77.1	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.3	171.8	59.6	0	0	0	0	110.3	I25 K26 Y27 V47 V48 I77 I80	I25-T42 CarbonylContact C-O 3.51Å; K26-T42 PolarHBondContact N-O 2.65Å; Y27-T42 PolarHBondContact N-OG1 2.89Å; Y27-T42 PolarHBondContact O-N 3.19Å; T42-V47 WeakPolarHBondContact CA-O 3.5Å; T42-V48 HydrophobicContact CG2-CG2 4.13Å; T42-I77 HydrophobicContact CG2-CB 4.31Å; T42-I77 HydrophobicContact CG2-CG2 4Å; T42-I80 HydrophobicContact CG2-CG2 4.01Å
43	T	80.5	Confident	77.2	Confident	7 Å²	7	28.8 Å²	28.8	4%	0.043	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	160.8	179.6	66.6	0	0	0	0	111.7	L16 S24 N45 K46 V47 I49	L16-T43 HydrophobicContact CD2-CG2 3.9Å; S24-T43 CarbonylContact O-C 3.49Å; S24-T43 WeakPolarHBondContact O-CA 3.38Å; T43-N45 PolarHBondContact O-N 3.23Å; T43-N45 PolarHBondContact OG1-N 3.12Å; T43-K46 PolarHBondContact O-N 2.86Å; T43-K46 VanDerWaalsContact O-N 3.07Å; T43-V47 PolarHBondContact N-O 2.86Å; T43-V47 PolarHBondContact OG1-N 2.78Å; T43-V47 VanDerWaalsContact OG1-N 3.16Å; T43-V47 PolarHBondContact OG1-O 2.89Å; T43-I49 HydrophobicContact CG2-CD1 3.89Å
44	L	67.3	Low	77.3	Confident	87 Å²	87	29.3 Å²	29.3	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.9	169.2	-75.4	-174.6	0	0	0	113	S24 K26 K46	S24-L44 PolarHBondContact O-N 3.44Å; S24-L44 WeakPolarHBondContact OG-CD1 3.26Å; S24-L44 WeakPolarHBondContact OG-CG 3.48Å; K26-L44 HydrophobicContact CD-CD2 4.19Å; K26-L44 HydrophobicContact CG-CD2 4.49Å; L44-K46 PolarHBondContact O-N 3.09Å; L44-K46 VanDerWaalsContact O-N 3.1Å
45	N	61.7	Low	77	Confident	91 Å²	91	22.3 Å²	22.3	49%	0.487	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	10.7	176.4	-70.6	-12.2	0	0	0	113.2	G22 T43 V47	G22-N45 PolarHBondContact O-OD1 3.34Å; T43-N45 PolarHBondContact O-N 3.23Å; T43-N45 PolarHBondContact OG1-N 3.12Å; N45-V47 VanDerWaalsContact C-N 3.34Å; N45-V47 HydrophobicContact CB-CG2 4.47Å; N45-V47 PolarHBondContact O-N 3.26Å
46	K	71.3	Confident	76	Confident	57 Å²	57	23 Å²	23	25%	0.248	13%	0.127	C	C	.	.	S	Bend	trans	58.4	45	-178.7	-47.3	-169.1	-179.8	-166.4	0	111.3	T43 L44 W69 Y70 S71 M72	T43-K46 PolarHBondContact O-N 2.86Å; T43-K46 VanDerWaalsContact O-N 3.07Å; L44-K46 PolarHBondContact O-N 3.09Å; L44-K46 VanDerWaalsContact O-N 3.1Å; K46-W69 HydrophobicContact CB-CB 4.17Å; K46-W69 VanDerWaalsContact O-CA 3.24Å; K46-W69 WeakPolarHBondContact O-CA 3.39Å; K46-W69 WeakPolarHBondContact O-CB 3.37Å; K46-W69 PolarHBondContact O-N 3.41Å; K46-Y70 WeakPolarHBondContact CD-O 3.4Å; K46-S71 VanDerWaalsContact NZ-C 3.26Å; K46-S71 PolarHBondContact NZ-O 3.47Å; K46-M72 PolarHBondContact NZ-O 3.17Å; K46-M72 VanDerWaalsContact NZ-O 3.1Å
47	V	80.4	Confident	74.8	Confident	24 Å²	24	29.3 Å²	29.3	15%	0.145	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.7	171	-176.2	0	0	0	0	108.7	T42 T43 N45 I49 E66	T42-V47 WeakPolarHBondContact CA-O 3.5Å; T43-V47 PolarHBondContact N-O 2.86Å; T43-V47 PolarHBondContact OG1-N 2.78Å; T43-V47 VanDerWaalsContact OG1-N 3.16Å; T43-V47 PolarHBondContact OG1-O 2.89Å; N45-V47 VanDerWaalsContact C-N 3.34Å; N45-V47 HydrophobicContact CB-CG2 4.47Å; N45-V47 PolarHBondContact O-N 3.26Å; V47-I49 HydrophobicContact CG1-CD1 4.43Å; V47-I49 HydrophobicContact CG1-CG1 3.87Å; V47-E66 HydrophobicContact CG1-CB 4.07Å
48	V	83.8	Confident	73.3	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.4	171	-177	0	0	0	0	108	T42 E66 Y67 W69 L89 L91 L106	T42-V48 HydrophobicContact CG2-CG2 4.13Å; V48-E66 CarbonylContact O-C 3.59Å; V48-E66 WeakPolarHBondContact O-CA 3.47Å; V48-Y67 PolarHBondContact N-O 2.79Å; V48-Y67 PolarHBondContact O-N 3.35Å; V48-W69 HydrophobicContact CG2-CB 4.36Å; V48-W69 HydrophobicContact CG2-CD2 4.2Å; V48-W69 HydrophobicContact CG2-CE3 3.72Å; V48-W69 HydrophobicContact CG2-CG 4.47Å; V48-W69 HydrophobicContact CG2-CZ3 4.44Å; V48-L89 HydrophobicContact CG1-CD2 4.2Å; V48-L91 HydrophobicContact CG1-CD1 4.18Å; V48-L91 HydrophobicContact CG1-CD2 4.34Å; V48-L91 HydrophobicContact CG2-CD1 3.76Å; V48-L106 HydrophobicContact CG1-CD1 4.36Å
49	I	83.7	Confident	71.3	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128	-176	-52	177.3	0	0	0	107.9	L16 A40 M41 T43 V47 I64 G65 E66	L16-I49 HydrophobicContact CD1-CD1 3.47Å; L16-I49 VanDerWaalsContact CD1-CD1 3.47Å; L16-I49 HydrophobicContact CD2-CD1 3.44Å; L16-I49 VanDerWaalsContact CD2-CD1 3.44Å; L16-I49 HydrophobicContact CG-CD1 4.1Å; A40-I49 CarbonylContact C-O 3.32Å; A40-I49 WeakPolarHBondContact CA-O 3.42Å; M41-I49 HydrophobicContact CE-CG2 4.46Å; M41-I49 HydrophobicContact CG-CB 3.65Å; M41-I49 HydrophobicContact CG-CD1 4.43Å; M41-I49 HydrophobicContact CG-CG1 4.4Å; M41-I49 HydrophobicContact CG-CG2 4.26Å; M41-I49 PolarHBondContact N-O 3.49Å; M41-I49 PolarHBondContact O-N 3.42Å; M41-I49 HydrophobicContact SD-CB 4.41Å; T43-I49 HydrophobicContact CG2-CD1 3.89Å; V47-I49 HydrophobicContact CG1-CD1 4.43Å; V47-I49 HydrophobicContact CG1-CG1 3.87Å; I49-I64 HydrophobicContact CG2-CG2 3.74Å; I49-G65 CarbonylContact C-O 3.55Å; I49-G65 VanDerWaalsContact CA-O 3.32Å; I49-G65 WeakPolarHBondContact CA-O 3.29Å; I49-E66 HydrophobicContact CG1-CG 4.08Å; I49-E66 HydrophobicContact CG2-CG 4.23Å
50	V	84.5	Confident	70	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.6	172.5	176.7	0	0	0	0	108.8	L38 A39 A40 I64 G65 L89 V103 L106 V107	L38-V50 HydrophobicContact CD2-CG1 4.19Å; A39-V50 WeakPolarHBondContact O-CA 3.49Å; A40-V50 HydrophobicContact CB-CG2 3.92Å; V50-I64 WeakPolarHBondContact O-CA 3.49Å; V50-G65 PolarHBondContact N-O 3.43Å; V50-G65 PolarHBondContact O-N 2.91Å; V50-L89 HydrophobicContact CG2-CD2 3.76Å; V50-V103 HydrophobicContact CG1-CG1 4.27Å; V50-L106 HydrophobicContact CB-CB 4.05Å; V50-L106 HydrophobicContact CB-CD1 3.85Å; V50-L106 HydrophobicContact CG2-CB 4.41Å; V50-L106 HydrophobicContact CG2-CD1 3.36Å; V50-V107 HydrophobicContact CB-CG2 4.32Å; V50-V107 HydrophobicContact CG1-CG2 3.79Å
51	A	79.8	Confident	68.8	Low	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	175	0	0	0	0	0	109.8	L4 A39 H63 I64	L4-A51 HydrophobicContact CD1-CB 4.13Å; L4-A51 HydrophobicContact CD2-CB 3.97Å; A39-A51 PolarHBondContact N-O 2.88Å; A39-A51 PolarHBondContact O-N 3.24Å; A51-H63 CarbonylContact C-O 3.56Å; A51-H63 VanDerWaalsContact CA-O 3.3Å; A51-H63 WeakPolarHBondContact CA-O 3.44Å; A51-I64 HydrophobicContact CB-CG1 4.28Å
52	L	80.1	Confident	68.1	Low	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.2	167.8	-179.2	149.1	0	0	0	108.9	I36 L38 R54 T62 H63 V107 V111 L112	I36-L52 HydrophobicContact CG2-CD1 4.16Å; I36-L52 HydrophobicContact CG2-CG 4.19Å; L38-L52 HydrophobicContact CD2-CB 3.75Å; L38-L52 HydrophobicContact CD2-CD1 3.88Å; L38-L52 HydrophobicContact CD2-CG 4.05Å; L52-R54 HydrophobicContact CD2-CB 4.09Å; L52-T62 WeakPolarHBondContact O-CA 3.44Å; L52-H63 HydrophobicContact CB-CB 4.41Å; L52-H63 PolarHBondContact N-O 3.17Å; L52-H63 PolarHBondContact O-N 3.37Å; L52-V107 HydrophobicContact CB-CG1 3.98Å; L52-V107 HydrophobicContact CB-CG2 4.39Å; L52-V107 HydrophobicContact CD1-CG1 4.12Å; L52-V111 HydrophobicContact CD1-CG1 3.88Å; L52-V111 HydrophobicContact CD2-CG1 3.5Å; L52-V111 HydrophobicContact CG-CG1 4.33Å; L52-L112 HydrophobicContact CD1-CD2 3.75Å
53	L	72.6	Confident	67.6	Low	12 Å²	12	49.5 Å²	49.5	6%	0.063	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.3	174.9	-66.4	160.3	0	0	0	108.3	L4 I37 T62	L4-L53 HydrophobicContact CD1-CD1 4.11Å; L4-L53 HydrophobicContact CD2-CD1 4.49Å; L4-L53 HydrophobicContact CD2-CD2 3.77Å; L4-L53 HydrophobicContact CD2-CG 4.28Å; L4-L53 HydrophobicContact CG-CD1 3.95Å; L4-L53 HydrophobicContact CG-CD2 3.89Å; L4-L53 HydrophobicContact CG-CG 4.26Å; I37-L53 HydrophobicContact CB-CB 4.19Å; I37-L53 PolarHBondContact N-O 2.94Å; I37-L53 PolarHBondContact O-N 3.18Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å
54	R	68.8	Low	67.4	Low	33 Å²	33	51.9 Å²	51.9	13%	0.125	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.8	175.9	-167.3	179.4	-170.6	-178	6.6	109.3	I36 L52 N60 E61 N114	I36-R54 HydrophobicContact CG1-CG 4.31Å; L52-R54 HydrophobicContact CD2-CB 4.09Å; R54-N60 VanDerWaalsContact O-CA 3.31Å; R54-N60 WeakPolarHBondContact O-CA 3.4Å; R54-E61 HydrophobicContact CB-CB 4.22Å; R54-E61 PolarHBondContact N-O 3.45Å; R54-E61 IonicContact NH1-OE2 3.94Å; R54-E61 PolarHBondContact O-N 2.81Å; R54-E61 VanDerWaalsContact O-N 3.15Å; R54-N114 PolarHBondContact NH2-ND2 2.9Å; R54-N114 VanDerWaalsContact NH2-ND2 3.18Å
55	G	59	Low	68.1	Low	24 Å²	24	48.1 Å²	48.1	25%	0.247	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	102.1	171.8	0	0	0	0	0	110	S35	S35-G55 WeakPolarHBondContact CB-O 3.45Å; S35-G55 PolarHBondContact O-N 3.27Å
56	T	47.4	Very low	69.1	Low	53 Å²	53	48.4 Å²	48.4	33%	0.325	27%	0.269	S	S	.	.			trans	-97.6	155.7	157.9	64.3	0	0	0	0	108.5	S58 F59	T56-S58 PolarHBondContact O-N 3.23Å; T56-F59 PolarHBondContact N-O 2.97Å; T56-F59 VanDerWaalsContact N-O 3.16Å; T56-F59 PolarHBondContact O-N 3.46Å; T56-F59 PolarHBondContact OG1-N 2.98Å; T56-F59 VanDerWaalsContact OG1-N 3.13Å; T56-F59 PolarHBondContact OG1-O 3.29Å
57	S	48.5	Very low	69.7	Low	138 Å²	138	49.3 Å²	49.3	97%	0.965	27%	0.271	S	S	*	.	S	Bend	trans	-54.7	-17.1	-178.6	48.4	0	0	0	0	114.2
58	S	46	Very low	69.7	Low	94 Å²	94	56.2 Å²	56.2	66%	0.657	30%	0.302	S	S	*	.	S	Bend	trans	-124.6	-16.1	-177.7	51.3	0	0	0	0	116	T56	T56-S58 PolarHBondContact O-N 3.23Å
59	F	40.9	Very low	69.6	Low	153 Å²	153	56.9 Å²	56.9	67%	0.671	30%	0.304	S	S	*	.			trans	-145.4	127.5	180	-84.6	-89.9	0	0	0	111.5	T56	T56-F59 PolarHBondContact N-O 2.97Å; T56-F59 VanDerWaalsContact N-O 3.16Å; T56-F59 PolarHBondContact O-N 3.46Å; T56-F59 PolarHBondContact OG1-N 2.98Å; T56-F59 VanDerWaalsContact OG1-N 3.13Å; T56-F59 PolarHBondContact OG1-O 3.29Å
60	N	56.2	Low	68.7	Low	74 Å²	74	63.6 Å²	63.6	40%	0.396	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.7	171.7	-64.4	-18	0	0	0	109.1	R3 E7 R54	R3-N60 PolarHBondContact NH2-ND2 3.43Å; R3-N60 PolarHBondContact NH2-OD1 3.31Å; E7-N60 PolarHBondContact OE1-ND2 2.89Å; R54-N60 VanDerWaalsContact O-CA 3.31Å; R54-N60 WeakPolarHBondContact O-CA 3.4Å
61	E	62.4	Low	67.5	Low	85 Å²	85	68.6 Å²	68.6	40%	0.397	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.8	173.7	-69.5	177.2	152.8	0	0	109	R54	R54-E61 HydrophobicContact CB-CB 4.22Å; R54-E61 PolarHBondContact N-O 3.45Å; R54-E61 IonicContact NH1-OE2 3.94Å; R54-E61 PolarHBondContact O-N 2.81Å; R54-E61 VanDerWaalsContact O-N 3.15Å
62	T	70.8	Confident	67.2	Low	47 Å²	47	73.4 Å²	73.4	29%	0.288	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	174.1	-57	0	0	0	0	109.5	L4 L52 L53 I64	L4-T62 HydrophobicContact CD2-CG2 3.73Å; L52-T62 WeakPolarHBondContact O-CA 3.44Å; L53-T62 HydrophobicContact CD2-CG2 3.85Å; T62-I64 HydrophobicContact CG2-CD1 4.38Å; T62-I64 HydrophobicContact CG2-CG1 4.18Å
63	H	73.1	Confident	66.9	Low	58 Å²	58	78 Å²	78	27%	0.269	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.6	173.9	-68.7	-87.9	0	0	0	110	A51 L52 V107	A51-H63 CarbonylContact C-O 3.56Å; A51-H63 VanDerWaalsContact CA-O 3.3Å; A51-H63 WeakPolarHBondContact CA-O 3.44Å; L52-H63 HydrophobicContact CB-CB 4.41Å; L52-H63 PolarHBondContact N-O 3.17Å; L52-H63 PolarHBondContact O-N 3.37Å; H63-V107 HydrophobicContact CB-CG1 3.98Å
64	I	78.3	Confident	67.1	Low	57 Å²	57	83.4 Å²	83.4	29%	0.292	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.3	-177.5	-54	174	0	0	0	108.2	L4 L13 I49 V50 A51 T62	L4-I64 HydrophobicContact CD2-CD1 4.5Å; L13-I64 HydrophobicContact CD1-CD1 3.3Å; L13-I64 HydrophobicContact CD2-CD1 3.89Å; L13-I64 HydrophobicContact CG-CD1 3.46Å; L13-I64 VanDerWaalsContact CG-CD1 3.46Å; I49-I64 HydrophobicContact CG2-CG2 3.74Å; V50-I64 WeakPolarHBondContact O-CA 3.49Å; A51-I64 HydrophobicContact CB-CG1 4.28Å; T62-I64 HydrophobicContact CG2-CD1 4.38Å; T62-I64 HydrophobicContact CG2-CG1 4.18Å
65	G	81.7	Confident	67.8	Low	8 Å²	8	83.7 Å²	83.7	8%	0.082	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	170.9	0	0	0	0	0	111.1	I49 V50 L106	I49-G65 CarbonylContact C-O 3.55Å; I49-G65 VanDerWaalsContact CA-O 3.32Å; I49-G65 WeakPolarHBondContact CA-O 3.29Å; V50-G65 PolarHBondContact N-O 3.43Å; V50-G65 PolarHBondContact O-N 2.91Å; G65-L106 WeakPolarHBondContact CA-O 3.11Å
66	E	82	Confident	69.1	Low	97 Å²	97	85.1 Å²	85.1	45%	0.453	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.2	177.4	-55.6	-171.4	169.3	0	0	110.2	V47 V48 I49 L106	V47-E66 HydrophobicContact CG1-CB 4.07Å; V48-E66 CarbonylContact O-C 3.59Å; V48-E66 WeakPolarHBondContact O-CA 3.47Å; I49-E66 HydrophobicContact CG1-CG 4.08Å; I49-E66 HydrophobicContact CG2-CG 4.23Å; E66-L106 VanDerWaalsContact C-CD2 3.44Å
67	Y	83.5	Confident	71.1	Confident	75 Å²	75	83 Å²	83	29%	0.294	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.6	173.8	-172.2	-87.5	0	0	0	109.3	V48 W69 I129	V48-Y67 PolarHBondContact N-O 2.79Å; V48-Y67 PolarHBondContact O-N 3.35Å; Y67-W69 AromaticContact CD1-CE3 3.94Å; Y67-W69 HydrophobicContact CD1-CE3 3.94Å; Y67-W69 HydrophobicContact CD1-CZ3 4.37Å; Y67-W69 HydrophobicContact CE1-CE3 4.03Å; Y67-W69 HydrophobicContact CE1-CZ3 4.28Å; Y67-W69 PolarHBondContact O-N 3.08Å; Y67-I129 HydrophobicContact CD1-CD1 4.21Å; Y67-I129 HydrophobicContact CE1-CD1 3.47Å; Y67-I129 VanDerWaalsContact CE1-CD1 3.47Å; Y67-I129 HydrophobicContact CE2-CD1 3.96Å; Y67-I129 WeakPolarHBondContact OH-CD1 3.44Å
68	E	80.9	Confident	73.1	Confident	169 Å²	169	76.9 Å²	76.9	79%	0.79	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.5	174.2	-67.8	-171.7	168.9	0	0	110.4
69	W	80.7	Confident	75.2	Confident	17 Å²	17	73 Å²	73	6%	0.064	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-94.3	156.7	-177.7	-159.9	-100.1	0	0	0	112.2	K46 V48 Y67 K75 I77 L91 H99 L101 I129	K46-W69 HydrophobicContact CB-CB 4.17Å; K46-W69 VanDerWaalsContact O-CA 3.24Å; K46-W69 WeakPolarHBondContact O-CA 3.39Å; K46-W69 WeakPolarHBondContact O-CB 3.37Å; K46-W69 PolarHBondContact O-N 3.41Å; V48-W69 HydrophobicContact CG2-CB 4.36Å; V48-W69 HydrophobicContact CG2-CD2 4.2Å; V48-W69 HydrophobicContact CG2-CE3 3.72Å; V48-W69 HydrophobicContact CG2-CG 4.47Å; V48-W69 HydrophobicContact CG2-CZ3 4.44Å; Y67-W69 AromaticContact CD1-CE3 3.94Å; Y67-W69 HydrophobicContact CD1-CE3 3.94Å; Y67-W69 HydrophobicContact CD1-CZ3 4.37Å; Y67-W69 HydrophobicContact CE1-CE3 4.03Å; Y67-W69 HydrophobicContact CE1-CZ3 4.28Å; Y67-W69 PolarHBondContact O-N 3.08Å; W69-K75 PolarHBondContact NE1-O 3.33Å; W69-I77 HydrophobicContact CD2-CD1 4.32Å; W69-I77 HydrophobicContact CD2-CG1 4.23Å; W69-I77 VanDerWaalsContact CE2-CD1 3.48Å; W69-I77 HydrophobicContact CG-CG1 4.37Å; W69-I77 HydrophobicContact CH2-CD1 4.41Å; W69-I77 HydrophobicContact CZ2-CD1 3.56Å; W69-I77 HydrophobicContact CZ2-CG1 4.36Å; W69-L91 HydrophobicContact CE3-CD1 4.03Å; W69-L91 HydrophobicContact CH2-CD1 3.74Å; W69-L91 HydrophobicContact CZ2-CD1 4.42Å; W69-L91 HydrophobicContact CZ3-CD1 3.5Å; W69-L91 VanDerWaalsContact CZ3-CD1 3.5Å; W69-H99 HydrophobicContact CH2-CB 3.61Å; W69-H99 AromaticContact CH2-CD2 3.98Å; W69-H99 AromaticContact CH2-CG 3.59Å; W69-H99 AromaticContact CH2-ND1 3.99Å; W69-H99 HydrophobicContact CZ2-CB 4.05Å; W69-H99 AromaticContact CZ2-CD2 3.47Å; W69-H99 VanDerWaalsContact CZ2-CD2 3.47Å; W69-H99 WeakPolarHBondContact CZ2-CD2 3.27Å; W69-H99 AromaticContact CZ2-CG 3.56Å; W69-H99 AromaticContact CZ2-ND1 3.95Å; W69-H99 AromaticContact CZ2-NE2 3.78Å; W69-L101 HydrophobicContact CH2-CD1 4.31Å; W69-L101 HydrophobicContact CZ3-CD1 4.16Å; W69-L101 HydrophobicContact CZ3-CD2 4.41Å; W69-I129 HydrophobicContact CH2-CG2 4.38Å; W69-I129 HydrophobicContact CZ3-CD1 3.94Å
70	Y	65	Low	77.6	Confident	141 Å²	141	66.4 Å²	66.4	55%	0.553	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-57	143.5	-171.5	-72	-78.7	0	0	0	114.8	K46 M72	K46-Y70 WeakPolarHBondContact CD-O 3.4Å; Y70-M72 PolarHBondContact O-N 2.92Å
71	S	59.6	Low	79.3	Confident	105 Å²	105	63.3 Å²	63.3	73%	0.734	32%	0.319	S	S	*	.	S	Bend	trans	-76.6	-13	-175.7	58.1	0	0	0	0	115	K46	K46-S71 VanDerWaalsContact NZ-C 3.26Å; K46-S71 PolarHBondContact NZ-O 3.47Å
72	M	74.3	Confident	80.6	Confident	101 Å²	101	60 Å²	60	50%	0.498	30%	0.303	S	S	.	.			trans	-71.3	140	-179.5	-60.4	-152.1	-59.6	0	0	111.6	K46 Y70 E74 K75	K46-M72 PolarHBondContact NZ-O 3.17Å; K46-M72 VanDerWaalsContact NZ-O 3.1Å; Y70-M72 PolarHBondContact O-N 2.92Å; M72-E74 VanDerWaalsContact C-N 3.3Å; M72-E74 PolarHBondContact O-N 2.96Å; M72-K75 HydrophobicContact CE-CG 4.34Å; M72-K75 PolarHBondContact O-N 2.8Å
73	P	74.4	Confident	81.3	Confident	96 Å²	96	57.9 Å²	57.9	62%	0.623	29%	0.29	S	S	*	.	S	Bend	trans	-61.5	-36.7	176.5	-20.8	31.6	0	0	0	112.8	K75 E76	P73-K75 VanDerWaalsContact C-N 3.25Å; P73-K75 PolarHBondContact O-N 3.4Å; P73-E76 VanDerWaalsContact O-CB 3.27Å; P73-E76 WeakPolarHBondContact O-CB 3.46Å; P73-E76 PolarHBondContact O-N 2.84Å
74	E	76	Confident	81.6	Confident	127 Å²	127	57.5 Å²	57.5	59%	0.593	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.9	-178.1	-62.9	172.6	-175	0	0	113	M72 E76 D95	M72-E74 VanDerWaalsContact C-N 3.3Å; M72-E74 PolarHBondContact O-N 2.96Å; E74-E76 VanDerWaalsContact C-N 3.34Å; E74-D95 PolarHBondContact O-N 2.8Å
75	K	84	Confident	81.7	Confident	38 Å²	38	55.1 Å²	55.1	17%	0.165	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.7	178.7	-64.3	-59.1	-172.3	-168.9	0	113.6	W69 M72 P73 I77 D95 D97	W69-K75 PolarHBondContact NE1-O 3.33Å; M72-K75 HydrophobicContact CE-CG 4.34Å; M72-K75 PolarHBondContact O-N 2.8Å; P73-K75 VanDerWaalsContact C-N 3.25Å; P73-K75 PolarHBondContact O-N 3.4Å; K75-I77 PolarHBondContact O-N 2.84Å; K75-D95 VanDerWaalsContact CE-OD2 3.29Å; K75-D95 WeakPolarHBondContact CE-OD2 3.37Å; K75-D95 IonicContact NZ-OD1 3.23Å; K75-D95 IonicContact NZ-OD2 3.74Å; K75-D95 PolarHBondContact NZ-OD2 3.08Å; K75-D97 VanDerWaalsContact NZ-CG 3.29Å; K75-D97 IonicContact NZ-OD2 3.01Å; K75-D97 PolarHBondContact NZ-OD2 2.94Å
76	E	85.8	Confident	81.7	Confident	54 Å²	54	54.8 Å²	54.8	25%	0.252	28%	0.277	S	S	.	.			trans	-63.9	132.2	176.4	-177.7	175.9	-168.7	0	0	110.6	K26 P73 E74 S93 I94	K26-E76 IonicContact NZ-OE1 2.64Å; K26-E76 PolarHBondContact NZ-OE1 3.28Å; K26-E76 IonicContact NZ-OE2 2.74Å; P73-E76 VanDerWaalsContact O-CB 3.27Å; P73-E76 WeakPolarHBondContact O-CB 3.46Å; P73-E76 PolarHBondContact O-N 2.84Å; E74-E76 VanDerWaalsContact C-N 3.34Å; E76-S93 CarbonylContact O-C 3.6Å; E76-S93 WeakPolarHBondContact O-CA 3.35Å; E76-I94 HydrophobicContact CB-CD1 3.76Å; E76-I94 HydrophobicContact CB-CG1 4.17Å; E76-I94 HydrophobicContact CG-CD1 4.36Å; E76-I94 PolarHBondContact O-N 3.25Å
77	I	89.5	Confident	81.9	Confident	9 Å²	9	52 Å²	52	5%	0.046	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132	177.5	-58.2	-52	0	0	0	110.1	Y27 T42 W69 K75 I80 L91 Q92	Y27-I77 WeakPolarHBondContact CE2-O 3.4Å; T42-I77 HydrophobicContact CG2-CB 4.31Å; T42-I77 HydrophobicContact CG2-CG2 4Å; W69-I77 HydrophobicContact CD2-CD1 4.32Å; W69-I77 HydrophobicContact CD2-CG1 4.23Å; W69-I77 VanDerWaalsContact CE2-CD1 3.48Å; W69-I77 HydrophobicContact CG-CG1 4.37Å; W69-I77 HydrophobicContact CH2-CD1 4.41Å; W69-I77 HydrophobicContact CZ2-CD1 3.56Å; W69-I77 HydrophobicContact CZ2-CG1 4.36Å; K75-I77 PolarHBondContact O-N 2.84Å; I77-I80 HydrophobicContact CG2-CG2 3.57Å; I77-L91 HydrophobicContact CD1-CB 3.65Å; I77-L91 HydrophobicContact CD1-CD1 4.45Å; I77-L91 HydrophobicContact CG1-CB 4.26Å; I77-L91 HydrophobicContact CG2-CB 4.27Å; I77-Q92 CarbonylContact C-O 3.58Å; I77-Q92 WeakPolarHBondContact CA-O 3.44Å
78	V	89.4	Confident	82.2	Confident	9 Å²	9	48.9 Å²	48.9	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-19.6	178.1	-67.9	0	0	0	0	114.2	Y27 Q92 I94 V143 P144	Y27-V78 WeakPolarHBondContact CD1-O 3.36Å; Y27-V78 WeakPolarHBondContact CE1-O 3.33Å; Y27-V78 VanDerWaalsContact CE2-CA 3.44Å; Y27-V78 WeakPolarHBondContact CE2-O 3.35Å; Y27-V78 PolarHBondContact OH-O 3.21Å; V78-Q92 HydrophobicContact CG2-CG 4.46Å; V78-Q92 WeakPolarHBondContact CG2-O 3.45Å; V78-Q92 PolarHBondContact N-O 3.5Å; V78-I94 HydrophobicContact CG1-CB 4.47Å; V78-I94 HydrophobicContact CG1-CD1 4.35Å; V78-I94 HydrophobicContact CG1-CG1 3.41Å; V78-I94 VanDerWaalsContact CG1-CG1 3.41Å; V78-V143 HydrophobicContact CG1-CG1 4.48Å; V78-P144 HydrophobicContact CG2-CB 4.38Å; V78-P144 HydrophobicContact CG2-CG 3.77Å; V78-P144 WeakPolarHBondContact CG2-O 3.45Å
79	S	90.2	Very high	82.7	Confident	14 Å²	14	40.9 Å²	40.9	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	152.9	176.1	-154.3	0	0	0	0	111.2	Q92 L147	S79-Q92 PolarHBondContact N-O 3.27Å; S79-Q92 PolarHBondContact O-N 3.44Å; S79-L147 PolarHBondContact OG-N 2.86Å
80	I	92.5	Very high	83.3	Confident	13 Å²	13	40 Å²	40	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143	-177.6	59.4	170.3	0	0	0	110.8	A29 A40 T42 I77 F90 L91	A29-I80 HydrophobicContact CB-CB 4.32Å; A29-I80 HydrophobicContact CB-CD1 3.84Å; A29-I80 HydrophobicContact CB-CG1 3.71Å; A29-I80 VanDerWaalsContact N-CD1 3.26Å; A40-I80 HydrophobicContact CB-CD1 4.21Å; A40-I80 WeakPolarHBondContact O-CD1 3.47Å; T42-I80 HydrophobicContact CG2-CG2 4.01Å; I77-I80 HydrophobicContact CG2-CG2 3.57Å; I80-F90 CarbonylContact C-O 3.58Å; I80-F90 VanDerWaalsContact CA-O 3.3Å; I80-F90 WeakPolarHBondContact CA-O 3.36Å; I80-L91 HydrophobicContact CB-CD2 4.01Å; I80-L91 HydrophobicContact CG2-CB 4.49Å; I80-L91 HydrophobicContact CG2-CD2 3.27Å; I80-L91 HydrophobicContact CG2-CG 4.47Å
81	A	90.5	Very high	84.7	Confident	10 Å²	10	33.3 Å²	33.3	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	147.4	178.3	0	0	0	0	0	111.4	F90 L147	A81-F90 PolarHBondContact N-O 3.44Å; A81-F90 PolarHBondContact O-N 3.17Å; A81-L147 HydrophobicContact CB-CB 4.31Å; A81-L147 HydrophobicContact CB-CD2 3.9Å; A81-L147 HydrophobicContact CB-CG 3.88Å
82	F	90	Very high	86.2	Confident	16 Å²	16	28.3 Å²	28.3	7%	0.07	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	156.2	169.1	-79.3	-75.4	0	0	0	110.9	A29 L38 A40 W88 L89 V103 C149	A29-F82 HydrophobicContact CB-CD2 3.97Å; A29-F82 HydrophobicContact CB-CE2 4.14Å; L38-F82 HydrophobicContact CB-CE1 4.36Å; L38-F82 HydrophobicContact CB-CE2 4.33Å; L38-F82 HydrophobicContact CB-CZ 3.93Å; L38-F82 HydrophobicContact CD1-CE1 4.46Å; A40-F82 HydrophobicContact CB-CE2 3.79Å; A40-F82 HydrophobicContact CB-CZ 3.64Å; F82-W88 CarbonylContact C-O 3.6Å; F82-W88 WeakPolarHBondContact CA-O 3.44Å; F82-L89 HydrophobicContact CD1-CB 4.46Å; F82-L89 HydrophobicContact CD1-CD1 4.17Å; F82-L89 HydrophobicContact CE1-CB 4.32Å; F82-L89 HydrophobicContact CE1-CD1 4Å; F82-L89 HydrophobicContact CE2-CD1 4.43Å; F82-L89 HydrophobicContact CG-CD1 4.46Å; F82-L89 HydrophobicContact CZ-CD1 4.14Å; F82-V103 HydrophobicContact CD1-CG2 4.23Å; F82-V103 HydrophobicContact CE1-CG2 3.72Å; F82-C149 WeakPolarHBondContact O-CB 3.19Å
83	S	86.4	Confident	87	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.014	13%	0.126	C	C	.	.			trans	-62.4	156.8	160.7	62.9	0	0	0	0	110.8	T85 G86 H87 W88 E120	S83-T85 PolarHBondContact O-N 3.29Å; S83-T85 PolarHBondContact OG-OG1 3.34Å; S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 PolarHBondContact OG-N 2.92Å; S83-H87 PolarHBondContact OG-N 3.42Å; S83-W88 PolarHBondContact N-O 3Å; S83-W88 PolarHBondContact OG-N 2.9Å; S83-E120 PolarHBondContact OG-OE2 3.01Å
84	P	79.4	Confident	87.6	Confident	50 Å²	50	21.6 Å²	21.6	33%	0.325	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16	174.1	-26.7	38.1	0	0	0	114.4	Y31 L151 L158	Y31-P84 WeakPolarHBondContact CE2-O 3.3Å; P84-L151 HydrophobicContact CB-CG 4.43Å; P84-L151 HydrophobicContact CG-CG 4.19Å; P84-L158 HydrophobicContact CG-CD1 4.1Å
85	T	79.6	Confident	88	Confident	7 Å²	7	17 Å²	17	4%	0.043	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-10.7	174.5	60.5	0	0	0	0	114.1	Y31 S83 H87 A118 E120	Y31-T85 VanDerWaalsContact CZ-C 3.45Å; Y31-T85 PolarHBondContact OH-O 3.42Å; S83-T85 PolarHBondContact O-N 3.29Å; S83-T85 PolarHBondContact OG-OG1 3.34Å; T85-H87 VanDerWaalsContact C-N 3.27Å; T85-H87 PolarHBondContact O-N 3.33Å; T85-H87 PolarHBondContact OG1-CD2 3.05Å; T85-A118 HydrophobicContact CG2-CB 3.72Å; T85-E120 HydrophobicContact CG2-CG 3.8Å; T85-E120 WeakPolarHBondContact CG2-OE1 3.49Å; T85-E120 PolarHBondContact OG1-OE1 3.46Å; T85-E120 PolarHBondContact OG1-OE2 3.28Å
86	G	82.7	Confident	88.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	76.8	-1.1	-177.2	0	0	0	0	0	115.6	L38 S83 V103	L38-G86 WeakPolarHBondContact CD1-O 3.34Å; S83-G86 PolarHBondContact O-N 2.93Å; S83-G86 PolarHBondContact OG-N 2.92Å; G86-V103 WeakPolarHBondContact O-CG2 3.45Å
87	H	85	Confident	88.4	Confident	38 Å²	38	13.6 Å²	13.6	18%	0.176	8%	0.075	C	C	.	.	S	Bend	trans	-76.6	-28.2	-178.7	-69.9	-67.6	0	0	0	114	S83 T85 V103 L115 P116	S83-H87 PolarHBondContact OG-N 3.42Å; T85-H87 VanDerWaalsContact C-N 3.27Å; T85-H87 PolarHBondContact O-N 3.33Å; T85-H87 PolarHBondContact OG1-CD2 3.05Å; H87-V103 WeakPolarHBondContact O-CG2 3.26Å; H87-V103 PolarHBondContact O-N 2.86Å; H87-L115 WeakPolarHBondContact CE1-CB 3.48Å; H87-P116 PolarHBondContact NE2-O 3.12Å
88	W	89.9	Confident	88.6	Confident	10 Å²	10	13.1 Å²	13.1	4%	0.038	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139	-176	-59.8	97.9	0	0	0	111.3	F82 S83 F90 I100 H102 L122 F124 R126	F82-W88 CarbonylContact C-O 3.6Å; F82-W88 WeakPolarHBondContact CA-O 3.44Å; S83-W88 PolarHBondContact N-O 3Å; S83-W88 PolarHBondContact OG-N 2.9Å; W88-F90 HydrophobicContact CB-CE2 4Å; W88-F90 HydrophobicContact CB-CZ 4.1Å; W88-I100 HydrophobicContact CE3-CG2 3.74Å; W88-I100 HydrophobicContact CZ3-CG2 4.22Å; W88-H102 AromaticContact CE2-CD2 3.92Å; W88-H102 HydrophobicContact CE3-CB 4.02Å; W88-H102 AromaticContact CE3-CD2 3.96Å; W88-H102 HydrophobicContact CH2-CB 4.37Å; W88-H102 AromaticContact CH2-CD2 3.76Å; W88-H102 AromaticContact CZ2-CD2 3.82Å; W88-H102 HydrophobicContact CZ3-CB 3.75Å; W88-H102 AromaticContact CZ3-CD2 3.84Å; W88-L122 HydrophobicContact CD2-CD1 4.12Å; W88-L122 HydrophobicContact CG-CD1 3.91Å; W88-L122 HydrophobicContact CZ2-CB 4Å; W88-F124 HydrophobicContact CH2-CB 3.72Å; W88-F124 HydrophobicContact CZ3-CB 3.84Å; W88-R126 HydrophobicContact CH2-CG 4.46Å
89	L	92.5	Very high	88.7	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122	173.6	179.7	65.4	0	0	0	109.3	A40 V48 V50 F82 L91 L101 V103	A40-L89 HydrophobicContact CB-CD1 3.61Å; A40-L89 HydrophobicContact CB-CD2 3.94Å; A40-L89 HydrophobicContact CB-CG 4.46Å; V48-L89 HydrophobicContact CG1-CD2 4.2Å; V50-L89 HydrophobicContact CG2-CD2 3.76Å; F82-L89 HydrophobicContact CD1-CB 4.46Å; F82-L89 HydrophobicContact CD1-CD1 4.17Å; F82-L89 HydrophobicContact CE1-CB 4.32Å; F82-L89 HydrophobicContact CE1-CD1 4Å; F82-L89 HydrophobicContact CE2-CD1 4.43Å; F82-L89 HydrophobicContact CG-CD1 4.46Å; F82-L89 HydrophobicContact CZ-CD1 4.14Å; L89-L91 HydrophobicContact CD1-CD2 4.28Å; L89-L91 HydrophobicContact CD2-CD2 3.92Å; L89-L91 HydrophobicContact CG-CD2 3.86Å; L89-L91 HydrophobicContact CG-CG 4.39Å; L89-L101 HydrophobicContact CB-CB 4.45Å; L89-L101 PolarHBondContact N-O 3.4Å; L89-L101 PolarHBondContact O-N 3.12Å; L89-V103 HydrophobicContact CB-CG2 4.41Å
90	F	93.6	Very high	88.8	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.7	176.7	-58.8	-84.8	0	0	0	109.7	I80 A81 W88 I98 H99 I100 L122 L147 C149 L158 L160	I80-F90 CarbonylContact C-O 3.58Å; I80-F90 VanDerWaalsContact CA-O 3.3Å; I80-F90 WeakPolarHBondContact CA-O 3.36Å; A81-F90 PolarHBondContact N-O 3.44Å; A81-F90 PolarHBondContact O-N 3.17Å; W88-F90 HydrophobicContact CB-CE2 4Å; W88-F90 HydrophobicContact CB-CZ 4.1Å; F90-I98 HydrophobicContact CB-CG2 4.24Å; F90-I98 HydrophobicContact CD1-CG2 4.11Å; F90-H99 CarbonylContact C-O 3.51Å; F90-H99 WeakPolarHBondContact CA-O 3.13Å; F90-I100 HydrophobicContact CD1-CB 4.45Å; F90-I100 HydrophobicContact CD1-CD1 4.42Å; F90-I100 HydrophobicContact CD1-CG1 3.85Å; F90-I100 HydrophobicContact CD1-CG2 4.27Å; F90-I100 HydrophobicContact CE1-CB 4.43Å; F90-I100 HydrophobicContact CE1-CD1 4.02Å; F90-I100 HydrophobicContact CE1-CG1 3.89Å; F90-I100 HydrophobicContact CE1-CG2 3.9Å; F90-L122 HydrophobicContact CZ-CD1 4.26Å; F90-L147 HydrophobicContact CB-CD2 3.71Å; F90-C149 HydrophobicContact CD2-CB 4.4Å; F90-C149 HydrophobicContact CE2-CB 4.37Å; F90-L158 HydrophobicContact CZ-CD2 4.08Å; F90-L160 HydrophobicContact CB-CD2 4.44Å; F90-L160 HydrophobicContact CD1-CD1 3.83Å; F90-L160 HydrophobicContact CD1-CD2 4.01Å; F90-L160 HydrophobicContact CD2-CD2 3.92Å; F90-L160 HydrophobicContact CE1-CD1 3.92Å; F90-L160 HydrophobicContact CE1-CD2 4.23Å; F90-L160 HydrophobicContact CE1-CG 4.5Å; F90-L160 HydrophobicContact CE2-CD2 4.14Å; F90-L160 HydrophobicContact CG-CD1 4.47Å; F90-L160 HydrophobicContact CG-CD2 3.86Å; F90-L160 HydrophobicContact CZ-CD2 4.3Å
91	L	93.3	Very high	88.7	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.5	177.4	-48.5	174.9	0	0	0	109.2	V48 W69 I77 I80 L89 H99 L101	V48-L91 HydrophobicContact CG1-CD1 4.18Å; V48-L91 HydrophobicContact CG1-CD2 4.34Å; V48-L91 HydrophobicContact CG2-CD1 3.76Å; W69-L91 HydrophobicContact CE3-CD1 4.03Å; W69-L91 HydrophobicContact CH2-CD1 3.74Å; W69-L91 HydrophobicContact CZ2-CD1 4.42Å; W69-L91 HydrophobicContact CZ3-CD1 3.5Å; W69-L91 VanDerWaalsContact CZ3-CD1 3.5Å; I77-L91 HydrophobicContact CD1-CB 3.65Å; I77-L91 HydrophobicContact CD1-CD1 4.45Å; I77-L91 HydrophobicContact CG1-CB 4.26Å; I77-L91 HydrophobicContact CG2-CB 4.27Å; I80-L91 HydrophobicContact CB-CD2 4.01Å; I80-L91 HydrophobicContact CG2-CB 4.49Å; I80-L91 HydrophobicContact CG2-CD2 3.27Å; I80-L91 HydrophobicContact CG2-CG 4.47Å; L89-L91 HydrophobicContact CD1-CD2 4.28Å; L89-L91 HydrophobicContact CD2-CD2 3.92Å; L89-L91 HydrophobicContact CG-CD2 3.86Å; L89-L91 HydrophobicContact CG-CG 4.39Å; L91-H99 HydrophobicContact CB-CB 4.3Å; L91-H99 PolarHBondContact N-O 3.36Å; L91-H99 PolarHBondContact O-N 3.2Å; L91-L101 HydrophobicContact CD1-CD1 3.45Å; L91-L101 VanDerWaalsContact CD1-CD1 3.45Å; L91-L101 HydrophobicContact CD1-CD2 4.39Å; L91-L101 HydrophobicContact CG-CD1 3.84Å
92	Q	91.8	Very high	88.7	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.8	178.4	-171.3	169	30.7	0	0	110.5	I77 V78 S79 D97 I98 P144 L147 Y162	I77-Q92 CarbonylContact C-O 3.58Å; I77-Q92 WeakPolarHBondContact CA-O 3.44Å; V78-Q92 HydrophobicContact CG2-CG 4.46Å; V78-Q92 WeakPolarHBondContact CG2-O 3.45Å; V78-Q92 PolarHBondContact N-O 3.5Å; S79-Q92 PolarHBondContact N-O 3.27Å; S79-Q92 PolarHBondContact O-N 3.44Å; Q92-D97 WeakPolarHBondContact CA-O 3.44Å; Q92-I98 HydrophobicContact CG-CG1 4.31Å; Q92-P144 VanDerWaalsContact CD-CG 3.5Å; Q92-P144 HydrophobicContact CG-CB 3.97Å; Q92-P144 HydrophobicContact CG-CG 3.64Å; Q92-L147 HydrophobicContact CB-CD2 4.17Å; Q92-Y162 VanDerWaalsContact NE2-CD2 3.27Å
93	S	89.7	Confident	88.6	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	168.3	176.4	52.4	0	0	0	0	113.1	E76 D95 E96 D97 P144	E76-S93 CarbonylContact O-C 3.6Å; E76-S93 WeakPolarHBondContact O-CA 3.35Å; S93-D95 VanDerWaalsContact C-N 3.25Å; S93-D95 WeakPolarHBondContact CB-OD1 3.4Å; S93-D95 PolarHBondContact O-N 2.85Å; S93-D95 PolarHBondContact OG-OD1 3.29Å; S93-E96 PolarHBondContact O-N 3Å; S93-D97 PolarHBondContact N-O 3.06Å; S93-D97 WeakPolarHBondContact OG-CB 3.35Å; S93-D97 PolarHBondContact OG-N 3.23Å; S93-D97 PolarHBondContact OG-O 3.07Å; S93-P144 WeakPolarHBondContact O-CG 3.36Å
94	I	87.5	Confident	88.5	Confident	55 Å²	55	12.5 Å²	12.5	28%	0.282	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.8	177.4	-67.8	179.3	0	0	0	111.7	E76 V78 E96 V143	E76-I94 HydrophobicContact CB-CD1 3.76Å; E76-I94 HydrophobicContact CB-CG1 4.17Å; E76-I94 HydrophobicContact CG-CD1 4.36Å; E76-I94 PolarHBondContact O-N 3.25Å; V78-I94 HydrophobicContact CG1-CB 4.47Å; V78-I94 HydrophobicContact CG1-CD1 4.35Å; V78-I94 HydrophobicContact CG1-CG1 3.41Å; V78-I94 VanDerWaalsContact CG1-CG1 3.41Å; I94-E96 PolarHBondContact O-N 3.19Å; I94-E96 VanDerWaalsContact O-N 3.12Å; I94-V143 HydrophobicContact CG2-CG2 4.16Å
95	D	85.8	Confident	88.8	Confident	31 Å²	31	12.9 Å²	12.9	17%	0.166	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	20.7	-179.5	67.1	-16.4	0	0	0	114.7	E74 K75 S93 D97	E74-D95 PolarHBondContact O-N 2.8Å; K75-D95 VanDerWaalsContact CE-OD2 3.29Å; K75-D95 WeakPolarHBondContact CE-OD2 3.37Å; K75-D95 IonicContact NZ-OD1 3.23Å; K75-D95 IonicContact NZ-OD2 3.74Å; K75-D95 PolarHBondContact NZ-OD2 3.08Å; S93-D95 VanDerWaalsContact C-N 3.25Å; S93-D95 WeakPolarHBondContact CB-OD1 3.4Å; S93-D95 PolarHBondContact O-N 2.85Å; S93-D95 PolarHBondContact OG-OD1 3.29Å; D95-D97 PolarHBondContact O-N 3Å; D95-D97 VanDerWaalsContact O-N 3.16Å
96	E	87.8	Confident	89	Confident	6 Å²	6	13.5 Å²	13.5	3%	0.028	7%	0.069	C	C	.	.	S	Bend	trans	63.3	6.7	-178	-50.6	-177.5	171.8	0	0	115.8	S93 I94 R135 R179	S93-E96 PolarHBondContact O-N 3Å; I94-E96 PolarHBondContact O-N 3.19Å; I94-E96 VanDerWaalsContact O-N 3.12Å; E96-R135 PolarHBondContact OE2-N 3.39Å; E96-R179 VanDerWaalsContact O-CZ 3.24Å; E96-R179 PolarHBondContact O-NH1 3.4Å; E96-R179 PolarHBondContact O-NH2 3.47Å; E96-R179 IonicContact OE2-NH1 2.67Å
97	D	90	Very high	89	Confident	14 Å²	14	13.5 Å²	13.5	8%	0.075	7%	0.07	C	C	.	.			trans	-66	139.5	171.4	-77.4	12.4	0	0	0	110	K75 Q92 S93 D95 L132 Q133 G134	K75-D97 VanDerWaalsContact NZ-CG 3.29Å; K75-D97 IonicContact NZ-OD2 3.01Å; K75-D97 PolarHBondContact NZ-OD2 2.94Å; Q92-D97 WeakPolarHBondContact CA-O 3.44Å; S93-D97 PolarHBondContact N-O 3.06Å; S93-D97 WeakPolarHBondContact OG-CB 3.35Å; S93-D97 PolarHBondContact OG-N 3.23Å; S93-D97 PolarHBondContact OG-O 3.07Å; D95-D97 PolarHBondContact O-N 3Å; D95-D97 VanDerWaalsContact O-N 3.16Å; D97-L132 WeakPolarHBondContact CA-O 3.29Å; D97-Q133 VanDerWaalsContact OD1-CA 3.3Å; D97-Q133 WeakPolarHBondContact OD1-CA 3.39Å; D97-G134 PolarHBondContact OD1-N 3.39Å
98	I	92.6	Very high	88.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.4	172.2	-58.1	174.7	0	0	0	107.5	F90 Q92 A131 L132 L147 L160 Y162 V172	F90-I98 HydrophobicContact CB-CG2 4.24Å; F90-I98 HydrophobicContact CD1-CG2 4.11Å; Q92-I98 HydrophobicContact CG-CG1 4.31Å; I98-A131 WeakPolarHBondContact O-CA 3.3Å; I98-L132 HydrophobicContact CB-CB 4.28Å; I98-L132 HydrophobicContact CB-CD1 4.27Å; I98-L132 HydrophobicContact CG2-CD1 4.5Å; I98-L132 PolarHBondContact N-O 3.19Å; I98-L132 PolarHBondContact O-N 3.41Å; I98-L147 HydrophobicContact CD1-CD1 4.32Å; I98-L160 HydrophobicContact CD1-CD1 4.23Å; I98-L160 HydrophobicContact CG2-CD1 4.15Å; I98-Y162 HydrophobicContact CD1-CD1 4.32Å; I98-V172 HydrophobicContact CD1-CG2 4.34Å
99	H	91.7	Very high	87.7	Confident	12 Å²	12	18.5 Å²	18.5	6%	0.056	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.2	176.1	-57.6	-86.3	0	0	0	110.3	W69 F90 L91 L101 I129 S130	W69-H99 HydrophobicContact CH2-CB 3.61Å; W69-H99 AromaticContact CH2-CD2 3.98Å; W69-H99 AromaticContact CH2-CG 3.59Å; W69-H99 AromaticContact CH2-ND1 3.99Å; W69-H99 HydrophobicContact CZ2-CB 4.05Å; W69-H99 AromaticContact CZ2-CD2 3.47Å; W69-H99 VanDerWaalsContact CZ2-CD2 3.47Å; W69-H99 WeakPolarHBondContact CZ2-CD2 3.27Å; W69-H99 AromaticContact CZ2-CG 3.56Å; W69-H99 AromaticContact CZ2-ND1 3.95Å; W69-H99 AromaticContact CZ2-NE2 3.78Å; F90-H99 CarbonylContact C-O 3.51Å; F90-H99 WeakPolarHBondContact CA-O 3.13Å; L91-H99 HydrophobicContact CB-CB 4.3Å; L91-H99 PolarHBondContact N-O 3.36Å; L91-H99 PolarHBondContact O-N 3.2Å; H99-L101 HydrophobicContact CB-CD1 4.24Å; H99-I129 HydrophobicContact CB-CG2 4.09Å; H99-S130 CarbonylContact C-O 3.57Å; H99-S130 WeakPolarHBondContact CA-O 3.21Å
100	I	92	Very high	86.6	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.3	-175	-49.3	179.2	0	0	0	107.5	W88 F90 F124 S130 L132	W88-I100 HydrophobicContact CE3-CG2 3.74Å; W88-I100 HydrophobicContact CZ3-CG2 4.22Å; F90-I100 HydrophobicContact CD1-CB 4.45Å; F90-I100 HydrophobicContact CD1-CD1 4.42Å; F90-I100 HydrophobicContact CD1-CG1 3.85Å; F90-I100 HydrophobicContact CD1-CG2 4.27Å; F90-I100 HydrophobicContact CE1-CB 4.43Å; F90-I100 HydrophobicContact CE1-CD1 4.02Å; F90-I100 HydrophobicContact CE1-CG1 3.89Å; F90-I100 HydrophobicContact CE1-CG2 3.9Å; I100-F124 HydrophobicContact CD1-CD1 4.41Å; I100-F124 HydrophobicContact CD1-CD2 3.84Å; I100-F124 HydrophobicContact CD1-CE1 4.04Å; I100-F124 HydrophobicContact CD1-CE2 3.42Å; I100-F124 VanDerWaalsContact CD1-CE2 3.42Å; I100-F124 HydrophobicContact CD1-CG 4.33Å; I100-F124 HydrophobicContact CD1-CZ 3.54Å; I100-F124 HydrophobicContact CG2-CD2 4.15Å; I100-S130 PolarHBondContact N-O 3.37Å; I100-S130 PolarHBondContact O-N 3.22Å; I100-S130 VanDerWaalsContact O-N 3.08Å; I100-L132 HydrophobicContact CD1-CD1 4.1Å; I100-L132 HydrophobicContact CD1-CD2 4.14Å; I100-L132 HydrophobicContact CD1-CG 3.95Å
101	L	91.3	Very high	85.5	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.3	178	-68.3	84.2	0	0	0	109.2	W69 L89 L91 H99 I129	W69-L101 HydrophobicContact CH2-CD1 4.31Å; W69-L101 HydrophobicContact CZ3-CD1 4.16Å; W69-L101 HydrophobicContact CZ3-CD2 4.41Å; L89-L101 HydrophobicContact CB-CB 4.45Å; L89-L101 PolarHBondContact N-O 3.4Å; L89-L101 PolarHBondContact O-N 3.12Å; L91-L101 HydrophobicContact CD1-CD1 3.45Å; L91-L101 VanDerWaalsContact CD1-CD1 3.45Å; L91-L101 HydrophobicContact CD1-CD2 4.39Å; L91-L101 HydrophobicContact CG-CD1 3.84Å; H99-L101 HydrophobicContact CB-CD1 4.24Å; L101-I129 HydrophobicContact CD1-CD1 4.47Å; L101-I129 HydrophobicContact CD1-CG2 3.9Å; L101-I129 HydrophobicContact CD2-CD1 3.73Å; L101-I129 HydrophobicContact CD2-CG1 4.11Å; L101-I129 HydrophobicContact CG-CB 4.5Å; L101-I129 HydrophobicContact CG-CD1 4Å; L101-I129 HydrophobicContact CG-CG1 3.93Å; L101-I129 HydrophobicContact CG-CG2 4.05Å
102	H	90.4	Very high	84.3	Confident	8 Å²	8	25 Å²	25	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.6	167.9	-166.1	-92.7	0	0	0	109.2	W88 S104 M105 R126	W88-H102 AromaticContact CE2-CD2 3.92Å; W88-H102 HydrophobicContact CE3-CB 4.02Å; W88-H102 AromaticContact CE3-CD2 3.96Å; W88-H102 HydrophobicContact CH2-CB 4.37Å; W88-H102 AromaticContact CH2-CD2 3.76Å; W88-H102 AromaticContact CZ2-CD2 3.82Å; W88-H102 HydrophobicContact CZ3-CB 3.75Å; W88-H102 AromaticContact CZ3-CD2 3.84Å; H102-S104 PolarHBondContact CE1-OG 3.16Å; H102-S104 VanDerWaalsContact ND1-CB 3.27Å; H102-S104 WeakPolarHBondContact ND1-CB 3.49Å; H102-S104 PolarHBondContact ND1-N 2.66Å; H102-S104 PolarHBondContact ND1-OG 3.02Å; H102-S104 PolarHBondContact O-N 3.45Å; H102-S104 VanDerWaalsContact O-N 3.07Å; H102-M105 HydrophobicContact CB-CG 4.42Å; H102-M105 WeakPolarHBondContact O-CB 3.38Å; H102-M105 WeakPolarHBondContact O-CG 3.4Å; H102-M105 PolarHBondContact O-N 3.36Å; H102-R126 HydrophobicContact CB-CB 4.2Å; H102-R126 HydrophobicContact CB-CG 4.38Å
103	V	88.1	Confident	83	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.012	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.8	-176.4	173.5	0	0	0	0	112.1	L38 V50 F82 G86 H87 L89 M105 L106 V107 L112	L38-V103 HydrophobicContact CD1-CG1 4.31Å; L38-V103 HydrophobicContact CD2-CG1 4.04Å; V50-V103 HydrophobicContact CG1-CG1 4.27Å; F82-V103 HydrophobicContact CD1-CG2 4.23Å; F82-V103 HydrophobicContact CE1-CG2 3.72Å; G86-V103 WeakPolarHBondContact O-CG2 3.45Å; H87-V103 WeakPolarHBondContact O-CG2 3.26Å; H87-V103 PolarHBondContact O-N 2.86Å; L89-V103 HydrophobicContact CB-CG2 4.41Å; V103-M105 PolarHBondContact O-N 3.41Å; V103-M105 VanDerWaalsContact O-N 3.16Å; V103-L106 PolarHBondContact O-N 3.4Å; V103-L106 VanDerWaalsContact O-N 3.11Å; V103-V107 HydrophobicContact CG1-CB 4.38Å; V103-V107 HydrophobicContact CG1-CG2 4.35Å; V103-V107 PolarHBondContact O-N 2.87Å; V103-L112 HydrophobicContact CB-CD1 4.43Å; V103-L112 HydrophobicContact CG1-CD1 4.17Å; V103-L112 HydrophobicContact CG1-CD2 3.88Å
104	S	84.8	Confident	81.8	Confident	26 Å²	26	34.9 Å²	34.9	18%	0.182	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.2	-15	175.2	75.9	0	0	0	0	115.1	H102 L106 V107	H102-S104 PolarHBondContact CE1-OG 3.16Å; H102-S104 VanDerWaalsContact ND1-CB 3.27Å; H102-S104 WeakPolarHBondContact ND1-CB 3.49Å; H102-S104 PolarHBondContact ND1-N 2.66Å; H102-S104 PolarHBondContact ND1-OG 3.02Å; H102-S104 PolarHBondContact O-N 3.45Å; H102-S104 VanDerWaalsContact O-N 3.07Å; S104-L106 PolarHBondContact O-N 3.09Å; S104-V107 CarbonylContact C-O 3.48Å; S104-V107 WeakPolarHBondContact CA-O 3.37Å
105	M	84.2	Confident	80.8	Confident	57 Å²	57	32.5 Å²	32.5	28%	0.281	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-69.6	-26.4	174.9	-62.5	-177.9	75.6	0	0	111.9	H102 V103 R126 E127 I129	H102-M105 HydrophobicContact CB-CG 4.42Å; H102-M105 WeakPolarHBondContact O-CB 3.38Å; H102-M105 WeakPolarHBondContact O-CG 3.4Å; H102-M105 PolarHBondContact O-N 3.36Å; V103-M105 PolarHBondContact O-N 3.41Å; V103-M105 VanDerWaalsContact O-N 3.16Å; M105-R126 WeakPolarHBondContact CG-O 3.46Å; M105-E127 VanDerWaalsContact CE-C 3.49Å; M105-E127 WeakPolarHBondContact CE-O 3.39Å; M105-I129 HydrophobicContact CE-CG1 3.97Å; M105-I129 HydrophobicContact SD-CG1 4.4Å
106	L	84.7	Confident	79.6	Confident	20 Å²	20	33.6 Å²	33.6	11%	0.105	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-37.7	-177	-72.4	173.1	0	0	0	111.8	V48 V50 G65 E66 V103 S104	V48-L106 HydrophobicContact CG1-CD1 4.36Å; V50-L106 HydrophobicContact CB-CB 4.05Å; V50-L106 HydrophobicContact CB-CD1 3.85Å; V50-L106 HydrophobicContact CG2-CB 4.41Å; V50-L106 HydrophobicContact CG2-CD1 3.36Å; G65-L106 WeakPolarHBondContact CA-O 3.11Å; E66-L106 VanDerWaalsContact C-CD2 3.44Å; V103-L106 PolarHBondContact O-N 3.4Å; V103-L106 VanDerWaalsContact O-N 3.11Å; S104-L106 PolarHBondContact O-N 3.09Å
107	V	82.1	Confident	77.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.218	C	C	.	.	S	Bend	trans	-113.9	132.6	-178	-176.3	0	0	0	0	109.6	V50 L52 H63 V103 S104 T109 V111 L112	V50-V107 HydrophobicContact CB-CG2 4.32Å; V50-V107 HydrophobicContact CG1-CG2 3.79Å; L52-V107 HydrophobicContact CB-CG1 3.98Å; L52-V107 HydrophobicContact CB-CG2 4.39Å; L52-V107 HydrophobicContact CD1-CG1 4.12Å; H63-V107 HydrophobicContact CB-CG1 3.98Å; V103-V107 HydrophobicContact CG1-CB 4.38Å; V103-V107 HydrophobicContact CG1-CG2 4.35Å; V103-V107 PolarHBondContact O-N 2.87Å; S104-V107 CarbonylContact C-O 3.48Å; S104-V107 WeakPolarHBondContact CA-O 3.37Å; V107-T109 PolarHBondContact O-N 3.49Å; V107-V111 HydrophobicContact CG1-CB 4.43Å; V107-L112 HydrophobicContact CG1-CD2 4.41Å
108	P	76.2	Confident	75.8	Confident	63 Å²	63	44.5 Å²	44.5	41%	0.409	24%	0.235	S	C	.	.			trans	-53.5	132.7	-179.6	-28.4	36.4	0	0	0	113.5	N110 V111	P108-N110 WeakPolarHBondContact CB-OD1 3.36Å; P108-N110 PolarHBondContact O-N 3.31Å; P108-N110 VanDerWaalsContact O-N 3.16Å; P108-N110 PolarHBondContact O-OD1 3.22Å; P108-V111 HydrophobicContact CB-CG2 4.19Å; P108-V111 WeakPolarHBondContact O-CB 3.16Å; P108-V111 PolarHBondContact O-N 3.39Å
109	T	71.5	Confident	73.5	Confident	89 Å²	89	53.9 Å²	53.9	55%	0.546	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.3	-30.7	-173.9	-27.1	0	0	0	0	113.4	V107 V111 L112	V107-T109 PolarHBondContact O-N 3.49Å; T109-V111 PolarHBondContact O-N 2.9Å; T109-L112 PolarHBondContact O-N 3.37Å
110	N	70.2	Confident	71.7	Confident	124 Å²	124	55 Å²	55	66%	0.663	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.5	-20.8	176.2	60.6	-39	0	0	0	113.3	P108	P108-N110 WeakPolarHBondContact CB-OD1 3.36Å; P108-N110 PolarHBondContact O-N 3.31Å; P108-N110 VanDerWaalsContact O-N 3.16Å; P108-N110 PolarHBondContact O-OD1 3.22Å
111	V	69.3	Low	69.9	Low	6 Å²	6	57.9 Å²	57.9	4%	0.036	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-90.5	-20	-179.5	-167.6	0	0	0	0	111.9	L52 V107 P108 T109 W113	L52-V111 HydrophobicContact CD1-CG1 3.88Å; L52-V111 HydrophobicContact CD2-CG1 3.5Å; L52-V111 HydrophobicContact CG-CG1 4.33Å; V107-V111 HydrophobicContact CG1-CB 4.43Å; P108-V111 HydrophobicContact CB-CG2 4.19Å; P108-V111 WeakPolarHBondContact O-CB 3.16Å; P108-V111 PolarHBondContact O-N 3.39Å; T109-V111 PolarHBondContact O-N 2.9Å; V111-W113 PolarHBondContact O-N 3.25Å
112	L	69.4	Low	68.8	Low	9 Å²	9	58.5 Å²	58.5	5%	0.047	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-84.7	-0.2	-174.4	-62.6	172.6	0	0	0	114.7	L38 L52 V103 V107 T109 N114 L115	L38-L112 HydrophobicContact CD2-CD2 4.49Å; L52-L112 HydrophobicContact CD1-CD2 3.75Å; V103-L112 HydrophobicContact CB-CD1 4.43Å; V103-L112 HydrophobicContact CG1-CD1 4.17Å; V103-L112 HydrophobicContact CG1-CD2 3.88Å; V107-L112 HydrophobicContact CG1-CD2 4.41Å; T109-L112 PolarHBondContact O-N 3.37Å; L112-N114 PolarHBondContact O-N 3.36Å; L112-L115 HydrophobicContact CB-CD1 4.21Å; L112-L115 HydrophobicContact CD2-CD1 3.89Å; L112-L115 WeakPolarHBondContact O-CB 3.27Å; L112-L115 PolarHBondContact O-N 3.35Å
113	W	63.7	Low	67.9	Low	149 Å²	149	66.3 Å²	66.3	56%	0.564	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-59.7	-18.5	-172	67.4	-67.9	0	0	0	116.7	V111	V111-W113 PolarHBondContact O-N 3.25Å
114	N	65.2	Low	67.7	Low	58 Å²	58	68.4 Å²	68.4	31%	0.31	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-94.2	-2.6	178.4	-92.7	13.6	0	0	0	113.8	I36 R54 L112	I36-N114 HydrophobicContact CD1-CB 3.46Å; I36-N114 VanDerWaalsContact CD1-CB 3.46Å; I36-N114 HydrophobicContact CG1-CB 4.47Å; R54-N114 PolarHBondContact NH2-ND2 2.9Å; R54-N114 VanDerWaalsContact NH2-ND2 3.18Å; L112-N114 PolarHBondContact O-N 3.36Å
115	L	66.2	Low	67.5	Low	4 Å²	4	69.3 Å²	69.3	2%	0.021	36%	0.364	C	S	.	.	S	Bend	trans	-64.8	144.1	167.3	-69	176.1	0	0	0	108.9	Y31 L38 H87 L112 F117	Y31-L115 HydrophobicContact CD1-CD2 3.89Å; Y31-L115 HydrophobicContact CE1-CD2 3.35Å; L38-L115 HydrophobicContact CD1-CD1 4.16Å; L38-L115 HydrophobicContact CD1-CD2 4.06Å; H87-L115 WeakPolarHBondContact CE1-CB 3.48Å; L112-L115 HydrophobicContact CB-CD1 4.21Å; L112-L115 HydrophobicContact CD2-CD1 3.89Å; L112-L115 WeakPolarHBondContact O-CB 3.27Å; L112-L115 PolarHBondContact O-N 3.35Å; L115-F117 PolarHBondContact O-N 2.79Å
116	P	60.2	Low	67.3	Low	55 Å²	55	74.1 Å²	74.1	36%	0.357	38%	0.379	S	S	.	.			trans	-53.7	127.1	-179.1	18.5	-29.1	0	0	0	110.7	Y31 H87 A118	Y31-P116 WeakPolarHBondContact OH-CD 3.36Å; Y31-P116 WeakPolarHBondContact OH-CG 3.47Å; H87-P116 PolarHBondContact NE2-O 3.12Å; P116-A118 PolarHBondContact O-N 3.47Å
117	F	49.1	Very low	67.1	Low	195 Å²	195	81.2 Å²	81.2	86%	0.855	41%	0.411	S	S	*	.			trans	-70.6	53.4	168.2	-89.8	-89.9	0	0	0	109.8	L115	L115-F117 PolarHBondContact O-N 2.79Å
118	A	49.2	Very low	67.2	Low	53 Å²	53	87.7 Å²	87.7	44%	0.438	44%	0.442	S	S	.	.			trans	-78.7	127.1	166.6	0	0	0	0	0	107.2	T85 P116 E120	T85-A118 HydrophobicContact CG2-CB 3.72Å; P116-A118 PolarHBondContact O-N 3.47Å; A118-E120 PolarHBondContact O-N 3.08Å
119	Q	44.5	Very low	67.6	Low	197 Å²	197	86.8 Å²	86.8	92%	0.921	43%	0.433	S	S	*	.			trans	-64.2	71	169	-74	174.9	-33.5	0	0	109.6	A121	Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.07Å; Q119-A121 VanDerWaalsContact O-N 3.07Å
120	E	53.3	Low	68.5	Low	35 Å²	35	83.8 Å²	83.8	16%	0.164	42%	0.415	C	S	.	.			trans	-73.9	92.5	159.4	-80.1	-176.3	171.3	0	0	106.1	S83 T85 A118 L122	S83-E120 PolarHBondContact OG-OE2 3.01Å; T85-E120 HydrophobicContact CG2-CG 3.8Å; T85-E120 WeakPolarHBondContact CG2-OE1 3.49Å; T85-E120 PolarHBondContact OG1-OE1 3.46Å; T85-E120 PolarHBondContact OG1-OE2 3.28Å; A118-E120 PolarHBondContact O-N 3.08Å; E120-L122 PolarHBondContact O-N 3.24Å
121	A	53.8	Low	69.3	Low	63 Å²	63	80.4 Å²	80.4	52%	0.521	41%	0.405	S	S	.	.			trans	-73.6	45.6	179.4	0	0	0	0	0	112.2	Q119 H123	Q119-A121 VanDerWaalsContact C-N 3.28Å; Q119-A121 PolarHBondContact O-N 3.07Å; Q119-A121 VanDerWaalsContact O-N 3.07Å; A121-H123 PolarHBondContact O-N 3.14Å
122	L	68.5	Low	70.2	Confident	15 Å²	15	80.4 Å²	80.4	8%	0.079	40%	0.404	C	S	.	.			trans	-67.2	115.2	169	-76.7	-178.4	0	0	0	109.2	W88 F90 E120 F124 L158 P174 E175	W88-L122 HydrophobicContact CD2-CD1 4.12Å; W88-L122 HydrophobicContact CG-CD1 3.91Å; W88-L122 HydrophobicContact CZ2-CB 4Å; F90-L122 HydrophobicContact CZ-CD1 4.26Å; E120-L122 PolarHBondContact O-N 3.24Å; L122-F124 HydrophobicContact CB-CD2 4Å; L122-F124 HydrophobicContact CB-CE2 4.48Å; L122-F124 HydrophobicContact CD1-CD2 4.38Å; L122-F124 HydrophobicContact CD2-CD2 4.36Å; L122-F124 HydrophobicContact CD2-CE2 4.01Å; L122-F124 HydrophobicContact CG-CD2 4.49Å; L122-F124 PolarHBondContact O-N 2.89Å; L122-L158 HydrophobicContact CD1-CD2 3.44Å; L122-L158 VanDerWaalsContact CD1-CD2 3.44Å; L122-L158 HydrophobicContact CD2-CD2 3.99Å; L122-L158 HydrophobicContact CG-CD2 3.93Å; L122-P174 HydrophobicContact CD2-CB 4.25Å; L122-P174 HydrophobicContact CD2-CG 4.01Å; L122-E175 HydrophobicContact CD2-CG 3.77Å
123	H	72.4	Confident	70.9	Confident	171 Å²	171	87.4 Å²	87.4	79%	0.792	44%	0.437	S	S	*	.			trans	-79.9	49.5	178.8	-67.7	-62.7	0	0	0	113.1	A121	A121-H123 PolarHBondContact O-N 3.14Å
124	F	82.5	Confident	71.7	Confident	46 Å²	46	81 Å²	81	20%	0.202	42%	0.418	C	S	.	.			trans	-103.5	155.1	173.3	-64.5	-62.7	0	0	0	112	W88 I100 L122 L132 P174	W88-F124 HydrophobicContact CH2-CB 3.72Å; W88-F124 HydrophobicContact CZ3-CB 3.84Å; I100-F124 HydrophobicContact CD1-CD1 4.41Å; I100-F124 HydrophobicContact CD1-CD2 3.84Å; I100-F124 HydrophobicContact CD1-CE1 4.04Å; I100-F124 HydrophobicContact CD1-CE2 3.42Å; I100-F124 VanDerWaalsContact CD1-CE2 3.42Å; I100-F124 HydrophobicContact CD1-CG 4.33Å; I100-F124 HydrophobicContact CD1-CZ 3.54Å; I100-F124 HydrophobicContact CG2-CD2 4.15Å; L122-F124 HydrophobicContact CB-CD2 4Å; L122-F124 HydrophobicContact CB-CE2 4.48Å; L122-F124 HydrophobicContact CD1-CD2 4.38Å; L122-F124 HydrophobicContact CD2-CD2 4.36Å; L122-F124 HydrophobicContact CD2-CE2 4.01Å; L122-F124 HydrophobicContact CG-CD2 4.49Å; L122-F124 PolarHBondContact O-N 2.89Å; F124-L132 HydrophobicContact CZ-CD2 4.28Å; F124-P174 HydrophobicContact CE2-CB 4.4Å; F124-P174 VanDerWaalsContact CZ-O 3.3Å; F124-P174 WeakPolarHBondContact CZ-O 3.42Å
125	S	81.8	Confident	72.1	Confident	46 Å²	46	85.6 Å²	85.6	32%	0.322	43%	0.43	S	S	.	.			trans	-64	138.1	174	-177.6	0	0	0	0	110.5	E127 E128	S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact OG-N 2.81Å; S125-E128 PolarHBondContact OG-N 3.38Å; S125-E128 VanDerWaalsContact OG-N 3.11Å
126	R	79.5	Confident	72.2	Confident	157 Å²	157	94.9 Å²	94.9	59%	0.592	47%	0.471	S	S	*	.	S	Bend	trans	-84.9	-12.1	171.7	-63.6	-173.7	178.8	179.9	-2.4	113	W88 H102 M105	W88-R126 HydrophobicContact CH2-CG 4.46Å; H102-R126 HydrophobicContact CB-CB 4.2Å; H102-R126 HydrophobicContact CB-CG 4.38Å; M105-R126 WeakPolarHBondContact CG-O 3.46Å
127	E	80	Confident	72.6	Confident	170 Å²	170	94.6 Å²	94.6	79%	0.794	47%	0.47	S	S	*	.	S	Bend	trans	-110.3	-15	-175.3	-63.2	-177.4	178.9	0	0	112.4	M105 S125	M105-E127 VanDerWaalsContact CE-C 3.49Å; M105-E127 WeakPolarHBondContact CE-O 3.39Å; S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact OG-N 2.81Å
128	E	83.9	Confident	73.6	Confident	137 Å²	137	92.7 Å²	92.7	64%	0.64	47%	0.474	S	S	*	.	S	Bend	trans	-125.5	143.4	-177.8	-60.6	-176.5	163.7	0	0	111.2	S125 S130	S125-E128 PolarHBondContact OG-N 3.38Å; S125-E128 VanDerWaalsContact OG-N 3.11Å; E128-S130 PolarHBondContact O-N 2.57Å
129	I	86.1	Confident	75	Confident	44 Å²	44	93.6 Å²	93.6	23%	0.226	47%	0.472	C	S	.	.			trans	-74.6	113.9	175.5	-54	-172.4	0	0	0	108.6	Y67 W69 H99 L101 M105	Y67-I129 HydrophobicContact CD1-CD1 4.21Å; Y67-I129 HydrophobicContact CE1-CD1 3.47Å; Y67-I129 VanDerWaalsContact CE1-CD1 3.47Å; Y67-I129 HydrophobicContact CE2-CD1 3.96Å; Y67-I129 WeakPolarHBondContact OH-CD1 3.44Å; W69-I129 HydrophobicContact CH2-CG2 4.38Å; W69-I129 HydrophobicContact CZ3-CD1 3.94Å; H99-I129 HydrophobicContact CB-CG2 4.09Å; L101-I129 HydrophobicContact CD1-CD1 4.47Å; L101-I129 HydrophobicContact CD1-CG2 3.9Å; L101-I129 HydrophobicContact CD2-CD1 3.73Å; L101-I129 HydrophobicContact CD2-CG1 4.11Å; L101-I129 HydrophobicContact CG-CB 4.5Å; L101-I129 HydrophobicContact CG-CD1 4Å; L101-I129 HydrophobicContact CG-CG1 3.93Å; L101-I129 HydrophobicContact CG-CG2 4.05Å; M105-I129 HydrophobicContact CE-CG1 3.97Å; M105-I129 HydrophobicContact SD-CG1 4.4Å
130	S	89.2	Confident	76.8	Confident	26 Å²	26	90.8 Å²	90.8	18%	0.182	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	150.5	173.1	-58.7	0	0	0	0	109.8	H99 I100 E128	H99-S130 CarbonylContact C-O 3.57Å; H99-S130 WeakPolarHBondContact CA-O 3.21Å; I100-S130 PolarHBondContact N-O 3.37Å; I100-S130 PolarHBondContact O-N 3.22Å; I100-S130 VanDerWaalsContact O-N 3.08Å; E128-S130 PolarHBondContact O-N 2.57Å
131	A	87.5	Confident	78.3	Confident	53 Å²	53	92.9 Å²	92.9	44%	0.438	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.5	179.6	0	0	0	0	0	111.4	I98	I98-A131 WeakPolarHBondContact O-CA 3.3Å
132	L	88.2	Confident	79.8	Confident	5 Å²	5	90.9 Å²	90.9	3%	0.026	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.6	170.1	-50.7	176.6	0	0	0	107.8	D97 I98 I100 F124 G134 L160 V172 P174 S177 R179	D97-L132 WeakPolarHBondContact CA-O 3.29Å; I98-L132 HydrophobicContact CB-CB 4.28Å; I98-L132 HydrophobicContact CB-CD1 4.27Å; I98-L132 HydrophobicContact CG2-CD1 4.5Å; I98-L132 PolarHBondContact N-O 3.19Å; I98-L132 PolarHBondContact O-N 3.41Å; I100-L132 HydrophobicContact CD1-CD1 4.1Å; I100-L132 HydrophobicContact CD1-CD2 4.14Å; I100-L132 HydrophobicContact CD1-CG 3.95Å; F124-L132 HydrophobicContact CZ-CD2 4.28Å; L132-G134 PolarHBondContact O-N 3.03Å; L132-L160 HydrophobicContact CD1-CD1 4.37Å; L132-V172 HydrophobicContact CD1-CG1 4.15Å; L132-P174 HydrophobicContact CD1-CB 4.49Å; L132-P174 WeakPolarHBondContact CD2-O 3.49Å; L132-S177 VanDerWaalsContact CD2-OG 3.26Å; L132-S177 WeakPolarHBondContact CD2-OG 3.39Å; L132-R179 PolarHBondContact O-NH2 2.74Å
133	Q	84.7	Confident	80.9	Confident	156 Å²	156	91.2 Å²	91.2	73%	0.729	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-65.2	134.9	-177.5	-70.8	-173	-0.2	0	0	112	D97 R179	D97-Q133 VanDerWaalsContact OD1-CA 3.3Å; D97-Q133 WeakPolarHBondContact OD1-CA 3.39Å; Q133-R179 VanDerWaalsContact C-NH2 3.28Å; Q133-R179 PolarHBondContact O-NH2 3.37Å; Q133-R179 VanDerWaalsContact O-NH2 3.13Å
134	G	79.4	Confident	81.8	Confident	16 Å²	16	83.2 Å²	83.2	17%	0.165	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-88.4	171.7	177.5	0	0	0	0	0	114.6	D97 L132 K136 R179	D97-G134 PolarHBondContact OD1-N 3.39Å; L132-G134 PolarHBondContact O-N 3.03Å; G134-K136 PolarHBondContact O-N 3Å; G134-R179 VanDerWaalsContact CA-NH2 3.28Å
135	R	73.6	Confident	82.2	Confident	153 Å²	153	82.8 Å²	82.8	58%	0.577	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-69.8	124.3	170.1	-68.6	-178.5	179.1	-177.1	1.3	105.9	E96 S137	E96-R135 PolarHBondContact OE2-N 3.39Å; R135-S137 PolarHBondContact O-N 3.16Å
136	K	68.7	Low	82.5	Confident	200 Å²	200	81 Å²	81	87%	0.87	40%	0.404	S	S	*	.			trans	-69.8	77	172.3	-66.7	-174.6	179	-177.8	0	109.2	G134	G134-K136 PolarHBondContact O-N 3Å
137	S	69.2	Low	83.2	Confident	49 Å²	49	74.4 Å²	74.4	34%	0.343	38%	0.381	S	S	.	.			trans	-92.6	140.6	168.9	-170.6	0	0	0	0	109.5	R135 D139 D142	R135-S137 PolarHBondContact O-N 3.16Å; S137-D139 PolarHBondContact OG-N 3.44Å; S137-D142 VanDerWaalsContact CB-OD2 3.25Å; S137-D142 WeakPolarHBondContact CB-OD2 3.29Å; S137-D142 PolarHBondContact OG-OD2 3.34Å
138	T	68.7	Low	83.6	Confident	154 Å²	154	68 Å²	68	95%	0.945	35%	0.352	S	S	*	.			trans	-101	0.5	173.5	50.5	0	0	0	0	111.6
139	D	80	Confident	83.8	Confident	73 Å²	73	62.2 Å²	62.2	39%	0.39	33%	0.326	S	S	.	.			trans	-77.1	127.2	179.9	-163.8	-20.9	0	0	0	110.5	S137 L141 D142	S137-D139 PolarHBondContact OG-N 3.44Å; D139-L141 PolarHBondContact O-N 3.17Å; D139-L141 PolarHBondContact OD1-N 3.4Å; D139-D142 HydrophobicContact CB-CB 4.49Å; D139-D142 PolarHBondContact O-N 2.91Å
140	F	81.8	Confident	83.7	Confident	138 Å²	138	60.5 Å²	60.5	61%	0.605	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.7	-26.7	176	173.3	-93.5	0	0	0	112.8	D142 V143 K165	F140-D142 VanDerWaalsContact C-N 3.3Å; F140-V143 VanDerWaalsContact O-CG2 3.3Å; F140-V143 WeakPolarHBondContact O-CG2 3.13Å; F140-K165 HydrophobicContact CD1-CD 4.38Å; F140-K165 HydrophobicContact CE1-CD 3.86Å; F140-K165 HydrophobicContact CZ-CD 4.04Å
141	L	85.3	Confident	83.1	Confident	78 Å²	78	62 Å²	62	41%	0.408	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.3	-22.3	177.5	-67	176.4	0	0	0	113	D139 V143 K165 R166	D139-L141 PolarHBondContact O-N 3.17Å; D139-L141 PolarHBondContact OD1-N 3.4Å; L141-V143 PolarHBondContact O-N 3.31Å; L141-K165 CarbonylContact O-C 3.44Å; L141-K165 WeakPolarHBondContact O-CB 3.47Å; L141-K165 PolarHBondContact O-N 3.06Å; L141-R166 HydrophobicContact CB-CB 4.1Å; L141-R166 HydrophobicContact CB-CG 4.39Å; L141-R166 WeakPolarHBondContact O-CB 3.37Å; L141-R166 PolarHBondContact O-N 3.13Å
142	D	85.7	Confident	82.3	Confident	22 Å²	22	59.8 Å²	59.8	12%	0.118	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-81.8	-5.7	-180	-65.8	-20.5	0	0	0	112.3	S137 D139 F140 R166	S137-D142 VanDerWaalsContact CB-OD2 3.25Å; S137-D142 WeakPolarHBondContact CB-OD2 3.29Å; S137-D142 PolarHBondContact OG-OD2 3.34Å; D139-D142 HydrophobicContact CB-CB 4.49Å; D139-D142 PolarHBondContact O-N 2.91Å; F140-D142 VanDerWaalsContact C-N 3.3Å; D142-R166 IonicContact OD1-NH1 3.85Å
143	V	90	Very high	80.9	Confident	21 Å²	21	60.5 Å²	60.5	13%	0.127	31%	0.309	C	S	.	.			trans	-59	126	178.3	177.9	0	0	0	0	110.6	V78 I94 F140 L141 N164 K165	V78-V143 HydrophobicContact CG1-CG1 4.48Å; I94-V143 HydrophobicContact CG2-CG2 4.16Å; F140-V143 VanDerWaalsContact O-CG2 3.3Å; F140-V143 WeakPolarHBondContact O-CG2 3.13Å; L141-V143 PolarHBondContact O-N 3.31Å; V143-N164 WeakPolarHBondContact O-CA 3.34Å; V143-K165 HydrophobicContact CB-CD 4.32Å; V143-K165 PolarHBondContact O-N 3.43Å
144	P	92.7	Very high	79.5	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.019	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.5	178.7	21.6	-24.5	0	0	0	112.4	V78 Q92 S93 Y162 G163	V78-P144 HydrophobicContact CG2-CB 4.38Å; V78-P144 HydrophobicContact CG2-CG 3.77Å; V78-P144 WeakPolarHBondContact CG2-O 3.45Å; Q92-P144 VanDerWaalsContact CD-CG 3.5Å; Q92-P144 HydrophobicContact CG-CB 3.97Å; Q92-P144 HydrophobicContact CG-CG 3.64Å; S93-P144 WeakPolarHBondContact O-CG 3.36Å; P144-Y162 HydrophobicContact CB-CD2 4.01Å; P144-Y162 HydrophobicContact CB-CE2 4.45Å; P144-G163 CarbonylContact C-O 3.6Å; P144-G163 WeakPolarHBondContact CA-O 3.34Å
145	T	90.9	Very high	78.7	Confident	37 Å²	37	62.6 Å²	62.6	23%	0.227	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-31.9	-172.6	53.4	0	0	0	0	113.7	G163 K165 V189	T145-G163 PolarHBondContact N-O 3.46Å; T145-G163 PolarHBondContact OG1-O 2.67Å; T145-K165 HydrophobicContact CG2-CB 4.4Å; T145-K165 HydrophobicContact CG2-CG 3.46Å; T145-K165 VanDerWaalsContact CG2-CG 3.46Å; T145-V189 WeakPolarHBondContact CB-O 3.27Å; T145-V189 PolarHBondContact OG1-O 2.84Å
146	S	88.1	Confident	78.5	Confident	10 Å²	10	60.3 Å²	60.3	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	140	-177.5	60.7	0	0	0	0	110.7	Y162 G163 V189 L192	S146-Y162 WeakPolarHBondContact O-CA 3.4Å; S146-Y162 VanDerWaalsContact O-CB 3.25Å; S146-Y162 WeakPolarHBondContact O-CB 3.33Å; S146-G163 PolarHBondContact O-N 2.97Å; S146-G163 VanDerWaalsContact O-N 3.08Å; S146-V189 WeakPolarHBondContact OG-CG1 3.39Å; S146-L192 WeakPolarHBondContact OG-CG 3.48Å
147	L	93.1	Very high	78.8	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.094	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.3	176.9	-175.6	68.2	0	0	0	109.8	S79 A81 F90 Q92 I98 L160	S79-L147 PolarHBondContact OG-N 2.86Å; A81-L147 HydrophobicContact CB-CB 4.31Å; A81-L147 HydrophobicContact CB-CD2 3.9Å; A81-L147 HydrophobicContact CB-CG 3.88Å; F90-L147 HydrophobicContact CB-CD2 3.71Å; Q92-L147 HydrophobicContact CB-CD2 4.17Å; I98-L147 HydrophobicContact CD1-CD1 4.32Å; L147-L160 HydrophobicContact CD1-CD2 4.47Å
148	L	88.8	Confident	79.4	Confident	36 Å²	36	50.9 Å²	50.9	19%	0.188	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.8	177.8	179.2	70.6	0	0	0	109.4	F150 L160 A161 L192 L204	L148-F150 HydrophobicContact CD2-CD1 3.91Å; L148-F150 HydrophobicContact CD2-CE1 4.33Å; L148-F150 HydrophobicContact CG-CD1 4.07Å; L148-L160 CarbonylContact O-C 3.59Å; L148-L160 WeakPolarHBondContact O-CA 3.17Å; L148-A161 PolarHBondContact N-O 3Å; L148-A161 PolarHBondContact O-N 3.3Å; L148-L192 HydrophobicContact CB-CB 4.17Å; L148-L192 HydrophobicContact CD2-CB 4.24Å; L148-L204 HydrophobicContact CD2-CD1 3.83Å
149	C	88.1	Confident	80.2	Confident	15 Å²	15	43.6 Å²	43.6	10%	0.101	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.6	173.1	-165.8	0	0	0	0	109.6	F82 F90 L158 L160	F82-C149 WeakPolarHBondContact O-CB 3.19Å; F90-C149 HydrophobicContact CD2-CB 4.4Å; F90-C149 HydrophobicContact CE2-CB 4.37Å; C149-L158 WeakPolarHBondContact SG-CD1 3.41Å; C149-L160 HydrophobicContact CB-CD2 3.62Å; C149-L160 VanDerWaalsContact SG-CD2 3.58Å
150	F	83.2	Confident	80.8	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164	-179.1	61.1	-87.1	0	0	0	112	L148 T152 T159 A161 L171 Y194 L204 L218	L148-F150 HydrophobicContact CD2-CD1 3.91Å; L148-F150 HydrophobicContact CD2-CE1 4.33Å; L148-F150 HydrophobicContact CG-CD1 4.07Å; F150-T152 HydrophobicContact CD2-CG2 4.23Å; F150-T152 HydrophobicContact CE2-CG2 3.69Å; F150-T159 HydrophobicContact CE2-CG2 4.44Å; F150-T159 HydrophobicContact CZ-CG2 4.04Å; F150-T159 PolarHBondContact N-O 3.36Å; F150-T159 PolarHBondContact O-N 3.25Å; F150-A161 HydrophobicContact CE1-CB 3.78Å; F150-L171 HydrophobicContact CE1-CD2 4.47Å; F150-L171 HydrophobicContact CZ-CD2 4.07Å; F150-Y194 HydrophobicContact CB-CD1 3.86Å; F150-Y194 HydrophobicContact CB-CD2 4.18Å; F150-Y194 HydrophobicContact CB-CE1 4.44Å; F150-Y194 HydrophobicContact CB-CG 3.72Å; F150-Y194 HydrophobicContact CD1-CD2 4.24Å; F150-Y194 HydrophobicContact CD1-CG 4.29Å; F150-Y194 HydrophobicContact CD2-CD1 4.3Å; F150-Y194 AromaticContact CD2-CD2 3.26Å; F150-Y194 HydrophobicContact CD2-CD2 3.26Å; F150-Y194 HydrophobicContact CD2-CE1 4.43Å; F150-Y194 AromaticContact CD2-CE2 3.41Å; F150-Y194 HydrophobicContact CD2-CE2 3.41Å; F150-Y194 VanDerWaalsContact CD2-CE2 3.41Å; F150-Y194 AromaticContact CD2-CG 3.74Å; F150-Y194 HydrophobicContact CD2-CG 3.74Å; F150-Y194 HydrophobicContact CE1-CD2 4.48Å; F150-Y194 AromaticContact CE2-CD2 3.56Å; F150-Y194 HydrophobicContact CE2-CD2 3.56Å; F150-Y194 AromaticContact CE2-CE2 3.68Å; F150-Y194 HydrophobicContact CE2-CE2 3.68Å; F150-Y194 HydrophobicContact CE2-CG 4.42Å; F150-Y194 HydrophobicContact CG-CD1 4.25Å; F150-Y194 AromaticContact CG-CD2 3.64Å; F150-Y194 HydrophobicContact CG-CD2 3.64Å; F150-Y194 HydrophobicContact CG-CE2 4.21Å; F150-Y194 AromaticContact CG-CG 3.66Å; F150-Y194 HydrophobicContact CG-CG 3.66Å; F150-Y194 HydrophobicContact CZ-CD2 4.18Å; F150-L204 HydrophobicContact CE1-CD1 4.22Å; F150-L218 HydrophobicContact CE2-CD1 3.98Å; F150-L218 HydrophobicContact CZ-CD1 4.1Å
151	L	77.8	Confident	81.2	Confident	58 Å²	58	33.5 Å²	33.5	30%	0.304	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.2	175.2	-64.9	171.6	0	0	0	109.8	P84 N156 L158 Y194	P84-L151 HydrophobicContact CB-CG 4.43Å; P84-L151 HydrophobicContact CG-CG 4.19Å; L151-N156 WeakPolarHBondContact CD2-O 3.41Å; L151-L158 HydrophobicContact CD2-CB 4.36Å; L151-L158 HydrophobicContact CD2-CD1 3.88Å; L151-Y194 PolarHBondContact O-OH 2.79Å
152	T	71.3	Confident	81.5	Confident	7 Å²	7	29.9 Å²	29.9	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	144.2	174.5	53.7	0	0	0	0	111.3	F150 N156 C157 T159 I223	F150-T152 HydrophobicContact CD2-CG2 4.23Å; F150-T152 HydrophobicContact CE2-CG2 3.69Å; T152-N156 WeakPolarHBondContact O-CA 3.5Å; T152-N156 PolarHBondContact O-N 3.24Å; T152-C157 PolarHBondContact N-O 3.17Å; T152-C157 PolarHBondContact O-N 2.96Å; T152-C157 WeakPolarHBondContact OG1-CB 3.31Å; T152-C157 PolarHBondContact OG1-N 2.93Å; T152-C157 PolarHBondContact OG1-O 3.07Å; T152-T159 HydrophobicContact CG2-CG2 4.36Å; T152-T159 WeakPolarHBondContact CG2-OG1 3.44Å; T152-I223 HydrophobicContact CG2-CD1 3.79Å; T152-I223 HydrophobicContact CG2-CG2 4.5Å
153	S	58	Low	81.8	Confident	19 Å²	19	28.8 Å²	28.8	13%	0.133	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	146.4	178	169.8	0	0	0	0	112.3	R196	S153-R196 PolarHBondContact OG-NH2 2.79Å
154	P	54.6	Low	81.9	Confident	89 Å²	89	27.8 Å²	27.8	58%	0.578	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.3	-9.8	4.3	32.7	-34.2	0	0	0	115.4	N156	P154-N156 PolarHBondContact O-N 2.98Å; P154-N156 VanDerWaalsContact O-N 3.15Å
155	N	62.8	Low	81.8	Confident	128 Å²	128	30.7 Å²	30.7	68%	0.684	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.6	-170.2	-66.1	-7.4	0	0	0	114.7	C157	N155-C157 HydrophobicContact CB-CB 4.48Å; N155-C157 PolarHBondContact O-N 3.48Å; N155-C157 VanDerWaalsContact O-N 3.15Å
156	N	68.8	Low	81.7	Confident	104 Å²	104	35.3 Å²	35.3	56%	0.556	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	38.2	-170.6	-70.3	-19.8	0	0	0	112.2	L151 T152 P154 L158	L151-N156 WeakPolarHBondContact CD2-O 3.41Å; T152-N156 WeakPolarHBondContact O-CA 3.5Å; T152-N156 PolarHBondContact O-N 3.24Å; P154-N156 PolarHBondContact O-N 2.98Å; P154-N156 VanDerWaalsContact O-N 3.15Å; N156-L158 PolarHBondContact O-N 3.03Å
157	C	74.8	Confident	81.8	Confident	37 Å²	37	34.9 Å²	34.9	25%	0.25	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.6	179.6	-176.2	0	0	0	0	108.9	T152 N155 T159	T152-C157 PolarHBondContact N-O 3.17Å; T152-C157 PolarHBondContact O-N 2.96Å; T152-C157 WeakPolarHBondContact OG1-CB 3.31Å; T152-C157 PolarHBondContact OG1-N 2.93Å; T152-C157 PolarHBondContact OG1-O 3.07Å; N155-C157 HydrophobicContact CB-CB 4.48Å; N155-C157 PolarHBondContact O-N 3.48Å; N155-C157 VanDerWaalsContact O-N 3.15Å; C157-T159 PolarHBondContact O-N 3.28Å; C157-T159 PolarHBondContact O-OG1 3.11Å
158	L	83.7	Confident	81.7	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	120.7	178	-167.8	73.2	0	0	0	109.4	P84 F90 L122 C149 L151 N156 P174	P84-L158 HydrophobicContact CG-CD1 4.1Å; F90-L158 HydrophobicContact CZ-CD2 4.08Å; L122-L158 HydrophobicContact CD1-CD2 3.44Å; L122-L158 VanDerWaalsContact CD1-CD2 3.44Å; L122-L158 HydrophobicContact CD2-CD2 3.99Å; L122-L158 HydrophobicContact CG-CD2 3.93Å; C149-L158 WeakPolarHBondContact SG-CD1 3.41Å; L151-L158 HydrophobicContact CD2-CB 4.36Å; L151-L158 HydrophobicContact CD2-CD1 3.88Å; N156-L158 PolarHBondContact O-N 3.03Å; L158-P174 HydrophobicContact CB-CG 4.26Å; L158-P174 HydrophobicContact CD2-CG 4.02Å; L158-P174 HydrophobicContact CG-CG 4.25Å; L158-P174 WeakPolarHBondContact O-CD 3.33Å; L158-P174 WeakPolarHBondContact O-CG 3.34Å
159	T	85.6	Confident	81.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.6	-179.1	-57.9	0	0	0	0	109.6	F150 T152 C157 L171 F225	F150-T159 HydrophobicContact CE2-CG2 4.44Å; F150-T159 HydrophobicContact CZ-CG2 4.04Å; F150-T159 PolarHBondContact N-O 3.36Å; F150-T159 PolarHBondContact O-N 3.25Å; T152-T159 HydrophobicContact CG2-CG2 4.36Å; T152-T159 WeakPolarHBondContact CG2-OG1 3.44Å; C157-T159 PolarHBondContact O-N 3.28Å; C157-T159 PolarHBondContact O-OG1 3.11Å; T159-L171 HydrophobicContact CG2-CB 4.24Å; T159-L171 HydrophobicContact CG2-CD2 4.15Å; T159-F225 HydrophobicContact CG2-CZ 4.48Å
160	L	90.7	Very high	81.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	139	170.9	-67.5	166.5	0	0	0	108.8	F90 I98 L132 L147 L148 C149 L171 V172 P174	F90-L160 HydrophobicContact CB-CD2 4.44Å; F90-L160 HydrophobicContact CD1-CD1 3.83Å; F90-L160 HydrophobicContact CD1-CD2 4.01Å; F90-L160 HydrophobicContact CD2-CD2 3.92Å; F90-L160 HydrophobicContact CE1-CD1 3.92Å; F90-L160 HydrophobicContact CE1-CD2 4.23Å; F90-L160 HydrophobicContact CE1-CG 4.5Å; F90-L160 HydrophobicContact CE2-CD2 4.14Å; F90-L160 HydrophobicContact CG-CD1 4.47Å; F90-L160 HydrophobicContact CG-CD2 3.86Å; F90-L160 HydrophobicContact CZ-CD2 4.3Å; I98-L160 HydrophobicContact CD1-CD1 4.23Å; I98-L160 HydrophobicContact CG2-CD1 4.15Å; L132-L160 HydrophobicContact CD1-CD1 4.37Å; L147-L160 HydrophobicContact CD1-CD2 4.47Å; L148-L160 CarbonylContact O-C 3.59Å; L148-L160 WeakPolarHBondContact O-CA 3.17Å; C149-L160 HydrophobicContact CB-CD2 3.62Å; C149-L160 VanDerWaalsContact SG-CD2 3.58Å; L160-L171 CarbonylContact O-C 3.51Å; L160-L171 WeakPolarHBondContact O-CA 3.5Å; L160-V172 HydrophobicContact CB-CB 4.1Å; L160-V172 PolarHBondContact N-O 2.91Å; L160-V172 PolarHBondContact O-N 3.42Å; L160-P174 HydrophobicContact CD1-CB 4.14Å
161	A	90.2	Very high	82	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	167	0	0	0	0	0	109.7	L148 F150 Y170 L171 L192 L204	L148-A161 PolarHBondContact N-O 3Å; L148-A161 PolarHBondContact O-N 3.3Å; F150-A161 HydrophobicContact CE1-CB 3.78Å; A161-Y170 CarbonylContact C-O 3.12Å; A161-Y170 WeakPolarHBondContact CA-O 3.37Å; A161-L171 HydrophobicContact CB-CD2 3.74Å; A161-L192 HydrophobicContact CB-CD1 4.19Å; A161-L204 HydrophobicContact CB-CD1 4.28Å; A161-L204 HydrophobicContact CB-CD2 4.24Å
162	Y	93.3	Very high	82.5	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.4	170	74.9	-93.1	0	0	0	111.9	Q92 I98 P144 S146 V169 Y170 V172 R179	Q92-Y162 VanDerWaalsContact NE2-CD2 3.27Å; I98-Y162 HydrophobicContact CD1-CD1 4.32Å; P144-Y162 HydrophobicContact CB-CD2 4.01Å; P144-Y162 HydrophobicContact CB-CE2 4.45Å; S146-Y162 WeakPolarHBondContact O-CA 3.4Å; S146-Y162 VanDerWaalsContact O-CB 3.25Å; S146-Y162 WeakPolarHBondContact O-CB 3.33Å; Y162-V169 WeakPolarHBondContact O-CA 3.23Å; Y162-Y170 HydrophobicContact CD2-CD2 4.1Å; Y162-Y170 HydrophobicContact CE1-CD2 4.36Å; Y162-Y170 HydrophobicContact CE1-CG 4.05Å; Y162-Y170 AromaticContact CE2-CD2 3.46Å; Y162-Y170 HydrophobicContact CE2-CD2 3.46Å; Y162-Y170 VanDerWaalsContact CE2-CD2 3.46Å; Y162-Y170 HydrophobicContact CE2-CE2 4.07Å; Y162-Y170 AromaticContact CE2-CG 4Å; Y162-Y170 HydrophobicContact CE2-CG 4Å; Y162-Y170 AromaticContact CZ-CD2 3.62Å; Y162-Y170 AromaticContact CZ-CG 3.65Å; Y162-Y170 PolarHBondContact N-O 2.89Å; Y162-Y170 PolarHBondContact O-N 3.28Å; Y162-V172 HydrophobicContact CD1-CG2 3.81Å; Y162-V172 HydrophobicContact CE1-CG2 3.53Å; Y162-R179 PolarHBondContact OH-NH1 2.6Å
163	G	92	Very high	83.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	155	174.6	0	0	0	0	0	110.5	P144 T145 S146 D168	P144-G163 CarbonylContact C-O 3.6Å; P144-G163 WeakPolarHBondContact CA-O 3.34Å; T145-G163 PolarHBondContact N-O 3.46Å; T145-G163 PolarHBondContact OG1-O 2.67Å; S146-G163 PolarHBondContact O-N 2.97Å; S146-G163 VanDerWaalsContact O-N 3.08Å; G163-D168 VanDerWaalsContact CA-O 3.32Å; G163-D168 WeakPolarHBondContact CA-O 3.35Å
164	N	92.3	Very high	84.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	175.7	174.4	71.6	10.5	0	0	0	112.6	V143 R166 G167 D168 V189	V143-N164 WeakPolarHBondContact O-CA 3.34Å; N164-R166 PolarHBondContact O-N 3.31Å; N164-R166 WeakPolarHBondContact OD1-CA 3.43Å; N164-R166 VanDerWaalsContact OD1-CB 3.26Å; N164-R166 WeakPolarHBondContact OD1-CB 3.35Å; N164-R166 PolarHBondContact OD1-N 2.96Å; N164-R166 VanDerWaalsContact OD1-N 3.09Å; N164-G167 PolarHBondContact O-N 3.29Å; N164-G167 PolarHBondContact OD1-N 3.45Å; N164-D168 PolarHBondContact N-O 3.38Å; N164-D168 PolarHBondContact ND2-OD2 3.32Å; N164-D168 PolarHBondContact OD1-N 3.04Å; N164-D168 PolarHBondContact OD1-O 2.93Å; N164-V189 PolarHBondContact O-N 3.08Å; N164-V189 VanDerWaalsContact O-N 3.13Å
165	K	90.6	Very high	85.6	Confident	64 Å²	64	29.5 Å²	29.5	28%	0.278	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25	176.5	-73	-175.3	-176.4	169.2	0	113.8	F140 L141 V143 T145 G167 S188	F140-K165 HydrophobicContact CD1-CD 4.38Å; F140-K165 HydrophobicContact CE1-CD 3.86Å; F140-K165 HydrophobicContact CZ-CD 4.04Å; L141-K165 CarbonylContact O-C 3.44Å; L141-K165 WeakPolarHBondContact O-CB 3.47Å; L141-K165 PolarHBondContact O-N 3.06Å; V143-K165 HydrophobicContact CB-CD 4.32Å; V143-K165 PolarHBondContact O-N 3.43Å; T145-K165 HydrophobicContact CG2-CB 4.4Å; T145-K165 HydrophobicContact CG2-CG 3.46Å; T145-K165 VanDerWaalsContact CG2-CG 3.46Å; K165-G167 PolarHBondContact O-N 2.94Å; K165-S188 WeakPolarHBondContact CA-OG 3.46Å; K165-S188 VanDerWaalsContact O-CA 3.26Å; K165-S188 WeakPolarHBondContact O-CA 3.39Å; K165-S188 WeakPolarHBondContact O-CB 3.45Å
166	R	88.9	Confident	86.2	Confident	134 Å²	134	26.2 Å²	26.2	51%	0.506	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.9	175.2	-160.8	171.8	-171.8	165.8	2.3	112.4	L141 D142 N164 D168	L141-R166 HydrophobicContact CB-CB 4.1Å; L141-R166 HydrophobicContact CB-CG 4.39Å; L141-R166 WeakPolarHBondContact O-CB 3.37Å; L141-R166 PolarHBondContact O-N 3.13Å; D142-R166 IonicContact OD1-NH1 3.85Å; N164-R166 PolarHBondContact O-N 3.31Å; N164-R166 WeakPolarHBondContact OD1-CA 3.43Å; N164-R166 VanDerWaalsContact OD1-CB 3.26Å; N164-R166 WeakPolarHBondContact OD1-CB 3.35Å; N164-R166 PolarHBondContact OD1-N 2.96Å; N164-R166 VanDerWaalsContact OD1-N 3.09Å; R166-D168 WeakPolarHBondContact CD-OD2 3.46Å
167	G	88.4	Confident	86.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	102.2	3.3	-174.4	0	0	0	0	0	113.7	N164 K165 S184 I185 E187	N164-G167 PolarHBondContact O-N 3.29Å; N164-G167 PolarHBondContact OD1-N 3.45Å; K165-G167 PolarHBondContact O-N 2.94Å; G167-S184 CarbonylContact O-C 3.46Å; G167-S184 WeakPolarHBondContact O-CA 3.41Å; G167-I185 WeakPolarHBondContact CA-O 3.36Å; G167-I185 WeakPolarHBondContact O-CG1 3.36Å; G167-I185 PolarHBondContact O-N 2.73Å; G167-E187 WeakPolarHBondContact CA-O 3.34Å
168	D	90.9	Very high	87	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.032	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.5	175.8	-51.2	-37.6	0	0	0	110.4	G163 N164 R166 Y170 M181 C183 S184	G163-D168 VanDerWaalsContact CA-O 3.32Å; G163-D168 WeakPolarHBondContact CA-O 3.35Å; N164-D168 PolarHBondContact N-O 3.38Å; N164-D168 PolarHBondContact ND2-OD2 3.32Å; N164-D168 PolarHBondContact OD1-N 3.04Å; N164-D168 PolarHBondContact OD1-O 2.93Å; R166-D168 WeakPolarHBondContact CD-OD2 3.46Å; D168-Y170 HydrophobicContact CB-CD2 4.35Å; D168-Y170 HydrophobicContact CB-CE2 3.61Å; D168-M181 HydrophobicContact CB-CE 3.8Å; D168-M181 HydrophobicContact CB-CG 4.25Å; D168-M181 HydrophobicContact CB-SD 4.24Å; D168-C183 WeakPolarHBondContact CA-O 3.36Å; D168-S184 WeakPolarHBondContact OD1-CB 3.45Å; D168-S184 PolarHBondContact OD1-OG 2.68Å
169	V	90.2	Very high	87	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.2	175.3	-175.6	0	0	0	0	108.8	Y162 I182 C183 V189 L192 L204 V206	Y162-V169 WeakPolarHBondContact O-CA 3.23Å; V169-I182 HydrophobicContact CB-CD1 4.48Å; V169-I182 HydrophobicContact CB-CG1 4.15Å; V169-I182 HydrophobicContact CG1-CD1 3.92Å; V169-I182 HydrophobicContact CG1-CG1 4.04Å; V169-I182 VanDerWaalsContact O-CG1 3.23Å; V169-I182 WeakPolarHBondContact O-CG1 3.24Å; V169-I182 PolarHBondContact O-N 3.47Å; V169-C183 PolarHBondContact N-O 3.13Å; V169-V189 HydrophobicContact CG2-CG2 3.92Å; V169-L192 HydrophobicContact CG1-CD1 4.38Å; V169-L192 HydrophobicContact CG1-CD2 4.06Å; V169-L192 HydrophobicContact CG2-CD2 4.32Å; V169-L204 HydrophobicContact CG1-CD2 3.66Å; V169-V206 HydrophobicContact CG2-CG1 3.99Å; V169-V206 HydrophobicContact CG2-CG2 4.02Å
170	Y	89.4	Confident	86.8	Confident	8 Å²	8	26 Å²	26	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.7	-178.6	-65	-95.1	0	0	0	110.7	A161 Y162 D168 C180 M181	A161-Y170 CarbonylContact C-O 3.12Å; A161-Y170 WeakPolarHBondContact CA-O 3.37Å; Y162-Y170 HydrophobicContact CD2-CD2 4.1Å; Y162-Y170 HydrophobicContact CE1-CD2 4.36Å; Y162-Y170 HydrophobicContact CE1-CG 4.05Å; Y162-Y170 AromaticContact CE2-CD2 3.46Å; Y162-Y170 HydrophobicContact CE2-CD2 3.46Å; Y162-Y170 VanDerWaalsContact CE2-CD2 3.46Å; Y162-Y170 HydrophobicContact CE2-CE2 4.07Å; Y162-Y170 AromaticContact CE2-CG 4Å; Y162-Y170 HydrophobicContact CE2-CG 4Å; Y162-Y170 AromaticContact CZ-CD2 3.62Å; Y162-Y170 AromaticContact CZ-CG 3.65Å; Y162-Y170 PolarHBondContact N-O 2.89Å; Y162-Y170 PolarHBondContact O-N 3.28Å; D168-Y170 HydrophobicContact CB-CD2 4.35Å; D168-Y170 HydrophobicContact CB-CE2 3.61Å; Y170-C180 CarbonylContact C-O 3.55Å; Y170-C180 VanDerWaalsContact CA-O 3.25Å; Y170-C180 WeakPolarHBondContact CA-O 3.34Å; Y170-M181 HydrophobicContact CD1-CB 3.86Å; Y170-M181 HydrophobicContact CE1-CB 3.64Å; Y170-M181 HydrophobicContact CE1-CE 4.02Å; Y170-M181 HydrophobicContact CE1-CG 4.19Å; Y170-M181 HydrophobicContact CE2-CE 4.43Å; Y170-M181 WeakPolarHBondContact OH-CE 3.38Å
171	L	88.4	Confident	86.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.9	160.5	-61.9	-177.7	0	0	0	109.2	F150 T159 L160 A161 R179 C180 I182 L218	F150-L171 HydrophobicContact CE1-CD2 4.47Å; F150-L171 HydrophobicContact CZ-CD2 4.07Å; T159-L171 HydrophobicContact CG2-CB 4.24Å; T159-L171 HydrophobicContact CG2-CD2 4.15Å; L160-L171 CarbonylContact O-C 3.51Å; L160-L171 WeakPolarHBondContact O-CA 3.5Å; A161-L171 HydrophobicContact CB-CD2 3.74Å; L171-R179 CarbonylContact O-C 3.57Å; L171-R179 WeakPolarHBondContact O-CA 3.29Å; L171-C180 PolarHBondContact N-O 2.99Å; L171-C180 PolarHBondContact O-N 3.03Å; L171-I182 HydrophobicContact CB-CG2 4.4Å; L171-I182 HydrophobicContact CD1-CD1 4.22Å; L171-I182 HydrophobicContact CD1-CG2 3.7Å; L171-I182 HydrophobicContact CD2-CD1 4.05Å; L171-I182 HydrophobicContact CG-CD1 3.84Å; L171-I182 HydrophobicContact CG-CG1 4.25Å; L171-I182 HydrophobicContact CG-CG2 3.74Å; L171-L218 HydrophobicContact CD1-CD2 4.05Å
172	V	88	Confident	86.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126	178.3	-176.6	0	0	0	0	108.5	I98 L132 L160 Y162 P174 V178 R179	I98-V172 HydrophobicContact CD1-CG2 4.34Å; L132-V172 HydrophobicContact CD1-CG1 4.15Å; L160-V172 HydrophobicContact CB-CB 4.1Å; L160-V172 PolarHBondContact N-O 2.91Å; L160-V172 PolarHBondContact O-N 3.42Å; Y162-V172 HydrophobicContact CD1-CG2 3.81Å; Y162-V172 HydrophobicContact CE1-CG2 3.53Å; V172-P174 WeakPolarHBondContact O-CD 3.36Å; V172-V178 WeakPolarHBondContact CA-O 3.05Å; V172-R179 HydrophobicContact CB-CG 4.47Å; V172-R179 HydrophobicContact CG1-CG 4.06Å; V172-R179 HydrophobicContact CG2-CB 4.17Å; V172-R179 HydrophobicContact CG2-CG 3.8Å
173	N	84.6	Confident	85.8	Confident	14 Å²	14	29.1 Å²	29.1	8%	0.075	15%	0.147	C	C	.	.			trans	-81.6	117.9	164.7	-176.2	-31.2	0	0	0	108	E175 S176 S177 V178 F225	N173-E175 VanDerWaalsContact C-N 3.32Å; N173-E175 PolarHBondContact O-N 3.02Å; N173-E175 PolarHBondContact OD1-N 3.44Å; N173-S176 VanDerWaalsContact CB-OG 3.28Å; N173-S176 WeakPolarHBondContact CB-OG 3.47Å; N173-S176 PolarHBondContact OD1-N 3.37Å; N173-S177 WeakPolarHBondContact O-CA 3.23Å; N173-S177 PolarHBondContact O-N 3.47Å; N173-V178 PolarHBondContact N-O 3.49Å; N173-F225 HydrophobicContact CB-CD1 3.78Å; N173-F225 HydrophobicContact CB-CD2 4.03Å; N173-F225 HydrophobicContact CB-CE1 3.6Å; N173-F225 HydrophobicContact CB-CE2 3.84Å; N173-F225 HydrophobicContact CB-CG 4.01Å; N173-F225 HydrophobicContact CB-CZ 3.63Å; N173-F225 WeakPolarHBondContact ND2-CD2 3.09Å
174	P	83.6	Confident	85.5	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.9	179.9	24.1	-30.1	0	0	0	112.1	L122 F124 L132 L158 L160 V172	L122-P174 HydrophobicContact CD2-CB 4.25Å; L122-P174 HydrophobicContact CD2-CG 4.01Å; F124-P174 HydrophobicContact CE2-CB 4.4Å; F124-P174 VanDerWaalsContact CZ-O 3.3Å; F124-P174 WeakPolarHBondContact CZ-O 3.42Å; L132-P174 HydrophobicContact CD1-CB 4.49Å; L132-P174 WeakPolarHBondContact CD2-O 3.49Å; L158-P174 HydrophobicContact CB-CG 4.26Å; L158-P174 HydrophobicContact CD2-CG 4.02Å; L158-P174 HydrophobicContact CG-CG 4.25Å; L158-P174 WeakPolarHBondContact O-CD 3.33Å; L158-P174 WeakPolarHBondContact O-CG 3.34Å; L160-P174 HydrophobicContact CD1-CB 4.14Å; V172-P174 WeakPolarHBondContact O-CD 3.36Å
175	E	79.6	Confident	85.2	Confident	107 Å²	107	32.3 Å²	32.3	50%	0.5	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-47.4	-177.5	-66	-176.7	169.8	0	0	113	L122 N173 S177	L122-E175 HydrophobicContact CD2-CG 3.77Å; N173-E175 VanDerWaalsContact C-N 3.32Å; N173-E175 PolarHBondContact O-N 3.02Å; N173-E175 PolarHBondContact OD1-N 3.44Å; E175-S177 VanDerWaalsContact C-N 3.35Å
176	S	77.1	Confident	84.7	Confident	58 Å²	58	39.6 Å²	39.6	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.4	-177.8	69.6	0	0	0	0	113.7	N173 V178	N173-S176 VanDerWaalsContact CB-OG 3.28Å; N173-S176 WeakPolarHBondContact CB-OG 3.47Å; N173-S176 PolarHBondContact OD1-N 3.37Å; S176-V178 PolarHBondContact O-N 2.92Å; S176-V178 WeakPolarHBondContact OG-CB 3.41Å; S176-V178 WeakPolarHBondContact OG-CG2 3.36Å; S176-V178 PolarHBondContact OG-N 3.48Å
177	S	78.9	Confident	84.6	Confident	61 Å²	61	34 Å²	34	43%	0.427	18%	0.18	S	C	.	.			trans	57.7	9.6	-171.3	-53.1	0	0	0	0	114.7	L132 N173 E175 R179	L132-S177 VanDerWaalsContact CD2-OG 3.26Å; L132-S177 WeakPolarHBondContact CD2-OG 3.39Å; N173-S177 WeakPolarHBondContact O-CA 3.23Å; N173-S177 PolarHBondContact O-N 3.47Å; E175-S177 VanDerWaalsContact C-N 3.35Å; S177-R179 PolarHBondContact O-N 3.02Å
178	V	80.2	Confident	84.6	Confident	42 Å²	42	35.5 Å²	35.5	26%	0.255	19%	0.191	S	C	.	.			trans	-72.3	127.8	-179.7	175.6	0	0	0	0	109.3	V172 N173 S176 F225	V172-V178 WeakPolarHBondContact CA-O 3.05Å; N173-V178 PolarHBondContact N-O 3.49Å; S176-V178 PolarHBondContact O-N 2.92Å; S176-V178 WeakPolarHBondContact OG-CB 3.41Å; S176-V178 WeakPolarHBondContact OG-CG2 3.36Å; S176-V178 PolarHBondContact OG-N 3.48Å; V178-F225 HydrophobicContact CB-CD1 4.21Å; V178-F225 HydrophobicContact CG1-CD1 4.13Å
179	R	84	Confident	84.5	Confident	31 Å²	31	35.3 Å²	35.3	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125	179	-51.7	-173.7	178.5	-158.3	-5	110.1	E96 L132 Q133 G134 Y162 L171 V172 S177	E96-R179 VanDerWaalsContact O-CZ 3.24Å; E96-R179 PolarHBondContact O-NH1 3.4Å; E96-R179 PolarHBondContact O-NH2 3.47Å; E96-R179 IonicContact OE2-NH1 2.67Å; L132-R179 PolarHBondContact O-NH2 2.74Å; Q133-R179 VanDerWaalsContact C-NH2 3.28Å; Q133-R179 PolarHBondContact O-NH2 3.37Å; Q133-R179 VanDerWaalsContact O-NH2 3.13Å; G134-R179 VanDerWaalsContact CA-NH2 3.28Å; Y162-R179 PolarHBondContact OH-NH1 2.6Å; L171-R179 CarbonylContact O-C 3.57Å; L171-R179 WeakPolarHBondContact O-CA 3.29Å; V172-R179 HydrophobicContact CB-CG 4.47Å; V172-R179 HydrophobicContact CG1-CG 4.06Å; V172-R179 HydrophobicContact CG2-CB 4.17Å; V172-R179 HydrophobicContact CG2-CG 3.8Å; S177-R179 PolarHBondContact O-N 3.02Å
180	C	82.5	Confident	84.1	Confident	17 Å²	17	43.7 Å²	43.7	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.3	179.5	-154	0	0	0	0	111.8	Y170 L171 I182 F230	Y170-C180 CarbonylContact C-O 3.55Å; Y170-C180 VanDerWaalsContact CA-O 3.25Å; Y170-C180 WeakPolarHBondContact CA-O 3.34Å; L171-C180 PolarHBondContact N-O 2.99Å; L171-C180 PolarHBondContact O-N 3.03Å; C180-I182 PolarHBondContact O-N 2.76Å; C180-F230 HydrophobicContact CB-CD2 3.76Å; C180-F230 HydrophobicContact CB-CE2 4.26Å; C180-F230 HydrophobicContact CB-CG 4.32Å; C180-F230 WeakPolarHBondContact SG-CB 3.23Å; C180-F230 WeakPolarHBondContact SG-CD2 3.31Å
181	M	84.7	Confident	83.7	Confident	66 Å²	66	50 Å²	50	33%	0.325	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.4	172.3	-173.7	-168.3	-73.7	0	0	108.7	D168 Y170	D168-M181 HydrophobicContact CB-CE 3.8Å; D168-M181 HydrophobicContact CB-CG 4.25Å; D168-M181 HydrophobicContact CB-SD 4.24Å; Y170-M181 HydrophobicContact CD1-CB 3.86Å; Y170-M181 HydrophobicContact CE1-CB 3.64Å; Y170-M181 HydrophobicContact CE1-CE 4.02Å; Y170-M181 HydrophobicContact CE1-CG 4.19Å; Y170-M181 HydrophobicContact CE2-CE 4.43Å; Y170-M181 WeakPolarHBondContact OH-CE 3.38Å
182	I	84.1	Confident	83.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-33.5	-177	51.5	163	0	0	0	113	V169 L171 C180 L204 I216 F230 Q233	V169-I182 HydrophobicContact CB-CD1 4.48Å; V169-I182 HydrophobicContact CB-CG1 4.15Å; V169-I182 HydrophobicContact CG1-CD1 3.92Å; V169-I182 HydrophobicContact CG1-CG1 4.04Å; V169-I182 VanDerWaalsContact O-CG1 3.23Å; V169-I182 WeakPolarHBondContact O-CG1 3.24Å; V169-I182 PolarHBondContact O-N 3.47Å; L171-I182 HydrophobicContact CB-CG2 4.4Å; L171-I182 HydrophobicContact CD1-CD1 4.22Å; L171-I182 HydrophobicContact CD1-CG2 3.7Å; L171-I182 HydrophobicContact CD2-CD1 4.05Å; L171-I182 HydrophobicContact CG-CD1 3.84Å; L171-I182 HydrophobicContact CG-CG1 4.25Å; L171-I182 HydrophobicContact CG-CG2 3.74Å; C180-I182 PolarHBondContact O-N 2.76Å; I182-L204 HydrophobicContact CD1-CD2 3.87Å; I182-I216 HydrophobicContact CD1-CD1 4.08Å; I182-I216 HydrophobicContact CD1-CG2 4.28Å; I182-F230 HydrophobicContact CG2-CD1 4.46Å; I182-Q233 PolarHBondContact O-N 2.94Å; I182-Q233 VanDerWaalsContact O-N 3.13Å
183	C	83.7	Confident	83.1	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.4	176.4	81.5	0	0	0	0	111.1	D168 V169 I216 C235	D168-C183 WeakPolarHBondContact CA-O 3.36Å; V169-C183 PolarHBondContact N-O 3.13Å; C183-I216 HydrophobicContact CB-CD1 4.13Å; C183-I216 WeakPolarHBondContact SG-CD1 3.18Å; C183-C235 HydrophobicContact CB-CB 4.17Å
184	S	86.3	Confident	82.7	Confident	61 Å²	61	55.1 Å²	55.1	43%	0.427	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.2	169.6	-173.1	0	0	0	0	108.4	G167 D168	G167-S184 CarbonylContact O-C 3.46Å; G167-S184 WeakPolarHBondContact O-CA 3.41Å; D168-S184 WeakPolarHBondContact OD1-CB 3.45Å; D168-S184 PolarHBondContact OD1-OG 2.68Å
185	I	84.8	Confident	81.7	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	27%	0.271	C	S	.	.			trans	-89	153.2	171.9	58.3	159.2	0	0	0	109.3	G167 E187 V189 V206 W214 C235	G167-I185 WeakPolarHBondContact CA-O 3.36Å; G167-I185 WeakPolarHBondContact O-CG1 3.36Å; G167-I185 PolarHBondContact O-N 2.73Å; I185-E187 HydrophobicContact CD1-CG 3.82Å; I185-E187 WeakPolarHBondContact CD1-O 3.48Å; I185-E187 WeakPolarHBondContact CG1-O 3.18Å; I185-E187 PolarHBondContact O-N 2.83Å; I185-V189 HydrophobicContact CD1-CG2 4.08Å; I185-V189 HydrophobicContact CG1-CG2 4.2Å; I185-V206 HydrophobicContact CD1-CG1 3.71Å; I185-V206 HydrophobicContact CG1-CG1 4.37Å; I185-V206 HydrophobicContact CG2-CG1 4.49Å; I185-W214 HydrophobicContact CB-CD2 4.21Å; I185-W214 HydrophobicContact CB-CE3 4.23Å; I185-W214 HydrophobicContact CB-CH2 4.37Å; I185-W214 HydrophobicContact CB-CZ2 4.34Å; I185-W214 HydrophobicContact CB-CZ3 4.31Å; I185-W214 HydrophobicContact CD1-CE3 3.81Å; I185-W214 HydrophobicContact CD1-CH2 4.2Å; I185-W214 HydrophobicContact CD1-CZ3 3.57Å; I185-W214 HydrophobicContact CG2-CB 4.34Å; I185-W214 HydrophobicContact CG2-CD2 3.57Å; I185-W214 HydrophobicContact CG2-CE3 3.83Å; I185-W214 HydrophobicContact CG2-CG 3.79Å; I185-W214 HydrophobicContact CG2-CZ3 4.41Å; I185-C235 VanDerWaalsContact CG2-SG 3.58Å
186	K	81.4	Confident	80.8	Confident	217 Å²	217	55 Å²	55	94%	0.943	26%	0.264	S	S	*	.	S	Bend	trans	-81.1	29.8	-177.7	-64.7	-175.3	179	178.2	0	113.5
187	E	85.2	Confident	79.6	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.075	25%	0.248	C	C	.	.	S	Bend	trans	-157.3	162.2	175.3	63	168.3	172.2	0	0	112.2	G167 I185 V189 G208 S209 L210 W214	G167-E187 WeakPolarHBondContact CA-O 3.34Å; I185-E187 HydrophobicContact CD1-CG 3.82Å; I185-E187 WeakPolarHBondContact CD1-O 3.48Å; I185-E187 WeakPolarHBondContact CG1-O 3.18Å; I185-E187 PolarHBondContact O-N 2.83Å; E187-V189 PolarHBondContact O-N 2.83Å; E187-G208 VanDerWaalsContact CD-CA 3.42Å; E187-G208 WeakPolarHBondContact OE1-CA 3.47Å; E187-S209 PolarHBondContact OE2-N 2.88Å; E187-S209 PolarHBondContact OE2-OG 2.74Å; E187-L210 WeakPolarHBondContact OE2-CA 3.44Å; E187-L210 WeakPolarHBondContact OE2-CB 3.16Å; E187-L210 WeakPolarHBondContact OE2-CG 3.39Å; E187-L210 PolarHBondContact OE2-N 3.41Å; E187-W214 HydrophobicContact CG-CH2 3.58Å; E187-W214 HydrophobicContact CG-CZ3 3.93Å; E187-W214 WeakPolarHBondContact OE1-CH2 3.17Å; E187-W214 WeakPolarHBondContact OE1-CZ3 3.18Å
188	S	88.6	Confident	77.9	Confident	32 Å²	32	52.2 Å²	52.2	22%	0.224	24%	0.243	C	C	.	.			trans	-59.4	130.2	178.1	176.1	0	0	0	0	110.8	K165 R190 G208 S209	K165-S188 WeakPolarHBondContact CA-OG 3.46Å; K165-S188 VanDerWaalsContact O-CA 3.26Å; K165-S188 WeakPolarHBondContact O-CA 3.39Å; K165-S188 WeakPolarHBondContact O-CB 3.45Å; S188-R190 PolarHBondContact O-N 2.91Å; S188-G208 CarbonylContact O-C 3.57Å; S188-G208 VanDerWaalsContact O-CA 3.24Å; S188-G208 WeakPolarHBondContact O-CA 3.24Å; S188-S209 PolarHBondContact O-N 2.94Å
189	V	88.7	Confident	76.4	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.1	173	-175.1	0	0	0	0	108.5	T145 S146 N164 V169 I185 E187 L192 V206	T145-V189 WeakPolarHBondContact CB-O 3.27Å; T145-V189 PolarHBondContact OG1-O 2.84Å; S146-V189 WeakPolarHBondContact OG-CG1 3.39Å; N164-V189 PolarHBondContact O-N 3.08Å; N164-V189 VanDerWaalsContact O-N 3.13Å; V169-V189 HydrophobicContact CG2-CG2 3.92Å; I185-V189 HydrophobicContact CD1-CG2 4.08Å; I185-V189 HydrophobicContact CG1-CG2 4.2Å; E187-V189 PolarHBondContact O-N 2.83Å; V189-L192 HydrophobicContact CG1-CD2 4Å; V189-L192 HydrophobicContact CG1-CG 3.99Å; V189-V206 HydrophobicContact CG1-CG1 3.91Å; V189-V206 HydrophobicContact CG2-CG1 4.13Å
190	R	83.1	Confident	75.1	Confident	176 Å²	176	58 Å²	58	66%	0.664	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	-39.7	178	-179.2	178.8	177.5	169.2	-1	111.8	S188 T207	S188-R190 PolarHBondContact O-N 2.91Å; R190-T207 WeakPolarHBondContact CA-O 2.89Å; R190-T207 WeakPolarHBondContact CB-O 3.49Å; R190-T207 PolarHBondContact N-O 3.33Å
191	R	80.4	Confident	74	Confident	140 Å²	140	60.7 Å²	60.7	53%	0.528	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	142.9	-176.8	-173.1	173	175	154.6	-3.7	110.3	E193 T207	R191-E193 HydrophobicContact CG-CG 4.26Å; R191-E193 IonicContact CZ-OE1 2.8Å; R191-E193 IonicContact NE-OE1 3.75Å; R191-E193 PolarHBondContact NE-OE1 3.42Å; R191-E193 IonicContact NH2-OE1 3.98Å; R191-E193 PolarHBondContact NH2-OE1 2.92Å; R191-T207 PolarHBondContact N-O 3.08Å; R191-T207 VanDerWaalsContact N-O 3.08Å; R191-T207 PolarHBondContact O-N 3.24Å
192	L	84.1	Confident	73.3	Confident	11 Å²	11	57.9 Å²	57.9	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.8	173	-69.7	172.9	0	0	0	109.1	S146 L148 A161 V169 V189 L204 L205 V206	S146-L192 WeakPolarHBondContact OG-CG 3.48Å; L148-L192 HydrophobicContact CB-CB 4.17Å; L148-L192 HydrophobicContact CD2-CB 4.24Å; A161-L192 HydrophobicContact CB-CD1 4.19Å; V169-L192 HydrophobicContact CG1-CD1 4.38Å; V169-L192 HydrophobicContact CG1-CD2 4.06Å; V169-L192 HydrophobicContact CG2-CD2 4.32Å; V189-L192 HydrophobicContact CG1-CD2 4Å; V189-L192 HydrophobicContact CG1-CG 3.99Å; L192-L204 HydrophobicContact CD2-CD2 4.13Å; L192-L204 HydrophobicContact CD2-CG 4.35Å; L192-L205 WeakPolarHBondContact CA-O 3.47Å; L192-V206 HydrophobicContact CD2-CB 4.17Å; L192-V206 HydrophobicContact CD2-CG1 3.97Å; L192-V206 HydrophobicContact CD2-CG2 3.74Å
193	E	79	Confident	72.7	Confident	60 Å²	60	60.4 Å²	60.4	28%	0.28	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.2	174.8	-59.3	-174.6	148.2	0	0	110.1	R191 L205	R191-E193 HydrophobicContact CG-CG 4.26Å; R191-E193 IonicContact CZ-OE1 2.8Å; R191-E193 IonicContact NE-OE1 3.75Å; R191-E193 PolarHBondContact NE-OE1 3.42Å; R191-E193 IonicContact NH2-OE1 3.98Å; R191-E193 PolarHBondContact NH2-OE1 2.92Å; E193-L205 HydrophobicContact CB-CB 4.25Å; E193-L205 PolarHBondContact N-O 2.55Å; E193-L205 PolarHBondContact O-N 3.06Å
194	Y	76.5	Confident	72.5	Confident	52 Å²	52	60.4 Å²	60.4	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.1	176.6	171.4	-99.9	0	0	0	108.6	F150 L151 S202 L218	F150-Y194 HydrophobicContact CB-CD1 3.86Å; F150-Y194 HydrophobicContact CB-CD2 4.18Å; F150-Y194 HydrophobicContact CB-CE1 4.44Å; F150-Y194 HydrophobicContact CB-CG 3.72Å; F150-Y194 HydrophobicContact CD1-CD2 4.24Å; F150-Y194 HydrophobicContact CD1-CG 4.29Å; F150-Y194 HydrophobicContact CD2-CD1 4.3Å; F150-Y194 AromaticContact CD2-CD2 3.26Å; F150-Y194 HydrophobicContact CD2-CD2 3.26Å; F150-Y194 HydrophobicContact CD2-CE1 4.43Å; F150-Y194 AromaticContact CD2-CE2 3.41Å; F150-Y194 HydrophobicContact CD2-CE2 3.41Å; F150-Y194 VanDerWaalsContact CD2-CE2 3.41Å; F150-Y194 AromaticContact CD2-CG 3.74Å; F150-Y194 HydrophobicContact CD2-CG 3.74Å; F150-Y194 HydrophobicContact CE1-CD2 4.48Å; F150-Y194 AromaticContact CE2-CD2 3.56Å; F150-Y194 HydrophobicContact CE2-CD2 3.56Å; F150-Y194 AromaticContact CE2-CE2 3.68Å; F150-Y194 HydrophobicContact CE2-CE2 3.68Å; F150-Y194 HydrophobicContact CE2-CG 4.42Å; F150-Y194 HydrophobicContact CG-CD1 4.25Å; F150-Y194 AromaticContact CG-CD2 3.64Å; F150-Y194 HydrophobicContact CG-CD2 3.64Å; F150-Y194 HydrophobicContact CG-CE2 4.21Å; F150-Y194 AromaticContact CG-CG 3.66Å; F150-Y194 HydrophobicContact CG-CG 3.66Å; F150-Y194 HydrophobicContact CZ-CD2 4.18Å; L151-Y194 PolarHBondContact O-OH 2.79Å; Y194-S202 PolarHBondContact OH-OG 3.16Å; Y194-L218 HydrophobicContact CD2-CD1 4.04Å; Y194-L218 HydrophobicContact CE2-CD1 3.96Å
195	A	63.6	Low	72.1	Confident	12 Å²	12	58.2 Å²	58.2	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.3	177.8	0	0	0	0	0	110.1	Y203 I245	A195-Y203 PolarHBondContact N-O 3.45Å; A195-Y203 PolarHBondContact O-N 3.36Å; A195-Y203 VanDerWaalsContact O-O 3.09Å; A195-I245 HydrophobicContact CB-CD1 3.85Å; A195-I245 HydrophobicContact CB-CG2 4.4Å
196	R	59.8	Low	72	Confident	93 Å²	93	57.9 Å²	57.9	35%	0.351	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.8	178.6	-165	173.5	179.8	177.2	-8.5	110.1	S153 H201 S252	S153-R196 PolarHBondContact OG-NH2 2.79Å; R196-H201 CarbonylContact C-O 3.53Å; R196-H201 WeakPolarHBondContact CA-O 2.98Å; R196-S252 PolarHBondContact O-OG 3.43Å
197	D	51.9	Low	71.9	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.064	23%	0.229	C	C	.	.			trans	-82.7	164	172.2	84.6	3.2	0	0	0	111.5	L199 S200 H201 Y203 W254	D197-L199 PolarHBondContact O-N 3.3Å; D197-L199 VanDerWaalsContact OD1-CA 3.25Å; D197-L199 WeakPolarHBondContact OD1-CA 3.26Å; D197-L199 WeakPolarHBondContact OD1-CB 3.38Å; D197-L199 PolarHBondContact OD1-N 3.18Å; D197-S200 PolarHBondContact O-N 3.48Å; D197-S200 PolarHBondContact OD1-N 3.1Å; D197-H201 PolarHBondContact N-O 3.47Å; D197-H201 WeakPolarHBondContact OD1-CA 3.15Å; D197-H201 IonicContact OD1-CG 2.76Å; D197-H201 PolarHBondContact OD1-N 2.81Å; D197-H201 IonicContact OD1-ND1 3.27Å; D197-H201 PolarHBondContact OD1-ND1 2.9Å; D197-H201 WeakPolarHBondContact OD2-CB 3.45Å; D197-H201 IonicContact OD2-CG 3.84Å; D197-H201 IonicContact OD2-ND1 2.75Å; D197-H201 PolarHBondContact OD2-ND1 3.5Å; D197-Y203 HydrophobicContact CB-CE2 3.88Å; D197-W254 HydrophobicContact CB-CZ2 4.18Å
198	P	43.1	Very low	71.6	Confident	49 Å²	49	47.7 Å²	47.7	32%	0.318	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.5	177.5	-26.9	42.7	0	0	0	113.9	S200 T269	P198-S200 PolarHBondContact O-N 3.15Å; P198-T269 WeakPolarHBondContact CB-O 3.36Å; P198-T269 HydrophobicContact CG-CG2 3.7Å; P198-T269 WeakPolarHBondContact CG-O 3.49Å
199	L	49.2	Very low	71.1	Confident	128 Å²	128	49 Å²	49	67%	0.67	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	8.7	172.4	-62.9	172.6	0	0	0	112.3	D197 H201	D197-L199 PolarHBondContact O-N 3.3Å; D197-L199 VanDerWaalsContact OD1-CA 3.25Å; D197-L199 WeakPolarHBondContact OD1-CA 3.26Å; D197-L199 WeakPolarHBondContact OD1-CB 3.38Å; D197-L199 PolarHBondContact OD1-N 3.18Å; L199-H201 VanDerWaalsContact C-N 3.3Å; L199-H201 PolarHBondContact O-N 2.97Å
200	S	57.1	Low	70.3	Confident	66 Å²	66	56.4 Å²	56.4	46%	0.462	27%	0.273	S	S	.	.	S	Bend	trans	69	11.1	-177.7	-59.7	0	0	0	0	116.8	D197 P198	D197-S200 PolarHBondContact O-N 3.48Å; D197-S200 PolarHBondContact OD1-N 3.1Å; P198-S200 PolarHBondContact O-N 3.15Å
201	H	59.6	Low	69.3	Low	75 Å²	75	50 Å²	50	35%	0.347	26%	0.262	S	S	.	.			trans	-70.4	131	165.8	-53.6	88.4	0	0	0	109.7	R196 D197 L199 Y203	R196-H201 CarbonylContact C-O 3.53Å; R196-H201 WeakPolarHBondContact CA-O 2.98Å; D197-H201 PolarHBondContact N-O 3.47Å; D197-H201 WeakPolarHBondContact OD1-CA 3.15Å; D197-H201 IonicContact OD1-CG 2.76Å; D197-H201 PolarHBondContact OD1-N 2.81Å; D197-H201 IonicContact OD1-ND1 3.27Å; D197-H201 PolarHBondContact OD1-ND1 2.9Å; D197-H201 WeakPolarHBondContact OD2-CB 3.45Å; D197-H201 IonicContact OD2-CG 3.84Å; D197-H201 IonicContact OD2-ND1 2.75Å; D197-H201 PolarHBondContact OD2-ND1 3.5Å; L199-H201 VanDerWaalsContact C-N 3.3Å; L199-H201 PolarHBondContact O-N 2.97Å; H201-Y203 HydrophobicContact CB-CE2 3.69Å
202	S	69.9	Low	68.7	Low	7 Å²	7	45.4 Å²	45.4	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144.4	176.2	-66.4	0	0	0	0	109.2	Y194 L218	Y194-S202 PolarHBondContact OH-OG 3.16Å; S202-L218 WeakPolarHBondContact O-CA 3.47Å; S202-L218 WeakPolarHBondContact O-CB 3.27Å; S202-L218 PolarHBondContact O-N 3.44Å
203	Y	71.8	Confident	68.1	Low	54 Å²	54	47.5 Å²	47.5	21%	0.212	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140	178.3	-62.8	-89.3	0	0	0	109.8	A195 D197 H201 I216	A195-Y203 PolarHBondContact N-O 3.45Å; A195-Y203 PolarHBondContact O-N 3.36Å; A195-Y203 VanDerWaalsContact O-O 3.09Å; D197-Y203 HydrophobicContact CB-CE2 3.88Å; H201-Y203 HydrophobicContact CB-CE2 3.69Å; Y203-I216 CarbonylContact C-O 3.56Å; Y203-I216 VanDerWaalsContact CA-O 3.25Å; Y203-I216 WeakPolarHBondContact CA-O 3.44Å
204	L	79.3	Confident	67.9	Low	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.4	164.9	-167.1	73.2	0	0	0	108.2	L148 F150 A161 V169 I182 L192 I216 L218	L148-L204 HydrophobicContact CD2-CD1 3.83Å; F150-L204 HydrophobicContact CE1-CD1 4.22Å; A161-L204 HydrophobicContact CB-CD1 4.28Å; A161-L204 HydrophobicContact CB-CD2 4.24Å; V169-L204 HydrophobicContact CG1-CD2 3.66Å; I182-L204 HydrophobicContact CD1-CD2 3.87Å; L192-L204 HydrophobicContact CD2-CD2 4.13Å; L192-L204 HydrophobicContact CD2-CG 4.35Å; L204-I216 HydrophobicContact CB-CB 4.25Å; L204-I216 HydrophobicContact CB-CD1 4.46Å; L204-I216 HydrophobicContact CD2-CD1 4.22Å; L204-I216 PolarHBondContact N-O 3.27Å; L204-I216 PolarHBondContact O-N 3.12Å; L204-L218 HydrophobicContact CB-CD1 4.26Å; L204-L218 HydrophobicContact CB-CG 4.47Å
205	L	77.6	Confident	67.7	Low	15 Å²	15	45.2 Å²	45.2	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.4	172.3	-175.2	73.4	0	0	0	108.8	L192 E193 Q213 W214 T215 L238	L192-L205 WeakPolarHBondContact CA-O 3.47Å; E193-L205 HydrophobicContact CB-CB 4.25Å; E193-L205 PolarHBondContact N-O 2.55Å; E193-L205 PolarHBondContact O-N 3.06Å; L205-Q213 HydrophobicContact CD1-CB 4.2Å; L205-W214 WeakPolarHBondContact CA-O 3.47Å; L205-T215 HydrophobicContact CD1-CG2 3.94Å; L205-L238 HydrophobicContact CD1-CD1 3.73Å
206	V	82.3	Confident	68.3	Low	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.1	177.3	-170.5	0	0	0	0	108	V169 I185 V189 L192 Q213 W214 I216	V169-V206 HydrophobicContact CG2-CG1 3.99Å; V169-V206 HydrophobicContact CG2-CG2 4.02Å; I185-V206 HydrophobicContact CD1-CG1 3.71Å; I185-V206 HydrophobicContact CG1-CG1 4.37Å; I185-V206 HydrophobicContact CG2-CG1 4.49Å; V189-V206 HydrophobicContact CG1-CG1 3.91Å; V189-V206 HydrophobicContact CG2-CG1 4.13Å; L192-V206 HydrophobicContact CD2-CB 4.17Å; L192-V206 HydrophobicContact CD2-CG1 3.97Å; L192-V206 HydrophobicContact CD2-CG2 3.74Å; V206-Q213 CarbonylContact O-C 3.59Å; V206-Q213 VanDerWaalsContact O-CA 3.29Å; V206-Q213 WeakPolarHBondContact O-CA 3.41Å; V206-W214 HydrophobicContact CB-CB 4.45Å; V206-W214 PolarHBondContact N-O 3.41Å; V206-W214 PolarHBondContact O-N 3.45Å; V206-I216 HydrophobicContact CG2-CD1 3.44Å; V206-I216 VanDerWaalsContact CG2-CD1 3.44Å; V206-I216 HydrophobicContact CG2-CG1 4.3Å
207	T	79.5	Confident	68.9	Low	18 Å²	18	42 Å²	42	11%	0.11	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.1	170.7	-53.6	0	0	0	0	108.5	R190 R191 A212 Q213	R190-T207 WeakPolarHBondContact CA-O 2.89Å; R190-T207 WeakPolarHBondContact CB-O 3.49Å; R190-T207 PolarHBondContact N-O 3.33Å; R191-T207 PolarHBondContact N-O 3.08Å; R191-T207 VanDerWaalsContact N-O 3.08Å; R191-T207 PolarHBondContact O-N 3.24Å; T207-A212 WeakPolarHBondContact CA-O 3.37Å; T207-Q213 HydrophobicContact CG2-CG 4.17Å; T207-Q213 PolarHBondContact OG1-NE2 3.02Å
208	G	78.6	Confident	69.8	Low	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	179.4	176.7	0	0	0	0	0	113.7	E187 S188 L210 G211 A212	E187-G208 VanDerWaalsContact CD-CA 3.42Å; E187-G208 WeakPolarHBondContact OE1-CA 3.47Å; S188-G208 CarbonylContact O-C 3.57Å; S188-G208 VanDerWaalsContact O-CA 3.24Å; S188-G208 WeakPolarHBondContact O-CA 3.24Å; G208-L210 VanDerWaalsContact C-N 3.32Å; G208-L210 PolarHBondContact O-N 3.37Å; G208-G211 PolarHBondContact O-N 3.01Å; G208-A212 PolarHBondContact N-O 3.31Å
209	S	77.1	Confident	70.6	Confident	59 Å²	59	44.7 Å²	44.7	41%	0.413	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.6	-172.7	50.5	0	0	0	0	114.8	E187 S188 G211	E187-S209 PolarHBondContact OE2-N 2.88Å; E187-S209 PolarHBondContact OE2-OG 2.74Å; S188-S209 PolarHBondContact O-N 2.94Å; S209-G211 PolarHBondContact O-N 3.16Å
210	L	72.5	Confident	70.6	Confident	157 Å²	157	42.4 Å²	42.4	82%	0.822	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.5	177.5	-58.4	170	0	0	0	112	E187 G208 A212	E187-L210 WeakPolarHBondContact OE2-CA 3.44Å; E187-L210 WeakPolarHBondContact OE2-CB 3.16Å; E187-L210 WeakPolarHBondContact OE2-CG 3.39Å; E187-L210 PolarHBondContact OE2-N 3.41Å; G208-L210 VanDerWaalsContact C-N 3.32Å; G208-L210 PolarHBondContact O-N 3.37Å; L210-A212 VanDerWaalsContact C-N 3.35Å
211	G	62.4	Low	69.9	Low	43 Å²	43	43.7 Å²	43.7	44%	0.443	26%	0.258	S	S	.	.	S	Bend	trans	86.6	0	179.4	0	0	0	0	0	114.5	G208 S209	G208-G211 PolarHBondContact O-N 3.01Å; S209-G211 PolarHBondContact O-N 3.16Å
212	A	67	Low	69.1	Low	43 Å²	43	42.2 Å²	42.2	36%	0.355	26%	0.256	S	S	.	.			trans	-65.7	150.3	171.5	0	0	0	0	0	110.4	T207 G208 L210 W214	T207-A212 WeakPolarHBondContact CA-O 3.37Å; G208-A212 PolarHBondContact N-O 3.31Å; L210-A212 VanDerWaalsContact C-N 3.35Å; A212-W214 HydrophobicContact CB-CH2 3.49Å; A212-W214 VanDerWaalsContact CB-CH2 3.49Å; A212-W214 HydrophobicContact CB-CZ2 4.11Å; A212-W214 HydrophobicContact CB-CZ3 3.81Å; A212-W214 VanDerWaalsContact O-CZ3 3.24Å; A212-W214 WeakPolarHBondContact O-CZ3 3.34Å
213	Q	71.5	Confident	68.1	Low	54 Å²	54	43 Å²	43	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.8	-175.6	-65.8	-170.4	-30.7	0	0	111.4	L205 V206 T207 L238	L205-Q213 HydrophobicContact CD1-CB 4.2Å; V206-Q213 CarbonylContact O-C 3.59Å; V206-Q213 VanDerWaalsContact O-CA 3.29Å; V206-Q213 WeakPolarHBondContact O-CA 3.41Å; T207-Q213 HydrophobicContact CG2-CG 4.17Å; T207-Q213 PolarHBondContact OG1-NE2 3.02Å; Q213-L238 HydrophobicContact CB-CD1 3.98Å; Q213-L238 PolarHBondContact O-N 3.44Å
214	W	76.1	Confident	66.9	Low	39 Å²	39	47 Å²	47	15%	0.148	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.4	175.2	-63	-100.2	0	0	0	110.4	I185 E187 L205 V206 A212 C235 V236 P237	I185-W214 HydrophobicContact CB-CD2 4.21Å; I185-W214 HydrophobicContact CB-CE3 4.23Å; I185-W214 HydrophobicContact CB-CH2 4.37Å; I185-W214 HydrophobicContact CB-CZ2 4.34Å; I185-W214 HydrophobicContact CB-CZ3 4.31Å; I185-W214 HydrophobicContact CD1-CE3 3.81Å; I185-W214 HydrophobicContact CD1-CH2 4.2Å; I185-W214 HydrophobicContact CD1-CZ3 3.57Å; I185-W214 HydrophobicContact CG2-CB 4.34Å; I185-W214 HydrophobicContact CG2-CD2 3.57Å; I185-W214 HydrophobicContact CG2-CE3 3.83Å; I185-W214 HydrophobicContact CG2-CG 3.79Å; I185-W214 HydrophobicContact CG2-CZ3 4.41Å; E187-W214 HydrophobicContact CG-CH2 3.58Å; E187-W214 HydrophobicContact CG-CZ3 3.93Å; E187-W214 WeakPolarHBondContact OE1-CH2 3.17Å; E187-W214 WeakPolarHBondContact OE1-CZ3 3.18Å; L205-W214 WeakPolarHBondContact CA-O 3.47Å; V206-W214 HydrophobicContact CB-CB 4.45Å; V206-W214 PolarHBondContact N-O 3.41Å; V206-W214 PolarHBondContact O-N 3.45Å; A212-W214 HydrophobicContact CB-CH2 3.49Å; A212-W214 VanDerWaalsContact CB-CH2 3.49Å; A212-W214 HydrophobicContact CB-CZ2 4.11Å; A212-W214 HydrophobicContact CB-CZ3 3.81Å; A212-W214 VanDerWaalsContact O-CZ3 3.24Å; A212-W214 WeakPolarHBondContact O-CZ3 3.34Å; W214-C235 WeakPolarHBondContact CB-SG 3.46Å; W214-C235 VanDerWaalsContact CG-SG 3.5Å; W214-V236 WeakPolarHBondContact CA-O 3.22Å; W214-P237 VanDerWaalsContact CD1-CA 3.41Å
215	T	72.7	Confident	65.5	Low	26 Å²	26	48.8 Å²	48.8	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	170.6	52	0	0	0	0	110.2	L205 V236 L238	L205-T215 HydrophobicContact CD1-CG2 3.94Å; T215-V236 PolarHBondContact N-O 3.43Å; T215-V236 PolarHBondContact O-N 3.35Å; T215-V236 VanDerWaalsContact O-N 3.16Å; T215-L238 HydrophobicContact CG2-CD1 3.79Å; T215-L238 HydrophobicContact CG2-CD2 3.86Å; T215-L238 HydrophobicContact CG2-CG 3.85Å
216	I	76.4	Confident	64	Low	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.4	175.6	-57.5	160.6	0	0	0	107.5	I182 C183 Y203 L204 V206 L218 Q233	I182-I216 HydrophobicContact CD1-CD1 4.08Å; I182-I216 HydrophobicContact CD1-CG2 4.28Å; C183-I216 HydrophobicContact CB-CD1 4.13Å; C183-I216 WeakPolarHBondContact SG-CD1 3.18Å; Y203-I216 CarbonylContact C-O 3.56Å; Y203-I216 VanDerWaalsContact CA-O 3.25Å; Y203-I216 WeakPolarHBondContact CA-O 3.44Å; L204-I216 HydrophobicContact CB-CB 4.25Å; L204-I216 HydrophobicContact CB-CD1 4.46Å; L204-I216 HydrophobicContact CD2-CD1 4.22Å; L204-I216 PolarHBondContact N-O 3.27Å; L204-I216 PolarHBondContact O-N 3.12Å; V206-I216 HydrophobicContact CG2-CD1 3.44Å; V206-I216 VanDerWaalsContact CG2-CD1 3.44Å; V206-I216 HydrophobicContact CG2-CG1 4.3Å; I216-L218 PolarHBondContact O-N 3.42Å; I216-Q233 HydrophobicContact CG2-CB 4.1Å
217	S	71.9	Confident	61.9	Low	37 Å²	37	60.5 Å²	60.5	26%	0.259	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.1	178.9	-172	0	0	0	0	111.1	Q219 Q233	S217-Q219 PolarHBondContact O-N 2.96Å; S217-Q233 PolarHBondContact O-NE2 2.71Å; S217-Q233 PolarHBondContact O-OE1 3.2Å
218	L	70	Confident	59.9	Low	5 Å²	5	66.6 Å²	66.6	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	81.4	174.1	-59.4	171.1	0	0	0	108.9	F150 L171 Y194 S202 L204 I216 S220 I223	F150-L218 HydrophobicContact CE2-CD1 3.98Å; F150-L218 HydrophobicContact CZ-CD1 4.1Å; L171-L218 HydrophobicContact CD1-CD2 4.05Å; Y194-L218 HydrophobicContact CD2-CD1 4.04Å; Y194-L218 HydrophobicContact CE2-CD1 3.96Å; S202-L218 WeakPolarHBondContact O-CA 3.47Å; S202-L218 WeakPolarHBondContact O-CB 3.27Å; S202-L218 PolarHBondContact O-N 3.44Å; L204-L218 HydrophobicContact CB-CD1 4.26Å; L204-L218 HydrophobicContact CB-CG 4.47Å; I216-L218 PolarHBondContact O-N 3.42Å; L218-S220 PolarHBondContact O-N 3.11Å; L218-I223 HydrophobicContact CB-CD1 4.4Å
219	Q	59.5	Low	57.7	Low	112 Å²	112	71.4 Å²	71.4	52%	0.523	42%	0.415	S	S	.	.			trans	-68.3	128.1	175.9	-70.8	-170.3	-12.4	0	0	111.4	S217 S221 S222	S217-Q219 PolarHBondContact O-N 2.96Å; Q219-S221 VanDerWaalsContact C-N 3.25Å; Q219-S221 PolarHBondContact O-N 2.94Å; Q219-S221 VanDerWaalsContact O-N 3.13Å; Q219-S222 PolarHBondContact O-N 2.98Å; Q219-S222 VanDerWaalsContact O-N 3.11Å; Q219-S222 PolarHBondContact O-OG 3.01Å
220	S	49	Very low	56.2	Low	81 Å²	81	70 Å²	70	57%	0.566	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.3	-171.3	56.1	0	0	0	0	115.6	L218 S222	L218-S220 PolarHBondContact O-N 3.11Å; S220-S222 VanDerWaalsContact C-N 3.34Å
221	S	42.1	Very low	54.9	Low	93 Å²	93	73.3 Å²	73.3	65%	0.65	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.8	179.8	54.2	0	0	0	0	114.2	Q219	Q219-S221 VanDerWaalsContact C-N 3.25Å; Q219-S221 PolarHBondContact O-N 2.94Å; Q219-S221 VanDerWaalsContact O-N 3.13Å
222	S	43.2	Very low	54.1	Low	43 Å²	43	77.4 Å²	77.4	30%	0.301	41%	0.414	S	S	.	.	S	Bend	trans	-101	-10.4	-173.1	60.3	0	0	0	0	114.8	Q219 S220 Q224 F230	Q219-S222 PolarHBondContact O-N 2.98Å; Q219-S222 VanDerWaalsContact O-N 3.11Å; Q219-S222 PolarHBondContact O-OG 3.01Å; S220-S222 VanDerWaalsContact C-N 3.34Å; S222-Q224 PolarHBondContact O-N 3.42Å; S222-Q224 VanDerWaalsContact O-N 3.15Å; S222-F230 WeakPolarHBondContact O-CE1 3.29Å; S222-F230 WeakPolarHBondContact O-CZ 3.1Å
223	I	49.3	Very low	53.7	Low	23 Å²	23	77.1 Å²	77.1	12%	0.118	41%	0.405	C	S	.	.			trans	-91.4	56.7	177.6	-44.7	174.6	0	0	0	109.6	T152 L218 F225 F230	T152-I223 HydrophobicContact CG2-CD1 3.79Å; T152-I223 HydrophobicContact CG2-CG2 4.5Å; L218-I223 HydrophobicContact CB-CD1 4.4Å; I223-F225 HydrophobicContact CG2-CD2 4.21Å; I223-F225 HydrophobicContact CG2-CE2 3.59Å; I223-F225 HydrophobicContact CG2-CZ 4.12Å; I223-F230 HydrophobicContact CB-CE1 4.49Å; I223-F230 HydrophobicContact CB-CZ 4.35Å; I223-F230 HydrophobicContact CG1-CE1 4.18Å; I223-F230 HydrophobicContact CG1-CZ 4.49Å; I223-F230 HydrophobicContact CG2-CZ 4.16Å
224	Q	47.5	Very low	52.9	Low	138 Å²	138	82.9 Å²	82.9	65%	0.645	43%	0.432	S	S	*	.			trans	-105.6	108.1	162.4	-74.1	-171.7	-19.7	0	0	107.2	S222 E226	S222-Q224 PolarHBondContact O-N 3.42Å; S222-Q224 VanDerWaalsContact O-N 3.15Å; Q224-E226 PolarHBondContact O-N 3.39Å
225	F	49.1	Very low	52.3	Low	38 Å²	38	82.6 Å²	82.6	17%	0.167	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	14	-177.5	-75.1	-83	0	0	0	114.4	T159 N173 V178 I223 F230	T159-F225 HydrophobicContact CG2-CZ 4.48Å; N173-F225 HydrophobicContact CB-CD1 3.78Å; N173-F225 HydrophobicContact CB-CD2 4.03Å; N173-F225 HydrophobicContact CB-CE1 3.6Å; N173-F225 HydrophobicContact CB-CE2 3.84Å; N173-F225 HydrophobicContact CB-CG 4.01Å; N173-F225 HydrophobicContact CB-CZ 3.63Å; N173-F225 WeakPolarHBondContact ND2-CD2 3.09Å; V178-F225 HydrophobicContact CB-CD1 4.21Å; V178-F225 HydrophobicContact CG1-CD1 4.13Å; I223-F225 HydrophobicContact CG2-CD2 4.21Å; I223-F225 HydrophobicContact CG2-CE2 3.59Å; I223-F225 HydrophobicContact CG2-CZ 4.12Å; F225-F230 HydrophobicContact CD1-CE2 4.33Å; F225-F230 HydrophobicContact CE1-CE2 4.33Å
226	E	45.4	Very low	51.8	Low	183 Å²	183	85 Å²	85	86%	0.855	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.5	-172.4	-72	-171.4	162.3	0	0	115	Q224	Q224-E226 PolarHBondContact O-N 3.39Å
227	S	39.3	Very low	51	Low	78 Å²	78	88.9 Å²	88.9	55%	0.545	48%	0.476	S	S	.	.	S	Bend	trans	-147.1	140	169.6	64.6	0	0	0	0	111.2	C229	S227-C229 PolarHBondContact O-N 3.44Å
228	D	37.2	Very low	50.2	Low	146 Å²	146	89.2 Å²	89.2	78%	0.781	47%	0.474	S	S	*	.	S	Bend	trans	-61.8	23.3	-178.1	-79.6	-37.6	0	0	0	115.3
229	C	33.5	Very low	49.1	Very low	101 Å²	101	92.8 Å²	92.8	68%	0.682	50%	0.497	S	S	*	.			trans	-123.3	60.6	-171.2	-62.4	0	0	0	0	111.7	S227 R231	S227-C229 PolarHBondContact O-N 3.44Å; C229-R231 PolarHBondContact O-N 3.48Å
230	F	45.3	Very low	48.2	Very low	30 Å²	30	94.6 Å²	94.6	13%	0.132	52%	0.516	C	S	.	.			trans	-66.9	129.5	155.1	-80	-104.5	0	0	0	107.8	C180 I182 S222 I223 F225	C180-F230 HydrophobicContact CB-CD2 3.76Å; C180-F230 HydrophobicContact CB-CE2 4.26Å; C180-F230 HydrophobicContact CB-CG 4.32Å; C180-F230 WeakPolarHBondContact SG-CB 3.23Å; C180-F230 WeakPolarHBondContact SG-CD2 3.31Å; I182-F230 HydrophobicContact CG2-CD1 4.46Å; S222-F230 WeakPolarHBondContact O-CE1 3.29Å; S222-F230 WeakPolarHBondContact O-CZ 3.1Å; I223-F230 HydrophobicContact CB-CE1 4.49Å; I223-F230 HydrophobicContact CB-CZ 4.35Å; I223-F230 HydrophobicContact CG1-CE1 4.18Å; I223-F230 HydrophobicContact CG1-CZ 4.49Å; I223-F230 HydrophobicContact CG2-CZ 4.16Å; F225-F230 HydrophobicContact CD1-CE2 4.33Å; F225-F230 HydrophobicContact CE1-CE2 4.33Å
231	R	44.8	Very low	47.7	Very low	227 Å²	227	93.2 Å²	93.2	86%	0.857	50%	0.504	S	S	*	.			trans	-69.8	132.7	165.9	-74.5	-176.2	179.2	177.6	0.2	108.2	C229 Q233	C229-R231 PolarHBondContact O-N 3.48Å; R231-Q233 PolarHBondContact O-N 3.03Å
232	L	45.9	Very low	47.7	Very low	129 Å²	129	89.3 Å²	89.3	68%	0.675	48%	0.479	S	S	*	.			trans	-44.1	115.6	163.3	-107.1	148.8	0	0	0	108.5
233	Q	58.6	Low	47.5	Very low	37 Å²	37	88.5 Å²	88.5	17%	0.173	48%	0.475	C	S	.	.			trans	-81.6	143.3	178.5	-73	-179.3	-10.6	0	0	109.1	I182 I216 S217 R231 C235	I182-Q233 PolarHBondContact O-N 2.94Å; I182-Q233 VanDerWaalsContact O-N 3.13Å; I216-Q233 HydrophobicContact CG2-CB 4.1Å; S217-Q233 PolarHBondContact O-NE2 2.71Å; S217-Q233 PolarHBondContact O-OE1 3.2Å; R231-Q233 PolarHBondContact O-N 3.03Å; Q233-C235 PolarHBondContact O-N 2.8Å
234	E	53.6	Low	47.2	Very low	175 Å²	175	91.2 Å²	91.2	82%	0.818	49%	0.486	S	S	*	.			trans	-62.4	112.4	172.2	-81.6	-172	166.1	0	0	109.1	V236	E234-V236 PolarHBondContact O-N 3.21Å
235	C	63.2	Low	46.6	Very low	32 Å²	32	86.9 Å²	86.9	22%	0.216	47%	0.467	C	S	.	.			trans	-76.9	102.6	172.2	-164.1	0	0	0	0	107.1	C183 I185 W214 Q233 P237	C183-C235 HydrophobicContact CB-CB 4.17Å; I185-C235 VanDerWaalsContact CG2-SG 3.58Å; W214-C235 WeakPolarHBondContact CB-SG 3.46Å; W214-C235 VanDerWaalsContact CG-SG 3.5Å; Q233-C235 PolarHBondContact O-N 2.8Å; C235-P237 WeakPolarHBondContact O-CD 3.27Å
236	V	64.1	Low	46.2	Very low	77 Å²	77	85.6 Å²	85.6	47%	0.467	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113.8	-179.4	-175	0	0	0	0	107.8	W214 T215 E234 L238	W214-V236 WeakPolarHBondContact CA-O 3.22Å; T215-V236 PolarHBondContact N-O 3.43Å; T215-V236 PolarHBondContact O-N 3.35Å; T215-V236 VanDerWaalsContact O-N 3.16Å; E234-V236 PolarHBondContact O-N 3.21Å; V236-L238 PolarHBondContact O-N 3.35Å
237	P	58.6	Low	45.7	Very low	82 Å²	82	80.9 Å²	80.9	53%	0.532	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	125.8	170.2	26.5	-31.3	0	0	0	107.9	W214 C235	W214-P237 VanDerWaalsContact CD1-CA 3.41Å; C235-P237 WeakPolarHBondContact O-CD 3.27Å
238	L	56.2	Low	45.6	Very low	44 Å²	44	79.3 Å²	79.3	23%	0.23	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-65.8	130.2	168	-72.8	171.4	0	0	0	106.9	L205 Q213 T215 V236 V240	L205-L238 HydrophobicContact CD1-CD1 3.73Å; Q213-L238 HydrophobicContact CB-CD1 3.98Å; Q213-L238 PolarHBondContact O-N 3.44Å; T215-L238 HydrophobicContact CG2-CD1 3.79Å; T215-L238 HydrophobicContact CG2-CD2 3.86Å; T215-L238 HydrophobicContact CG2-CG 3.85Å; V236-L238 PolarHBondContact O-N 3.35Å; L238-V240 PolarHBondContact O-N 3.21Å
239	P	44.8	Very low	45.6	Very low	79 Å²	79	80.8 Å²	80.8	51%	0.513	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-56.3	138.4	173	24.3	-31.5	0	0	0	108	T241	P239-T241 CarbonylContact O-C 3.59Å; P239-T241 PolarHBondContact O-N 3.3Å
240	V	42.2	Very low	45.6	Very low	151 Å²	151	79.6 Å²	79.6	92%	0.915	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-13.2	-177.9	-175.6	0	0	0	0	111.9	L238 G242	L238-V240 PolarHBondContact O-N 3.21Å; V240-G242 VanDerWaalsContact C-N 3.34Å; V240-G242 PolarHBondContact O-N 3.32Å; V240-G242 VanDerWaalsContact O-N 3.11Å
241	T	38.9	Very low	45.2	Very low	51 Å²	51	80.3 Å²	80.3	31%	0.313	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	69.4	173.5	63.8	0	0	0	0	111.7	P239 A243 T259	P239-T241 CarbonylContact O-C 3.59Å; P239-T241 PolarHBondContact O-N 3.3Å; T241-A243 PolarHBondContact O-N 3.01Å; T241-T259 WeakPolarHBondContact CB-OG1 3.19Å; T241-T259 HydrophobicContact CG2-CG2 3.75Å; T241-T259 WeakPolarHBondContact CG2-OG1 3.27Å
242	G	41.7	Very low	45	Very low	12 Å²	12	70 Å²	70	12%	0.124	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	35.9	136.9	0	0	0	0	0	121.5	V240 M257	V240-G242 VanDerWaalsContact C-N 3.34Å; V240-G242 PolarHBondContact O-N 3.32Å; V240-G242 VanDerWaalsContact O-N 3.11Å; G242-M257 WeakPolarHBondContact O-CB 3.29Å; G242-M257 PolarHBondContact O-N 3.47Å
243	A	37.9	Very low	44.7	Very low	26 Å²	26	65 Å²	65	22%	0.215	39%	0.393	C	S	.	.			trans	-86	120.8	164.8	0	0	0	0	0	110.7	T241	T241-A243 PolarHBondContact O-N 3.01Å
244	F	42.7	Very low	43.8	Very low	80 Å²	80	66 Å²	66	35%	0.351	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.1	178	-60.2	-81.2	0	0	0	111.1	V255	F244-V255 PolarHBondContact N-O 2.83Å; F244-V255 VanDerWaalsContact N-O 3.11Å; F244-V255 PolarHBondContact O-N 2.96Å
245	I	35.8	Very low	43.3	Very low	47 Å²	47	58.5 Å²	58.5	24%	0.241	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.8	171.4	-58.3	174.1	0	0	0	107.9	A195	A195-I245 HydrophobicContact CB-CD1 3.85Å; A195-I245 HydrophobicContact CB-CG2 4.4Å
246	V	41.3	Very low	42.4	Very low	11 Å²	11	60 Å²	60	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	103.6	167.4	169.3	0	0	0	0	107.1	S252 T253 D292	V246-S252 WeakPolarHBondContact O-CA 3.31Å; V246-T253 PolarHBondContact N-O 2.7Å; V246-T253 PolarHBondContact O-N 3.09Å; V246-T253 VanDerWaalsContact O-N 3.1Å; V246-D292 WeakPolarHBondContact CG1-O 3.46Å
247	D	34	Very low	41.4	Very low	84 Å²	84	57.7 Å²	57.7	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.7	168.3	-171.4	7.5	0	0	0	108.8	G250	D247-G250 PolarHBondContact OD1-N 2.86Å
248	S	37.4	Very low	40.7	Very low	45 Å²	45	57 Å²	57	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	105.3	164.8	60.2	0	0	0	0	107.8	G250 L293	S248-G250 PolarHBondContact O-N 3.36Å; S248-L293 VanDerWaalsContact CB-CD2 3.47Å
249	N	36.4	Very low	40.1	Very low	177 Å²	177	57.9 Å²	57.9	95%	0.947	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	43.8	168.6	-64	-12.6	0	0	0	115.2
250	G	35.3	Very low	40.2	Very low	76 Å²	76	63.5 Å²	63.5	78%	0.784	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	3.8	167.5	0	0	0	0	0	116.1	D247 S248	D247-G250 PolarHBondContact OD1-N 2.86Å; S248-G250 PolarHBondContact O-N 3.36Å
251	A	35.4	Very low	40.5	Very low	44 Å²	44	58.6 Å²	58.6	36%	0.364	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	103.6	167.6	0	0	0	0	0	109.7	T253	A251-T253 PolarHBondContact O-N 2.91Å
252	S	40.5	Very low	41.1	Very low	12 Å²	12	59.9 Å²	59.9	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	102.3	-177.6	47.5	0	0	0	0	111.6	R196 V246 W254 T269	R196-S252 PolarHBondContact O-OG 3.43Å; V246-S252 WeakPolarHBondContact O-CA 3.31Å; S252-W254 VanDerWaalsContact O-CD1 3.23Å; S252-T269 WeakPolarHBondContact O-CG2 3.3Å
253	T	40	Very low	41.4	Very low	22 Å²	22	59.6 Å²	59.6	14%	0.135	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.2	175	-40.1	0	0	0	0	109	V246 A251	V246-T253 PolarHBondContact N-O 2.7Å; V246-T253 PolarHBondContact O-N 3.09Å; V246-T253 VanDerWaalsContact O-N 3.1Å; A251-T253 PolarHBondContact O-N 2.91Å
254	W	39.3	Very low	41.9	Very low	58 Å²	58	58.5 Å²	58.5	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126	-177.5	-71.1	65.9	0	0	0	109.9	D197 S252 Y267 F272	D197-W254 HydrophobicContact CB-CZ2 4.18Å; S252-W254 VanDerWaalsContact O-CD1 3.23Å; W254-Y267 PolarHBondContact N-O 3.1Å; W254-Y267 PolarHBondContact O-N 3.38Å; W254-F272 HydrophobicContact CD2-CZ 4.08Å; W254-F272 HydrophobicContact CE3-CZ 4.07Å; W254-F272 HydrophobicContact CH2-CZ 4.38Å; W254-F272 HydrophobicContact CZ2-CZ 4.4Å; W254-F272 HydrophobicContact CZ3-CZ 4.22Å
255	V	44.4	Very low	42.1	Very low	19 Å²	19	54.7 Å²	54.7	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.2	169.4	-171.8	0	0	0	0	107.6	F244 V264 L266	F244-V255 PolarHBondContact N-O 2.83Å; F244-V255 VanDerWaalsContact N-O 3.11Å; F244-V255 PolarHBondContact O-N 2.96Å; V255-V264 HydrophobicContact CG1-CG1 3.66Å; V255-L266 HydrophobicContact CB-CD2 4.3Å; V255-L266 HydrophobicContact CG1-CD2 4.05Å; V255-L266 HydrophobicContact CG2-CD2 3.65Å
256	H	42.8	Very low	42.6	Very low	64 Å²	64	53.7 Å²	53.7	30%	0.296	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.1	171.6	-169	57.5	0	0	0	109.4	T265 Y267	H256-T265 PolarHBondContact N-O 2.97Å; H256-T265 PolarHBondContact O-N 3.32Å; H256-Y267 HydrophobicContact CB-CD2 3.99Å; H256-Y267 HydrophobicContact CB-CE2 3.56Å
257	M	43.2	Very low	42.7	Very low	27 Å²	27	55.2 Å²	55.2	13%	0.133	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	110.5	175.8	-157.2	-178.5	-168.5	0	0	109	G242 T259 V264 L281 I287	G242-M257 WeakPolarHBondContact O-CB 3.29Å; G242-M257 PolarHBondContact O-N 3.47Å; M257-T259 PolarHBondContact O-N 3.2Å; M257-V264 HydrophobicContact CE-CG2 4.25Å; M257-V264 HydrophobicContact CG-CG2 4.08Å; M257-L281 HydrophobicContact CE-CD1 3.34Å; M257-I287 HydrophobicContact CE-CD1 3.42Å; M257-I287 VanDerWaalsContact CE-CD1 3.42Å; M257-I287 HydrophobicContact CE-CG1 3.98Å; M257-I287 HydrophobicContact SD-CD1 3.73Å
258	E	44.6	Very low	43.1	Very low	68 Å²	68	54 Å²	54	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	99.8	168.4	-81	-178.2	177.5	0	0	107.8	E260 A261 L262 S263 R278	E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.42Å; E258-A261 HydrophobicContact CB-CB 3.88Å; E258-A261 PolarHBondContact O-N 3.06Å; E258-A261 WeakPolarHBondContact OE2-CB 3.2Å; E258-L262 PolarHBondContact O-N 2.86Å; E258-L262 VanDerWaalsContact O-N 3.14Å; E258-S263 PolarHBondContact N-O 3.46Å; E258-S263 VanDerWaalsContact N-O 3.13Å; E258-S263 PolarHBondContact O-N 3.32Å; E258-R278 IonicContact OE1-NH2 3.94Å; E258-R278 IonicContact OE2-CZ 3.99Å; E258-R278 IonicContact OE2-NH2 3.08Å; E258-R278 PolarHBondContact OE2-NH2 2.97Å
259	T	44.1	Very low	43.5	Very low	63 Å²	63	52.8 Å²	52.8	39%	0.387	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.4	178.3	48.9	0	0	0	0	112.3	T241 M257 A261 L262	T241-T259 WeakPolarHBondContact CB-OG1 3.19Å; T241-T259 HydrophobicContact CG2-CG2 3.75Å; T241-T259 WeakPolarHBondContact CG2-OG1 3.27Å; M257-T259 PolarHBondContact O-N 3.2Å; T259-A261 VanDerWaalsContact C-N 3.32Å; T259-A261 PolarHBondContact O-N 3.25Å; T259-L262 PolarHBondContact O-N 3.13Å
260	E	47	Very low	43.7	Very low	196 Å²	196	50.6 Å²	50.6	92%	0.916	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-36	176.1	-69.5	-170.7	171.4	0	0	112.4	E258 L262	E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.42Å; E260-L262 VanDerWaalsContact C-N 3.32Å
261	A	48.9	Very low	43.9	Very low	49 Å²	49	49 Å²	49	41%	0.405	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.2	177.7	0	0	0	0	0	113.3	E258 T259 S263	E258-A261 HydrophobicContact CB-CB 3.88Å; E258-A261 PolarHBondContact O-N 3.06Å; E258-A261 WeakPolarHBondContact OE2-CB 3.2Å; T259-A261 VanDerWaalsContact C-N 3.32Å; T259-A261 PolarHBondContact O-N 3.25Å; A261-S263 PolarHBondContact O-N 3.16Å
262	L	50.1	Low	44	Very low	78 Å²	78	52.2 Å²	52.2	41%	0.408	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	48	-173.8	-69	172.4	0	0	0	111.3	E258 T259 E260 P280 L281 P283	E258-L262 PolarHBondContact O-N 2.86Å; E258-L262 VanDerWaalsContact O-N 3.14Å; T259-L262 PolarHBondContact O-N 3.13Å; E260-L262 VanDerWaalsContact C-N 3.32Å; L262-P280 CarbonylContact O-C 3.53Å; L262-P280 WeakPolarHBondContact O-CA 3.47Å; L262-L281 WeakPolarHBondContact CB-O 3.43Å; L262-L281 PolarHBondContact O-N 2.8Å; L262-P283 HydrophobicContact CD1-CB 4.06Å; L262-P283 HydrophobicContact CD2-CB 4.03Å
263	S	49.3	Very low	43.9	Very low	6 Å²	6	63.2 Å²	63.2	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.6	-178.3	70.8	0	0	0	0	113.7	E258 A261 R278 I279	E258-S263 PolarHBondContact N-O 3.46Å; E258-S263 VanDerWaalsContact N-O 3.13Å; E258-S263 PolarHBondContact O-N 3.32Å; A261-S263 PolarHBondContact O-N 3.16Å; S263-R278 PolarHBondContact OG-NE 2.9Å; S263-I279 CarbonylContact C-O 3.49Å; S263-I279 WeakPolarHBondContact CA-O 3.26Å; S263-I279 WeakPolarHBondContact CB-O 3.46Å
264	V	48.5	Very low	43.8	Very low	2 Å²	2	68 Å²	68	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.6	167.7	171.9	0	0	0	0	107.9	V255 M257 I279 L281 I287	V255-V264 HydrophobicContact CG1-CG1 3.66Å; M257-V264 HydrophobicContact CE-CG2 4.25Å; M257-V264 HydrophobicContact CG-CG2 4.08Å; V264-I279 PolarHBondContact N-O 2.74Å; V264-I279 PolarHBondContact O-N 3.05Å; V264-L281 HydrophobicContact CG2-CD1 3.4Å; V264-L281 HydrophobicContact CG2-CD2 4.49Å; V264-L281 HydrophobicContact CG2-CG 3.97Å; V264-I287 HydrophobicContact CG2-CD1 4.14Å
265	T	46.8	Very low	43.8	Very low	1 Å²	1	68.5 Å²	68.5	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.6	178	-42.8	0	0	0	0	108.9	H256 Y267 P275 F277 R278	H256-T265 PolarHBondContact N-O 2.97Å; H256-T265 PolarHBondContact O-N 3.32Å; T265-Y267 HydrophobicContact CG2-CD2 4.46Å; T265-Y267 HydrophobicContact CG2-CE1 4.49Å; T265-Y267 HydrophobicContact CG2-CE2 3.8Å; T265-P275 HydrophobicContact CG2-CB 3.32Å; T265-P275 HydrophobicContact CG2-CG 4.46Å; T265-F277 WeakPolarHBondContact CA-O 3.11Å; T265-R278 HydrophobicContact CG2-CG 4.25Å
266	L	44.9	Very low	43.8	Very low	25 Å²	25	74.2 Å²	74.2	13%	0.131	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.8	176.8	-66.9	169.9	0	0	0	109.2	V255 Y276 F277	V255-L266 HydrophobicContact CB-CD2 4.3Å; V255-L266 HydrophobicContact CG1-CD2 4.05Å; V255-L266 HydrophobicContact CG2-CD2 3.65Å; L266-Y276 WeakPolarHBondContact O-CB 3.26Å; L266-Y276 PolarHBondContact O-N 3.29Å; L266-F277 PolarHBondContact N-O 3.12Å
267	Y	43.3	Very low	43.7	Very low	44 Å²	44	77.8 Å²	77.8	17%	0.173	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.4	173.4	-64.2	-88.7	0	0	0	109.4	W254 H256 T265 P275	W254-Y267 PolarHBondContact N-O 3.1Å; W254-Y267 PolarHBondContact O-N 3.38Å; H256-Y267 HydrophobicContact CB-CD2 3.99Å; H256-Y267 HydrophobicContact CB-CE2 3.56Å; T265-Y267 HydrophobicContact CG2-CD2 4.46Å; T265-Y267 HydrophobicContact CG2-CE1 4.49Å; T265-Y267 HydrophobicContact CG2-CE2 3.8Å; Y267-P275 HydrophobicContact CE1-CB 4.28Å
268	H	43.6	Very low	43.7	Very low	58 Å²	58	83.1 Å²	83.1	27%	0.269	40%	0.401	S	S	.	.			trans	-76.5	144.5	168.2	-173.6	-87.8	0	0	0	109.5	N270 A271 Y276	H268-N270 PolarHBondContact ND1-N 3.37Å; H268-N270 PolarHBondContact O-N 2.64Å; H268-A271 PolarHBondContact O-N 3.42Å; H268-Y276 HydrophobicContact CB-CD2 3.73Å; H268-Y276 HydrophobicContact CB-CE2 4.13Å; H268-Y276 HydrophobicContact CB-CG 4.32Å
269	T	46.4	Very low	43.9	Very low	19 Å²	19	82 Å²	82	12%	0.117	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.5	-45.7	-179.6	39.8	0	0	0	0	113.3	P198 S252 A271	P198-T269 WeakPolarHBondContact CB-O 3.36Å; P198-T269 HydrophobicContact CG-CG2 3.7Å; P198-T269 WeakPolarHBondContact CG-O 3.49Å; S252-T269 WeakPolarHBondContact O-CG2 3.3Å; T269-A271 PolarHBondContact O-N 3.25Å
270	N	40.2	Very low	43.9	Very low	132 Å²	132	84 Å²	84	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	3.2	-168.6	-64.7	-12.8	0	0	0	116.8	H268	H268-N270 PolarHBondContact ND1-N 3.37Å; H268-N270 PolarHBondContact O-N 2.64Å
271	A	38.6	Very low	44	Very low	41 Å²	41	75.4 Å²	75.4	34%	0.339	37%	0.371	S	S	.	.			trans	-148.9	87.3	-178.2	0	0	0	0	0	114.4	H268 T269 R273	H268-A271 PolarHBondContact O-N 3.42Å; T269-A271 PolarHBondContact O-N 3.25Å; A271-R273 VanDerWaalsContact C-N 3.28Å; A271-R273 PolarHBondContact O-N 3Å
272	F	37.4	Very low	43.9	Very low	113 Å²	113	75 Å²	75	50%	0.496	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.7	176	-109.8	-85.2	0	0	0	114.6	W254	W254-F272 HydrophobicContact CD2-CZ 4.08Å; W254-F272 HydrophobicContact CE3-CZ 4.07Å; W254-F272 HydrophobicContact CH2-CZ 4.38Å; W254-F272 HydrophobicContact CZ2-CZ 4.4Å; W254-F272 HydrophobicContact CZ3-CZ 4.22Å
273	R	39.3	Very low	43.7	Very low	243 Å²	243	76.6 Å²	76.6	92%	0.917	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.9	-175	-75	-170.5	178.8	-172.4	0.6	114.9	A271	A271-R273 VanDerWaalsContact C-N 3.28Å; A271-R273 PolarHBondContact O-N 3Å
274	N	36.9	Very low	43.5	Very low	123 Å²	123	78.6 Å²	78.6	66%	0.658	39%	0.393	S	S	*	.	S	Bend	trans	-124.4	118	179.3	-79	-10.3	0	0	0	109.9	Y276	N274-Y276 PolarHBondContact O-N 3.4Å
275	P	39	Very low	43.4	Very low	68 Å²	68	79.3 Å²	79.3	44%	0.442	40%	0.398	S	S	.	.			trans	-62.7	133.8	172.3	27.5	-33.4	0	0	0	109.9	T265 Y267	T265-P275 HydrophobicContact CG2-CB 3.32Å; T265-P275 HydrophobicContact CG2-CG 4.46Å; Y267-P275 HydrophobicContact CE1-CB 4.28Å
276	Y	44.8	Very low	43.1	Very low	138 Å²	138	84.1 Å²	84.1	54%	0.541	42%	0.423	S	S	.	.	S	Bend	trans	-77.1	-38.5	-178.8	-137.3	-90.2	0	0	0	110.7	L266 H268 N274	L266-Y276 WeakPolarHBondContact O-CB 3.26Å; L266-Y276 PolarHBondContact O-N 3.29Å; H268-Y276 HydrophobicContact CB-CD2 3.73Å; H268-Y276 HydrophobicContact CB-CE2 4.13Å; H268-Y276 HydrophobicContact CB-CG 4.32Å; N274-Y276 PolarHBondContact O-N 3.4Å
277	F	42	Very low	43	Very low	140 Å²	140	85 Å²	85	61%	0.614	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.1	136.9	175.5	-122.5	-94.6	0	0	0	110.1	T265 L266 I279	T265-F277 WeakPolarHBondContact CA-O 3.11Å; L266-F277 PolarHBondContact N-O 3.12Å; F277-I279 HydrophobicContact CD1-CG1 4.33Å
278	R	41.7	Very low	42.8	Very low	139 Å²	139	86.9 Å²	86.9	53%	0.525	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.9	174.2	-156.1	178.7	-160.7	175.1	7.4	108.7	E258 S263 T265	E258-R278 IonicContact OE1-NH2 3.94Å; E258-R278 IonicContact OE2-CZ 3.99Å; E258-R278 IonicContact OE2-NH2 3.08Å; E258-R278 PolarHBondContact OE2-NH2 2.97Å; S263-R278 PolarHBondContact OG-NE 2.9Å; T265-R278 HydrophobicContact CG2-CG 4.25Å
279	I	49	Very low	42.5	Very low	45 Å²	45	88.3 Å²	88.3	23%	0.231	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.3	-177.1	-57.1	172.4	0	0	0	107.9	S263 V264 F277 I309	S263-I279 CarbonylContact C-O 3.49Å; S263-I279 WeakPolarHBondContact CA-O 3.26Å; S263-I279 WeakPolarHBondContact CB-O 3.46Å; V264-I279 PolarHBondContact N-O 2.74Å; V264-I279 PolarHBondContact O-N 3.05Å; F277-I279 HydrophobicContact CD1-CG1 4.33Å; I279-I309 HydrophobicContact CD1-CD1 4.11Å
280	P	44.6	Very low	42.1	Very low	105 Å²	105	94.5 Å²	94.5	68%	0.682	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	135	171.8	28.3	-31.8	0	0	0	110.1	L262	L262-P280 CarbonylContact O-C 3.53Å; L262-P280 WeakPolarHBondContact O-CA 3.47Å
281	L	48.8	Very low	42	Very low	15 Å²	15	91.2 Å²	91.2	8%	0.079	46%	0.456	C	S	.	.			trans	-110.8	145.2	176.9	-69.8	-176.2	0	0	0	110.9	M257 L262 V264 T285 A297	M257-L281 HydrophobicContact CE-CD1 3.34Å; L262-L281 WeakPolarHBondContact CB-O 3.43Å; L262-L281 PolarHBondContact O-N 2.8Å; V264-L281 HydrophobicContact CG2-CD1 3.4Å; V264-L281 HydrophobicContact CG2-CD2 4.49Å; V264-L281 HydrophobicContact CG2-CG 3.97Å; L281-T285 HydrophobicContact CD1-CG2 4.44Å; L281-T285 HydrophobicContact CD2-CG2 4.39Å; L281-A297 HydrophobicContact CD2-CB 4.38Å
282	P	46.4	Very low	41.8	Very low	39 Å²	39	93.7 Å²	93.7	25%	0.253	46%	0.464	S	S	.	.			trans	-60.7	149.3	167.6	-21	31.1	0	0	0	112.2	S284 T285	P282-S284 PolarHBondContact O-N 2.68Å; P282-T285 WeakPolarHBondContact CD-OG1 3.49Å; P282-T285 PolarHBondContact O-N 3.28Å; P282-T285 PolarHBondContact O-OG1 3.36Å
283	P	46.4	Very low	41.7	Very low	113 Å²	113	92.9 Å²	92.9	73%	0.734	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.6	-177.5	23.2	-32.4	0	0	0	115.8	L262	L262-P283 HydrophobicContact CD1-CB 4.06Å; L262-P283 HydrophobicContact CD2-CB 4.03Å
284	S	45.5	Very low	41.6	Very low	48 Å²	48	82.7 Å²	82.7	34%	0.336	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	20.2	-178.3	42.1	0	0	0	0	114.6	P282 N299 V300	P282-S284 PolarHBondContact O-N 2.68Å; S284-N299 WeakPolarHBondContact CB-OD1 3.41Å; S284-N299 WeakPolarHBondContact O-CA 3.37Å; S284-N299 PolarHBondContact O-OD1 3.14Å; S284-N299 VanDerWaalsContact O-OD1 3.12Å; S284-N299 VanDerWaalsContact OG-CG 3.26Å; S284-N299 PolarHBondContact OG-ND2 3.22Å; S284-N299 PolarHBondContact OG-OD1 3.01Å; S284-V300 PolarHBondContact O-N 2.89Å
285	T	45.6	Very low	41.7	Very low	17 Å²	17	77.9 Å²	77.9	10%	0.104	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.3	-175.3	-38.3	0	0	0	0	112.8	L281 P282 A297 C298	L281-T285 HydrophobicContact CD1-CG2 4.44Å; L281-T285 HydrophobicContact CD2-CG2 4.39Å; P282-T285 WeakPolarHBondContact CD-OG1 3.49Å; P282-T285 PolarHBondContact O-N 3.28Å; P282-T285 PolarHBondContact O-OG1 3.36Å; T285-A297 HydrophobicContact CG2-CB 3.81Å; T285-C298 CarbonylContact C-O 3.54Å; T285-C298 WeakPolarHBondContact CA-O 3Å
286	D	41.5	Very low	41.8	Very low	102 Å²	102	76.1 Å²	76.1	55%	0.545	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.2	166.9	-86.9	-14.3	0	0	0	111.5	C298 V300	D286-C298 PolarHBondContact N-O 3.19Å; D286-C298 PolarHBondContact O-N 3.26Å; D286-V300 HydrophobicContact CB-CG2 3.46Å; D286-V300 VanDerWaalsContact CB-CG2 3.46Å; D286-V300 VanDerWaalsContact CG-CG2 3.49Å; D286-V300 WeakPolarHBondContact OD2-CG2 3.5Å
287	I	41.1	Very low	41.5	Very low	42 Å²	42	69.6 Å²	69.6	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.6	179.9	-68	-177.7	0	0	0	110.8	M257 V264 T295 F296 A297	M257-I287 HydrophobicContact CE-CD1 3.42Å; M257-I287 VanDerWaalsContact CE-CD1 3.42Å; M257-I287 HydrophobicContact CE-CG1 3.98Å; M257-I287 HydrophobicContact SD-CD1 3.73Å; V264-I287 HydrophobicContact CG2-CD1 4.14Å; I287-T295 HydrophobicContact CG2-CG2 3.4Å; I287-T295 VanDerWaalsContact CG2-CG2 3.4Å; I287-F296 CarbonylContact C-O 3.49Å; I287-F296 WeakPolarHBondContact CA-O 3.21Å; I287-F296 VanDerWaalsContact CG2-O 3.27Å; I287-F296 WeakPolarHBondContact CG2-O 3.35Å; I287-A297 HydrophobicContact CG1-CB 4.03Å
288	V	40.9	Very low	41.4	Very low	84 Å²	84	64.5 Å²	64.5	51%	0.509	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.4	177.4	-176.5	0	0	0	0	109.3	F296	V288-F296 PolarHBondContact N-O 3.15Å; V288-F296 WeakPolarHBondContact O-CB 3.38Å; V288-F296 VanDerWaalsContact O-CD2 3.24Å; V288-F296 WeakPolarHBondContact O-CD2 3.49Å; V288-F296 PolarHBondContact O-N 3.49Å
289	K	36.9	Very low	41.2	Very low	89 Å²	89	58.6 Å²	58.6	39%	0.387	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127	173.1	-173.9	178.7	175.5	-174.4	0	109.7	T291 D292	K289-T291 VanDerWaalsContact CE-O 3.26Å; K289-T291 WeakPolarHBondContact CE-O 3.42Å; K289-D292 WeakPolarHBondContact CE-OD1 3.45Å; K289-D292 IonicContact NZ-OD1 3.79Å; K289-D292 PolarHBondContact NZ-OD1 3.15Å
290	Y	38.3	Very low	40.8	Very low	148 Å²	148	60.4 Å²	60.4	58%	0.58	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	-35.7	176	-153.4	-99.5	0	0	0	112.4	F296	Y290-F296 HydrophobicContact CG-CE2 4.29Å
291	T	37.1	Very low	40.6	Very low	64 Å²	64	58.9 Å²	58.9	39%	0.393	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	169	179.8	53.6	0	0	0	0	111.2	K289 L293 I294	K289-T291 VanDerWaalsContact CE-O 3.26Å; K289-T291 WeakPolarHBondContact CE-O 3.42Å; T291-L293 PolarHBondContact O-N 3.29Å; T291-I294 PolarHBondContact O-N 3.36Å
292	D	34.8	Very low	40.3	Very low	93 Å²	93	63.2 Å²	63.2	50%	0.497	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.5	-178.9	-63.4	-39.4	0	0	0	114	V246 K289	V246-D292 WeakPolarHBondContact CG1-O 3.46Å; K289-D292 WeakPolarHBondContact CE-OD1 3.45Å; K289-D292 IonicContact NZ-OD1 3.79Å; K289-D292 PolarHBondContact NZ-OD1 3.15Å
293	L	34.7	Very low	40	Very low	95 Å²	95	66.5 Å²	66.5	50%	0.497	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.3	-177.1	-67.7	166.2	0	0	0	115.4	S248 T291	S248-L293 VanDerWaalsContact CB-CD2 3.47Å; T291-L293 PolarHBondContact O-N 3.29Å
294	I	38.5	Very low	39.5	Very low	30 Å²	30	67.2 Å²	67.2	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120.6	-165.4	-50.4	179.3	0	0	0	111.6	T291 F296 I366	T291-I294 PolarHBondContact O-N 3.36Å; I294-F296 HydrophobicContact CB-CE2 4.4Å; I294-F296 HydrophobicContact CG2-CD2 4.4Å; I294-F296 HydrophobicContact CG2-CE1 4.31Å; I294-F296 HydrophobicContact CG2-CE2 3.66Å; I294-F296 HydrophobicContact CG2-CZ 3.64Å; I294-I366 HydrophobicContact CD1-CD1 3.35Å
295	T	37.7	Very low	39.2	Very low	22 Å²	22	67.8 Å²	67.8	14%	0.135	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.2	-179.2	-55.8	0	0	0	0	110.4	I287	I287-T295 HydrophobicContact CG2-CG2 3.4Å; I287-T295 VanDerWaalsContact CG2-CG2 3.4Å
296	F	41.6	Very low	38.8	Very low	30 Å²	30	70.1 Å²	70.1	13%	0.132	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.8	-176.3	-59.4	-94.7	0	0	0	110.9	I287 V288 Y290 I294 L305 V361	I287-F296 CarbonylContact C-O 3.49Å; I287-F296 WeakPolarHBondContact CA-O 3.21Å; I287-F296 VanDerWaalsContact CG2-O 3.27Å; I287-F296 WeakPolarHBondContact CG2-O 3.35Å; V288-F296 PolarHBondContact N-O 3.15Å; V288-F296 WeakPolarHBondContact O-CB 3.38Å; V288-F296 VanDerWaalsContact O-CD2 3.24Å; V288-F296 WeakPolarHBondContact O-CD2 3.49Å; V288-F296 PolarHBondContact O-N 3.49Å; Y290-F296 HydrophobicContact CG-CE2 4.29Å; I294-F296 HydrophobicContact CB-CE2 4.4Å; I294-F296 HydrophobicContact CG2-CD2 4.4Å; I294-F296 HydrophobicContact CG2-CE1 4.31Å; I294-F296 HydrophobicContact CG2-CE2 3.66Å; I294-F296 HydrophobicContact CG2-CZ 3.64Å; F296-L305 HydrophobicContact CD1-CD1 4.48Å; F296-V361 HydrophobicContact CE1-CG1 4.3Å
297	A	37.5	Very low	38.7	Very low	1 Å²	1	69.4 Å²	69.4	1%	0.008	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.8	168.6	0	0	0	0	0	109.4	L281 T285 I287	L281-A297 HydrophobicContact CD2-CB 4.38Å; T285-A297 HydrophobicContact CG2-CB 3.81Å; I287-A297 HydrophobicContact CG1-CB 4.03Å
298	C	41.5	Very low	38.7	Very low	34 Å²	34	70.2 Å²	70.2	23%	0.23	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	-174.8	-70.8	0	0	0	0	110.9	T285 D286 V300	T285-C298 CarbonylContact C-O 3.54Å; T285-C298 WeakPolarHBondContact CA-O 3Å; D286-C298 PolarHBondContact N-O 3.19Å; D286-C298 PolarHBondContact O-N 3.26Å; C298-V300 PolarHBondContact O-N 2.87Å
299	N	36.5	Very low	38.6	Very low	14 Å²	14	67.3 Å²	67.3	8%	0.075	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.5	171.1	-168	-30.9	0	0	0	109.9	S284 A301 S303	S284-N299 WeakPolarHBondContact CB-OD1 3.41Å; S284-N299 WeakPolarHBondContact O-CA 3.37Å; S284-N299 PolarHBondContact O-OD1 3.14Å; S284-N299 VanDerWaalsContact O-OD1 3.12Å; S284-N299 VanDerWaalsContact OG-CG 3.26Å; S284-N299 PolarHBondContact OG-ND2 3.22Å; S284-N299 PolarHBondContact OG-OD1 3.01Å; N299-A301 VanDerWaalsContact C-N 3.32Å; N299-A301 PolarHBondContact O-N 3.34Å; N299-A301 WeakPolarHBondContact OD1-CB 3.2Å; N299-A301 PolarHBondContact OD1-N 3.23Å; N299-A301 VanDerWaalsContact OD1-N 3.16Å; N299-S303 PolarHBondContact O-N 3.13Å
300	V	41.1	Very low	38.7	Very low	84 Å²	84	66.7 Å²	66.7	51%	0.509	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.7	-174.2	-176.3	0	0	0	0	111.9	S284 D286 C298 D302	S284-V300 PolarHBondContact O-N 2.89Å; D286-V300 HydrophobicContact CB-CG2 3.46Å; D286-V300 VanDerWaalsContact CB-CG2 3.46Å; D286-V300 VanDerWaalsContact CG-CG2 3.49Å; D286-V300 WeakPolarHBondContact OD2-CG2 3.5Å; C298-V300 PolarHBondContact O-N 2.87Å; V300-D302 VanDerWaalsContact C-N 3.32Å; V300-D302 PolarHBondContact O-N 2.86Å
301	A	40.5	Very low	38.4	Very low	72 Å²	72	61.1 Å²	61.1	60%	0.595	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-41.5	-171.6	0	0	0	0	0	112.2	N299	N299-A301 VanDerWaalsContact C-N 3.32Å; N299-A301 PolarHBondContact O-N 3.34Å; N299-A301 WeakPolarHBondContact OD1-CB 3.2Å; N299-A301 PolarHBondContact OD1-N 3.23Å; N299-A301 VanDerWaalsContact OD1-N 3.16Å
302	D	42.5	Very low	38.2	Very low	107 Å²	107	61.9 Å²	61.9	57%	0.572	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	0.5	-173.7	-69.1	-15.7	0	0	0	113.6	V300 R304	V300-D302 VanDerWaalsContact C-N 3.32Å; V300-D302 PolarHBondContact O-N 2.86Å; D302-R304 HydrophobicContact CB-CB 4.38Å; D302-R304 HydrophobicContact CB-CG 4.13Å; D302-R304 PolarHBondContact O-N 2.61Å
303	S	39.4	Very low	37.9	Very low	108 Å²	108	61.2 Å²	61.2	76%	0.755	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	20.8	-173.5	-55.2	0	0	0	0	113.8	N299	N299-S303 PolarHBondContact O-N 3.13Å
304	R	37	Very low	37.7	Very low	127 Å²	127	61.6 Å²	61.6	48%	0.479	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.8	178.6	-72.3	-177.5	178.9	-169.7	1.1	109.8	D302 E306	D302-R304 HydrophobicContact CB-CB 4.38Å; D302-R304 HydrophobicContact CB-CG 4.13Å; D302-R304 PolarHBondContact O-N 2.61Å; R304-E306 PolarHBondContact O-N 3.26Å
305	L	38.7	Very low	37.2	Very low	60 Å²	60	65.1 Å²	65.1	31%	0.314	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	101.9	174.4	-167.7	113.4	0	0	0	108	F296 V308	F296-L305 HydrophobicContact CD1-CD1 4.48Å; L305-V308 HydrophobicContact CD2-CG2 3.65Å
306	E	37.7	Very low	36.8	Very low	66 Å²	66	69.6 Å²	69.6	31%	0.308	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-36.2	-175.8	-68.9	-169.5	161.1	0	0	113.4	R304	R304-E306 PolarHBondContact O-N 3.26Å
307	Y	39.8	Very low	36.1	Very low	87 Å²	87	77.2 Å²	77.2	34%	0.341	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.2	-173.3	-59.9	-77.6	0	0	0	112.7	L329	Y307-L329 HydrophobicContact CD1-CD2 3.41Å; Y307-L329 VanDerWaalsContact CD1-CD2 3.41Å; Y307-L329 HydrophobicContact CE1-CD2 3.48Å; Y307-L329 VanDerWaalsContact CE1-CD2 3.48Å
308	V	40.6	Very low	35.7	Very low	59 Å²	59	84.9 Å²	84.9	36%	0.358	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.8	170.8	-179.9	0	0	0	0	108	L305	L305-V308 HydrophobicContact CD2-CG2 3.65Å
309	I	38.4	Very low	35	Very low	23 Å²	23	89 Å²	89	12%	0.118	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.4	176.9	-56.5	174.8	0	0	0	107.5	I279	I279-I309 HydrophobicContact CD1-CD1 4.11Å
310	N	38	Very low	34.7	Very low	77 Å²	77	93.9 Å²	93.9	41%	0.412	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105	177.7	-171.5	17.5	0	0	0	110.3	C312	N310-C312 VanDerWaalsContact C-N 3.28Å; N310-C312 PolarHBondContact ND2-SG 3.31Å; N310-C312 VanDerWaalsContact ND2-SG 3.44Å; N310-C312 PolarHBondContact O-N 2.88Å; N310-C312 VanDerWaalsContact O-N 3.17Å; N310-C312 PolarHBondContact OD1-SG 2.93Å
311	C	33.7	Very low	34.2	Very low	30 Å²	30	94.6 Å²	94.6	20%	0.203	54%	0.543	C	S	.	.			trans	-87.9	58.8	177.5	-62.2	0	0	0	0	111.1	I313	C311-I313 PolarHBondContact O-N 2.99Å
312	C	32.5	Very low	33.7	Very low	80 Å²	80	95.5 Å²	95.5	54%	0.541	55%	0.545	S	S	.	.			trans	-82.9	106.6	169.7	-72.2	0	0	0	0	109.4	N310	N310-C312 VanDerWaalsContact C-N 3.28Å; N310-C312 PolarHBondContact ND2-SG 3.31Å; N310-C312 VanDerWaalsContact ND2-SG 3.44Å; N310-C312 PolarHBondContact O-N 2.88Å; N310-C312 VanDerWaalsContact O-N 3.17Å; N310-C312 PolarHBondContact OD1-SG 2.93Å
313	I	29.1	Very low	33.2	Very low	80 Å²	80	93.1 Å²	93.1	41%	0.41	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-83.9	125.3	161.5	-59.2	176.6	0	0	0	107.5	C311 S315 F325	C311-I313 PolarHBondContact O-N 2.99Å; I313-S315 PolarHBondContact O-N 3.26Å; I313-F325 HydrophobicContact CD1-CZ 4.01Å; I313-F325 HydrophobicContact CG1-CE1 3.86Å; I313-F325 HydrophobicContact CG1-CE2 4.45Å; I313-F325 HydrophobicContact CG1-CZ 3.49Å; I313-F325 VanDerWaalsContact CG1-CZ 3.49Å
314	P	29.4	Very low	32.6	Very low	102 Å²	102	91.9 Å²	91.9	66%	0.662	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-59.4	130.2	173.7	-18.9	30.4	0	0	0	110.2	V316	P314-V316 PolarHBondContact O-N 3.15Å
315	S	28.9	Very low	32.4	Very low	104 Å²	104	89.8 Å²	89.8	73%	0.727	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-55.5	125.6	172.5	52.9	0	0	0	0	110.7	I313	I313-S315 PolarHBondContact O-N 3.26Å
316	V	27.9	Very low	32	Very low	116 Å²	116	93.9 Å²	93.9	70%	0.703	55%	0.553	S	S	*	*	S	Bend	trans	70.2	100	134.7	177.7	0	0	0	0	115	P314	P314-V316 PolarHBondContact O-N 3.15Å
317	F	28.3	Very low	31.6	Very low	190 Å²	190	94.2 Å²	94.2	83%	0.833	56%	0.562	S	S	*	*			trans	82.7	133.2	151.9	-70.1	-113.6	0	0	0	118.9
318	L	27.3	Very low	31.3	Very low	163 Å²	163	95.7 Å²	95.7	85%	0.853	58%	0.58	S	S	*	*	S	Bend	trans	94.4	97	170.9	-62.4	141.3	0	0	0	115.9
319	D	27.7	Very low	30.9	Very low	119 Å²	119	98.8 Å²	98.8	64%	0.636	59%	0.594	S	S	*	*			trans	70.6	100.6	159.8	-129.8	-13.8	0	0	0	119.5	A321 S322	D319-A321 PolarHBondContact O-N 2.96Å; D319-S322 PolarHBondContact O-N 2.85Å; D319-S322 PolarHBondContact O-OG 3.09Å
320	P	30.3	Very low	30.8	Very low	118 Å²	118	103.3 Å²	103.3	77%	0.766	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-7.3	-176.9	26.2	-33.8	0	0	0	115.3
321	A	30.2	Very low	30.4	Very low	98 Å²	98	102.9 Å²	102.9	81%	0.81	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-17.8	175.6	0	0	0	0	0	113.8	D319	D319-A321 PolarHBondContact O-N 2.96Å
322	S	30.1	Very low	30.6	Very low	92 Å²	92	106.5 Å²	106.5	64%	0.643	65%	0.645	S	S	*	*	S	Bend	trans	-102.3	-4.2	-174.2	68.7	0	0	0	0	114.7	D319 A324	D319-S322 PolarHBondContact O-N 2.85Å; D319-S322 PolarHBondContact O-OG 3.09Å; S322-A324 PolarHBondContact O-N 2.84Å
323	A	32.4	Very low	30.7	Very low	57 Å²	57	108.8 Å²	108.8	47%	0.471	65%	0.648	S	S	.	*			trans	-78.3	64.8	176.1	0	0	0	0	0	111.3	F325	A323-F325 PolarHBondContact O-N 2.76Å
324	A	26.4	Very low	30.6	Very low	82 Å²	82	110.1 Å²	110.1	68%	0.678	66%	0.655	S	S	*	*			trans	-63.6	106.6	163.1	0	0	0	0	0	107.9	S322 N326	S322-A324 PolarHBondContact O-N 2.84Å; A324-N326 PolarHBondContact O-N 3.38Å
325	F	32.9	Very low	30.5	Very low	82 Å²	82	108.9 Å²	108.9	36%	0.36	65%	0.647	S	S	.	*			trans	-54.2	108.4	168.6	-91.3	-98	0	0	0	108.8	I313 A323 C327	I313-F325 HydrophobicContact CD1-CZ 4.01Å; I313-F325 HydrophobicContact CG1-CE1 3.86Å; I313-F325 HydrophobicContact CG1-CE2 4.45Å; I313-F325 HydrophobicContact CG1-CZ 3.49Å; I313-F325 VanDerWaalsContact CG1-CZ 3.49Å; A323-F325 PolarHBondContact O-N 2.76Å; F325-C327 PolarHBondContact O-N 3.24Å
326	N	29.7	Very low	30.9	Very low	147 Å²	147	112.1 Å²	112.1	79%	0.786	66%	0.656	S	S	*	*			trans	-75.7	75	170.1	-90.2	-12.4	0	0	0	109.6	A324 T328	A324-N326 PolarHBondContact O-N 3.38Å; N326-T328 PolarHBondContact O-N 3.1Å
327	C	30.5	Very low	31	Very low	72 Å²	72	115.1 Å²	115.1	49%	0.486	66%	0.663	S	S	.	*			trans	-69	93.9	162	-75.5	0	0	0	0	108.4	F325 L329	F325-C327 PolarHBondContact O-N 3.24Å; C327-L329 PolarHBondContact O-N 3.21Å
328	T	33	Very low	30.9	Very low	118 Å²	118	114.4 Å²	114.4	72%	0.724	66%	0.655	S	S	*	*			trans	-83.3	103.4	175.1	-5.7	0	0	0	0	109.7	N326 V330	N326-T328 PolarHBondContact O-N 3.1Å; T328-V330 PolarHBondContact O-N 3.18Å
329	L	31.8	Very low	31	Very low	125 Å²	125	109.6 Å²	109.6	65%	0.654	65%	0.645	S	S	*	*			trans	-73	112.7	168.2	-91.6	132.1	0	0	0	109.1	Y307 C327 P331	Y307-L329 HydrophobicContact CD1-CD2 3.41Å; Y307-L329 VanDerWaalsContact CD1-CD2 3.41Å; Y307-L329 HydrophobicContact CE1-CD2 3.48Å; Y307-L329 VanDerWaalsContact CE1-CD2 3.48Å; C327-L329 PolarHBondContact O-N 3.21Å; L329-P331 WeakPolarHBondContact O-CD 3.33Å
330	V	36.5	Very low	31.1	Very low	118 Å²	118	107.1 Å²	107.1	72%	0.715	64%	0.635	S	S	*	*			trans	-108.1	95.4	169.3	-174	0	0	0	0	108.4	T328 T332	T328-V330 PolarHBondContact O-N 3.18Å; V330-T332 PolarHBondContact O-N 3Å
331	P	29.6	Very low	30.9	Very low	68 Å²	68	105.2 Å²	105.2	44%	0.442	62%	0.621	S	S	.	*			trans	-66.3	130	172.6	25	-30.3	0	0	0	109.9	L329 Q333	L329-P331 WeakPolarHBondContact O-CD 3.33Å; P331-Q333 PolarHBondContact O-N 3.4Å
332	T	39.3	Very low	30.8	Very low	105 Å²	105	106.1 Å²	106.1	64%	0.644	62%	0.616	S	S	*	*	S	Bend	trans	-72.2	-3.6	-177.8	49.9	0	0	0	0	114.5	V330	V330-T332 PolarHBondContact O-N 3Å
333	Q	32.5	Very low	30.5	Very low	128 Å²	128	108.1 Å²	108.1	60%	0.598	62%	0.616	S	S	*	*	S	Bend	trans	-125	105.3	164.7	-69.8	-170.9	-26.5	0	0	107.1	P331 P335	P331-Q333 PolarHBondContact O-N 3.4Å; Q333-P335 WeakPolarHBondContact O-CD 3.43Å
334	L	28.8	Very low	30.1	Very low	109 Å²	109	110.7 Å²	110.7	57%	0.571	63%	0.629	S	S	*	*			trans	-69.6	111.2	164.8	-81.9	154.1	0	0	0	106.2	D336 W338	L334-D336 PolarHBondContact O-N 3.35Å; L334-W338 HydrophobicContact CD2-CB 4.02Å
335	P	27.1	Very low	30.2	Very low	76 Å²	76	112.5 Å²	112.5	49%	0.494	63%	0.626	S	S	.	*			trans	-59	139.9	168.2	24.5	-31.1	0	0	0	108.2	Q333 Q337 W338	Q333-P335 WeakPolarHBondContact O-CD 3.43Å; P335-Q337 PolarHBondContact O-N 3.21Å; P335-W338 PolarHBondContact O-N 3.05Å
336	D	36	Very low	30	Very low	171 Å²	171	112.5 Å²	112.5	91%	0.914	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	-15.2	-175.3	-66.1	-40.5	0	0	0	114.4	L334 W338	L334-D336 PolarHBondContact O-N 3.35Å; D336-W338 VanDerWaalsContact C-N 3.26Å; D336-W338 PolarHBondContact O-N 2.98Å
337	Q	30.6	Very low	29.7	Very low	179 Å²	179	113.8 Å²	113.8	84%	0.836	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-5	174.7	-65.2	-175.4	-10.2	0	0	114.4	P335	P335-Q337 PolarHBondContact O-N 3.21Å
338	W	25.5	Very low	29.5	Very low	175 Å²	175	120.9 Å²	120.9	66%	0.663	65%	0.654	S	S	*	*			trans	-110.3	56	177.1	-76.4	48.9	0	0	0	111.7	L334 P335 D336 V341	L334-W338 HydrophobicContact CD2-CB 4.02Å; P335-W338 PolarHBondContact O-N 3.05Å; D336-W338 VanDerWaalsContact C-N 3.26Å; D336-W338 PolarHBondContact O-N 2.98Å; W338-V341 HydrophobicContact CE3-CG2 3.95Å; W338-V341 HydrophobicContact CZ3-CG2 4.45Å
339	G	30.6	Very low	29.1	Very low	63 Å²	63	121.4 Å²	121.4	65%	0.649	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	131.6	139.4	0	0	0	0	0	107.9
340	P	30.2	Very low	29.3	Very low	67 Å²	67	122.4 Å²	122.4	44%	0.435	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	cis	-132.1	113.4	-1.2	34.2	-12.9	0	0	0	112.7	V342 E343	P340-V342 PolarHBondContact O-N 2.83Å; P340-V342 VanDerWaalsContact O-N 3.11Å; P340-E343 HydrophobicContact CB-CG 4.3Å; P340-E343 HydrophobicContact CG-CB 4.11Å; P340-E343 HydrophobicContact CG-CG 3.75Å; P340-E343 PolarHBondContact O-N 2.86Å
341	V	25.7	Very low	29.1	Very low	77 Å²	77	122.2 Å²	122.2	47%	0.467	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.9	-10.7	165.4	177.1	0	0	0	0	111.7	W338 E343	W338-V341 HydrophobicContact CE3-CG2 3.95Å; W338-V341 HydrophobicContact CZ3-CG2 4.45Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 3.04Å
342	V	26.8	Very low	29.1	Very low	118 Å²	118	126 Å²	126	72%	0.715	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-25.8	173.3	-177.3	0	0	0	0	112.3	P340	P340-V342 PolarHBondContact O-N 2.83Å; P340-V342 VanDerWaalsContact O-N 3.11Å
343	E	25.1	Very low	28.4	Very low	134 Å²	134	133.1 Å²	133.1	63%	0.626	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-32.2	-179.6	-76.5	-176.2	170.9	0	0	113.1	P340 V341 I345 S346	P340-E343 HydrophobicContact CB-CG 4.3Å; P340-E343 HydrophobicContact CG-CB 4.11Å; P340-E343 HydrophobicContact CG-CG 3.75Å; P340-E343 PolarHBondContact O-N 2.86Å; V341-E343 VanDerWaalsContact C-N 3.28Å; V341-E343 PolarHBondContact O-N 3.04Å; E343-I345 PolarHBondContact O-N 3.31Å; E343-S346 PolarHBondContact O-N 3.38Å; E343-S346 PolarHBondContact O-OG 3.2Å
344	C	24.6	Very low	28.2	Very low	110 Å²	110	131 Å²	131	74%	0.743	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-17.7	177.4	-67.1	0	0	0	0	113.9	S346	C344-S346 VanDerWaalsContact C-N 3.33Å
345	I	28	Very low	28	Very low	120 Å²	120	132.4 Å²	132.4	62%	0.615	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-9.3	177.9	-54	173.8	0	0	0	110.9	E343 L355	E343-I345 PolarHBondContact O-N 3.31Å; I345-L355 HydrophobicContact CG2-CD2 4.27Å
346	S	27.3	Very low	28.1	Very low	83 Å²	83	134.4 Å²	134.4	58%	0.58	71%	0.709	S	S	*	*			trans	-91	-6.2	-174.5	72.3	0	0	0	0	115.3	E343 C344 R348	E343-S346 PolarHBondContact O-N 3.38Å; E343-S346 PolarHBondContact O-OG 3.2Å; C344-S346 VanDerWaalsContact C-N 3.33Å; S346-R348 VanDerWaalsContact C-N 3.35Å; S346-R348 PolarHBondContact O-N 3.16Å
347	E	25.4	Very low	27.9	Very low	173 Å²	173	128 Å²	128	81%	0.808	68%	0.68	S	S	*	*			trans	-73.8	93.7	169	-75.5	-171.6	163.4	0	0	109.4	D349	E347-D349 VanDerWaalsContact C-N 3.3Å; E347-D349 PolarHBondContact O-N 3Å
348	R	24.5	Very low	28	Very low	222 Å²	222	123.4 Å²	123.4	84%	0.838	67%	0.667	S	S	*	*			trans	-61.2	86	172	-70.4	-179.8	176.2	179.9	-1.5	110.2	S346 D350	S346-R348 VanDerWaalsContact C-N 3.35Å; S346-R348 PolarHBondContact O-N 3.16Å; R348-D350 PolarHBondContact O-N 3.49Å
349	D	26.3	Very low	28.4	Very low	128 Å²	128	118.9 Å²	118.9	68%	0.684	66%	0.658	S	S	*	*			trans	-86.1	101.5	155.8	-96.6	-19.6	0	0	0	108.7	E347 T351 H352	E347-D349 VanDerWaalsContact C-N 3.3Å; E347-D349 PolarHBondContact O-N 3Å; D349-T351 PolarHBondContact O-N 3.03Å; D349-H352 PolarHBondContact O-N 3.38Å
350	D	34	Very low	28.6	Very low	147 Å²	147	118.2 Å²	118.2	79%	0.786	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	1.5	-176	-79.1	-32.4	0	0	0	114.3	R348	R348-D350 PolarHBondContact O-N 3.49Å
351	T	33.4	Very low	28.9	Very low	114 Å²	114	117 Å²	117	70%	0.699	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-11.9	-178.5	51.4	0	0	0	0	114.3	D349	D349-T351 PolarHBondContact O-N 3.03Å
352	H	29.4	Very low	29.2	Very low	147 Å²	147	118.4 Å²	118.4	68%	0.681	63%	0.632	S	S	*	*			trans	-113.9	79.9	179.2	-66.3	-67.6	0	0	0	112.2	D349 A354	D349-H352 PolarHBondContact O-N 3.38Å; H352-A354 PolarHBondContact O-N 3.2Å
353	R	24.8	Very low	29.6	Very low	254 Å²	254	123.7 Å²	123.7	96%	0.958	64%	0.64	S	S	*	*			trans	-67.6	20.4	175.8	-80.5	-170.1	177.5	-176.9	0.1	115.8
354	A	27.5	Very low	29.9	Very low	84 Å²	84	125.2 Å²	125.2	69%	0.694	64%	0.644	S	S	*	*			trans	-125.1	75.1	170.5	0	0	0	0	0	108.9	H352	H352-A354 PolarHBondContact O-N 3.2Å
355	L	24.3	Very low	30.4	Very low	139 Å²	139	121.2 Å²	121.2	73%	0.728	62%	0.621	S	S	*	*			trans	-58	124.2	160.9	-83	160.2	0	0	0	107	I345 A357	I345-L355 HydrophobicContact CG2-CD2 4.27Å; L355-A357 PolarHBondContact O-N 3.47Å
356	P	29.6	Very low	30.8	Very low	117 Å²	117	119.3 Å²	119.3	76%	0.76	61%	0.611	S	S	*	*			trans	-64.1	127.4	-173.9	24	-30.7	0	0	0	108.8	C358	P356-C358 PolarHBondContact O-N 2.96Å
357	A	31.4	Very low	31.3	Very low	37 Å²	37	116.4 Å²	116.4	31%	0.306	59%	0.588	S	S	.	*			trans	-45.5	141.7	166.7	0	0	0	0	0	110.2	L355 V359 I368	L355-A357 PolarHBondContact O-N 3.47Å; A357-V359 WeakPolarHBondContact O-CG2 3.47Å; A357-V359 PolarHBondContact O-N 3.12Å; A357-I368 HydrophobicContact CB-CB 4.49Å; A357-I368 HydrophobicContact CB-CG2 3.25Å
358	C	32.9	Very low	32	Very low	83 Å²	83	113.5 Å²	113.5	56%	0.561	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.9	106.7	174.2	-171.6	0	0	0	0	108	P356 A369	P356-C358 PolarHBondContact O-N 2.96Å; C358-A369 PolarHBondContact O-N 2.66Å
359	V	35.2	Very low	32.7	Very low	80 Å²	80	103.6 Å²	103.6	49%	0.485	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.8	176.7	-172.9	0	0	0	0	107.8	A357 V361 I366 F367 I368	A357-V359 WeakPolarHBondContact O-CG2 3.47Å; A357-V359 PolarHBondContact O-N 3.12Å; V359-V361 HydrophobicContact CG1-CG2 3.8Å; V359-I366 HydrophobicContact CG1-CG2 3.52Å; V359-F367 WeakPolarHBondContact CA-O 2.96Å; V359-I368 HydrophobicContact CG2-CG1 4.41Å
360	V	34	Very low	33.3	Very low	48 Å²	48	103.8 Å²	103.8	29%	0.291	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.5	176	-163.7	0	0	0	0	108.2	F362 F367	V360-F362 HydrophobicContact CB-CE2 4.2Å; V360-F362 HydrophobicContact CG1-CD2 3.95Å; V360-F362 HydrophobicContact CG1-CE1 4.29Å; V360-F362 HydrophobicContact CG1-CE2 3.14Å; V360-F362 HydrophobicContact CG1-CZ 3.34Å; V360-F367 PolarHBondContact N-O 2.94Å; V360-F367 PolarHBondContact O-N 3.04Å
361	V	36.2	Very low	33.6	Very low	42 Å²	42	102.6 Å²	102.6	26%	0.255	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.5	-177.6	-173	0	0	0	0	110.2	F296 V359 I366	F296-V361 HydrophobicContact CE1-CG1 4.3Å; V359-V361 HydrophobicContact CG1-CG2 3.8Å; V361-I366 HydrophobicContact CG1-CG1 4.24Å; V361-I366 HydrophobicContact CG2-CG1 4.23Å; V361-I366 HydrophobicContact CG2-CG2 4.38Å
362	F	33.4	Very low	33.7	Very low	106 Å²	106	103.5 Å²	103.5	47%	0.465	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.6	174.3	-62.2	-70.7	0	0	0	111.5	V360 K364 G365 F391	V360-F362 HydrophobicContact CB-CE2 4.2Å; V360-F362 HydrophobicContact CG1-CD2 3.95Å; V360-F362 HydrophobicContact CG1-CE1 4.29Å; V360-F362 HydrophobicContact CG1-CE2 3.14Å; V360-F362 HydrophobicContact CG1-CZ 3.34Å; F362-K364 PolarHBondContact O-N 3.33Å; F362-G365 PolarHBondContact N-O 3.18Å; F362-G365 PolarHBondContact O-N 3.22Å; F362-G365 VanDerWaalsContact O-O 3.12Å; F362-F391 HydrophobicContact CB-CD1 4.18Å; F362-F391 HydrophobicContact CB-CE1 3.2Å; F362-F391 HydrophobicContact CB-CZ 3.42Å; F362-F391 VanDerWaalsContact CB-CZ 3.42Å; F362-F391 HydrophobicContact CD1-CE1 4.13Å; F362-F391 AromaticContact CD2-CD1 3.42Å; F362-F391 HydrophobicContact CD2-CD1 3.42Å; F362-F391 VanDerWaalsContact CD2-CD1 3.42Å; F362-F391 AromaticContact CD2-CE1 3.35Å; F362-F391 HydrophobicContact CD2-CE1 3.35Å; F362-F391 HydrophobicContact CD2-CG 4.26Å; F362-F391 HydrophobicContact CD2-CZ 4.1Å; F362-F391 AromaticContact CE2-CD1 3.82Å; F362-F391 HydrophobicContact CE2-CD1 3.82Å; F362-F391 HydrophobicContact CE2-CE1 4.16Å; F362-F391 AromaticContact CG-CD1 3.86Å; F362-F391 HydrophobicContact CG-CD1 3.86Å; F362-F391 AromaticContact CG-CE1 3.31Å; F362-F391 HydrophobicContact CG-CE1 3.31Å; F362-F391 HydrophobicContact CG-CZ 4.03Å
363	R	34.1	Very low	34.5	Very low	230 Å²	230	99.5 Å²	99.5	87%	0.868	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-14	-174.3	-149.6	179.7	-173.2	-176.1	4.2	117.2
364	K	32.2	Very low	35.9	Very low	166 Å²	166	89.6 Å²	89.6	72%	0.722	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	11.2	-179.4	-65.4	-170.7	178	-178.8	0	115.5	F362	F362-K364 PolarHBondContact O-N 3.33Å
365	G	34.6	Very low	37	Very low	25 Å²	25	88.9 Å²	88.9	26%	0.258	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	171.1	176.5	0	0	0	0	0	115.7	F362	F362-G365 PolarHBondContact N-O 3.18Å; F362-G365 PolarHBondContact O-N 3.22Å; F362-G365 VanDerWaalsContact O-O 3.12Å
366	I	36	Very low	38.6	Very low	80 Å²	80	83.9 Å²	83.9	41%	0.41	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.4	-179.4	-58.2	171	0	0	0	107.8	I294 V359 V361 I368	I294-I366 HydrophobicContact CD1-CD1 3.35Å; V359-I366 HydrophobicContact CG1-CG2 3.52Å; V361-I366 HydrophobicContact CG1-CG1 4.24Å; V361-I366 HydrophobicContact CG2-CG1 4.23Å; V361-I366 HydrophobicContact CG2-CG2 4.38Å; I366-I368 HydrophobicContact CG2-CG1 4.42Å
367	F	38.8	Very low	40	Very low	23 Å²	23	81 Å²	81	10%	0.101	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.5	171.3	-178.3	-106.7	0	0	0	110.2	V359 V360 A369 V378 Q381 L382 L385	V359-F367 WeakPolarHBondContact CA-O 2.96Å; V360-F367 PolarHBondContact N-O 2.94Å; V360-F367 PolarHBondContact O-N 3.04Å; F367-A369 HydrophobicContact CD1-CB 4.18Å; F367-A369 HydrophobicContact CE1-CB 3.54Å; F367-A369 HydrophobicContact CZ-CB 4.3Å; F367-V378 HydrophobicContact CE1-CG1 4.46Å; F367-Q381 HydrophobicContact CZ-CB 4.28Å; F367-L382 HydrophobicContact CD1-CD2 3.95Å; F367-L382 HydrophobicContact CD2-CD2 3.78Å; F367-L382 HydrophobicContact CE1-CD2 3.97Å; F367-L382 HydrophobicContact CE1-CG 4.39Å; F367-L382 HydrophobicContact CE2-CD2 3.84Å; F367-L382 HydrophobicContact CG-CD2 3.85Å; F367-L382 HydrophobicContact CZ-CD2 3.94Å; F367-L382 HydrophobicContact CZ-CG 4.26Å; F367-L385 HydrophobicContact CD2-CD1 3.88Å; F367-L385 HydrophobicContact CE2-CD1 3.82Å
368	I	38.8	Very low	41.1	Very low	112 Å²	112	80.2 Å²	80.2	57%	0.574	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.1	177.2	-62.6	-178.4	0	0	0	106	A357 V359 I366	A357-I368 HydrophobicContact CB-CB 4.49Å; A357-I368 HydrophobicContact CB-CG2 3.25Å; V359-I368 HydrophobicContact CG2-CG1 4.41Å; I366-I368 HydrophobicContact CG2-CG1 4.42Å
369	A	38.8	Very low	42.5	Very low	13 Å²	13	76.3 Å²	76.3	11%	0.107	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.4	178.3	0	0	0	0	0	111.2	C358 F367	C358-A369 PolarHBondContact O-N 2.66Å; F367-A369 HydrophobicContact CD1-CB 4.18Å; F367-A369 HydrophobicContact CE1-CB 3.54Å; F367-A369 HydrophobicContact CZ-CB 4.3Å
370	E	40.4	Very low	44	Very low	132 Å²	132	76.4 Å²	76.4	62%	0.617	40%	0.395	S	S	*	.			trans	-69.8	146.4	169.7	-75	-177.9	171.9	0	0	111.1	V372	E370-V372 VanDerWaalsContact C-N 3.29Å; E370-V372 PolarHBondContact O-N 2.64Å
371	P	40.2	Very low	45.3	Very low	123 Å²	123	76.2 Å²	76.2	80%	0.799	39%	0.39	S	S	*	.	S	Bend	trans	-72.6	-1.7	-159.5	24.7	-33.7	0	0	0	117.3
372	V	36.2	Very low	46.5	Very low	132 Å²	132	74.8 Å²	74.8	80%	0.8	38%	0.381	S	S	*	.	S	Bend	trans	-136.3	76	-173.5	-167.1	0	0	0	0	111.5	E370	E370-V372 VanDerWaalsContact C-N 3.29Å; E370-V372 PolarHBondContact O-N 2.64Å
373	Q	45.8	Very low	48.1	Very low	63 Å²	63	69.7 Å²	69.7	29%	0.294	36%	0.359	S	S	.	.			trans	-142.6	137.2	179.5	-73.1	-162.2	12.5	0	0	113.6	D377 V378 Q381	Q373-D377 HydrophobicContact CB-CB 3.76Å; Q373-D377 HydrophobicContact CG-CB 4.04Å; Q373-D377 PolarHBondContact OE1-O 2.81Å; Q373-V378 HydrophobicContact CB-CG2 3.92Å; Q373-Q381 VanDerWaalsContact CD-CD 3.48Å; Q373-Q381 VanDerWaalsContact OE1-CG 3.28Å
374	S	52.7	Low	49.7	Very low	47 Å²	47	64.9 Å²	64.9	33%	0.329	34%	0.341	S	S	.	.			trans	-62.8	159	172.5	72.1	0	0	0	0	110.7	T376 D377 V378	S374-T376 PolarHBondContact O-N 2.88Å; S374-T376 VanDerWaalsContact O-N 3.1Å; S374-D377 WeakPolarHBondContact CB-OD2 3.41Å; S374-D377 PolarHBondContact N-OD2 2.86Å; S374-D377 PolarHBondContact O-N 2.99Å; S374-D377 PolarHBondContact OG-N 2.89Å; S374-D377 PolarHBondContact OG-OD2 3.23Å; S374-V378 PolarHBondContact O-N 2.93Å
375	P	50.7	Low	51.1	Low	68 Å²	68	60.8 Å²	60.8	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-52.7	-34.9	175.5	-27.2	34.9	0	0	0	113.1	C379 W395 T399 L401	P375-C379 PolarHBondContact O-N 3.08Å; P375-C379 VanDerWaalsContact O-N 3.12Å; P375-W395 HydrophobicContact CB-CZ2 4.3Å; P375-W395 PolarHBondContact O-NE1 3.41Å; P375-T399 HydrophobicContact CB-CG2 4.07Å; P375-L401 HydrophobicContact CB-CD1 4.31Å
376	T	59.7	Low	52.3	Low	35 Å²	35	62.7 Å²	62.7	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-69.1	-40.8	176	-40.4	0	0	0	0	111.8	S374 C379 R380 L406	S374-T376 PolarHBondContact O-N 2.88Å; S374-T376 VanDerWaalsContact O-N 3.1Å; T376-C379 WeakPolarHBondContact O-CB 3.21Å; T376-C379 PolarHBondContact O-N 3.28Å; T376-R380 VanDerWaalsContact CG2-CZ 3.46Å; T376-R380 VanDerWaalsContact O-CG 3.3Å; T376-R380 WeakPolarHBondContact O-CG 3.36Å; T376-R380 PolarHBondContact O-N 3.04Å; T376-L406 HydrophobicContact CG2-CD1 4.31Å; T376-L406 HydrophobicContact CG2-CD2 3.79Å
377	D	59.1	Low	53.1	Low	57 Å²	57	67.1 Å²	67.1	31%	0.305	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-40.5	178.8	-65	-40.8	0	0	0	112.5	Q373 S374 C379 R380 Q381	Q373-D377 HydrophobicContact CB-CB 3.76Å; Q373-D377 HydrophobicContact CG-CB 4.04Å; Q373-D377 PolarHBondContact OE1-O 2.81Å; S374-D377 WeakPolarHBondContact CB-OD2 3.41Å; S374-D377 PolarHBondContact N-OD2 2.86Å; S374-D377 PolarHBondContact O-N 2.99Å; S374-D377 PolarHBondContact OG-N 2.89Å; S374-D377 PolarHBondContact OG-OD2 3.23Å; D377-C379 VanDerWaalsContact C-N 3.29Å; D377-C379 PolarHBondContact O-N 3.29Å; D377-R380 WeakPolarHBondContact O-CB 3.48Å; D377-R380 PolarHBondContact O-N 3.37Å; D377-R380 VanDerWaalsContact O-N 3.09Å; D377-R380 IonicContact OD1-CZ 3.91Å; D377-R380 IonicContact OD1-NH1 2.72Å; D377-R380 PolarHBondContact OD1-NH1 2.59Å; D377-Q381 WeakPolarHBondContact O-CG 3.46Å; D377-Q381 PolarHBondContact O-N 2.89Å
378	V	54	Low	53.9	Low	20 Å²	20	67.2 Å²	67.2	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-44.9	171.3	177.2	0	0	0	0	110.1	F367 Q373 S374 R380 Q381 L382 W395	F367-V378 HydrophobicContact CE1-CG1 4.46Å; Q373-V378 HydrophobicContact CB-CG2 3.92Å; S374-V378 PolarHBondContact O-N 2.93Å; V378-R380 VanDerWaalsContact C-N 3.34Å; V378-R380 PolarHBondContact O-N 3.02Å; V378-Q381 PolarHBondContact O-N 2.94Å; V378-L382 HydrophobicContact CG1-CD1 4.13Å; V378-L382 HydrophobicContact CG1-CG 4.47Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.02Å; V378-W395 HydrophobicContact CB-CZ2 3.88Å; V378-W395 HydrophobicContact CG1-CD2 4.28Å; V378-W395 HydrophobicContact CG1-CH2 4.22Å; V378-W395 HydrophobicContact CG1-CZ2 3.81Å; V378-W395 HydrophobicContact CG2-CZ2 4.25Å
379	C	61.8	Low	55.1	Low	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.9	-42.8	175	-168.7	0	0	0	0	111.9	P375 T376 D377 Q381 L382 L383 C396 L401	P375-C379 PolarHBondContact O-N 3.08Å; P375-C379 VanDerWaalsContact O-N 3.12Å; T376-C379 WeakPolarHBondContact O-CB 3.21Å; T376-C379 PolarHBondContact O-N 3.28Å; D377-C379 VanDerWaalsContact C-N 3.29Å; D377-C379 PolarHBondContact O-N 3.29Å; C379-Q381 VanDerWaalsContact C-N 3.32Å; C379-Q381 PolarHBondContact O-N 3.5Å; C379-L382 PolarHBondContact O-N 2.87Å; C379-L383 WeakPolarHBondContact O-CB 3.25Å; C379-L383 VanDerWaalsContact O-CG 3.27Å; C379-L383 WeakPolarHBondContact O-CG 3.46Å; C379-L383 PolarHBondContact O-N 3.31Å; C379-C396 PolarHBondContact SG-SG 2.99Å; C379-L401 HydrophobicContact CB-CD1 4.4Å
380	R	66.1	Low	56.1	Low	83 Å²	83	64.7 Å²	64.7	31%	0.313	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-38.5	177.6	-69.7	-179.4	-171.8	114.1	0.8	111.8	T376 D377 V378 R384 L406 M410	T376-R380 VanDerWaalsContact CG2-CZ 3.46Å; T376-R380 VanDerWaalsContact O-CG 3.3Å; T376-R380 WeakPolarHBondContact O-CG 3.36Å; T376-R380 PolarHBondContact O-N 3.04Å; D377-R380 WeakPolarHBondContact O-CB 3.48Å; D377-R380 PolarHBondContact O-N 3.37Å; D377-R380 VanDerWaalsContact O-N 3.09Å; D377-R380 IonicContact OD1-CZ 3.91Å; D377-R380 IonicContact OD1-NH1 2.72Å; D377-R380 PolarHBondContact OD1-NH1 2.59Å; V378-R380 VanDerWaalsContact C-N 3.34Å; V378-R380 PolarHBondContact O-N 3.02Å; R380-R384 PolarHBondContact O-N 2.89Å; R380-L406 HydrophobicContact CG-CD2 4.43Å; R380-M410 VanDerWaalsContact CA-CE 3.4Å; R380-M410 HydrophobicContact CB-CE 3.39Å; R380-M410 HydrophobicContact CG-CE 3.64Å; R380-M410 VanDerWaalsContact O-CE 3.26Å; R380-M410 WeakPolarHBondContact O-CE 3.4Å
381	Q	62.2	Low	56.7	Low	43 Å²	43	60.3 Å²	60.3	20%	0.201	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-42.6	173.9	-73	-165.2	-25.3	0	0	112.4	F367 Q373 D377 V378 C379 L383 R384 L385	F367-Q381 HydrophobicContact CZ-CB 4.28Å; Q373-Q381 VanDerWaalsContact CD-CD 3.48Å; Q373-Q381 VanDerWaalsContact OE1-CG 3.28Å; D377-Q381 WeakPolarHBondContact O-CG 3.46Å; D377-Q381 PolarHBondContact O-N 2.89Å; V378-Q381 PolarHBondContact O-N 2.94Å; C379-Q381 VanDerWaalsContact C-N 3.32Å; C379-Q381 PolarHBondContact O-N 3.5Å; Q381-L383 VanDerWaalsContact C-N 3.33Å; Q381-L383 PolarHBondContact O-N 3.45Å; Q381-R384 WeakPolarHBondContact O-CB 3.47Å; Q381-R384 PolarHBondContact O-N 2.95Å; Q381-L385 PolarHBondContact O-N 3.24Å
382	L	61.6	Low	57.6	Low	12 Å²	12	54.4 Å²	54.4	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-41.6	175.2	-72.1	171.1	0	0	0	111.5	F367 V378 C379 L385 H388 A392 W395	F367-L382 HydrophobicContact CD1-CD2 3.95Å; F367-L382 HydrophobicContact CD2-CD2 3.78Å; F367-L382 HydrophobicContact CE1-CD2 3.97Å; F367-L382 HydrophobicContact CE1-CG 4.39Å; F367-L382 HydrophobicContact CE2-CD2 3.84Å; F367-L382 HydrophobicContact CG-CD2 3.85Å; F367-L382 HydrophobicContact CZ-CD2 3.94Å; F367-L382 HydrophobicContact CZ-CG 4.26Å; V378-L382 HydrophobicContact CG1-CD1 4.13Å; V378-L382 HydrophobicContact CG1-CG 4.47Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.02Å; C379-L382 PolarHBondContact O-N 2.87Å; L382-L385 PolarHBondContact O-N 3.48Å; L382-H388 HydrophobicContact CD2-CB 4.36Å; L382-A392 HydrophobicContact CB-CB 3.92Å; L382-W395 HydrophobicContact CD1-CB 4.13Å; L382-W395 HydrophobicContact CD1-CG 4.24Å
383	L	67.3	Low	58.8	Low	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-38.1	176.2	-72.6	174	0	0	0	111.5	C379 Q381 L385 F389 A392 F403 L406 M410 F414 M426	C379-L383 WeakPolarHBondContact O-CB 3.25Å; C379-L383 VanDerWaalsContact O-CG 3.27Å; C379-L383 WeakPolarHBondContact O-CG 3.46Å; C379-L383 PolarHBondContact O-N 3.31Å; Q381-L383 VanDerWaalsContact C-N 3.33Å; Q381-L383 PolarHBondContact O-N 3.45Å; L383-L385 PolarHBondContact O-N 3.48Å; L383-L385 VanDerWaalsContact O-N 3.14Å; L383-F389 HydrophobicContact CD2-CD1 3.77Å; L383-F389 HydrophobicContact CD2-CE1 4.24Å; L383-F389 WeakPolarHBondContact O-CE1 3.47Å; L383-A392 HydrophobicContact CD2-CB 3.5Å; L383-A392 VanDerWaalsContact CD2-CB 3.5Å; L383-A392 HydrophobicContact CG-CB 3.71Å; L383-F403 HydrophobicContact CD2-CE2 3.84Å; L383-F403 HydrophobicContact CD2-CZ 4.41Å; L383-L406 HydrophobicContact CD1-CB 4.37Å; L383-M410 HydrophobicContact CB-CE 4.19Å; L383-M410 HydrophobicContact CB-CG 4.02Å; L383-M410 HydrophobicContact CD1-CB 4.43Å; L383-M410 HydrophobicContact CD1-CG 3.76Å; L383-F414 WeakPolarHBondContact O-CZ 3.36Å; L383-M426 HydrophobicContact CD2-CE 3.63Å; L383-M426 HydrophobicContact CD2-SD 4.09Å
384	R	66.2	Low	59.2	Low	128 Å²	128	50.3 Å²	50.3	48%	0.483	25%	0.25	S	S	.	.	H	α-helix	trans	-56	-30.8	173.5	-83.9	179.1	163.9	172.1	-4.6	113.3	R380 Q381 Y386	R380-R384 PolarHBondContact O-N 2.89Å; Q381-R384 WeakPolarHBondContact O-CB 3.47Å; Q381-R384 PolarHBondContact O-N 2.95Å; R384-Y386 PolarHBondContact O-N 3.45Å
385	L	62.2	Low	59.2	Low	80 Å²	80	52.2 Å²	52.2	42%	0.419	25%	0.25	S	S	.	.	S	Bend	trans	-89.5	97.1	176.8	-58.4	170.1	0	0	0	109.6	F367 Q381 L382 L383 R387 H388	F367-L385 HydrophobicContact CD2-CD1 3.88Å; F367-L385 HydrophobicContact CE2-CD1 3.82Å; Q381-L385 PolarHBondContact O-N 3.24Å; L382-L385 PolarHBondContact O-N 3.48Å; L383-L385 PolarHBondContact O-N 3.48Å; L383-L385 VanDerWaalsContact O-N 3.14Å; L385-R387 PolarHBondContact O-N 3.21Å; L385-H388 PolarHBondContact O-N 3.11Å
386	Y	59.1	Low	59.7	Low	66 Å²	66	49 Å²	49	26%	0.259	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-21.6	-175.5	-44.1	-45.7	0	0	0	116.5	R384 H388 F389 F414 E419	R384-Y386 PolarHBondContact O-N 3.45Å; Y386-H388 VanDerWaalsContact C-N 3.3Å; Y386-F389 HydrophobicContact CD1-CZ 4.26Å; Y386-F414 HydrophobicContact CD1-CE1 4.42Å; Y386-F414 HydrophobicContact CD1-CZ 4.16Å; Y386-F414 HydrophobicContact CE1-CD1 4.21Å; Y386-F414 AromaticContact CE1-CE1 3.73Å; Y386-F414 HydrophobicContact CE1-CE1 3.73Å; Y386-F414 AromaticContact CE1-CZ 3.92Å; Y386-F414 HydrophobicContact CE1-CZ 3.92Å; Y386-E419 WeakPolarHBondContact CE1-OE2 3.46Å; Y386-E419 WeakPolarHBondContact OH-CB 3.35Å; Y386-E419 WeakPolarHBondContact OH-CG 3.44Å; Y386-E419 PolarHBondContact OH-OE2 3.36Å
387	R	52.8	Low	59.6	Low	173 Å²	173	52.8 Å²	52.8	65%	0.653	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.8	178.5	-61	-172.8	-170.6	-174.8	7.3	113.6	K2 L385	K2-R387 VanDerWaalsContact CD-NH2 3.26Å; K2-R387 VanDerWaalsContact NZ-NH2 3.13Å; L385-R387 PolarHBondContact O-N 3.21Å
388	H	56.2	Low	59.2	Low	25 Å²	25	54 Å²	54	12%	0.116	27%	0.266	C	S	.	.			trans	-116.9	15.6	-168.5	-60.2	-86.9	0	0	0	114.5	L382 L385 Y386 S390 F391 A392	L382-H388 HydrophobicContact CD2-CB 4.36Å; L385-H388 PolarHBondContact O-N 3.11Å; Y386-H388 VanDerWaalsContact C-N 3.3Å; H388-S390 VanDerWaalsContact C-N 3.28Å; H388-S390 PolarHBondContact O-N 3.24Å; H388-F391 HydrophobicContact CB-CB 4.27Å; H388-F391 HydrophobicContact CB-CD2 3.87Å; H388-F391 AromaticContact CG-CD2 3.91Å; H388-F391 AromaticContact ND1-CD2 3.26Å; H388-F391 VanDerWaalsContact ND1-CD2 3.26Å; H388-F391 WeakPolarHBondContact ND1-CD2 3.32Å; H388-F391 AromaticContact ND1-CE2 3.64Å; H388-F391 CarbonylContact O-C 3.58Å; H388-F391 WeakPolarHBondContact O-CA 3.47Å; H388-F391 WeakPolarHBondContact O-CB 3.36Å; H388-F391 PolarHBondContact O-N 3.37Å; H388-A392 PolarHBondContact O-N 3.16Å
389	F	64	Low	59.2	Low	14 Å²	14	55.3 Å²	55.3	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-55	-40	175.8	-63.6	-29.4	0	0	0	113.8	L383 Y386 F391 A392 E393 F414 K425 M426 R429	L383-F389 HydrophobicContact CD2-CD1 3.77Å; L383-F389 HydrophobicContact CD2-CE1 4.24Å; L383-F389 WeakPolarHBondContact O-CE1 3.47Å; Y386-F389 HydrophobicContact CD1-CZ 4.26Å; F389-F391 PolarHBondContact O-N 3.35Å; F389-A392 PolarHBondContact O-N 2.94Å; F389-E393 WeakPolarHBondContact O-CB 3.25Å; F389-E393 PolarHBondContact O-N 3.04Å; F389-F414 HydrophobicContact CE1-CE2 4.24Å; F389-F414 HydrophobicContact CZ-CE2 4.15Å; F389-K425 HydrophobicContact CD2-CB 4.32Å; F389-K425 HydrophobicContact CE2-CB 3.56Å; F389-M426 HydrophobicContact CD1-SD 3.86Å; F389-M426 HydrophobicContact CD2-SD 4.21Å; F389-M426 HydrophobicContact CE1-SD 3.75Å; F389-M426 HydrophobicContact CE2-CB 4.23Å; F389-M426 HydrophobicContact CE2-SD 4.14Å; F389-M426 HydrophobicContact CG-SD 4.08Å; F389-M426 HydrophobicContact CZ-CB 4.03Å; F389-M426 HydrophobicContact CZ-SD 3.92Å; F389-R429 HydrophobicContact CB-CG 4.26Å
390	S	59.7	Low	59.4	Low	58 Å²	58	64.1 Å²	64.1	41%	0.406	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-29.2	174.7	54.2	0	0	0	0	113.1	H388 A394	H388-S390 VanDerWaalsContact C-N 3.28Å; H388-S390 PolarHBondContact O-N 3.24Å; S390-A394 WeakPolarHBondContact O-CB 3.25Å; S390-A394 PolarHBondContact O-N 3.12Å; S390-A394 VanDerWaalsContact O-N 3.08Å
391	F	53.1	Low	59.8	Low	39 Å²	39	62.2 Å²	62.2	17%	0.171	31%	0.311	C	S	.	.	H	α-helix	trans	-79.2	-39.3	176.2	-63.2	-65.9	0	0	0	111.5	F362 H388 F389 E393 A394 W395	F362-F391 HydrophobicContact CB-CD1 4.18Å; F362-F391 HydrophobicContact CB-CE1 3.2Å; F362-F391 HydrophobicContact CB-CZ 3.42Å; F362-F391 VanDerWaalsContact CB-CZ 3.42Å; F362-F391 HydrophobicContact CD1-CE1 4.13Å; F362-F391 AromaticContact CD2-CD1 3.42Å; F362-F391 HydrophobicContact CD2-CD1 3.42Å; F362-F391 VanDerWaalsContact CD2-CD1 3.42Å; F362-F391 AromaticContact CD2-CE1 3.35Å; F362-F391 HydrophobicContact CD2-CE1 3.35Å; F362-F391 HydrophobicContact CD2-CG 4.26Å; F362-F391 HydrophobicContact CD2-CZ 4.1Å; F362-F391 AromaticContact CE2-CD1 3.82Å; F362-F391 HydrophobicContact CE2-CD1 3.82Å; F362-F391 HydrophobicContact CE2-CE1 4.16Å; F362-F391 AromaticContact CG-CD1 3.86Å; F362-F391 HydrophobicContact CG-CD1 3.86Å; F362-F391 AromaticContact CG-CE1 3.31Å; F362-F391 HydrophobicContact CG-CE1 3.31Å; F362-F391 HydrophobicContact CG-CZ 4.03Å; H388-F391 HydrophobicContact CB-CB 4.27Å; H388-F391 HydrophobicContact CB-CD2 3.87Å; H388-F391 AromaticContact CG-CD2 3.91Å; H388-F391 AromaticContact ND1-CD2 3.26Å; H388-F391 VanDerWaalsContact ND1-CD2 3.26Å; H388-F391 WeakPolarHBondContact ND1-CD2 3.32Å; H388-F391 AromaticContact ND1-CE2 3.64Å; H388-F391 CarbonylContact O-C 3.58Å; H388-F391 WeakPolarHBondContact O-CA 3.47Å; H388-F391 WeakPolarHBondContact O-CB 3.36Å; H388-F391 PolarHBondContact O-N 3.37Å; F389-F391 PolarHBondContact O-N 3.35Å; F391-E393 VanDerWaalsContact C-N 3.29Å; F391-E393 PolarHBondContact O-N 2.88Å; F391-A394 PolarHBondContact O-N 3.46Å; F391-W395 VanDerWaalsContact O-CB 3.23Å; F391-W395 WeakPolarHBondContact O-CB 3.38Å; F391-W395 PolarHBondContact O-N 3.39Å
392	A	59.5	Low	60.6	Low	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-40.6	170.6	0	0	0	0	0	111.3	L382 L383 H388 F389 W395 C396 F403	L382-A392 HydrophobicContact CB-CB 3.92Å; L383-A392 HydrophobicContact CD2-CB 3.5Å; L383-A392 VanDerWaalsContact CD2-CB 3.5Å; L383-A392 HydrophobicContact CG-CB 3.71Å; H388-A392 PolarHBondContact O-N 3.16Å; F389-A392 PolarHBondContact O-N 2.94Å; A392-W395 WeakPolarHBondContact O-CB 3.08Å; A392-W395 PolarHBondContact O-N 2.9Å; A392-C396 WeakPolarHBondContact O-CB 3.32Å; A392-C396 PolarHBondContact O-N 3.34Å; A392-C396 PolarHBondContact O-SG 3.47Å; A392-C396 VanDerWaalsContact O-SG 3.39Å; A392-F403 HydrophobicContact CB-CE2 4.12Å
393	E	60.7	Low	61.4	Low	56 Å²	56	64.8 Å²	64.8	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-46	174.6	-170.8	-179.8	176.4	0	0	112	F389 F391 W395 C396 N397 F403 R429	F389-E393 WeakPolarHBondContact O-CB 3.25Å; F389-E393 PolarHBondContact O-N 3.04Å; F391-E393 VanDerWaalsContact C-N 3.29Å; F391-E393 PolarHBondContact O-N 2.88Å; E393-W395 VanDerWaalsContact C-N 3.3Å; E393-W395 PolarHBondContact O-N 2.8Å; E393-C396 WeakPolarHBondContact O-CB 3.36Å; E393-C396 PolarHBondContact O-N 3.39Å; E393-N397 WeakPolarHBondContact O-CB 3.41Å; E393-N397 PolarHBondContact O-N 3.34Å; E393-N397 PolarHBondContact O-ND2 2.89Å; E393-F403 VanDerWaalsContact CA-CD2 3.45Å; E393-F403 HydrophobicContact CB-CD1 4.41Å; E393-F403 HydrophobicContact CB-CD2 3.79Å; E393-F403 HydrophobicContact CB-CE1 4.32Å; E393-F403 HydrophobicContact CB-CE2 3.66Å; E393-F403 HydrophobicContact CB-CG 4.15Å; E393-F403 HydrophobicContact CB-CZ 3.93Å; E393-F403 HydrophobicContact CG-CD1 4.11Å; E393-F403 HydrophobicContact CG-CD2 4.22Å; E393-F403 HydrophobicContact CG-CE1 4.29Å; E393-F403 HydrophobicContact CG-CE2 4.38Å; E393-F403 HydrophobicContact CG-CG 4.06Å; E393-F403 HydrophobicContact CG-CZ 4.41Å; E393-R429 IonicContact OE2-CZ 3.21Å; E393-R429 IonicContact OE2-NE 3.26Å; E393-R429 PolarHBondContact OE2-NE 3.02Å; E393-R429 IonicContact OE2-NH2 2.66Å; E393-R429 PolarHBondContact OE2-NH2 3.03Å
394	A	54.8	Low	62.2	Low	53 Å²	53	68.1 Å²	68.1	44%	0.438	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-37.9	174.4	0	0	0	0	0	112.3	S390 F391 N397 A398	S390-A394 WeakPolarHBondContact O-CB 3.25Å; S390-A394 PolarHBondContact O-N 3.12Å; S390-A394 VanDerWaalsContact O-N 3.08Å; F391-A394 PolarHBondContact O-N 3.46Å; A394-N397 PolarHBondContact O-N 3.49Å; A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.11Å
395	W	52.3	Low	63	Low	87 Å²	87	65 Å²	65	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-46.4	174.6	178.7	-92.7	0	0	0	111.5	P375 V378 L382 F391 A392 E393 N397 A398 T399	P375-W395 HydrophobicContact CB-CZ2 4.3Å; P375-W395 PolarHBondContact O-NE1 3.41Å; V378-W395 HydrophobicContact CB-CZ2 3.88Å; V378-W395 HydrophobicContact CG1-CD2 4.28Å; V378-W395 HydrophobicContact CG1-CH2 4.22Å; V378-W395 HydrophobicContact CG1-CZ2 3.81Å; V378-W395 HydrophobicContact CG2-CZ2 4.25Å; L382-W395 HydrophobicContact CD1-CB 4.13Å; L382-W395 HydrophobicContact CD1-CG 4.24Å; F391-W395 VanDerWaalsContact O-CB 3.23Å; F391-W395 WeakPolarHBondContact O-CB 3.38Å; F391-W395 PolarHBondContact O-N 3.39Å; A392-W395 WeakPolarHBondContact O-CB 3.08Å; A392-W395 PolarHBondContact O-N 2.9Å; E393-W395 VanDerWaalsContact C-N 3.3Å; E393-W395 PolarHBondContact O-N 2.8Å; W395-N397 VanDerWaalsContact C-N 3.3Å; W395-N397 PolarHBondContact O-N 3.4Å; W395-A398 PolarHBondContact O-N 3.31Å; W395-T399 HydrophobicContact CD2-CG2 4.06Å; W395-T399 HydrophobicContact CG-CG2 4.41Å; W395-T399 HydrophobicContact CZ2-CG2 3.95Å; W395-T399 WeakPolarHBondContact O-CB 3.18Å; W395-T399 WeakPolarHBondContact O-CG2 3.48Å; W395-T399 PolarHBondContact O-N 3.26Å; W395-T399 PolarHBondContact O-OG1 3.33Å
396	C	61.3	Low	63.8	Low	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56	-45.5	172.2	-82	0	0	0	0	111.3	C379 A392 E393 A398 T399 Q400 L401 F403	C379-C396 PolarHBondContact SG-SG 2.99Å; A392-C396 WeakPolarHBondContact O-CB 3.32Å; A392-C396 PolarHBondContact O-N 3.34Å; A392-C396 PolarHBondContact O-SG 3.47Å; A392-C396 VanDerWaalsContact O-SG 3.39Å; E393-C396 WeakPolarHBondContact O-CB 3.36Å; E393-C396 PolarHBondContact O-N 3.39Å; C396-A398 PolarHBondContact O-N 3.05Å; C396-T399 CarbonylContact O-C 3.44Å; C396-T399 PolarHBondContact O-N 3.18Å; C396-Q400 CarbonylContact O-C 3.53Å; C396-Q400 VanDerWaalsContact O-CA 3.29Å; C396-Q400 WeakPolarHBondContact O-CA 3.42Å; C396-Q400 PolarHBondContact O-N 3.34Å; C396-L401 HydrophobicContact CB-CB 4.19Å; C396-L401 WeakPolarHBondContact CB-O 3.39Å; C396-L401 PolarHBondContact O-N 2.94Å; C396-F403 HydrophobicContact CB-CB 3.91Å; C396-F403 HydrophobicContact CB-CD2 4.37Å
397	N	58.8	Low	65	Low	115 Å²	115	58.5 Å²	58.5	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-41.4	176.6	-68.7	-24.2	0	0	0	112.2	E393 A394 W395	E393-N397 WeakPolarHBondContact O-CB 3.41Å; E393-N397 PolarHBondContact O-N 3.34Å; E393-N397 PolarHBondContact O-ND2 2.89Å; A394-N397 PolarHBondContact O-N 3.49Å; W395-N397 VanDerWaalsContact C-N 3.3Å; W395-N397 PolarHBondContact O-N 3.4Å
398	A	49.3	Very low	66.4	Low	83 Å²	83	55.5 Å²	55.5	69%	0.686	31%	0.31	S	S	*	.	H	α-helix	trans	-71.3	-33	178.9	0	0	0	0	0	113	A394 W395 C396	A394-A398 WeakPolarHBondContact O-CB 3.41Å; A394-A398 PolarHBondContact O-N 3.11Å; W395-A398 PolarHBondContact O-N 3.31Å; C396-A398 PolarHBondContact O-N 3.05Å
399	T	55.4	Low	67.7	Low	46 Å²	46	59.6 Å²	59.6	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-98.6	2.3	-178.3	58.5	0	0	0	0	113.4	P375 W395 C396 L401	P375-T399 HydrophobicContact CB-CG2 4.07Å; W395-T399 HydrophobicContact CD2-CG2 4.06Å; W395-T399 HydrophobicContact CG-CG2 4.41Å; W395-T399 HydrophobicContact CZ2-CG2 3.95Å; W395-T399 WeakPolarHBondContact O-CB 3.18Å; W395-T399 WeakPolarHBondContact O-CG2 3.48Å; W395-T399 PolarHBondContact O-N 3.26Å; W395-T399 PolarHBondContact O-OG1 3.33Å; C396-T399 CarbonylContact O-C 3.44Å; C396-T399 PolarHBondContact O-N 3.18Å; T399-L401 VanDerWaalsContact C-N 3.25Å; T399-L401 PolarHBondContact O-N 2.82Å; T399-L401 WeakPolarHBondContact OG1-CD1 3.41Å; T399-L401 WeakPolarHBondContact OG1-CG 3.42Å
400	Q	66.1	Low	68.5	Low	185 Å²	185	59.2 Å²	59.2	86%	0.864	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	29	-176.8	-54.9	177.5	-2.4	0	0	114.6	C396	C396-Q400 CarbonylContact O-C 3.53Å; C396-Q400 VanDerWaalsContact O-CA 3.29Å; C396-Q400 WeakPolarHBondContact O-CA 3.42Å; C396-Q400 PolarHBondContact O-N 3.34Å
401	L	73	Confident	69.6	Low	43 Å²	43	56.5 Å²	56.5	23%	0.225	31%	0.308	C	S	.	.			trans	-83.6	145.3	172.2	-64.6	171.1	0	0	0	110.8	P375 C379 C396 T399 F403 L406	P375-L401 HydrophobicContact CB-CD1 4.31Å; C379-L401 HydrophobicContact CB-CD1 4.4Å; C396-L401 HydrophobicContact CB-CB 4.19Å; C396-L401 WeakPolarHBondContact CB-O 3.39Å; C396-L401 PolarHBondContact O-N 2.94Å; T399-L401 VanDerWaalsContact C-N 3.25Å; T399-L401 PolarHBondContact O-N 2.82Å; T399-L401 WeakPolarHBondContact OG1-CD1 3.41Å; T399-L401 WeakPolarHBondContact OG1-CG 3.42Å; L401-F403 PolarHBondContact O-N 2.97Å; L401-L406 HydrophobicContact CB-CD1 4.08Å; L401-L406 HydrophobicContact CD1-CD1 4.42Å
402	D	79.6	Confident	71.1	Confident	94 Å²	94	58 Å²	58	50%	0.503	32%	0.318	S	S	.	.			trans	-76	107.2	172.8	-178.4	10.4	0	0	0	111	C404 S405 L406	D402-C404 VanDerWaalsContact C-N 3.31Å; D402-C404 PolarHBondContact O-N 2.8Å; D402-C404 PolarHBondContact OD1-N 3.36Å; D402-S405 PolarHBondContact O-OG 2.95Å; D402-S405 PolarHBondContact OD2-OG 2.81Å; D402-L406 WeakPolarHBondContact O-CD1 3.32Å; D402-L406 PolarHBondContact O-N 2.84Å
403	F	79.2	Confident	72.2	Confident	16 Å²	16	61.2 Å²	61.2	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-32.3	178.4	-179.5	-100.5	0	0	0	112.8	L383 A392 E393 C396 L401 G407 M426 R429 L430	L383-F403 HydrophobicContact CD2-CE2 3.84Å; L383-F403 HydrophobicContact CD2-CZ 4.41Å; A392-F403 HydrophobicContact CB-CE2 4.12Å; E393-F403 VanDerWaalsContact CA-CD2 3.45Å; E393-F403 HydrophobicContact CB-CD1 4.41Å; E393-F403 HydrophobicContact CB-CD2 3.79Å; E393-F403 HydrophobicContact CB-CE1 4.32Å; E393-F403 HydrophobicContact CB-CE2 3.66Å; E393-F403 HydrophobicContact CB-CG 4.15Å; E393-F403 HydrophobicContact CB-CZ 3.93Å; E393-F403 HydrophobicContact CG-CD1 4.11Å; E393-F403 HydrophobicContact CG-CD2 4.22Å; E393-F403 HydrophobicContact CG-CE1 4.29Å; E393-F403 HydrophobicContact CG-CE2 4.38Å; E393-F403 HydrophobicContact CG-CG 4.06Å; E393-F403 HydrophobicContact CG-CZ 4.41Å; C396-F403 HydrophobicContact CB-CB 3.91Å; C396-F403 HydrophobicContact CB-CD2 4.37Å; L401-F403 PolarHBondContact O-N 2.97Å; F403-G407 WeakPolarHBondContact O-CA 3.49Å; F403-G407 PolarHBondContact O-N 3.19Å; F403-M426 HydrophobicContact CE1-CE 4.08Å; F403-M426 HydrophobicContact CE2-CE 4.1Å; F403-M426 HydrophobicContact CZ-CE 3.64Å; F403-R429 HydrophobicContact CE1-CG 4.22Å; F403-R429 HydrophobicContact CZ-CG 4.16Å; F403-L430 HydrophobicContact CE1-CD2 4.39Å
404	C	83.3	Confident	73.2	Confident	70 Å²	70	58.6 Å²	58.6	47%	0.473	32%	0.319	S	S	.	.	H	α-helix	trans	-69.7	-48	-175.2	-64.4	0	0	0	0	110.8	D402 G407 E408 L430	D402-C404 VanDerWaalsContact C-N 3.31Å; D402-C404 PolarHBondContact O-N 2.8Å; D402-C404 PolarHBondContact OD1-N 3.36Å; C404-G407 PolarHBondContact O-N 3.5Å; C404-E408 PolarHBondContact O-N 3.18Å; C404-L430 HydrophobicContact CB-CD2 4.47Å
405	S	82.4	Confident	74.5	Confident	61 Å²	61	56.2 Å²	56.2	43%	0.427	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-46.3	178.6	69.1	0	0	0	0	112.5	D402 G407 E408 E409	D402-S405 PolarHBondContact O-OG 2.95Å; D402-S405 PolarHBondContact OD2-OG 2.81Å; S405-G407 PolarHBondContact O-N 3.44Å; S405-E408 PolarHBondContact O-N 3.27Å; S405-E409 PolarHBondContact O-N 3.06Å; S405-E409 VanDerWaalsContact O-N 3.1Å
406	L	80	Confident	75.8	Confident	11 Å²	11	58.4 Å²	58.4	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-32.8	175.8	-84.2	157.8	0	0	0	111.4	T376 R380 L383 L401 D402 M410	T376-L406 HydrophobicContact CG2-CD1 4.31Å; T376-L406 HydrophobicContact CG2-CD2 3.79Å; R380-L406 HydrophobicContact CG-CD2 4.43Å; L383-L406 HydrophobicContact CD1-CB 4.37Å; L401-L406 HydrophobicContact CB-CD1 4.08Å; L401-L406 HydrophobicContact CD1-CD1 4.42Å; D402-L406 WeakPolarHBondContact O-CD1 3.32Å; D402-L406 PolarHBondContact O-N 2.84Å; L406-M410 WeakPolarHBondContact O-CB 3.44Å; L406-M410 WeakPolarHBondContact O-CG 3.32Å; L406-M410 PolarHBondContact O-N 3.18Å
407	G	82.9	Confident	76.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-74.6	-40.5	-179.4	0	0	0	0	0	114.6	F403 C404 S405 M410 A411 M426	F403-G407 WeakPolarHBondContact O-CA 3.49Å; F403-G407 PolarHBondContact O-N 3.19Å; C404-G407 PolarHBondContact O-N 3.5Å; S405-G407 PolarHBondContact O-N 3.44Å; G407-M410 PolarHBondContact O-N 3.03Å; G407-A411 WeakPolarHBondContact O-CB 3.13Å; G407-A411 PolarHBondContact O-N 3.33Å; G407-M426 WeakPolarHBondContact O-CG 3.33Å
408	E	83.5	Confident	77.8	Confident	110 Å²	110	62.9 Å²	62.9	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-41.3	172.1	-72.7	-178.1	178.1	0	0	111.2	C404 S405 M410 A411 N412 L430	C404-E408 PolarHBondContact O-N 3.18Å; S405-E408 PolarHBondContact O-N 3.27Å; E408-M410 VanDerWaalsContact C-N 3.32Å; E408-M410 PolarHBondContact O-N 3.06Å; E408-A411 PolarHBondContact O-N 3.41Å; E408-N412 PolarHBondContact O-N 3.43Å; E408-N412 PolarHBondContact O-ND2 2.96Å; E408-L430 HydrophobicContact CG-CD1 3.91Å
409	E	83.1	Confident	79.2	Confident	110 Å²	110	62.3 Å²	62.3	51%	0.514	32%	0.317	S	S	.	.	H	α-helix	trans	-58	-45.9	173.2	-169.6	-170.5	164.6	0	0	110.9	S405 N412 K413	S405-E409 PolarHBondContact O-N 3.06Å; S405-E409 VanDerWaalsContact O-N 3.1Å; E409-N412 PolarHBondContact O-N 2.68Å; E409-K413 WeakPolarHBondContact O-CB 3.43Å; E409-K413 PolarHBondContact O-N 2.82Å
410	M	81.1	Confident	80.4	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.034	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-37.7	177.1	-81	-64.8	-167.4	0	0	113.5	R380 L383 L406 G407 E408 N412 K413 F414	R380-M410 VanDerWaalsContact CA-CE 3.4Å; R380-M410 HydrophobicContact CB-CE 3.39Å; R380-M410 HydrophobicContact CG-CE 3.64Å; R380-M410 VanDerWaalsContact O-CE 3.26Å; R380-M410 WeakPolarHBondContact O-CE 3.4Å; L383-M410 HydrophobicContact CB-CE 4.19Å; L383-M410 HydrophobicContact CB-CG 4.02Å; L383-M410 HydrophobicContact CD1-CB 4.43Å; L383-M410 HydrophobicContact CD1-CG 3.76Å; L406-M410 WeakPolarHBondContact O-CB 3.44Å; L406-M410 WeakPolarHBondContact O-CG 3.32Å; L406-M410 PolarHBondContact O-N 3.18Å; G407-M410 PolarHBondContact O-N 3.03Å; E408-M410 VanDerWaalsContact C-N 3.32Å; E408-M410 PolarHBondContact O-N 3.06Å; M410-N412 VanDerWaalsContact C-N 3.35Å; M410-K413 PolarHBondContact O-N 3.33Å; M410-K413 HydrophobicContact SD-CD 4.07Å; M410-F414 HydrophobicContact CB-CE2 4.28Å; M410-F414 WeakPolarHBondContact O-CB 3.4Å; M410-F414 WeakPolarHBondContact O-CD2 3.17Å; M410-F414 VanDerWaalsContact O-CG 3.29Å; M410-F414 WeakPolarHBondContact O-CG 3.48Å; M410-F414 PolarHBondContact O-N 3.3Å
411	A	83	Confident	80.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-47.6	174.3	0	0	0	0	0	110.4	G407 E408 K413 F414 M415 M426	G407-A411 WeakPolarHBondContact O-CB 3.13Å; G407-A411 PolarHBondContact O-N 3.33Å; E408-A411 PolarHBondContact O-N 3.41Å; A411-K413 VanDerWaalsContact C-N 3.32Å; A411-K413 PolarHBondContact O-N 2.83Å; A411-F414 PolarHBondContact O-N 3.43Å; A411-M415 VanDerWaalsContact O-CG 3.26Å; A411-M415 WeakPolarHBondContact O-CG 3.19Å; A411-M415 PolarHBondContact O-N 2.91Å; A411-M426 HydrophobicContact CB-CB 4.33Å; A411-M426 HydrophobicContact CB-CG 4.27Å
412	N	83.4	Confident	81.1	Confident	71 Å²	71	56.2 Å²	56.2	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-39.1	175.2	-72.9	-35.2	0	0	0	112.3	E408 E409 M410 M415 L416	E408-N412 PolarHBondContact O-N 3.43Å; E408-N412 PolarHBondContact O-ND2 2.96Å; E409-N412 PolarHBondContact O-N 2.68Å; M410-N412 VanDerWaalsContact C-N 3.35Å; N412-M415 WeakPolarHBondContact O-CB 3.4Å; N412-M415 PolarHBondContact O-N 3.27Å; N412-L416 WeakPolarHBondContact O-CG 3.41Å; N412-L416 PolarHBondContact O-N 3.14Å
413	K	83	Confident	81.2	Confident	67 Å²	67	51.8 Å²	51.8	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.4	-172.5	173.8	178.2	171.3	0	112.2	E409 M410 A411 M415 L416 E417	E409-K413 WeakPolarHBondContact O-CB 3.43Å; E409-K413 PolarHBondContact O-N 2.82Å; M410-K413 PolarHBondContact O-N 3.33Å; M410-K413 HydrophobicContact SD-CD 4.07Å; A411-K413 VanDerWaalsContact C-N 3.32Å; A411-K413 PolarHBondContact O-N 2.83Å; K413-M415 VanDerWaalsContact C-N 3.27Å; K413-M415 PolarHBondContact O-N 3.23Å; K413-L416 PolarHBondContact O-N 3.07Å; K413-L416 VanDerWaalsContact O-N 3.17Å; K413-E417 WeakPolarHBondContact CE-OE1 3.29Å; K413-E417 HydrophobicContact CG-CG 4.39Å; K413-E417 WeakPolarHBondContact O-CB 3.41Å; K413-E417 WeakPolarHBondContact O-CG 3.33Å; K413-E417 PolarHBondContact O-N 3.38Å
414	F	82.5	Confident	81.5	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-37.9	173.6	-71.2	-43.9	0	0	0	111.7	L383 Y386 F389 M410 A411 E417 Q418 E419 A423	L383-F414 WeakPolarHBondContact O-CZ 3.36Å; Y386-F414 HydrophobicContact CD1-CE1 4.42Å; Y386-F414 HydrophobicContact CD1-CZ 4.16Å; Y386-F414 HydrophobicContact CE1-CD1 4.21Å; Y386-F414 AromaticContact CE1-CE1 3.73Å; Y386-F414 HydrophobicContact CE1-CE1 3.73Å; Y386-F414 AromaticContact CE1-CZ 3.92Å; Y386-F414 HydrophobicContact CE1-CZ 3.92Å; F389-F414 HydrophobicContact CE1-CE2 4.24Å; F389-F414 HydrophobicContact CZ-CE2 4.15Å; M410-F414 HydrophobicContact CB-CE2 4.28Å; M410-F414 WeakPolarHBondContact O-CB 3.4Å; M410-F414 WeakPolarHBondContact O-CD2 3.17Å; M410-F414 VanDerWaalsContact O-CG 3.29Å; M410-F414 WeakPolarHBondContact O-CG 3.48Å; M410-F414 PolarHBondContact O-N 3.3Å; A411-F414 PolarHBondContact O-N 3.43Å; F414-E417 PolarHBondContact O-N 2.64Å; F414-Q418 PolarHBondContact O-N 3.2Å; F414-Q418 VanDerWaalsContact O-N 3.12Å; F414-E419 HydrophobicContact CB-CB 4.17Å; F414-E419 HydrophobicContact CD1-CB 3.92Å; F414-E419 WeakPolarHBondContact CD1-OE2 3.22Å; F414-E419 VanDerWaalsContact CE1-OE2 3.3Å; F414-E419 WeakPolarHBondContact CE1-OE2 3.33Å; F414-E419 HydrophobicContact CG-CB 4.42Å; F414-E419 PolarHBondContact O-N 3.28Å; F414-A423 HydrophobicContact CB-CB 3.77Å
415	M	81.9	Confident	81.4	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-41.3	174.5	-66.2	-62.8	-74.3	0	0	111.9	A411 N412 K413 Q418 W420 A423 M440 F441 F444 A446	A411-M415 VanDerWaalsContact O-CG 3.26Å; A411-M415 WeakPolarHBondContact O-CG 3.19Å; A411-M415 PolarHBondContact O-N 2.91Å; N412-M415 WeakPolarHBondContact O-CB 3.4Å; N412-M415 PolarHBondContact O-N 3.27Å; K413-M415 VanDerWaalsContact C-N 3.27Å; K413-M415 PolarHBondContact O-N 3.23Å; M415-Q418 PolarHBondContact O-N 2.91Å; M415-W420 HydrophobicContact CE-CE3 4.03Å; M415-W420 HydrophobicContact CE-CZ3 3.88Å; M415-W420 HydrophobicContact SD-CE3 3.85Å; M415-W420 HydrophobicContact SD-CZ3 4.1Å; M415-A423 HydrophobicContact CG-CB 3.78Å; M415-A423 HydrophobicContact SD-CB 3.4Å; M415-A423 WeakPolarHBondContact SD-CB 3.49Å; M415-M440 HydrophobicContact CG-SD 4.33Å; M415-F441 HydrophobicContact CE-CB 4.45Å; M415-F441 HydrophobicContact CE-CD1 4.16Å; M415-F441 HydrophobicContact CE-CD2 4.1Å; M415-F441 HydrophobicContact CE-CE1 4.44Å; M415-F441 HydrophobicContact CE-CE2 4.38Å; M415-F441 HydrophobicContact CE-CG 3.99Å; M415-F441 HydrophobicContact SD-CD2 4.31Å; M415-F441 HydrophobicContact SD-CE1 4.26Å; M415-F441 HydrophobicContact SD-CE2 4Å; M415-F441 HydrophobicContact SD-CZ 3.96Å; M415-F444 HydrophobicContact CB-CD1 3.83Å; M415-F444 HydrophobicContact CB-CD2 3.81Å; M415-F444 HydrophobicContact CB-CE1 3.81Å; M415-F444 HydrophobicContact CB-CE2 3.81Å; M415-F444 HydrophobicContact CB-CG 3.83Å; M415-F444 HydrophobicContact CB-CZ 3.81Å; M415-F444 HydrophobicContact CE-CB 3.51Å; M415-F444 HydrophobicContact CE-CD2 3.54Å; M415-F444 HydrophobicContact CE-CE2 4.46Å; M415-F444 HydrophobicContact CE-CG 3.72Å; M415-F444 HydrophobicContact CG-CD2 4.02Å; M415-F444 HydrophobicContact CG-CE2 4.08Å; M415-F444 HydrophobicContact CG-CG 4.43Å; M415-A446 HydrophobicContact CE-CB 4.45Å
416	L	79.9	Confident	81.4	Confident	133 Å²	133	48.5 Å²	48.5	70%	0.696	23%	0.229	S	C	*	.	H	α-helix	trans	-67.3	-39.4	175.3	-71.8	169.4	0	0	0	113	N412 K413 Q418 F444	N412-L416 WeakPolarHBondContact O-CG 3.41Å; N412-L416 PolarHBondContact O-N 3.14Å; K413-L416 PolarHBondContact O-N 3.07Å; K413-L416 VanDerWaalsContact O-N 3.17Å; L416-Q418 PolarHBondContact O-N 3.13Å; L416-F444 HydrophobicContact CD2-CE1 4.04Å; L416-F444 HydrophobicContact CG-CE1 4.18Å
417	E	81.3	Confident	81.6	Confident	83 Å²	83	48 Å²	48	39%	0.388	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	1	177.6	-68.9	177.8	175.5	0	0	112.7	K413 F414 E419	K413-E417 WeakPolarHBondContact CE-OE1 3.29Å; K413-E417 HydrophobicContact CG-CG 4.39Å; K413-E417 WeakPolarHBondContact O-CB 3.41Å; K413-E417 WeakPolarHBondContact O-CG 3.33Å; K413-E417 PolarHBondContact O-N 3.38Å; F414-E417 PolarHBondContact O-N 2.64Å; E417-E419 VanDerWaalsContact C-N 3.25Å; E417-E419 HydrophobicContact CB-CG 4.27Å; E417-E419 PolarHBondContact O-N 3.22Å
418	Q	79.1	Confident	81.7	Confident	127 Å²	127	52.2 Å²	52.2	59%	0.593	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	30.1	-176.5	-52.9	-173.5	7.6	0	0	114.1	F414 M415 L416 W420	F414-Q418 PolarHBondContact O-N 3.2Å; F414-Q418 VanDerWaalsContact O-N 3.12Å; M415-Q418 PolarHBondContact O-N 2.91Å; L416-Q418 PolarHBondContact O-N 3.13Å; Q418-W420 HydrophobicContact CB-CH2 4.22Å; Q418-W420 HydrophobicContact CB-CZ2 3.47Å; Q418-W420 VanDerWaalsContact CB-CZ2 3.47Å; Q418-W420 HydrophobicContact CG-CH2 4.12Å; Q418-W420 HydrophobicContact CG-CZ2 3.67Å; Q418-W420 PolarHBondContact O-N 3.09Å; Q418-W420 PolarHBondContact O-NE1 2.91Å
419	E	78.8	Confident	81.5	Confident	70 Å²	70	52.5 Å²	52.5	33%	0.327	24%	0.242	S	C	.	.			trans	-95.4	66.1	176.2	-69.5	-161.9	167.7	0	0	111.7	Y386 F414 E417 E421 G422 A423	Y386-E419 WeakPolarHBondContact CE1-OE2 3.46Å; Y386-E419 WeakPolarHBondContact OH-CB 3.35Å; Y386-E419 WeakPolarHBondContact OH-CG 3.44Å; Y386-E419 PolarHBondContact OH-OE2 3.36Å; F414-E419 HydrophobicContact CB-CB 4.17Å; F414-E419 HydrophobicContact CD1-CB 3.92Å; F414-E419 WeakPolarHBondContact CD1-OE2 3.22Å; F414-E419 VanDerWaalsContact CE1-OE2 3.3Å; F414-E419 WeakPolarHBondContact CE1-OE2 3.33Å; F414-E419 HydrophobicContact CG-CB 4.42Å; F414-E419 PolarHBondContact O-N 3.28Å; E417-E419 VanDerWaalsContact C-N 3.25Å; E417-E419 HydrophobicContact CB-CG 4.27Å; E417-E419 PolarHBondContact O-N 3.22Å; E419-E421 VanDerWaalsContact C-N 3.34Å; E419-E421 PolarHBondContact O-N 3.23Å; E419-G422 PolarHBondContact O-N 3.07Å; E419-G422 VanDerWaalsContact O-N 3.08Å; E419-A423 PolarHBondContact O-N 3.48Å
420	W	80.7	Confident	81.5	Confident	46 Å²	46	48.6 Å²	48.6	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-35.2	-169	-39.8	96.1	0	0	0	115.1	M415 Q418 G422 L424 F441 A446	M415-W420 HydrophobicContact CE-CE3 4.03Å; M415-W420 HydrophobicContact CE-CZ3 3.88Å; M415-W420 HydrophobicContact SD-CE3 3.85Å; M415-W420 HydrophobicContact SD-CZ3 4.1Å; Q418-W420 HydrophobicContact CB-CH2 4.22Å; Q418-W420 HydrophobicContact CB-CZ2 3.47Å; Q418-W420 VanDerWaalsContact CB-CZ2 3.47Å; Q418-W420 HydrophobicContact CG-CH2 4.12Å; Q418-W420 HydrophobicContact CG-CZ2 3.67Å; Q418-W420 PolarHBondContact O-N 3.09Å; Q418-W420 PolarHBondContact O-NE1 2.91Å; W420-G422 VanDerWaalsContact C-N 3.35Å; W420-L424 WeakPolarHBondContact O-CB 3.3Å; W420-L424 PolarHBondContact O-N 3.22Å; W420-F441 HydrophobicContact CB-CE1 4.15Å; W420-F441 HydrophobicContact CE3-CE1 4.45Å; W420-A446 HydrophobicContact CD2-CB 4.05Å; W420-A446 HydrophobicContact CE3-CB 3.38Å; W420-A446 HydrophobicContact CH2-CB 3.77Å; W420-A446 HydrophobicContact CZ2-CB 4.39Å; W420-A446 HydrophobicContact CZ3-CB 3.24Å
421	E	77	Confident	81.6	Confident	101 Å²	101	57.1 Å²	57.1	47%	0.472	26%	0.262	S	S	.	.	H	α-helix	trans	-68.6	-38.3	178.2	-170.1	-175.1	173.6	0	0	110.9	E419 K425	E419-E421 VanDerWaalsContact C-N 3.34Å; E419-E421 PolarHBondContact O-N 3.23Å; E421-K425 HydrophobicContact CG-CD 4.28Å; E421-K425 WeakPolarHBondContact O-CB 3.45Å; E421-K425 WeakPolarHBondContact O-CG 3.45Å; E421-K425 PolarHBondContact O-N 3.01Å; E421-K425 WeakPolarHBondContact OE1-CE 3.43Å; E421-K425 IonicContact OE1-NZ 2.67Å; E421-K425 PolarHBondContact OE1-NZ 2.88Å
422	G	76.6	Confident	81.7	Confident	0 Å²	0	59 Å²	59	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-50.5	173.9	0	0	0	0	0	111.4	E419 W420 L424 K425 M426	E419-G422 PolarHBondContact O-N 3.07Å; E419-G422 VanDerWaalsContact O-N 3.08Å; W420-G422 VanDerWaalsContact C-N 3.35Å; G422-L424 PolarHBondContact O-N 3.37Å; G422-K425 PolarHBondContact O-N 3.31Å; G422-M426 VanDerWaalsContact O-CB 3.29Å; G422-M426 WeakPolarHBondContact O-CB 3.17Å; G422-M426 PolarHBondContact O-N 3.01Å
423	A	83	Confident	81.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.3	-49.5	176.3	0	0	0	0	0	111.9	F414 M415 E419 K425 M426 C427 F441	F414-A423 HydrophobicContact CB-CB 3.77Å; M415-A423 HydrophobicContact CG-CB 3.78Å; M415-A423 HydrophobicContact SD-CB 3.4Å; M415-A423 WeakPolarHBondContact SD-CB 3.49Å; E419-A423 PolarHBondContact O-N 3.48Å; A423-K425 PolarHBondContact O-N 3.31Å; A423-M426 PolarHBondContact O-N 3.47Å; A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 3.09Å; A423-F441 HydrophobicContact CB-CZ 4.31Å
424	L	84.6	Confident	82.2	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-49.7	-179.5	178.2	61.1	0	0	0	112.1	W420 G422 M426 C427 Q428 I437 F441 L450 H453 W457	W420-L424 WeakPolarHBondContact O-CB 3.3Å; W420-L424 PolarHBondContact O-N 3.22Å; G422-L424 PolarHBondContact O-N 3.37Å; L424-M426 PolarHBondContact O-N 3.4Å; L424-C427 PolarHBondContact O-N 3.08Å; L424-Q428 HydrophobicContact CD1-CG 4.39Å; L424-Q428 WeakPolarHBondContact O-CG 3.49Å; L424-Q428 PolarHBondContact O-N 3.29Å; L424-I437 HydrophobicContact CD1-CG2 3.69Å; L424-F441 HydrophobicContact CB-CE2 4.41Å; L424-F441 HydrophobicContact CB-CZ 3.92Å; L424-L450 HydrophobicContact CD1-CD1 3.72Å; L424-L450 HydrophobicContact CD2-CD1 4.15Å; L424-L450 HydrophobicContact CG-CD1 4.49Å; L424-H453 WeakPolarHBondContact CD2-CD2 3.05Å; L424-H453 WeakPolarHBondContact CD2-NE2 3.22Å; L424-W457 HydrophobicContact CD1-CH2 4.1Å; L424-W457 HydrophobicContact CD1-CZ2 4.19Å
425	K	80.7	Confident	82.5	Confident	70 Å²	70	57.6 Å²	57.6	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-34.2	179.1	-73.1	176.2	-177.6	165.7	0	111.5	F389 E421 G422 A423 R429	F389-K425 HydrophobicContact CD2-CB 4.32Å; F389-K425 HydrophobicContact CE2-CB 3.56Å; E421-K425 HydrophobicContact CG-CD 4.28Å; E421-K425 WeakPolarHBondContact O-CB 3.45Å; E421-K425 WeakPolarHBondContact O-CG 3.45Å; E421-K425 PolarHBondContact O-N 3.01Å; E421-K425 WeakPolarHBondContact OE1-CE 3.43Å; E421-K425 IonicContact OE1-NZ 2.67Å; E421-K425 PolarHBondContact OE1-NZ 2.88Å; G422-K425 PolarHBondContact O-N 3.31Å; A423-K425 PolarHBondContact O-N 3.31Å; K425-R429 WeakPolarHBondContact O-CB 3.21Å; K425-R429 PolarHBondContact O-N 2.88Å
426	M	82.4	Confident	82.8	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-46.5	176	-164	58.2	-173.1	0	0	111.2	L383 F389 F403 G407 A411 G422 A423 L424 Q428 R429 L430	L383-M426 HydrophobicContact CD2-CE 3.63Å; L383-M426 HydrophobicContact CD2-SD 4.09Å; F389-M426 HydrophobicContact CD1-SD 3.86Å; F389-M426 HydrophobicContact CD2-SD 4.21Å; F389-M426 HydrophobicContact CE1-SD 3.75Å; F389-M426 HydrophobicContact CE2-CB 4.23Å; F389-M426 HydrophobicContact CE2-SD 4.14Å; F389-M426 HydrophobicContact CG-SD 4.08Å; F389-M426 HydrophobicContact CZ-CB 4.03Å; F389-M426 HydrophobicContact CZ-SD 3.92Å; F403-M426 HydrophobicContact CE1-CE 4.08Å; F403-M426 HydrophobicContact CE2-CE 4.1Å; F403-M426 HydrophobicContact CZ-CE 3.64Å; G407-M426 WeakPolarHBondContact O-CG 3.33Å; A411-M426 HydrophobicContact CB-CB 4.33Å; A411-M426 HydrophobicContact CB-CG 4.27Å; G422-M426 VanDerWaalsContact O-CB 3.29Å; G422-M426 WeakPolarHBondContact O-CB 3.17Å; G422-M426 PolarHBondContact O-N 3.01Å; A423-M426 PolarHBondContact O-N 3.47Å; L424-M426 PolarHBondContact O-N 3.4Å; M426-Q428 VanDerWaalsContact C-N 3.32Å; M426-Q428 PolarHBondContact O-N 3.27Å; M426-R429 PolarHBondContact O-N 3.35Å; M426-L430 HydrophobicContact CE-CD2 4.43Å; M426-L430 HydrophobicContact CE-CG 4.45Å; M426-L430 HydrophobicContact CG-CD1 4.36Å; M426-L430 WeakPolarHBondContact O-CG 3.38Å; M426-L430 PolarHBondContact O-N 3.39Å
427	C	85.7	Confident	83.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-42.4	175.3	-61.6	0	0	0	0	112.2	A423 L424 R429 L430 K431 M432 I437	A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 3.09Å; L424-C427 PolarHBondContact O-N 3.08Å; C427-R429 VanDerWaalsContact C-N 3.31Å; C427-R429 PolarHBondContact O-N 3.41Å; C427-L430 PolarHBondContact O-N 2.9Å; C427-K431 PolarHBondContact O-N 3.19Å; C427-M432 HydrophobicContact CB-CB 4.4Å; C427-M432 HydrophobicContact CB-CG 4.4Å; C427-M432 HydrophobicContact CB-SD 3.76Å; C427-M432 WeakPolarHBondContact O-CB 3.43Å; C427-M432 PolarHBondContact O-N 3.27Å; C427-M432 VanDerWaalsContact O-N 3.08Å; C427-I437 HydrophobicContact CB-CD1 4.02Å; C427-I437 HydrophobicContact CB-CG1 3.8Å
428	Q	83.7	Confident	83.6	Confident	89 Å²	89	51.8 Å²	51.8	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-37.4	174.2	-73.5	176.2	-11	0	0	112	L424 M426 K431 I437	L424-Q428 HydrophobicContact CD1-CG 4.39Å; L424-Q428 WeakPolarHBondContact O-CG 3.49Å; L424-Q428 PolarHBondContact O-N 3.29Å; M426-Q428 VanDerWaalsContact C-N 3.32Å; M426-Q428 PolarHBondContact O-N 3.27Å; Q428-K431 PolarHBondContact O-N 2.93Å; Q428-I437 HydrophobicContact CG-CD1 4.2Å
429	R	80.6	Confident	84.1	Confident	115 Å²	115	51.6 Å²	51.6	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-71.8	-36.9	178.4	-170.4	62.3	179.2	173.4	1.8	112.4	F389 E393 F403 K425 M426 C427 K431	F389-R429 HydrophobicContact CB-CG 4.26Å; E393-R429 IonicContact OE2-CZ 3.21Å; E393-R429 IonicContact OE2-NE 3.26Å; E393-R429 PolarHBondContact OE2-NE 3.02Å; E393-R429 IonicContact OE2-NH2 2.66Å; E393-R429 PolarHBondContact OE2-NH2 3.03Å; F403-R429 HydrophobicContact CE1-CG 4.22Å; F403-R429 HydrophobicContact CZ-CG 4.16Å; K425-R429 WeakPolarHBondContact O-CB 3.21Å; K425-R429 PolarHBondContact O-N 2.88Å; M426-R429 PolarHBondContact O-N 3.35Å; C427-R429 VanDerWaalsContact C-N 3.31Å; C427-R429 PolarHBondContact O-N 3.41Å; R429-K431 PolarHBondContact O-N 3.24Å; R429-K431 VanDerWaalsContact O-N 3.12Å
430	L	83	Confident	84.4	Confident	29 Å²	29	49.4 Å²	49.4	15%	0.152	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.1	170.7	-69	171.6	0	0	0	113.2	F403 C404 E408 M426 C427 M432	F403-L430 HydrophobicContact CE1-CD2 4.39Å; C404-L430 HydrophobicContact CB-CD2 4.47Å; E408-L430 HydrophobicContact CG-CD1 3.91Å; M426-L430 HydrophobicContact CE-CD2 4.43Å; M426-L430 HydrophobicContact CE-CG 4.45Å; M426-L430 HydrophobicContact CG-CD1 4.36Å; M426-L430 WeakPolarHBondContact O-CG 3.38Å; M426-L430 PolarHBondContact O-N 3.39Å; C427-L430 PolarHBondContact O-N 2.9Å; L430-M432 HydrophobicContact CB-CG 4.01Å; L430-M432 HydrophobicContact CD1-SD 4.45Å; L430-M432 PolarHBondContact O-N 3.41Å
431	K	82.4	Confident	84.8	Confident	186 Å²	186	47.3 Å²	47.3	81%	0.809	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	30.4	-176.1	-54.8	178.6	-179.1	172.2	0	113	C427 Q428 R429	C427-K431 PolarHBondContact O-N 3.19Å; Q428-K431 PolarHBondContact O-N 2.93Å; R429-K431 PolarHBondContact O-N 3.24Å; R429-K431 VanDerWaalsContact O-N 3.12Å
432	M	85.8	Confident	85.2	Confident	40 Å²	40	43.2 Å²	43.2	20%	0.197	21%	0.205	C	C	.	.			trans	-61.4	144.1	171.9	-63	-174.6	70.7	0	0	110	C427 L430 E436 I437 M440	C427-M432 HydrophobicContact CB-CB 4.4Å; C427-M432 HydrophobicContact CB-CG 4.4Å; C427-M432 HydrophobicContact CB-SD 3.76Å; C427-M432 WeakPolarHBondContact O-CB 3.43Å; C427-M432 PolarHBondContact O-N 3.27Å; C427-M432 VanDerWaalsContact O-N 3.08Å; L430-M432 HydrophobicContact CB-CG 4.01Å; L430-M432 HydrophobicContact CD1-SD 4.45Å; L430-M432 PolarHBondContact O-N 3.41Å; M432-E436 HydrophobicContact CE-CB 3.88Å; M432-I437 HydrophobicContact CB-CD1 4.5Å; M432-I437 HydrophobicContact CB-CG1 4.02Å; M432-M440 HydrophobicContact CE-CE 3.47Å; M432-M440 VanDerWaalsContact CE-CE 3.47Å; M432-M440 HydrophobicContact SD-CE 3.63Å
433	S	87.6	Confident	85.6	Confident	53 Å²	53	49.7 Å²	49.7	37%	0.371	24%	0.236	S	C	.	.			trans	-66.9	147.7	175.7	68	0	0	0	0	110.7	A435 E436 I437	S433-A435 PolarHBondContact O-N 3.18Å; S433-E436 WeakPolarHBondContact CB-OE2 3.36Å; S433-E436 PolarHBondContact N-OE2 2.88Å; S433-E436 PolarHBondContact O-N 3.28Å; S433-E436 WeakPolarHBondContact OG-CB 3.05Å; S433-E436 WeakPolarHBondContact OG-CG 3.27Å; S433-E436 PolarHBondContact OG-N 3.42Å; S433-E436 PolarHBondContact OG-OE2 3.29Å; S433-I437 WeakPolarHBondContact O-CG1 3.38Å; S433-I437 PolarHBondContact O-N 2.97Å
434	N	89.2	Confident	85.5	Confident	39 Å²	39	53.1 Å²	53.1	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-54.2	-32.5	176.9	-67.4	-21.7	0	0	0	112.3	I438 W457 V471	N434-I438 WeakPolarHBondContact O-CD1 3.46Å; N434-I438 VanDerWaalsContact O-CG1 3.27Å; N434-I438 WeakPolarHBondContact O-CG1 3.2Å; N434-I438 PolarHBondContact O-N 3.33Å; N434-I438 VanDerWaalsContact O-N 3.11Å; N434-W457 HydrophobicContact CB-CD2 4.14Å; N434-W457 HydrophobicContact CB-CE3 3.92Å; N434-W457 HydrophobicContact CB-CZ3 4.19Å; N434-V471 HydrophobicContact CB-CG2 3.72Å
435	A	88.2	Confident	85.3	Confident	17 Å²	17	54.1 Å²	54.1	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-39.6	175.9	0	0	0	0	0	113.1	S433 I438 K439 A474	S433-A435 PolarHBondContact O-N 3.18Å; A435-I438 PolarHBondContact O-N 3.45Å; A435-K439 WeakPolarHBondContact O-CG 3.4Å; A435-K439 PolarHBondContact O-N 3.15Å; A435-A474 HydrophobicContact CB-CB 3.77Å
436	E	88.1	Confident	85.3	Confident	96 Å²	96	50.9 Å²	50.9	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-39.4	174.6	-72.7	157.4	166.4	0	0	111.5	M432 S433 I438 K439 M440	M432-E436 HydrophobicContact CE-CB 3.88Å; S433-E436 WeakPolarHBondContact CB-OE2 3.36Å; S433-E436 PolarHBondContact N-OE2 2.88Å; S433-E436 PolarHBondContact O-N 3.28Å; S433-E436 WeakPolarHBondContact OG-CB 3.05Å; S433-E436 WeakPolarHBondContact OG-CG 3.27Å; S433-E436 PolarHBondContact OG-N 3.42Å; S433-E436 PolarHBondContact OG-OE2 3.29Å; E436-I438 VanDerWaalsContact C-N 3.31Å; E436-I438 PolarHBondContact O-N 3.12Å; E436-K439 PolarHBondContact O-N 2.85Å; E436-M440 PolarHBondContact O-N 2.87Å
437	I	88.7	Confident	85.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-45	175.5	-59.4	175.4	0	0	0	110.2	L424 C427 Q428 M432 S433 K439 M440 F441 L450 W457	L424-I437 HydrophobicContact CD1-CG2 3.69Å; C427-I437 HydrophobicContact CB-CD1 4.02Å; C427-I437 HydrophobicContact CB-CG1 3.8Å; Q428-I437 HydrophobicContact CG-CD1 4.2Å; M432-I437 HydrophobicContact CB-CD1 4.5Å; M432-I437 HydrophobicContact CB-CG1 4.02Å; S433-I437 WeakPolarHBondContact O-CG1 3.38Å; S433-I437 PolarHBondContact O-N 2.97Å; I437-K439 PolarHBondContact O-N 3.32Å; I437-M440 PolarHBondContact O-N 3.43Å; I437-F441 HydrophobicContact CG2-CD2 3.88Å; I437-F441 HydrophobicContact CG2-CE2 3.94Å; I437-F441 VanDerWaalsContact O-CD2 3.29Å; I437-F441 WeakPolarHBondContact O-CD2 3.38Å; I437-F441 PolarHBondContact O-N 2.97Å; I437-L450 HydrophobicContact CG2-CD1 4.34Å; I437-L450 HydrophobicContact CG2-CD2 4.19Å; I437-W457 HydrophobicContact CB-CH2 4.16Å; I437-W457 HydrophobicContact CD1-CH2 4.23Å; I437-W457 HydrophobicContact CD1-CZ2 4.48Å; I437-W457 HydrophobicContact CG2-CH2 3.87Å
438	I	90.3	Very high	85.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-45.4	177	-70.3	165	0	0	0	111.4	N434 A435 E436 F441 A442 L447 L450 V454 W457 V471 A474 A475 A478	N434-I438 WeakPolarHBondContact O-CD1 3.46Å; N434-I438 VanDerWaalsContact O-CG1 3.27Å; N434-I438 WeakPolarHBondContact O-CG1 3.2Å; N434-I438 PolarHBondContact O-N 3.33Å; N434-I438 VanDerWaalsContact O-N 3.11Å; A435-I438 PolarHBondContact O-N 3.45Å; E436-I438 VanDerWaalsContact C-N 3.31Å; E436-I438 PolarHBondContact O-N 3.12Å; I438-F441 PolarHBondContact O-N 3.03Å; I438-A442 WeakPolarHBondContact O-CB 3.39Å; I438-A442 PolarHBondContact O-N 3.48Å; I438-L447 HydrophobicContact CG2-CD1 4.03Å; I438-L450 HydrophobicContact CB-CD2 4.49Å; I438-L450 HydrophobicContact CG1-CD2 3.93Å; I438-V454 HydrophobicContact CD1-CG1 4.49Å; I438-V454 HydrophobicContact CD1-CG2 4.22Å; I438-V454 HydrophobicContact CG1-CG2 4.11Å; I438-W457 HydrophobicContact CD1-CE3 4.34Å; I438-W457 HydrophobicContact CD1-CZ3 4.27Å; I438-W457 HydrophobicContact CG1-CZ3 3.97Å; I438-V471 HydrophobicContact CD1-CG1 3.91Å; I438-A474 HydrophobicContact CB-CB 4.3Å; I438-A474 HydrophobicContact CD1-CB 4.28Å; I438-A474 HydrophobicContact CG2-CB 4.22Å; I438-A475 HydrophobicContact CD1-CB 4.33Å; I438-A478 HydrophobicContact CG2-CB 3.73Å
439	K	88.8	Confident	85.1	Confident	124 Å²	124	54.1 Å²	54.1	54%	0.539	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-46.5	179	-72.6	176.6	-178.5	179.8	0	111.8	A435 E436 I437 F441 A442 E443	A435-K439 WeakPolarHBondContact O-CG 3.4Å; A435-K439 PolarHBondContact O-N 3.15Å; E436-K439 PolarHBondContact O-N 2.85Å; I437-K439 PolarHBondContact O-N 3.32Å; K439-F441 PolarHBondContact O-N 3.39Å; K439-A442 WeakPolarHBondContact O-CB 3.5Å; K439-A442 PolarHBondContact O-N 2.8Å; K439-E443 WeakPolarHBondContact O-CG 3.27Å; K439-E443 PolarHBondContact O-N 3.46Å
440	M	86	Confident	85.4	Confident	23 Å²	23	48.7 Å²	48.7	11%	0.113	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-49	177	-172.5	-165.3	-66.5	0	0	110.8	M415 M432 E436 I437 A442 E443 F444	M415-M440 HydrophobicContact CG-SD 4.33Å; M432-M440 HydrophobicContact CE-CE 3.47Å; M432-M440 VanDerWaalsContact CE-CE 3.47Å; M432-M440 HydrophobicContact SD-CE 3.63Å; E436-M440 PolarHBondContact O-N 2.87Å; I437-M440 PolarHBondContact O-N 3.43Å; M440-A442 VanDerWaalsContact C-N 3.27Å; M440-A442 PolarHBondContact O-N 3.08Å; M440-E443 PolarHBondContact O-N 3.25Å; M440-F444 HydrophobicContact CG-CD2 4.39Å; M440-F444 HydrophobicContact CG-CE2 4.26Å; M440-F444 WeakPolarHBondContact O-CD2 3.5Å; M440-F444 PolarHBondContact O-N 2.92Å
441	F	88.6	Confident	85.6	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-31.7	178.6	-87.3	-109	0	0	0	113.4	M415 W420 A423 L424 I437 I438 K439 G445 A446 L450	M415-F441 HydrophobicContact CE-CB 4.45Å; M415-F441 HydrophobicContact CE-CD1 4.16Å; M415-F441 HydrophobicContact CE-CD2 4.1Å; M415-F441 HydrophobicContact CE-CE1 4.44Å; M415-F441 HydrophobicContact CE-CE2 4.38Å; M415-F441 HydrophobicContact CE-CG 3.99Å; M415-F441 HydrophobicContact SD-CD2 4.31Å; M415-F441 HydrophobicContact SD-CE1 4.26Å; M415-F441 HydrophobicContact SD-CE2 4Å; M415-F441 HydrophobicContact SD-CZ 3.96Å; W420-F441 HydrophobicContact CB-CE1 4.15Å; W420-F441 HydrophobicContact CE3-CE1 4.45Å; A423-F441 HydrophobicContact CB-CZ 4.31Å; L424-F441 HydrophobicContact CB-CE2 4.41Å; L424-F441 HydrophobicContact CB-CZ 3.92Å; I437-F441 HydrophobicContact CG2-CD2 3.88Å; I437-F441 HydrophobicContact CG2-CE2 3.94Å; I437-F441 VanDerWaalsContact O-CD2 3.29Å; I437-F441 WeakPolarHBondContact O-CD2 3.38Å; I437-F441 PolarHBondContact O-N 2.97Å; I438-F441 PolarHBondContact O-N 3.03Å; K439-F441 PolarHBondContact O-N 3.39Å; F441-G445 PolarHBondContact O-N 3.47Å; F441-A446 HydrophobicContact CD1-CB 4.03Å; F441-A446 PolarHBondContact O-N 3.12Å; F441-L450 HydrophobicContact CB-CB 4.43Å; F441-L450 HydrophobicContact CB-CD2 3.88Å; F441-L450 HydrophobicContact CD1-CB 3.87Å; F441-L450 HydrophobicContact CD1-CD1 4.25Å; F441-L450 HydrophobicContact CD1-CD2 4.35Å; F441-L450 HydrophobicContact CD1-CG 4.37Å; F441-L450 HydrophobicContact CD2-CD1 4.48Å; F441-L450 HydrophobicContact CD2-CD2 4.22Å; F441-L450 HydrophobicContact CE1-CB 4.42Å; F441-L450 HydrophobicContact CE1-CD1 4.21Å; F441-L450 HydrophobicContact CE2-CD1 4.45Å; F441-L450 HydrophobicContact CG-CB 4.24Å; F441-L450 HydrophobicContact CG-CD1 4.39Å; F441-L450 HydrophobicContact CG-CD2 3.89Å; F441-L450 HydrophobicContact CG-CG 4.4Å; F441-L450 HydrophobicContact CZ-CD1 4.32Å
442	A	85.4	Confident	85.6	Confident	14 Å²	14	41 Å²	41	12%	0.116	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-37.9	175.4	0	0	0	0	0	112.6	I438 K439 M440 F444 G445 L447 A478	I438-A442 WeakPolarHBondContact O-CB 3.39Å; I438-A442 PolarHBondContact O-N 3.48Å; K439-A442 WeakPolarHBondContact O-CB 3.5Å; K439-A442 PolarHBondContact O-N 2.8Å; M440-A442 VanDerWaalsContact C-N 3.27Å; M440-A442 PolarHBondContact O-N 3.08Å; A442-F444 VanDerWaalsContact C-N 3.3Å; A442-F444 PolarHBondContact O-N 3.39Å; A442-G445 PolarHBondContact O-N 2.97Å; A442-G445 VanDerWaalsContact O-N 3.16Å; A442-L447 HydrophobicContact CB-CD1 4.47Å; A442-A478 HydrophobicContact CB-CB 3.59Å
443	E	83.9	Confident	85.5	Confident	137 Å²	137	43 Å²	43	64%	0.64	23%	0.226	S	C	*	.	H	α-helix	trans	-61.2	-38	178	-75.7	173.9	-177.5	0	0	112.6	K439 M440	K439-E443 WeakPolarHBondContact O-CG 3.27Å; K439-E443 PolarHBondContact O-N 3.46Å; M440-E443 PolarHBondContact O-N 3.25Å
444	F	82.5	Confident	85.4	Confident	72 Å²	72	40.6 Å²	40.6	32%	0.316	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5.5	177.2	-71.2	-87	0	0	0	114.2	M415 L416 M440 A442 A446	M415-F444 HydrophobicContact CB-CD1 3.83Å; M415-F444 HydrophobicContact CB-CD2 3.81Å; M415-F444 HydrophobicContact CB-CE1 3.81Å; M415-F444 HydrophobicContact CB-CE2 3.81Å; M415-F444 HydrophobicContact CB-CG 3.83Å; M415-F444 HydrophobicContact CB-CZ 3.81Å; M415-F444 HydrophobicContact CE-CB 3.51Å; M415-F444 HydrophobicContact CE-CD2 3.54Å; M415-F444 HydrophobicContact CE-CE2 4.46Å; M415-F444 HydrophobicContact CE-CG 3.72Å; M415-F444 HydrophobicContact CG-CD2 4.02Å; M415-F444 HydrophobicContact CG-CE2 4.08Å; M415-F444 HydrophobicContact CG-CG 4.43Å; L416-F444 HydrophobicContact CD2-CE1 4.04Å; L416-F444 HydrophobicContact CG-CE1 4.18Å; M440-F444 HydrophobicContact CG-CD2 4.39Å; M440-F444 HydrophobicContact CG-CE2 4.26Å; M440-F444 WeakPolarHBondContact O-CD2 3.5Å; M440-F444 PolarHBondContact O-N 2.92Å; A442-F444 VanDerWaalsContact C-N 3.3Å; A442-F444 PolarHBondContact O-N 3.39Å; F444-A446 VanDerWaalsContact C-N 3.31Å; F444-A446 PolarHBondContact O-N 3.47Å
445	G	78.8	Confident	85.3	Confident	29 Å²	29	41.9 Å²	41.9	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	13.8	177.9	0	0	0	0	0	115.7	F441 A442	F441-G445 PolarHBondContact O-N 3.47Å; A442-G445 PolarHBondContact O-N 2.97Å; A442-G445 VanDerWaalsContact O-N 3.16Å
446	A	81.4	Confident	85	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.017	23%	0.227	C	C	.	.			trans	-99.7	16.9	-173.8	0	0	0	0	0	114.4	M415 W420 F441 F444 H448 R449 L450	M415-A446 HydrophobicContact CE-CB 4.45Å; W420-A446 HydrophobicContact CD2-CB 4.05Å; W420-A446 HydrophobicContact CE3-CB 3.38Å; W420-A446 HydrophobicContact CH2-CB 3.77Å; W420-A446 HydrophobicContact CZ2-CB 4.39Å; W420-A446 HydrophobicContact CZ3-CB 3.24Å; F441-A446 HydrophobicContact CD1-CB 4.03Å; F441-A446 PolarHBondContact O-N 3.12Å; F444-A446 VanDerWaalsContact C-N 3.31Å; F444-A446 PolarHBondContact O-N 3.47Å; A446-H448 VanDerWaalsContact C-N 3.33Å; A446-H448 PolarHBondContact O-N 3.03Å; A446-R449 WeakPolarHBondContact O-CB 3.4Å; A446-R449 PolarHBondContact O-N 3.37Å; A446-L450 PolarHBondContact O-N 2.97Å
447	L	83.9	Confident	84.9	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-39.9	-172.6	-171.2	66	0	0	0	113.5	I438 A442 R449 L450 W451 A478 F479 L495	I438-L447 HydrophobicContact CG2-CD1 4.03Å; A442-L447 HydrophobicContact CB-CD1 4.47Å; L447-R449 PolarHBondContact O-N 3.4Å; L447-L450 PolarHBondContact O-N 3.34Å; L447-W451 PolarHBondContact O-N 3.38Å; L447-A478 HydrophobicContact CD1-CB 4.05Å; L447-A478 HydrophobicContact CD2-CB 3.82Å; L447-F479 HydrophobicContact CD2-CB 4.31Å; L447-F479 HydrophobicContact CD2-CD1 3.39Å; L447-F479 HydrophobicContact CD2-CD2 4.01Å; L447-F479 HydrophobicContact CD2-CE1 3.53Å; L447-F479 HydrophobicContact CD2-CE2 4.12Å; L447-F479 HydrophobicContact CD2-CG 3.63Å; L447-F479 HydrophobicContact CD2-CZ 3.89Å; L447-F479 HydrophobicContact CG-CD1 4.3Å; L447-F479 HydrophobicContact CG-CE1 3.94Å; L447-F479 HydrophobicContact CG-CE2 4.47Å; L447-F479 HydrophobicContact CG-CZ 4.02Å; L447-L495 HydrophobicContact CB-CD2 4.12Å
448	H	81.6	Confident	84.7	Confident	41 Å²	41	41 Å²	41	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-30.4	177.6	70.2	-88.9	0	0	0	112.6	A446 W451 L495	A446-H448 VanDerWaalsContact C-N 3.33Å; A446-H448 PolarHBondContact O-N 3.03Å; H448-W451 WeakPolarHBondContact O-CB 3.27Å; H448-W451 PolarHBondContact O-N 2.86Å; H448-L495 HydrophobicContact CB-CD2 3.99Å; H448-L495 HydrophobicContact CB-CG 4.44Å
449	R	82.4	Confident	84	Confident	115 Å²	115	49.5 Å²	49.5	43%	0.434	24%	0.241	S	C	.	.	H	α-helix	trans	-75.3	-27.7	178	-54.6	-170.8	-177.8	-169	6.1	111.9	A446 L447	A446-R449 WeakPolarHBondContact O-CB 3.4Å; A446-R449 PolarHBondContact O-N 3.37Å; L447-R449 PolarHBondContact O-N 3.4Å
450	L	87.3	Confident	83.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-81	-17	175.3	-167.3	67.8	0	0	0	112.5	L424 I437 I438 F441 A446 L447 G452 H453 V454 W457	L424-L450 HydrophobicContact CD1-CD1 3.72Å; L424-L450 HydrophobicContact CD2-CD1 4.15Å; L424-L450 HydrophobicContact CG-CD1 4.49Å; I437-L450 HydrophobicContact CG2-CD1 4.34Å; I437-L450 HydrophobicContact CG2-CD2 4.19Å; I438-L450 HydrophobicContact CB-CD2 4.49Å; I438-L450 HydrophobicContact CG1-CD2 3.93Å; F441-L450 HydrophobicContact CB-CB 4.43Å; F441-L450 HydrophobicContact CB-CD2 3.88Å; F441-L450 HydrophobicContact CD1-CB 3.87Å; F441-L450 HydrophobicContact CD1-CD1 4.25Å; F441-L450 HydrophobicContact CD1-CD2 4.35Å; F441-L450 HydrophobicContact CD1-CG 4.37Å; F441-L450 HydrophobicContact CD2-CD1 4.48Å; F441-L450 HydrophobicContact CD2-CD2 4.22Å; F441-L450 HydrophobicContact CE1-CB 4.42Å; F441-L450 HydrophobicContact CE1-CD1 4.21Å; F441-L450 HydrophobicContact CE2-CD1 4.45Å; F441-L450 HydrophobicContact CG-CB 4.24Å; F441-L450 HydrophobicContact CG-CD1 4.39Å; F441-L450 HydrophobicContact CG-CD2 3.89Å; F441-L450 HydrophobicContact CG-CG 4.4Å; F441-L450 HydrophobicContact CZ-CD1 4.32Å; A446-L450 PolarHBondContact O-N 2.97Å; L447-L450 PolarHBondContact O-N 3.34Å; L450-G452 VanDerWaalsContact C-N 3.28Å; L450-G452 PolarHBondContact O-N 3.12Å; L450-G452 VanDerWaalsContact O-N 3.13Å; L450-H453 HydrophobicContact CD1-CB 4.14Å; L450-H453 WeakPolarHBondContact O-CA 3.23Å; L450-H453 WeakPolarHBondContact O-CB 3.2Å; L450-H453 PolarHBondContact O-N 3.4Å; L450-V454 HydrophobicContact CD2-CG2 4.12Å; L450-V454 HydrophobicContact CG-CG2 3.98Å; L450-V454 PolarHBondContact O-N 3.35Å; L450-W457 HydrophobicContact CD1-CH2 4.06Å; L450-W457 HydrophobicContact CD1-CZ3 4.48Å; L450-W457 HydrophobicContact CD2-CH2 4.4Å; L450-W457 HydrophobicContact CD2-CZ3 4.17Å; L450-W457 HydrophobicContact CG-CH2 4.49Å; L450-W457 HydrophobicContact CG-CZ3 4.42Å
451	W	86.6	Confident	82.6	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-54.4	-39.8	-169.5	-176.1	-129.1	0	0	0	113.8	L447 H448 H453 V454 K455 F479 D498 E501 L502 Y506	L447-W451 PolarHBondContact O-N 3.38Å; H448-W451 WeakPolarHBondContact O-CB 3.27Å; H448-W451 PolarHBondContact O-N 2.86Å; W451-H453 VanDerWaalsContact C-N 3.3Å; W451-H453 PolarHBondContact O-N 2.9Å; W451-V454 HydrophobicContact CE3-CB 3.82Å; W451-V454 HydrophobicContact CE3-CG1 3.92Å; W451-V454 HydrophobicContact CE3-CG2 4.42Å; W451-V454 HydrophobicContact CZ3-CB 4.04Å; W451-V454 HydrophobicContact CZ3-CG1 3.61Å; W451-V454 PolarHBondContact O-N 3.08Å; W451-V454 VanDerWaalsContact O-N 3.16Å; W451-K455 HydrophobicContact CD2-CG 4.24Å; W451-K455 HydrophobicContact CH2-CG 4.47Å; W451-K455 HydrophobicContact CZ2-CD 4.27Å; W451-K455 HydrophobicContact CZ2-CG 3.98Å; W451-K455 WeakPolarHBondContact O-CG 3.4Å; W451-K455 PolarHBondContact O-N 3.31Å; W451-F479 HydrophobicContact CD2-CZ 4.13Å; W451-F479 AromaticContact CE3-CE2 3.65Å; W451-F479 HydrophobicContact CE3-CE2 3.65Å; W451-F479 AromaticContact CE3-CZ 3.53Å; W451-F479 HydrophobicContact CE3-CZ 3.53Å; W451-F479 HydrophobicContact CH2-CE2 4.41Å; W451-F479 AromaticContact CZ3-CE2 3.55Å; W451-F479 HydrophobicContact CZ3-CE2 3.55Å; W451-F479 AromaticContact CZ3-CZ 3.9Å; W451-F479 HydrophobicContact CZ3-CZ 3.9Å; W451-D498 HydrophobicContact CD2-CB 4.09Å; W451-D498 HydrophobicContact CG-CB 3.98Å; W451-D498 WeakPolarHBondContact CZ2-O 3.24Å; W451-E501 HydrophobicContact CZ2-CB 4.08Å; W451-E501 HydrophobicContact CZ2-CG 4.2Å; W451-E501 PolarHBondContact NE1-OE2 3.31Å; W451-L502 HydrophobicContact CH2-CB 3.47Å; W451-L502 VanDerWaalsContact CH2-CB 3.47Å; W451-L502 HydrophobicContact CH2-CD1 3.7Å; W451-L502 HydrophobicContact CH2-CG 4.1Å; W451-L502 HydrophobicContact CZ2-CB 4.2Å; W451-L502 HydrophobicContact CZ3-CB 4.17Å; W451-L502 HydrophobicContact CZ3-CD1 4.06Å; W451-Y506 HydrophobicContact CH2-CE2 4.45Å; W451-Y506 HydrophobicContact CZ2-CE2 4.45Å
452	G	81.7	Confident	81.2	Confident	45 Å²	45	56.1 Å²	56.1	46%	0.464	27%	0.271	S	S	.	.	H	α-helix	trans	-56.4	-40.5	174	0	0	0	0	0	113.6	L450 V456	L450-G452 VanDerWaalsContact C-N 3.28Å; L450-G452 PolarHBondContact O-N 3.12Å; L450-G452 VanDerWaalsContact O-N 3.13Å; G452-V456 WeakPolarHBondContact O-CG2 3.43Å; G452-V456 PolarHBondContact O-N 2.9Å
453	H	84.1	Confident	80.3	Confident	84 Å²	84	64.4 Å²	64.4	39%	0.389	31%	0.307	S	S	.	.	H	α-helix	trans	-73	-39.7	175.4	-69.5	-77.7	0	0	0	112.2	L424 L450 W451 K455 V456 W457	L424-H453 WeakPolarHBondContact CD2-CD2 3.05Å; L424-H453 WeakPolarHBondContact CD2-NE2 3.22Å; L450-H453 HydrophobicContact CD1-CB 4.14Å; L450-H453 WeakPolarHBondContact O-CA 3.23Å; L450-H453 WeakPolarHBondContact O-CB 3.2Å; L450-H453 PolarHBondContact O-N 3.4Å; W451-H453 VanDerWaalsContact C-N 3.3Å; W451-H453 PolarHBondContact O-N 2.9Å; H453-K455 VanDerWaalsContact C-N 3.26Å; H453-K455 PolarHBondContact O-N 3.43Å; H453-V456 WeakPolarHBondContact O-CB 3.25Å; H453-V456 PolarHBondContact O-N 2.94Å; H453-V456 VanDerWaalsContact O-N 3.11Å; H453-W457 HydrophobicContact CB-CH2 4.44Å; H453-W457 HydrophobicContact CB-CZ2 4.18Å; H453-W457 VanDerWaalsContact O-CG 3.28Å; H453-W457 PolarHBondContact O-N 3.35Å
454	V	86.7	Confident	79.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-41.1	175.5	-179.3	0	0	0	0	110.7	I438 L450 W451 V456 W457 L458 V471 A475	I438-V454 HydrophobicContact CD1-CG1 4.49Å; I438-V454 HydrophobicContact CD1-CG2 4.22Å; I438-V454 HydrophobicContact CG1-CG2 4.11Å; L450-V454 HydrophobicContact CD2-CG2 4.12Å; L450-V454 HydrophobicContact CG-CG2 3.98Å; L450-V454 PolarHBondContact O-N 3.35Å; W451-V454 HydrophobicContact CE3-CB 3.82Å; W451-V454 HydrophobicContact CE3-CG1 3.92Å; W451-V454 HydrophobicContact CE3-CG2 4.42Å; W451-V454 HydrophobicContact CZ3-CB 4.04Å; W451-V454 HydrophobicContact CZ3-CG1 3.61Å; W451-V454 PolarHBondContact O-N 3.08Å; W451-V454 VanDerWaalsContact O-N 3.16Å; V454-V456 VanDerWaalsContact C-N 3.35Å; V454-V456 PolarHBondContact O-N 3.05Å; V454-W457 HydrophobicContact CG2-CE3 4.28Å; V454-W457 HydrophobicContact CG2-CZ3 4.31Å; V454-W457 PolarHBondContact O-N 3.01Å; V454-L458 HydrophobicContact CG1-CD1 3.95Å; V454-L458 HydrophobicContact CG1-CG 4.28Å; V454-L458 WeakPolarHBondContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CG 3.3Å; V454-L458 PolarHBondContact O-N 3.27Å; V454-V471 HydrophobicContact CG1-CG1 4.44Å; V454-A475 HydrophobicContact CG1-CB 4.16Å
455	K	86	Confident	79.6	Confident	66 Å²	66	69.2 Å²	69.2	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-43.8	175	-70.9	-164.8	-74.2	-166	0	112.5	W451 H453 L458 W459 E501 Y506	W451-K455 HydrophobicContact CD2-CG 4.24Å; W451-K455 HydrophobicContact CH2-CG 4.47Å; W451-K455 HydrophobicContact CZ2-CD 4.27Å; W451-K455 HydrophobicContact CZ2-CG 3.98Å; W451-K455 WeakPolarHBondContact O-CG 3.4Å; W451-K455 PolarHBondContact O-N 3.31Å; H453-K455 VanDerWaalsContact C-N 3.26Å; H453-K455 PolarHBondContact O-N 3.43Å; K455-L458 PolarHBondContact O-N 2.97Å; K455-W459 WeakPolarHBondContact O-CB 3.35Å; K455-W459 PolarHBondContact O-N 2.92Å; K455-E501 IonicContact NZ-OE1 3.72Å; K455-E501 PolarHBondContact NZ-OE1 3.43Å; K455-E501 IonicContact NZ-OE2 3.59Å; K455-Y506 WeakPolarHBondContact CB-OH 3.38Å; K455-Y506 WeakPolarHBondContact CG-OH 3.36Å
456	V	83.2	Confident	79.7	Confident	75 Å²	75	72.2 Å²	72.2	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-42.2	176.5	173.5	0	0	0	0	110.8	G452 H453 V454 W459 L460	G452-V456 WeakPolarHBondContact O-CG2 3.43Å; G452-V456 PolarHBondContact O-N 2.9Å; H453-V456 WeakPolarHBondContact O-CB 3.25Å; H453-V456 PolarHBondContact O-N 2.94Å; H453-V456 VanDerWaalsContact O-N 3.11Å; V454-V456 VanDerWaalsContact C-N 3.35Å; V454-V456 PolarHBondContact O-N 3.05Å; V456-W459 PolarHBondContact O-N 3.24Å; V456-L460 HydrophobicContact CG1-CD1 3.56Å; V456-L460 HydrophobicContact CG1-CG 4.24Å; V456-L460 WeakPolarHBondContact O-CB 3.28Å; V456-L460 WeakPolarHBondContact O-CG 3.25Å; V456-L460 PolarHBondContact O-N 3.46Å
457	W	84.7	Confident	79.7	Confident	21 Å²	21	75 Å²	75	8%	0.08	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-44.9	177.1	-62.7	-24.4	0	0	0	112.5	L424 N434 I437 I438 L450 H453 V454 W459 Q461 V471	L424-W457 HydrophobicContact CD1-CH2 4.1Å; L424-W457 HydrophobicContact CD1-CZ2 4.19Å; N434-W457 HydrophobicContact CB-CD2 4.14Å; N434-W457 HydrophobicContact CB-CE3 3.92Å; N434-W457 HydrophobicContact CB-CZ3 4.19Å; I437-W457 HydrophobicContact CB-CH2 4.16Å; I437-W457 HydrophobicContact CD1-CH2 4.23Å; I437-W457 HydrophobicContact CD1-CZ2 4.48Å; I437-W457 HydrophobicContact CG2-CH2 3.87Å; I438-W457 HydrophobicContact CD1-CE3 4.34Å; I438-W457 HydrophobicContact CD1-CZ3 4.27Å; I438-W457 HydrophobicContact CG1-CZ3 3.97Å; L450-W457 HydrophobicContact CD1-CH2 4.06Å; L450-W457 HydrophobicContact CD1-CZ3 4.48Å; L450-W457 HydrophobicContact CD2-CH2 4.4Å; L450-W457 HydrophobicContact CD2-CZ3 4.17Å; L450-W457 HydrophobicContact CG-CH2 4.49Å; L450-W457 HydrophobicContact CG-CZ3 4.42Å; H453-W457 HydrophobicContact CB-CH2 4.44Å; H453-W457 HydrophobicContact CB-CZ2 4.18Å; H453-W457 VanDerWaalsContact O-CG 3.28Å; H453-W457 PolarHBondContact O-N 3.35Å; V454-W457 HydrophobicContact CG2-CE3 4.28Å; V454-W457 HydrophobicContact CG2-CZ3 4.31Å; V454-W457 PolarHBondContact O-N 3.01Å; W457-W459 VanDerWaalsContact C-N 3.26Å; W457-W459 PolarHBondContact O-N 3.06Å; W457-Q461 WeakPolarHBondContact O-CB 3.16Å; W457-Q461 WeakPolarHBondContact O-CG 3.43Å; W457-Q461 PolarHBondContact O-N 2.99Å; W457-V471 HydrophobicContact CB-CG1 4.21Å
458	L	84.9	Confident	79.8	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-32	176.3	-71.6	171.6	0	0	0	112.5	V454 K455 F468 V471 Y472 L502 Y506	V454-L458 HydrophobicContact CG1-CD1 3.95Å; V454-L458 HydrophobicContact CG1-CG 4.28Å; V454-L458 WeakPolarHBondContact O-CB 3.31Å; V454-L458 WeakPolarHBondContact O-CG 3.3Å; V454-L458 PolarHBondContact O-N 3.27Å; K455-L458 PolarHBondContact O-N 2.97Å; L458-F468 HydrophobicContact CB-CE2 4.27Å; L458-F468 HydrophobicContact CD2-CD2 4Å; L458-F468 HydrophobicContact CD2-CE2 3.71Å; L458-F468 HydrophobicContact CD2-CZ 4.3Å; L458-V471 HydrophobicContact CD2-CB 4.31Å; L458-V471 HydrophobicContact CD2-CG1 3.82Å; L458-V471 HydrophobicContact CG-CG1 4.08Å; L458-Y472 HydrophobicContact CD2-CD2 4.28Å; L458-L502 HydrophobicContact CD1-CD1 3.52Å; L458-Y506 HydrophobicContact CB-CD1 3.85Å; L458-Y506 HydrophobicContact CB-CE1 3.7Å; L458-Y506 HydrophobicContact CD1-CD1 4.07Å; L458-Y506 HydrophobicContact CD1-CD2 4.22Å; L458-Y506 HydrophobicContact CD1-CE1 4.15Å; L458-Y506 HydrophobicContact CD1-CE2 4.29Å; L458-Y506 HydrophobicContact CD1-CG 4.1Å
459	W	76	Confident	80	Confident	177 Å²	177	76.5 Å²	76.5	67%	0.67	36%	0.362	S	S	*	.	H	α-helix	trans	-76.8	-48	178.7	-168.9	78.7	0	0	0	112.5	K455 V456 W457 Q461 R462	K455-W459 WeakPolarHBondContact O-CB 3.35Å; K455-W459 PolarHBondContact O-N 2.92Å; V456-W459 PolarHBondContact O-N 3.24Å; W457-W459 VanDerWaalsContact C-N 3.26Å; W457-W459 PolarHBondContact O-N 3.06Å; W459-Q461 VanDerWaalsContact C-N 3.31Å; W459-Q461 PolarHBondContact O-N 2.95Å; W459-R462 PolarHBondContact O-N 3.02Å
460	L	74.8	Confident	80.3	Confident	108 Å²	108	73.6 Å²	73.6	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-63.8	-35.6	178.4	-74.9	167.6	0	0	0	112.4	V456 R462	V456-L460 HydrophobicContact CG1-CD1 3.56Å; V456-L460 HydrophobicContact CG1-CG 4.24Å; V456-L460 WeakPolarHBondContact O-CB 3.28Å; V456-L460 WeakPolarHBondContact O-CG 3.25Å; V456-L460 PolarHBondContact O-N 3.46Å; L460-R462 VanDerWaalsContact C-N 3.29Å; L460-R462 PolarHBondContact O-N 3.44Å
461	Q	69.2	Low	80.4	Confident	33 Å²	33	73.7 Å²	73.7	15%	0.154	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-85.3	5.7	-174.2	-64.1	-67.5	-6.4	0	0	114.4	W457 W459 E463 R464 E467 F468	W457-Q461 WeakPolarHBondContact O-CB 3.16Å; W457-Q461 WeakPolarHBondContact O-CG 3.43Å; W457-Q461 PolarHBondContact O-N 2.99Å; W459-Q461 VanDerWaalsContact C-N 3.31Å; W459-Q461 PolarHBondContact O-N 2.95Å; Q461-E463 PolarHBondContact O-N 2.86Å; Q461-R464 CarbonylContact O-C 3.57Å; Q461-R464 PolarHBondContact O-N 3.48Å; Q461-E467 HydrophobicContact CB-CB 4.49Å; Q461-E467 HydrophobicContact CG-CB 4.3Å; Q461-E467 PolarHBondContact NE2-OE2 2.95Å; Q461-E467 PolarHBondContact OE1-OE2 3.27Å; Q461-F468 HydrophobicContact CB-CB 4.35Å
462	R	59.9	Low	80.6	Confident	149 Å²	149	73.3 Å²	73.3	56%	0.562	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-56.3	-23.2	178.9	-95.9	-174.5	170	-175.8	-0.2	114.2	W459 L460	W459-R462 PolarHBondContact O-N 3.02Å; L460-R462 VanDerWaalsContact C-N 3.29Å; L460-R462 PolarHBondContact O-N 3.44Å
463	E	66	Low	80.9	Confident	188 Å²	188	74 Å²	74	88%	0.879	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-83	-22.2	177.4	-63.5	-174.4	170.6	0	0	113.6	Q461	Q461-E463 PolarHBondContact O-N 2.86Å
464	R	76.1	Confident	81.2	Confident	152 Å²	152	70.4 Å²	70.4	57%	0.574	34%	0.336	S	S	*	.			trans	-112.6	94.1	-178.6	-66.9	-175.1	-178.6	-174.2	2.3	110.6	Q461 S466 E467 F468	Q461-R464 CarbonylContact O-C 3.57Å; Q461-R464 PolarHBondContact O-N 3.48Å; R464-S466 VanDerWaalsContact C-N 3.28Å; R464-S466 PolarHBondContact O-N 3.38Å; R464-E467 HydrophobicContact CB-CB 4.24Å; R464-E467 VanDerWaalsContact CD-OE1 3.29Å; R464-E467 WeakPolarHBondContact CD-OE1 3.23Å; R464-E467 IonicContact CZ-OE1 3.81Å; R464-E467 IonicContact NE-OE1 2.6Å; R464-E467 IonicContact NH1-OE1 2.74Å; R464-E467 PolarHBondContact NH1-OE1 3.31Å; R464-E467 PolarHBondContact O-N 2.99Å; R464-F468 PolarHBondContact O-N 3.38Å
465	E	76.4	Confident	81.3	Confident	157 Å²	157	70.3 Å²	70.3	73%	0.734	34%	0.335	S	S	*	.	H	α-helix	trans	-53.6	-39.4	-176.7	-71.7	-172.3	163.5	0	0	113.8	N469	E465-N469 VanDerWaalsContact O-CB 3.27Å; E465-N469 WeakPolarHBondContact O-CB 3.38Å; E465-N469 PolarHBondContact O-N 3.18Å; E465-N469 PolarHBondContact O-ND2 3.11Å; E465-N469 PolarHBondContact O-OD1 2.79Å
466	S	80.7	Confident	81.5	Confident	92 Å²	92	67.3 Å²	67.3	64%	0.643	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-41.9	-179	57.1	0	0	0	0	113.4	R464 S470	R464-S466 VanDerWaalsContact C-N 3.28Å; R464-S466 PolarHBondContact O-N 3.38Å; S466-S470 PolarHBondContact O-N 3.13Å; S466-S470 VanDerWaalsContact O-N 3.12Å
467	E	80.5	Confident	81.8	Confident	62 Å²	62	67 Å²	67	29%	0.29	32%	0.316	S	S	.	.	H	α-helix	trans	-74.1	-39.2	178.2	-71.4	-175.7	-139.3	0	0	111.2	Q461 R464 N469 S470 V471	Q461-E467 HydrophobicContact CB-CB 4.49Å; Q461-E467 HydrophobicContact CG-CB 4.3Å; Q461-E467 PolarHBondContact NE2-OE2 2.95Å; Q461-E467 PolarHBondContact OE1-OE2 3.27Å; R464-E467 HydrophobicContact CB-CB 4.24Å; R464-E467 VanDerWaalsContact CD-OE1 3.29Å; R464-E467 WeakPolarHBondContact CD-OE1 3.23Å; R464-E467 IonicContact CZ-OE1 3.81Å; R464-E467 IonicContact NE-OE1 2.6Å; R464-E467 IonicContact NH1-OE1 2.74Å; R464-E467 PolarHBondContact NH1-OE1 3.31Å; R464-E467 PolarHBondContact O-N 2.99Å; E467-N469 VanDerWaalsContact C-N 3.35Å; E467-N469 PolarHBondContact O-N 3.29Å; E467-S470 PolarHBondContact O-N 2.67Å; E467-S470 PolarHBondContact O-OG 2.91Å; E467-V471 WeakPolarHBondContact O-CG2 3.33Å; E467-V471 PolarHBondContact O-N 2.82Å; E467-V471 VanDerWaalsContact O-N 3.11Å
468	F	86.7	Confident	81.9	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-58.5	-47.5	172.1	178.2	-92.7	0	0	0	111.3	L458 Q461 R464 S470 V471 Y472 P507 P509	L458-F468 HydrophobicContact CB-CE2 4.27Å; L458-F468 HydrophobicContact CD2-CD2 4Å; L458-F468 HydrophobicContact CD2-CE2 3.71Å; L458-F468 HydrophobicContact CD2-CZ 4.3Å; Q461-F468 HydrophobicContact CB-CB 4.35Å; R464-F468 PolarHBondContact O-N 3.38Å; F468-S470 PolarHBondContact O-N 2.74Å; F468-V471 PolarHBondContact O-N 2.81Å; F468-Y472 HydrophobicContact CE1-CD2 4.38Å; F468-Y472 HydrophobicContact CZ-CD2 4.12Å; F468-Y472 VanDerWaalsContact O-CB 3.3Å; F468-Y472 WeakPolarHBondContact O-CB 3.39Å; F468-Y472 PolarHBondContact O-N 3.34Å; F468-P507 HydrophobicContact CE1-CG 4.2Å; F468-P507 WeakPolarHBondContact CE1-O 3.37Å; F468-P507 HydrophobicContact CZ-CG 3.84Å; F468-P507 WeakPolarHBondContact CZ-O 3.25Å; F468-P509 HydrophobicContact CE1-CG 4.28Å
469	N	86.4	Confident	82	Confident	57 Å²	57	66.3 Å²	66.3	31%	0.305	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-38.9	-179.2	-68.9	-12.7	0	0	0	112.1	E465 E467 N473 P509	E465-N469 VanDerWaalsContact O-CB 3.27Å; E465-N469 WeakPolarHBondContact O-CB 3.38Å; E465-N469 PolarHBondContact O-N 3.18Å; E465-N469 PolarHBondContact O-ND2 3.11Å; E465-N469 PolarHBondContact O-OD1 2.79Å; E467-N469 VanDerWaalsContact C-N 3.35Å; E467-N469 PolarHBondContact O-N 3.29Å; N469-N473 VanDerWaalsContact O-CB 3.23Å; N469-N473 WeakPolarHBondContact O-CB 3.39Å; N469-N473 PolarHBondContact O-N 2.86Å; N469-N473 PolarHBondContact O-ND2 2.87Å; N469-N473 VanDerWaalsContact O-ND2 3.15Å; N469-P509 HydrophobicContact CB-CB 4.39Å; N469-P509 HydrophobicContact CB-CG 4.2Å; N469-P509 VanDerWaalsContact OD1-CB 3.29Å; N469-P509 WeakPolarHBondContact OD1-CB 3.35Å; N469-P509 WeakPolarHBondContact OD1-CG 3.41Å
470	S	88.1	Confident	82.3	Confident	54 Å²	54	58.2 Å²	58.2	38%	0.378	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-43.2	179.1	75.2	0	0	0	0	112.1	S466 E467 F468 A474	S466-S470 PolarHBondContact O-N 3.13Å; S466-S470 VanDerWaalsContact O-N 3.12Å; E467-S470 PolarHBondContact O-N 2.67Å; E467-S470 PolarHBondContact O-OG 2.91Å; F468-S470 PolarHBondContact O-N 2.74Å; S470-A474 VanDerWaalsContact O-CB 3.24Å; S470-A474 WeakPolarHBondContact O-CB 3.49Å; S470-A474 PolarHBondContact O-N 3.24Å
471	V	89	Confident	82.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-46.2	176.5	174.6	0	0	0	0	110.8	N434 I438 V454 W457 L458 E467 F468 A474 A475	N434-V471 HydrophobicContact CB-CG2 3.72Å; I438-V471 HydrophobicContact CD1-CG1 3.91Å; V454-V471 HydrophobicContact CG1-CG1 4.44Å; W457-V471 HydrophobicContact CB-CG1 4.21Å; L458-V471 HydrophobicContact CD2-CB 4.31Å; L458-V471 HydrophobicContact CD2-CG1 3.82Å; L458-V471 HydrophobicContact CG-CG1 4.08Å; E467-V471 WeakPolarHBondContact O-CG2 3.33Å; E467-V471 PolarHBondContact O-N 2.82Å; E467-V471 VanDerWaalsContact O-N 3.11Å; F468-V471 PolarHBondContact O-N 2.81Å; V471-A474 PolarHBondContact O-N 3.37Å; V471-A475 WeakPolarHBondContact O-CB 3.44Å; V471-A475 PolarHBondContact O-N 3.16Å
472	Y	90.5	Very high	83.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-48.5	178.8	-170.7	-79.6	0	0	0	111.4	L458 F468 A475 F476 L502 C508 P509	L458-Y472 HydrophobicContact CD2-CD2 4.28Å; F468-Y472 HydrophobicContact CE1-CD2 4.38Å; F468-Y472 HydrophobicContact CZ-CD2 4.12Å; F468-Y472 VanDerWaalsContact O-CB 3.3Å; F468-Y472 WeakPolarHBondContact O-CB 3.39Å; F468-Y472 PolarHBondContact O-N 3.34Å; Y472-A475 PolarHBondContact O-N 3.36Å; Y472-F476 HydrophobicContact CD1-CB 4.46Å; Y472-F476 HydrophobicContact CE1-CB 4.36Å; Y472-F476 VanDerWaalsContact O-CB 3.23Å; Y472-F476 WeakPolarHBondContact O-CB 2.75Å; Y472-F476 PolarHBondContact O-N 3.29Å; Y472-L502 HydrophobicContact CD2-CD1 3.93Å; Y472-L502 HydrophobicContact CE2-CD1 3.79Å; Y472-L502 HydrophobicContact CE2-CG 4.04Å; Y472-C508 HydrophobicContact CE1-CB 4.03Å; Y472-C508 WeakPolarHBondContact OH-CB 3.33Å; Y472-P509 HydrophobicContact CD1-CG 4.04Å; Y472-P509 HydrophobicContact CG-CG 4.15Å
473	N	89.4	Confident	83.8	Confident	60 Å²	60	50 Å²	50	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-39.3	-179.3	-71.2	-23.3	0	0	0	111.8	N469 F476 E477	N469-N473 VanDerWaalsContact O-CB 3.23Å; N469-N473 WeakPolarHBondContact O-CB 3.39Å; N469-N473 PolarHBondContact O-N 2.86Å; N469-N473 PolarHBondContact O-ND2 2.87Å; N469-N473 VanDerWaalsContact O-ND2 3.15Å; N473-F476 PolarHBondContact O-N 2.87Å; N473-E477 WeakPolarHBondContact O-CB 3.08Å; N473-E477 WeakPolarHBondContact O-CG 3.45Å; N473-E477 PolarHBondContact O-N 2.96Å
474	A	89	Confident	83.7	Confident	8 Å²	8	46.8 Å²	46.8	7%	0.066	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-44.9	174.9	0	0	0	0	0	111.9	A435 I438 S470 V471 A478	A435-A474 HydrophobicContact CB-CB 3.77Å; I438-A474 HydrophobicContact CB-CB 4.3Å; I438-A474 HydrophobicContact CD1-CB 4.28Å; I438-A474 HydrophobicContact CG2-CB 4.22Å; S470-A474 VanDerWaalsContact O-CB 3.24Å; S470-A474 WeakPolarHBondContact O-CB 3.49Å; S470-A474 PolarHBondContact O-N 3.24Å; V471-A474 PolarHBondContact O-N 3.37Å; A474-A478 WeakPolarHBondContact O-CB 3.43Å; A474-A478 PolarHBondContact O-N 2.81Å
475	A	89.9	Confident	83.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-45.7	175.5	0	0	0	0	0	111.3	I438 V454 V471 Y472 A478 F479 L502	I438-A475 HydrophobicContact CD1-CB 4.33Å; V454-A475 HydrophobicContact CG1-CB 4.16Å; V471-A475 WeakPolarHBondContact O-CB 3.44Å; V471-A475 PolarHBondContact O-N 3.16Å; Y472-A475 PolarHBondContact O-N 3.36Å; A475-A478 PolarHBondContact O-N 2.76Å; A475-F479 HydrophobicContact CB-CD2 4.43Å; A475-F479 HydrophobicContact CB-CE2 4.41Å; A475-F479 WeakPolarHBondContact O-CD2 3.44Å; A475-F479 PolarHBondContact O-N 3.29Å; A475-L502 HydrophobicContact CB-CD2 3.95Å
476	F	90.7	Very high	82.3	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-49.9	179.1	179.2	-93.8	0	0	0	112.3	Y472 N473 F479 L480 F499 L502 L503 C514 K517 I518	Y472-F476 HydrophobicContact CD1-CB 4.46Å; Y472-F476 HydrophobicContact CE1-CB 4.36Å; Y472-F476 VanDerWaalsContact O-CB 3.23Å; Y472-F476 WeakPolarHBondContact O-CB 2.75Å; Y472-F476 PolarHBondContact O-N 3.29Å; N473-F476 PolarHBondContact O-N 2.87Å; F476-F479 PolarHBondContact O-N 2.92Å; F476-L480 HydrophobicContact CD1-CD1 3.75Å; F476-L480 HydrophobicContact CD1-CG 4.49Å; F476-L480 HydrophobicContact CE1-CD1 3.14Å; F476-L480 HydrophobicContact CE1-CG 4.14Å; F476-L480 HydrophobicContact CE2-CD1 4.29Å; F476-L480 HydrophobicContact CZ-CD1 3.45Å; F476-L480 VanDerWaalsContact CZ-CD1 3.45Å; F476-L480 HydrophobicContact CZ-CG 4.17Å; F476-L480 WeakPolarHBondContact O-CB 3.32Å; F476-L480 WeakPolarHBondContact O-CG 3.36Å; F476-L480 PolarHBondContact O-N 3.04Å; F476-F499 AromaticContact CD2-CE2 3.82Å; F476-F499 HydrophobicContact CD2-CE2 3.82Å; F476-F499 HydrophobicContact CD2-CZ 4.13Å; F476-F499 HydrophobicContact CE2-CE2 4.1Å; F476-F499 AromaticContact CE2-CZ 3.96Å; F476-F499 HydrophobicContact CE2-CZ 3.96Å; F476-L502 HydrophobicContact CB-CD2 4.46Å; F476-L503 HydrophobicContact CD2-CD2 3.97Å; F476-L503 HydrophobicContact CE2-CD2 3.89Å; F476-C514 HydrophobicContact CD2-CB 4.36Å; F476-C514 HydrophobicContact CE1-CB 4.06Å; F476-C514 HydrophobicContact CE2-CB 3.62Å; F476-C514 VanDerWaalsContact CZ-CA 3.46Å; F476-C514 HydrophobicContact CZ-CB 3.45Å; F476-C514 VanDerWaalsContact CZ-CB 3.45Å; F476-K517 HydrophobicContact CE1-CB 4.24Å; F476-K517 HydrophobicContact CE1-CD 3.84Å; F476-K517 HydrophobicContact CZ-CB 4.27Å; F476-I518 HydrophobicContact CE2-CD1 4.1Å; F476-I518 HydrophobicContact CE2-CG1 4.22Å; F476-I518 HydrophobicContact CZ-CD1 4.46Å; F476-I518 HydrophobicContact CZ-CG1 4.19Å
477	E	88.7	Confident	80.8	Confident	68 Å²	68	45.4 Å²	45.4	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-64.8	-38.6	176.6	-71	-66.1	162.4	0	0	112.1	N473 N481 K517	N473-E477 WeakPolarHBondContact O-CB 3.08Å; N473-E477 WeakPolarHBondContact O-CG 3.45Å; N473-E477 PolarHBondContact O-N 2.96Å; E477-N481 WeakPolarHBondContact O-CB 3.22Å; E477-N481 VanDerWaalsContact O-CG 3.29Å; E477-N481 PolarHBondContact O-N 3.45Å; E477-N481 PolarHBondContact O-ND2 3.48Å; E477-K517 IonicContact OE1-NZ 3.02Å; E477-K517 PolarHBondContact OE1-NZ 3.17Å
478	A	86.7	Confident	79.6	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-51	175.6	0	0	0	0	0	111.7	I438 A442 L447 A474 A475 L480 N481 S482	I438-A478 HydrophobicContact CG2-CB 3.73Å; A442-A478 HydrophobicContact CB-CB 3.59Å; L447-A478 HydrophobicContact CD1-CB 4.05Å; L447-A478 HydrophobicContact CD2-CB 3.82Å; A474-A478 WeakPolarHBondContact O-CB 3.43Å; A474-A478 PolarHBondContact O-N 2.81Å; A475-A478 PolarHBondContact O-N 2.76Å; A478-L480 PolarHBondContact O-N 2.91Å; A478-N481 PolarHBondContact O-N 3.44Å; A478-S482 WeakPolarHBondContact O-CB 3.42Å; A478-S482 PolarHBondContact O-N 2.69Å; A478-S482 PolarHBondContact O-OG 2.75Å; A478-S482 VanDerWaalsContact O-OG 3.06Å
479	F	87.6	Confident	78.3	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-40.8	178.2	-80.9	-65.8	0	0	0	112.4	L447 W451 A475 F476 S483 L495 D498 F499 L502	L447-F479 HydrophobicContact CD2-CB 4.31Å; L447-F479 HydrophobicContact CD2-CD1 3.39Å; L447-F479 HydrophobicContact CD2-CD2 4.01Å; L447-F479 HydrophobicContact CD2-CE1 3.53Å; L447-F479 HydrophobicContact CD2-CE2 4.12Å; L447-F479 HydrophobicContact CD2-CG 3.63Å; L447-F479 HydrophobicContact CD2-CZ 3.89Å; L447-F479 HydrophobicContact CG-CD1 4.3Å; L447-F479 HydrophobicContact CG-CE1 3.94Å; L447-F479 HydrophobicContact CG-CE2 4.47Å; L447-F479 HydrophobicContact CG-CZ 4.02Å; W451-F479 HydrophobicContact CD2-CZ 4.13Å; W451-F479 AromaticContact CE3-CE2 3.65Å; W451-F479 HydrophobicContact CE3-CE2 3.65Å; W451-F479 AromaticContact CE3-CZ 3.53Å; W451-F479 HydrophobicContact CE3-CZ 3.53Å; W451-F479 HydrophobicContact CH2-CE2 4.41Å; W451-F479 AromaticContact CZ3-CE2 3.55Å; W451-F479 HydrophobicContact CZ3-CE2 3.55Å; W451-F479 AromaticContact CZ3-CZ 3.9Å; W451-F479 HydrophobicContact CZ3-CZ 3.9Å; A475-F479 HydrophobicContact CB-CD2 4.43Å; A475-F479 HydrophobicContact CB-CE2 4.41Å; A475-F479 WeakPolarHBondContact O-CD2 3.44Å; A475-F479 PolarHBondContact O-N 3.29Å; F476-F479 PolarHBondContact O-N 2.92Å; F479-S483 WeakPolarHBondContact O-CB 3.39Å; F479-S483 PolarHBondContact O-N 3.07Å; F479-S483 PolarHBondContact O-OG 3.24Å; F479-L495 HydrophobicContact CD1-CD2 4.37Å; F479-L495 HydrophobicContact CE1-CD2 4.14Å; F479-D498 HydrophobicContact CE1-CB 3.77Å; F479-D498 HydrophobicContact CZ-CB 3.88Å; F479-F499 HydrophobicContact CB-CB 4.06Å; F479-F499 HydrophobicContact CB-CD1 4.34Å; F479-F499 HydrophobicContact CB-CD2 3.41Å; F479-F499 VanDerWaalsContact CB-CD2 3.41Å; F479-F499 HydrophobicContact CB-CE2 3.84Å; F479-F499 HydrophobicContact CB-CG 3.71Å; F479-F499 HydrophobicContact CB-CZ 4.47Å; F479-F499 HydrophobicContact CD1-CB 3.89Å; F479-F499 HydrophobicContact CD1-CG 4.48Å; F479-F499 HydrophobicContact CD2-CD2 4.05Å; F479-F499 HydrophobicContact CG-CB 3.95Å; F479-F499 AromaticContact CG-CD2 3.8Å; F479-F499 HydrophobicContact CG-CD2 3.8Å; F479-F499 HydrophobicContact CG-CG 4.08Å; F479-L502 HydrophobicContact CD2-CD2 3.86Å; F479-L502 HydrophobicContact CE2-CD2 4.2Å
480	L	82.8	Confident	77.1	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-47.8	175.7	-77.5	177.8	0	0	0	112	F476 A478 S483 M484 F499 K517 I518 L521	F476-L480 HydrophobicContact CD1-CD1 3.75Å; F476-L480 HydrophobicContact CD1-CG 4.49Å; F476-L480 HydrophobicContact CE1-CD1 3.14Å; F476-L480 HydrophobicContact CE1-CG 4.14Å; F476-L480 HydrophobicContact CE2-CD1 4.29Å; F476-L480 HydrophobicContact CZ-CD1 3.45Å; F476-L480 VanDerWaalsContact CZ-CD1 3.45Å; F476-L480 HydrophobicContact CZ-CG 4.17Å; F476-L480 WeakPolarHBondContact O-CB 3.32Å; F476-L480 WeakPolarHBondContact O-CG 3.36Å; F476-L480 PolarHBondContact O-N 3.04Å; A478-L480 PolarHBondContact O-N 2.91Å; L480-S483 PolarHBondContact O-N 3.15Å; L480-M484 WeakPolarHBondContact O-CG 3.27Å; L480-M484 PolarHBondContact O-N 2.98Å; L480-F499 HydrophobicContact CD2-CE1 3.88Å; L480-F499 HydrophobicContact CD2-CZ 3.73Å; L480-F499 HydrophobicContact CG-CE1 4.46Å; L480-F499 HydrophobicContact CG-CZ 3.94Å; L480-K517 HydrophobicContact CD1-CB 3.97Å; L480-K517 HydrophobicContact CD1-CD 4.4Å; L480-I518 HydrophobicContact CD2-CG1 4.4Å; L480-L521 HydrophobicContact CD2-CD1 3.71Å
481	N	83.6	Confident	75.9	Confident	90 Å²	90	56 Å²	56	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-69.7	-37.7	-178.3	-72.3	-40.5	0	0	0	112.5	E477 A478 M484 R485	E477-N481 WeakPolarHBondContact O-CB 3.22Å; E477-N481 VanDerWaalsContact O-CG 3.29Å; E477-N481 PolarHBondContact O-N 3.45Å; E477-N481 PolarHBondContact O-ND2 3.48Å; A478-N481 PolarHBondContact O-N 3.44Å; N481-M484 WeakPolarHBondContact O-CB 3.41Å; N481-M484 PolarHBondContact O-N 3.18Å; N481-R485 PolarHBondContact O-N 2.62Å
482	S	79	Confident	74.9	Confident	7 Å²	7	57.2 Å²	57.2	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-37.3	175.3	-62.6	0	0	0	0	111.9	A478 M484 R485 N486	A478-S482 WeakPolarHBondContact O-CB 3.42Å; A478-S482 PolarHBondContact O-N 2.69Å; A478-S482 PolarHBondContact O-OG 2.75Å; A478-S482 VanDerWaalsContact O-OG 3.06Å; S482-M484 PolarHBondContact O-N 3.31Å; S482-R485 PolarHBondContact O-N 3.28Å; S482-R485 VanDerWaalsContact O-N 3.13Å; S482-N486 PolarHBondContact O-N 3.09Å
483	S	72	Confident	73.9	Confident	20 Å²	20	60.4 Å²	60.4	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-26.2	175.4	-59.3	0	0	0	0	112.9	F479 L480 Y523	F479-S483 WeakPolarHBondContact O-CB 3.39Å; F479-S483 PolarHBondContact O-N 3.07Å; F479-S483 PolarHBondContact O-OG 3.24Å; L480-S483 PolarHBondContact O-N 3.15Å; S483-Y523 PolarHBondContact O-OH 3.06Å; S483-Y523 VanDerWaalsContact O-OH 3.09Å
484	M	64.8	Low	73.2	Confident	121 Å²	121	61.9 Å²	61.9	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-79.9	-22.8	176.2	-69.4	-75	-77.1	0	0	113.9	L480 N481 S482 L521	L480-M484 WeakPolarHBondContact O-CG 3.27Å; L480-M484 PolarHBondContact O-N 2.98Å; N481-M484 WeakPolarHBondContact O-CB 3.41Å; N481-M484 PolarHBondContact O-N 3.18Å; S482-M484 PolarHBondContact O-N 3.31Å; M484-L521 HydrophobicContact CE-CD2 3.99Å; M484-L521 HydrophobicContact CG-CD1 4.37Å; M484-L521 HydrophobicContact CG-CD2 4.5Å; M484-L521 HydrophobicContact SD-CD1 4.26Å; M484-L521 HydrophobicContact SD-CD2 3.65Å; M484-L521 HydrophobicContact SD-CG 4.48Å
485	R	64.6	Low	72.7	Confident	173 Å²	173	61.8 Å²	61.8	65%	0.653	33%	0.331	S	S	*	.	H	α-helix	trans	-94.9	-29.8	-173.8	-71.5	-177.6	-179.4	-178	0.9	114.1	N481 S482	N481-R485 PolarHBondContact O-N 2.62Å; S482-R485 PolarHBondContact O-N 3.28Å; S482-R485 VanDerWaalsContact O-N 3.13Å
486	N	57	Low	72.2	Confident	54 Å²	54	65 Å²	65	29%	0.289	35%	0.347	S	S	.	.			trans	-86.4	126.5	-166.1	-74.6	1.9	0	0	0	113.8	S482 L495	S482-N486 PolarHBondContact O-N 3.09Å; N486-L495 WeakPolarHBondContact ND2-CD1 3.34Å
487	T	49.2	Very low	71.6	Confident	145 Å²	145	67.6 Å²	67.6	89%	0.89	37%	0.369	S	S	*	.			trans	-103.5	-9.7	173.9	53	0	0	0	0	113.8
488	S	55.6	Low	71.4	Confident	52 Å²	52	65.6 Å²	65.6	36%	0.364	36%	0.361	S	S	.	.			trans	-83.9	129.4	-179.9	53.1	0	0	0	0	112.1	E491 A492	S488-E491 PolarHBondContact OG-OE2 3.25Å; S488-A492 WeakPolarHBondContact O-CB 3.17Å; S488-A492 PolarHBondContact O-N 3.07Å
489	T	60.3	Low	71.5	Confident	123 Å²	123	65.3 Å²	65.3	76%	0.755	36%	0.358	S	S	*	.	H	α-helix	trans	-70.5	-37.6	-166.4	46	0	0	0	0	114.9	S493	T489-S493 PolarHBondContact O-N 3.39Å
490	E	60.6	Low	71.3	Confident	157 Å²	157	67.5 Å²	67.5	73%	0.734	37%	0.37	S	S	*	.	H	α-helix	trans	-75.7	-49.6	-175.8	-71.6	-172.7	167.7	0	0	112.4	A492 S493 L494	E490-A492 VanDerWaalsContact C-N 3.32Å; E490-A492 PolarHBondContact O-N 3.34Å; E490-S493 WeakPolarHBondContact O-CB 3.49Å; E490-S493 PolarHBondContact O-N 2.93Å; E490-S493 VanDerWaalsContact O-N 3.1Å; E490-S493 PolarHBondContact O-OG 3.05Å; E490-L494 PolarHBondContact O-N 3Å
491	E	63.8	Low	71.4	Confident	80 Å²	80	70 Å²	70	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-36.6	179.1	-67.8	-177.2	147	0	0	112.2	S488 S493 L494 L495	S488-E491 PolarHBondContact OG-OE2 3.25Å; E491-S493 VanDerWaalsContact C-N 3.26Å; E491-S493 PolarHBondContact O-N 3.4Å; E491-L494 PolarHBondContact O-N 2.89Å; E491-L495 WeakPolarHBondContact O-CB 3.29Å; E491-L495 VanDerWaalsContact O-CG 3.31Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å; E491-L495 PolarHBondContact O-N 3.11Å
492	A	67.3	Low	71.6	Confident	27 Å²	27	65.8 Å²	65.8	22%	0.223	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-36.6	173.5	0	0	0	0	0	111.9	S488 E490 L496	S488-A492 WeakPolarHBondContact O-CB 3.17Å; S488-A492 PolarHBondContact O-N 3.07Å; E490-A492 VanDerWaalsContact C-N 3.32Å; E490-A492 PolarHBondContact O-N 3.34Å; A492-L496 WeakPolarHBondContact O-CB 3.42Å; A492-L496 VanDerWaalsContact O-CG 3.23Å; A492-L496 WeakPolarHBondContact O-CG 3.26Å; A492-L496 PolarHBondContact O-N 3.39Å
493	S	69.8	Low	72	Confident	67 Å²	67	65.4 Å²	65.4	47%	0.469	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-42.1	178.8	77.1	0	0	0	0	112.7	T489 E490 E491 L496 A497	T489-S493 PolarHBondContact O-N 3.39Å; E490-S493 WeakPolarHBondContact O-CB 3.49Å; E490-S493 PolarHBondContact O-N 2.93Å; E490-S493 VanDerWaalsContact O-N 3.1Å; E490-S493 PolarHBondContact O-OG 3.05Å; E491-S493 VanDerWaalsContact C-N 3.26Å; E491-S493 PolarHBondContact O-N 3.4Å; S493-L496 PolarHBondContact O-N 2.98Å; S493-A497 PolarHBondContact O-N 3.3Å
494	L	74.1	Confident	72.4	Confident	92 Å²	92	67 Å²	67	48%	0.482	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-45.5	175.8	-70.4	171.3	0	0	0	111.2	E490 E491 L496 A497 D498	E490-L494 PolarHBondContact O-N 3Å; E491-L494 PolarHBondContact O-N 2.89Å; L494-L496 VanDerWaalsContact C-N 3.32Å; L494-L496 PolarHBondContact O-N 2.94Å; L494-A497 WeakPolarHBondContact O-CB 3.33Å; L494-A497 PolarHBondContact O-N 3.3Å; L494-A497 VanDerWaalsContact O-N 3.12Å; L494-D498 PolarHBondContact O-N 3.17Å
495	L	79	Confident	73.3	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-40.2	176.6	-75	166.1	0	0	0	112.3	L447 H448 F479 N486 E491 F499	L447-L495 HydrophobicContact CB-CD2 4.12Å; H448-L495 HydrophobicContact CB-CD2 3.99Å; H448-L495 HydrophobicContact CB-CG 4.44Å; F479-L495 HydrophobicContact CD1-CD2 4.37Å; F479-L495 HydrophobicContact CE1-CD2 4.14Å; N486-L495 WeakPolarHBondContact ND2-CD1 3.34Å; E491-L495 WeakPolarHBondContact O-CB 3.29Å; E491-L495 VanDerWaalsContact O-CG 3.31Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å; E491-L495 PolarHBondContact O-N 3.11Å; L495-F499 VanDerWaalsContact O-CB 3.26Å; L495-F499 WeakPolarHBondContact O-CB 3.18Å; L495-F499 PolarHBondContact O-N 2.97Å
496	L	78.6	Confident	74.3	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-34.8	175.6	-75.5	171.2	0	0	0	112.3	A492 S493 L494 N500 L526	A492-L496 WeakPolarHBondContact O-CB 3.42Å; A492-L496 VanDerWaalsContact O-CG 3.23Å; A492-L496 WeakPolarHBondContact O-CG 3.26Å; A492-L496 PolarHBondContact O-N 3.39Å; S493-L496 PolarHBondContact O-N 2.98Å; L494-L496 VanDerWaalsContact C-N 3.32Å; L494-L496 PolarHBondContact O-N 2.94Å; L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.32Å; L496-N500 PolarHBondContact O-N 3.18Å; L496-L526 HydrophobicContact CD2-CD1 3.86Å
497	A	79.4	Confident	75.5	Confident	57 Å²	57	58 Å²	58	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-47.5	175.1	0	0	0	0	0	111.5	S493 L494 F499 N500 E501	S493-A497 PolarHBondContact O-N 3.3Å; L494-A497 WeakPolarHBondContact O-CB 3.33Å; L494-A497 PolarHBondContact O-N 3.3Å; L494-A497 VanDerWaalsContact O-N 3.12Å; A497-F499 VanDerWaalsContact C-N 3.34Å; A497-F499 PolarHBondContact O-N 3.38Å; A497-N500 PolarHBondContact O-N 2.96Å; A497-E501 PolarHBondContact O-N 3.35Å
498	D	84.2	Confident	77.2	Confident	27 Å²	27	51.6 Å²	51.6	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.1	-67.1	-20.6	0	0	0	111	W451 F479 L494 N500 E501 L502	W451-D498 HydrophobicContact CD2-CB 4.09Å; W451-D498 HydrophobicContact CG-CB 3.98Å; W451-D498 WeakPolarHBondContact CZ2-O 3.24Å; F479-D498 HydrophobicContact CE1-CB 3.77Å; F479-D498 HydrophobicContact CZ-CB 3.88Å; L494-D498 PolarHBondContact O-N 3.17Å; D498-N500 PolarHBondContact O-N 2.89Å; D498-E501 WeakPolarHBondContact O-CB 3.43Å; D498-E501 PolarHBondContact O-N 3.15Å; D498-L502 PolarHBondContact O-N 3.36Å
499	F	88	Confident	78.5	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-40.7	176.7	-173.1	-146.9	0	0	0	111.9	F476 F479 L480 L495 A497 E501 L502 L503 L526	F476-F499 AromaticContact CD2-CE2 3.82Å; F476-F499 HydrophobicContact CD2-CE2 3.82Å; F476-F499 HydrophobicContact CD2-CZ 4.13Å; F476-F499 HydrophobicContact CE2-CE2 4.1Å; F476-F499 AromaticContact CE2-CZ 3.96Å; F476-F499 HydrophobicContact CE2-CZ 3.96Å; F479-F499 HydrophobicContact CB-CB 4.06Å; F479-F499 HydrophobicContact CB-CD1 4.34Å; F479-F499 HydrophobicContact CB-CD2 3.41Å; F479-F499 VanDerWaalsContact CB-CD2 3.41Å; F479-F499 HydrophobicContact CB-CE2 3.84Å; F479-F499 HydrophobicContact CB-CG 3.71Å; F479-F499 HydrophobicContact CB-CZ 4.47Å; F479-F499 HydrophobicContact CD1-CB 3.89Å; F479-F499 HydrophobicContact CD1-CG 4.48Å; F479-F499 HydrophobicContact CD2-CD2 4.05Å; F479-F499 HydrophobicContact CG-CB 3.95Å; F479-F499 AromaticContact CG-CD2 3.8Å; F479-F499 HydrophobicContact CG-CD2 3.8Å; F479-F499 HydrophobicContact CG-CG 4.08Å; L480-F499 HydrophobicContact CD2-CE1 3.88Å; L480-F499 HydrophobicContact CD2-CZ 3.73Å; L480-F499 HydrophobicContact CG-CE1 4.46Å; L480-F499 HydrophobicContact CG-CZ 3.94Å; L495-F499 VanDerWaalsContact O-CB 3.26Å; L495-F499 WeakPolarHBondContact O-CB 3.18Å; L495-F499 PolarHBondContact O-N 2.97Å; A497-F499 VanDerWaalsContact C-N 3.34Å; A497-F499 PolarHBondContact O-N 3.38Å; F499-E501 VanDerWaalsContact C-N 3.31Å; F499-E501 PolarHBondContact O-N 2.89Å; F499-L502 HydrophobicContact CD2-CD2 4.31Å; F499-L502 HydrophobicContact CE2-CD2 4.5Å; F499-L502 WeakPolarHBondContact O-CB 3.45Å; F499-L502 PolarHBondContact O-N 3.05Å; F499-L503 HydrophobicContact CD1-CD1 4.31Å; F499-L503 HydrophobicContact CD2-CD1 4.17Å; F499-L503 HydrophobicContact CD2-CG 4.09Å; F499-L503 HydrophobicContact CE1-CD1 4.04Å; F499-L503 HydrophobicContact CE2-CD1 3.9Å; F499-L503 HydrophobicContact CE2-CD2 3.95Å; F499-L503 HydrophobicContact CE2-CG 3.89Å; F499-L503 HydrophobicContact CG-CD1 4.37Å; F499-L503 HydrophobicContact CZ-CD1 3.83Å; F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 HydrophobicContact CZ-CG 4.3Å; F499-L503 VanDerWaalsContact O-CG 3.26Å; F499-L503 WeakPolarHBondContact O-CG 3.44Å; F499-L503 PolarHBondContact O-N 3.49Å; F499-L503 VanDerWaalsContact O-N 3.08Å; F499-L526 HydrophobicContact CD1-CD1 3.52Å; F499-L526 HydrophobicContact CD1-CD2 4.14Å; F499-L526 HydrophobicContact CD1-CG 4.45Å; F499-L526 HydrophobicContact CE1-CD1 3.75Å
500	N	83.5	Confident	79.7	Confident	47 Å²	47	48.9 Å²	48.9	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-37.7	174.9	-170.4	56.8	0	0	0	111.6	L496 A497 D498 L503 S504 L526 N529	L496-N500 VanDerWaalsContact O-CB 3.29Å; L496-N500 WeakPolarHBondContact O-CB 3.32Å; L496-N500 PolarHBondContact O-N 3.18Å; A497-N500 PolarHBondContact O-N 2.96Å; D498-N500 PolarHBondContact O-N 2.89Å; N500-L503 PolarHBondContact O-N 2.81Å; N500-S504 WeakPolarHBondContact O-CB 3.35Å; N500-S504 PolarHBondContact O-N 2.66Å; N500-S504 PolarHBondContact O-OG 3.17Å; N500-L526 HydrophobicContact CB-CD2 3.7Å; N500-N529 WeakPolarHBondContact OD1-CB 3.28Å; N500-N529 PolarHBondContact OD1-ND2 3.34Å
501	E	85.5	Confident	80.8	Confident	60 Å²	60	43.2 Å²	43.2	28%	0.28	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174	-170.7	-176.4	-176.2	0	0	111.7	W451 K455 A497 D498 F499 L503 S504 S505	W451-E501 HydrophobicContact CZ2-CB 4.08Å; W451-E501 HydrophobicContact CZ2-CG 4.2Å; W451-E501 PolarHBondContact NE1-OE2 3.31Å; K455-E501 IonicContact NZ-OE1 3.72Å; K455-E501 PolarHBondContact NZ-OE1 3.43Å; K455-E501 IonicContact NZ-OE2 3.59Å; A497-E501 PolarHBondContact O-N 3.35Å; D498-E501 WeakPolarHBondContact O-CB 3.43Å; D498-E501 PolarHBondContact O-N 3.15Å; F499-E501 VanDerWaalsContact C-N 3.31Å; F499-E501 PolarHBondContact O-N 2.89Å; E501-L503 VanDerWaalsContact C-N 3.27Å; E501-L503 PolarHBondContact O-N 3.38Å; E501-S504 PolarHBondContact O-N 2.85Å; E501-S504 PolarHBondContact O-OG 3.45Å; E501-S505 WeakPolarHBondContact O-CB 3.39Å; E501-S505 PolarHBondContact O-N 3.35Å; E501-S505 PolarHBondContact O-OG 2.91Å
502	L	88	Confident	81.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54.1	-47.1	174.1	-177.7	64.6	0	0	0	111.2	W451 L458 Y472 A475 F476 F479 D498 F499 Y506	W451-L502 HydrophobicContact CH2-CB 3.47Å; W451-L502 VanDerWaalsContact CH2-CB 3.47Å; W451-L502 HydrophobicContact CH2-CD1 3.7Å; W451-L502 HydrophobicContact CH2-CG 4.1Å; W451-L502 HydrophobicContact CZ2-CB 4.2Å; W451-L502 HydrophobicContact CZ3-CB 4.17Å; W451-L502 HydrophobicContact CZ3-CD1 4.06Å; L458-L502 HydrophobicContact CD1-CD1 3.52Å; Y472-L502 HydrophobicContact CD2-CD1 3.93Å; Y472-L502 HydrophobicContact CE2-CD1 3.79Å; Y472-L502 HydrophobicContact CE2-CG 4.04Å; A475-L502 HydrophobicContact CB-CD2 3.95Å; F476-L502 HydrophobicContact CB-CD2 4.46Å; F479-L502 HydrophobicContact CD2-CD2 3.86Å; F479-L502 HydrophobicContact CE2-CD2 4.2Å; D498-L502 PolarHBondContact O-N 3.36Å; F499-L502 HydrophobicContact CD2-CD2 4.31Å; F499-L502 HydrophobicContact CE2-CD2 4.5Å; F499-L502 WeakPolarHBondContact O-CB 3.45Å; F499-L502 PolarHBondContact O-N 3.05Å; L502-Y506 HydrophobicContact CD1-CD2 4.36Å
503	L	85.9	Confident	82.7	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.7	-32.8	-176.3	-68.7	179.7	0	0	0	112.9	F476 F499 N500 E501 I518 L526 F530 Q534	F476-L503 HydrophobicContact CD2-CD2 3.97Å; F476-L503 HydrophobicContact CE2-CD2 3.89Å; F499-L503 HydrophobicContact CD1-CD1 4.31Å; F499-L503 HydrophobicContact CD2-CD1 4.17Å; F499-L503 HydrophobicContact CD2-CG 4.09Å; F499-L503 HydrophobicContact CE1-CD1 4.04Å; F499-L503 HydrophobicContact CE2-CD1 3.9Å; F499-L503 HydrophobicContact CE2-CD2 3.95Å; F499-L503 HydrophobicContact CE2-CG 3.89Å; F499-L503 HydrophobicContact CG-CD1 4.37Å; F499-L503 HydrophobicContact CZ-CD1 3.83Å; F499-L503 HydrophobicContact CZ-CD2 4.32Å; F499-L503 HydrophobicContact CZ-CG 4.3Å; F499-L503 VanDerWaalsContact O-CG 3.26Å; F499-L503 WeakPolarHBondContact O-CG 3.44Å; F499-L503 PolarHBondContact O-N 3.49Å; F499-L503 VanDerWaalsContact O-N 3.08Å; N500-L503 PolarHBondContact O-N 2.81Å; E501-L503 VanDerWaalsContact C-N 3.27Å; E501-L503 PolarHBondContact O-N 3.38Å; L503-I518 HydrophobicContact CD1-CD1 3.83Å; L503-I518 HydrophobicContact CD2-CD1 4.14Å; L503-L526 HydrophobicContact CD1-CB 4.22Å; L503-L526 HydrophobicContact CD1-CD2 4.07Å; L503-F530 HydrophobicContact CB-CB 4.32Å; L503-F530 HydrophobicContact CB-CD2 3.73Å; L503-F530 HydrophobicContact CB-CG 4.45Å; L503-F530 HydrophobicContact CD1-CB 4.42Å; L503-F530 HydrophobicContact CD2-CD2 3.57Å; L503-F530 HydrophobicContact CD2-CE2 3.69Å; L503-F530 HydrophobicContact CD2-CG 4.3Å; L503-F530 HydrophobicContact CG-CD2 4.11Å; L503-Q534 PolarHBondContact O-NE2 2.49Å
504	S	81.8	Confident	83.4	Confident	53 Å²	53	43 Å²	43	37%	0.371	25%	0.25	S	C	.	.	H	α-helix	trans	-90.2	-35.1	-175.8	66.1	0	0	0	0	114.4	N500 E501	N500-S504 WeakPolarHBondContact O-CB 3.35Å; N500-S504 PolarHBondContact O-N 2.66Å; N500-S504 PolarHBondContact O-OG 3.17Å; E501-S504 PolarHBondContact O-N 2.85Å; E501-S504 PolarHBondContact O-OG 3.45Å
505	S	83.6	Confident	83.9	Confident	65 Å²	65	38.6 Å²	38.6	46%	0.455	23%	0.227	S	C	.	.	H	α-helix	trans	-99	-18.4	-166.1	-55.9	0	0	0	0	113.5	E501	E501-S505 WeakPolarHBondContact O-CB 3.39Å; E501-S505 PolarHBondContact O-N 3.35Å; E501-S505 PolarHBondContact O-OG 2.91Å
506	Y	85.4	Confident	84.1	Confident	28 Å²	28	39.3 Å²	39.3	11%	0.11	23%	0.233	C	C	.	.	S	Bend	trans	-120.8	142.2	-174.6	-59	-87.9	0	0	0	111.8	W451 K455 L458 L502 C508 Q534	W451-Y506 HydrophobicContact CH2-CE2 4.45Å; W451-Y506 HydrophobicContact CZ2-CE2 4.45Å; K455-Y506 WeakPolarHBondContact CB-OH 3.38Å; K455-Y506 WeakPolarHBondContact CG-OH 3.36Å; L458-Y506 HydrophobicContact CB-CD1 3.85Å; L458-Y506 HydrophobicContact CB-CE1 3.7Å; L458-Y506 HydrophobicContact CD1-CD1 4.07Å; L458-Y506 HydrophobicContact CD1-CD2 4.22Å; L458-Y506 HydrophobicContact CD1-CE1 4.15Å; L458-Y506 HydrophobicContact CD1-CE2 4.29Å; L458-Y506 HydrophobicContact CD1-CG 4.1Å; L502-Y506 HydrophobicContact CD1-CD2 4.36Å; Y506-C508 PolarHBondContact O-N 3.43Å; Y506-Q534 PolarHBondContact O-NE2 2.86Å
507	P	82.6	Confident	84.5	Confident	65 Å²	65	38.7 Å²	38.7	42%	0.422	23%	0.228	S	C	.	.			trans	-67.4	129.2	177.6	27.6	-32.8	0	0	0	110.4	F468	F468-P507 HydrophobicContact CE1-CG 4.2Å; F468-P507 WeakPolarHBondContact CE1-O 3.37Å; F468-P507 HydrophobicContact CZ-CG 3.84Å; F468-P507 WeakPolarHBondContact CZ-O 3.25Å
508	C	84	Confident	84.7	Confident	11 Å²	11	36 Å²	36	7%	0.074	21%	0.206	C	C	.	.			trans	-84.6	127.9	178.7	179.5	0	0	0	0	111	Y472 Y506 V511 F530 Q534	Y472-C508 HydrophobicContact CE1-CB 4.03Å; Y472-C508 WeakPolarHBondContact OH-CB 3.33Å; Y506-C508 PolarHBondContact O-N 3.43Å; C508-V511 HydrophobicContact CB-CG2 4.15Å; C508-V511 WeakPolarHBondContact O-CG2 3.4Å; C508-F530 HydrophobicContact CB-CE2 3.74Å; C508-F530 HydrophobicContact CB-CZ 3.75Å; C508-Q534 HydrophobicContact CB-CG 4.39Å; C508-Q534 VanDerWaalsContact N-OE1 3.16Å
509	P	83.1	Confident	84.4	Confident	39 Å²	39	34.7 Å²	34.7	25%	0.253	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-47.7	179.3	-21.6	32.3	0	0	0	113.1	F468 N469 Y472	F468-P509 HydrophobicContact CE1-CG 4.28Å; N469-P509 HydrophobicContact CB-CB 4.39Å; N469-P509 HydrophobicContact CB-CG 4.2Å; N469-P509 VanDerWaalsContact OD1-CB 3.29Å; N469-P509 WeakPolarHBondContact OD1-CB 3.35Å; N469-P509 WeakPolarHBondContact OD1-CG 3.41Å; Y472-P509 HydrophobicContact CD1-CG 4.04Å; Y472-P509 HydrophobicContact CG-CG 4.15Å
510	N	84.9	Confident	84	Confident	80 Å²	80	42.8 Å²	42.8	43%	0.428	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	70.3	-179.5	-79.2	-7.4	0	0	0	111.1	V512 E513 C514	N510-V512 VanDerWaalsContact C-N 3.26Å; N510-V512 PolarHBondContact O-N 3.18Å; N510-V512 VanDerWaalsContact O-N 3.12Å; N510-E513 HydrophobicContact CB-CB 4.09Å; N510-E513 PolarHBondContact ND2-OE2 3.38Å; N510-E513 VanDerWaalsContact ND2-OE2 3.1Å; N510-E513 PolarHBondContact O-N 2.97Å; N510-C514 PolarHBondContact O-N 2.92Å
511	V	85.5	Confident	83.6	Confident	37 Å²	37	43.4 Å²	43.4	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-52.4	-41.3	-173.5	-163.3	0	0	0	0	113.3	C508 A515 F530 Q534 L536	C508-V511 HydrophobicContact CB-CG2 4.15Å; C508-V511 WeakPolarHBondContact O-CG2 3.4Å; V511-A515 VanDerWaalsContact O-CB 3.27Å; V511-A515 WeakPolarHBondContact O-CB 3.42Å; V511-A515 PolarHBondContact O-N 3.39Å; V511-F530 HydrophobicContact CG1-CE1 3.81Å; V511-F530 HydrophobicContact CG1-CZ 3.81Å; V511-F530 WeakPolarHBondContact O-CE1 3.46Å; V511-Q534 HydrophobicContact CG1-CB 3.68Å; V511-Q534 HydrophobicContact CG1-CG 4.17Å; V511-L536 HydrophobicContact CB-CD1 4.22Å; V511-L536 HydrophobicContact CG1-CD1 3.39Å
512	V	83.6	Confident	82.9	Confident	72 Å²	72	41.2 Å²	41.2	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-71.8	-42.7	-176.1	-177.3	0	0	0	0	112.1	N510 A515 A516 N540	N510-V512 VanDerWaalsContact C-N 3.26Å; N510-V512 PolarHBondContact O-N 3.18Å; N510-V512 VanDerWaalsContact O-N 3.12Å; V512-A515 PolarHBondContact O-N 2.97Å; V512-A516 WeakPolarHBondContact O-CB 3.18Å; V512-A516 PolarHBondContact O-N 3.24Å; V512-N540 VanDerWaalsContact CG2-ND2 3.34Å; V512-N540 WeakPolarHBondContact CG2-ND2 3.46Å
513	E	85.3	Confident	82.4	Confident	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-68.5	-43.4	-180	-166.4	-166.9	156.5	0	0	111.1	N510 A515 A516 K517	N510-E513 HydrophobicContact CB-CB 4.09Å; N510-E513 PolarHBondContact ND2-OE2 3.38Å; N510-E513 VanDerWaalsContact ND2-OE2 3.1Å; N510-E513 PolarHBondContact O-N 2.97Å; E513-A515 PolarHBondContact O-N 3.46Å; E513-A516 WeakPolarHBondContact O-CB 3.34Å; E513-A516 PolarHBondContact O-N 3.49Å; E513-K517 PolarHBondContact O-N 3.5Å; E513-K517 WeakPolarHBondContact OE1-CE 3.27Å; E513-K517 IonicContact OE1-NZ 2.75Å; E513-K517 PolarHBondContact OE1-NZ 2.82Å
514	C	85	Confident	81.8	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-44.7	175	-72.7	0	0	0	0	111.4	F476 N510 A516 K517 I518 F530	F476-C514 HydrophobicContact CD2-CB 4.36Å; F476-C514 HydrophobicContact CE1-CB 4.06Å; F476-C514 HydrophobicContact CE2-CB 3.62Å; F476-C514 VanDerWaalsContact CZ-CA 3.46Å; F476-C514 HydrophobicContact CZ-CB 3.45Å; F476-C514 VanDerWaalsContact CZ-CB 3.45Å; N510-C514 PolarHBondContact O-N 2.92Å; C514-A516 VanDerWaalsContact C-N 3.31Å; C514-A516 PolarHBondContact O-N 2.9Å; C514-K517 PolarHBondContact O-N 3.29Å; C514-I518 VanDerWaalsContact O-CG1 3.31Å; C514-I518 WeakPolarHBondContact O-CG1 3.39Å; C514-I518 PolarHBondContact O-N 3.29Å; C514-F530 HydrophobicContact CB-CE1 4.28Å; C514-F530 HydrophobicContact CB-CZ 3.96Å
515	A	85.3	Confident	81.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-39	174.7	0	0	0	0	0	112.2	V511 V512 E513 I518 A519 L527 F530 L544	V511-A515 VanDerWaalsContact O-CB 3.27Å; V511-A515 WeakPolarHBondContact O-CB 3.42Å; V511-A515 PolarHBondContact O-N 3.39Å; V512-A515 PolarHBondContact O-N 2.97Å; E513-A515 PolarHBondContact O-N 3.46Å; A515-I518 PolarHBondContact O-N 3.34Å; A515-A519 VanDerWaalsContact O-CB 3.29Å; A515-A519 WeakPolarHBondContact O-CB 3.27Å; A515-A519 PolarHBondContact O-N 2.92Å; A515-L527 HydrophobicContact CB-CD1 3.99Å; A515-F530 HydrophobicContact CB-CD1 4.22Å; A515-F530 HydrophobicContact CB-CE1 3.94Å; A515-L544 HydrophobicContact CB-CD1 3.46Å; A515-L544 VanDerWaalsContact CB-CD1 3.46Å
516	A	83.9	Confident	81.3	Confident	21 Å²	21	42 Å²	42	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42.2	175.8	0	0	0	0	0	112.8	V512 E513 C514 A519 R520 L544	V512-A516 WeakPolarHBondContact O-CB 3.18Å; V512-A516 PolarHBondContact O-N 3.24Å; E513-A516 WeakPolarHBondContact O-CB 3.34Å; E513-A516 PolarHBondContact O-N 3.49Å; C514-A516 VanDerWaalsContact C-N 3.31Å; C514-A516 PolarHBondContact O-N 2.9Å; A516-A519 PolarHBondContact O-N 3.34Å; A516-R520 WeakPolarHBondContact O-CG 3.44Å; A516-R520 PolarHBondContact O-N 2.89Å; A516-L544 VanDerWaalsContact CA-CD2 3.44Å; A516-L544 HydrophobicContact CB-CD2 3.61Å
517	K	85.4	Confident	81.2	Confident	54 Å²	54	40.7 Å²	40.7	24%	0.235	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-45.4	176	-72.1	173.3	-179.9	171.4	0	111.6	F476 E477 L480 E513 C514 A519 R520 L521	F476-K517 HydrophobicContact CE1-CB 4.24Å; F476-K517 HydrophobicContact CE1-CD 3.84Å; F476-K517 HydrophobicContact CZ-CB 4.27Å; E477-K517 IonicContact OE1-NZ 3.02Å; E477-K517 PolarHBondContact OE1-NZ 3.17Å; L480-K517 HydrophobicContact CD1-CB 3.97Å; L480-K517 HydrophobicContact CD1-CD 4.4Å; E513-K517 PolarHBondContact O-N 3.5Å; E513-K517 WeakPolarHBondContact OE1-CE 3.27Å; E513-K517 IonicContact OE1-NZ 2.75Å; E513-K517 PolarHBondContact OE1-NZ 2.82Å; C514-K517 PolarHBondContact O-N 3.29Å; K517-A519 VanDerWaalsContact C-N 3.34Å; K517-A519 PolarHBondContact O-N 3.19Å; K517-R520 PolarHBondContact O-N 3.14Å; K517-L521 PolarHBondContact O-N 2.85Å
518	I	83.7	Confident	81.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-43.3	176.2	-62.4	165.5	0	0	0	110.9	F476 L480 L503 C514 A515 L521 G522 L526 L527 F530	F476-I518 HydrophobicContact CE2-CD1 4.1Å; F476-I518 HydrophobicContact CE2-CG1 4.22Å; F476-I518 HydrophobicContact CZ-CD1 4.46Å; F476-I518 HydrophobicContact CZ-CG1 4.19Å; L480-I518 HydrophobicContact CD2-CG1 4.4Å; L503-I518 HydrophobicContact CD1-CD1 3.83Å; L503-I518 HydrophobicContact CD2-CD1 4.14Å; C514-I518 VanDerWaalsContact O-CG1 3.31Å; C514-I518 WeakPolarHBondContact O-CG1 3.39Å; C514-I518 PolarHBondContact O-N 3.29Å; A515-I518 PolarHBondContact O-N 3.34Å; I518-L521 PolarHBondContact O-N 3.38Å; I518-G522 PolarHBondContact O-N 3.29Å; I518-L526 HydrophobicContact CG2-CB 4.23Å; I518-L527 HydrophobicContact CB-CD1 4.47Å; I518-L527 HydrophobicContact CG2-CB 3.86Å; I518-L527 HydrophobicContact CG2-CD1 4.41Å; I518-F530 HydrophobicContact CD1-CD1 4.21Å; I518-F530 HydrophobicContact CD1-CG 4.32Å
519	A	78.7	Confident	80.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-39.5	-179.6	0	0	0	0	0	113.1	A515 A516 K517 L521 G522 L527 T551	A515-A519 VanDerWaalsContact O-CB 3.29Å; A515-A519 WeakPolarHBondContact O-CB 3.27Å; A515-A519 PolarHBondContact O-N 2.92Å; A516-A519 PolarHBondContact O-N 3.34Å; K517-A519 VanDerWaalsContact C-N 3.34Å; K517-A519 PolarHBondContact O-N 3.19Å; A519-L521 PolarHBondContact O-N 3.33Å; A519-G522 PolarHBondContact O-N 3.39Å; A519-G522 VanDerWaalsContact O-N 3.16Å; A519-L527 HydrophobicContact CB-CD2 3.98Å; A519-T551 PolarHBondContact O-OG1 3.49Å
520	R	79	Confident	81	Confident	169 Å²	169	38.3 Å²	38.3	64%	0.638	19%	0.194	S	C	*	.	H	α-helix	trans	-61.8	-29	175.5	-77.5	177	-174.7	172.5	3.3	113.4	A516 K517 N548 T551	A516-R520 WeakPolarHBondContact O-CG 3.44Å; A516-R520 PolarHBondContact O-N 2.89Å; K517-R520 PolarHBondContact O-N 3.14Å; R520-N548 WeakPolarHBondContact CG-OD1 3.35Å; R520-T551 WeakPolarHBondContact O-CG2 3.33Å
521	L	75	Confident	80.9	Confident	60 Å²	60	34.6 Å²	34.6	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-85.6	-16.2	178	-62.5	-176.2	0	0	0	113.3	L480 M484 K517 I518 A519 Y523	L480-L521 HydrophobicContact CD2-CD1 3.71Å; M484-L521 HydrophobicContact CE-CD2 3.99Å; M484-L521 HydrophobicContact CG-CD1 4.37Å; M484-L521 HydrophobicContact CG-CD2 4.5Å; M484-L521 HydrophobicContact SD-CD1 4.26Å; M484-L521 HydrophobicContact SD-CD2 3.65Å; M484-L521 HydrophobicContact SD-CG 4.48Å; K517-L521 PolarHBondContact O-N 2.85Å; I518-L521 PolarHBondContact O-N 3.38Å; A519-L521 PolarHBondContact O-N 3.33Å; L521-Y523 HydrophobicContact CB-CD2 3.6Å; L521-Y523 HydrophobicContact CB-CE2 3.77Å; L521-Y523 HydrophobicContact CD1-CD2 4.13Å; L521-Y523 HydrophobicContact CD1-CE2 3.87Å; L521-Y523 HydrophobicContact CG-CE2 4.47Å
522	G	71.6	Confident	80.8	Confident	15 Å²	15	37.8 Å²	37.8	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	18.6	-179.8	0	0	0	0	0	115	I518 A519 W524	I518-G522 PolarHBondContact O-N 3.29Å; A519-G522 PolarHBondContact O-N 3.39Å; A519-G522 VanDerWaalsContact O-N 3.16Å; G522-W524 VanDerWaalsContact C-N 3.31Å; G522-W524 PolarHBondContact O-N 3.03Å; G522-W524 PolarHBondContact O-NE1 3.17Å
523	Y	77.1	Confident	80.7	Confident	66 Å²	66	36.4 Å²	36.4	26%	0.259	18%	0.181	S	C	.	.			trans	-81.7	72	175.5	-67.1	-67.1	0	0	0	112.1	S483 L521 T525 L526 L527	S483-Y523 PolarHBondContact O-OH 3.06Å; S483-Y523 VanDerWaalsContact O-OH 3.09Å; L521-Y523 HydrophobicContact CB-CD2 3.6Å; L521-Y523 HydrophobicContact CB-CE2 3.77Å; L521-Y523 HydrophobicContact CD1-CD2 4.13Å; L521-Y523 HydrophobicContact CD1-CE2 3.87Å; L521-Y523 HydrophobicContact CG-CE2 4.47Å; Y523-T525 VanDerWaalsContact C-N 3.33Å; Y523-T525 PolarHBondContact O-N 3.07Å; Y523-L526 HydrophobicContact CG-CD1 4.23Å; Y523-L526 PolarHBondContact O-N 3.2Å; Y523-L527 PolarHBondContact O-N 3.22Å; Y523-L527 VanDerWaalsContact O-N 3.08Å
524	W	73.3	Confident	80.7	Confident	3 Å²	3	33.8 Å²	33.8	1%	0.011	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-32.3	-171.3	-52.6	112.1	0	0	0	114.7	G522 L527 L528 G555 H560 Y561 L564	G522-W524 VanDerWaalsContact C-N 3.31Å; G522-W524 PolarHBondContact O-N 3.03Å; G522-W524 PolarHBondContact O-NE1 3.17Å; W524-L527 HydrophobicContact CE3-CD2 3.94Å; W524-L527 HydrophobicContact CZ3-CD2 4.02Å; W524-L527 PolarHBondContact O-N 3.26Å; W524-L528 WeakPolarHBondContact O-CB 3.42Å; W524-L528 PolarHBondContact O-N 2.95Å; W524-G555 VanDerWaalsContact NE1-CA 3.28Å; W524-H560 HydrophobicContact CB-CB 4.34Å; W524-Y561 AromaticContact CD2-CD2 3.48Å; W524-Y561 HydrophobicContact CD2-CD2 3.48Å; W524-Y561 VanDerWaalsContact CD2-CD2 3.48Å; W524-Y561 HydrophobicContact CD2-CE2 4.29Å; W524-Y561 HydrophobicContact CD2-CG 4.28Å; W524-Y561 AromaticContact CE2-CD2 3.62Å; W524-Y561 AromaticContact CE3-CD2 3.66Å; W524-Y561 HydrophobicContact CE3-CD2 3.66Å; W524-Y561 HydrophobicContact CE3-CE2 4.17Å; W524-Y561 AromaticContact CG-CD2 3.97Å; W524-Y561 HydrophobicContact CG-CD2 3.97Å; W524-Y561 HydrophobicContact CG-CG 4.34Å; W524-Y561 HydrophobicContact CH2-CD2 4.1Å; W524-Y561 AromaticContact CH2-CE2 3.94Å; W524-Y561 HydrophobicContact CH2-CE2 3.94Å; W524-Y561 AromaticContact CZ2-CD2 3.94Å; W524-Y561 HydrophobicContact CZ2-CD2 3.94Å; W524-Y561 HydrophobicContact CZ2-CE2 4.07Å; W524-Y561 AromaticContact CZ3-CD2 3.97Å; W524-Y561 HydrophobicContact CZ3-CD2 3.97Å; W524-Y561 AromaticContact CZ3-CE2 3.99Å; W524-Y561 HydrophobicContact CZ3-CE2 3.99Å; W524-L564 HydrophobicContact CE3-CD2 3.92Å; W524-L564 HydrophobicContact CZ3-CD2 4.4Å
525	T	74.1	Confident	80.5	Confident	53 Å²	53	44 Å²	44	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-47.3	177	-42.4	0	0	0	0	111.6	Y523 L528 N529 H560	Y523-T525 VanDerWaalsContact C-N 3.33Å; Y523-T525 PolarHBondContact O-N 3.07Å; T525-L528 PolarHBondContact O-N 3.48Å; T525-N529 PolarHBondContact O-N 3Å; T525-N529 VanDerWaalsContact O-N 3.12Å; T525-H560 WeakPolarHBondContact OG1-CB 3.26Å; T525-H560 PolarHBondContact OG1-CD2 3.03Å
526	L	80.2	Confident	80.3	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-42.5	177	-71.9	166.3	0	0	0	110.5	L496 F499 N500 L503 I518 Y523 L528 N529 F530	L496-L526 HydrophobicContact CD2-CD1 3.86Å; F499-L526 HydrophobicContact CD1-CD1 3.52Å; F499-L526 HydrophobicContact CD1-CD2 4.14Å; F499-L526 HydrophobicContact CD1-CG 4.45Å; F499-L526 HydrophobicContact CE1-CD1 3.75Å; N500-L526 HydrophobicContact CB-CD2 3.7Å; L503-L526 HydrophobicContact CD1-CB 4.22Å; L503-L526 HydrophobicContact CD1-CD2 4.07Å; I518-L526 HydrophobicContact CG2-CB 4.23Å; Y523-L526 HydrophobicContact CG-CD1 4.23Å; Y523-L526 PolarHBondContact O-N 3.2Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L526-L528 PolarHBondContact O-N 3.49Å; L526-N529 PolarHBondContact O-N 3.15Å; L526-F530 WeakPolarHBondContact O-CB 3.41Å; L526-F530 PolarHBondContact O-N 2.87Å
527	L	83.3	Confident	80.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-41.9	177.3	-173.8	60.9	0	0	0	112.2	A515 I518 A519 Y523 W524 A531 L564	A515-L527 HydrophobicContact CB-CD1 3.99Å; I518-L527 HydrophobicContact CB-CD1 4.47Å; I518-L527 HydrophobicContact CG2-CB 3.86Å; I518-L527 HydrophobicContact CG2-CD1 4.41Å; A519-L527 HydrophobicContact CB-CD2 3.98Å; Y523-L527 PolarHBondContact O-N 3.22Å; Y523-L527 VanDerWaalsContact O-N 3.08Å; W524-L527 HydrophobicContact CE3-CD2 3.94Å; W524-L527 HydrophobicContact CZ3-CD2 4.02Å; W524-L527 PolarHBondContact O-N 3.26Å; L527-A531 WeakPolarHBondContact O-CB 3.3Å; L527-A531 PolarHBondContact O-N 3.29Å; L527-L564 HydrophobicContact CD2-CD2 3.68Å; L527-L564 HydrophobicContact CG-CD2 4.24Å
528	L	80.1	Confident	79.5	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-45.9	178	179.1	60.7	0	0	0	112.2	W524 T525 L526 K532 L564 Y567	W524-L528 WeakPolarHBondContact O-CB 3.42Å; W524-L528 PolarHBondContact O-N 2.95Å; T525-L528 PolarHBondContact O-N 3.48Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L526-L528 PolarHBondContact O-N 3.49Å; L528-K532 HydrophobicContact CD1-CD 4.42Å; L528-K532 HydrophobicContact CG-CD 4.45Å; L528-K532 WeakPolarHBondContact O-CG 3.29Å; L528-K532 PolarHBondContact O-N 3.49Å; L528-K532 VanDerWaalsContact O-N 3.09Å; L528-L564 HydrophobicContact CB-CD1 4.25Å; L528-L564 HydrophobicContact CD1-CD1 3.87Å; L528-Y567 HydrophobicContact CD1-CD1 4.18Å; L528-Y567 HydrophobicContact CD1-CD2 4.4Å; L528-Y567 HydrophobicContact CD1-CG 3.89Å
529	N	81.4	Confident	79.3	Confident	52 Å²	52	57.9 Å²	57.9	28%	0.278	26%	0.258	S	S	.	.	H	α-helix	trans	-65.3	-44.7	178.7	-72.2	-13.5	0	0	0	111.1	N500 T525 L526 K532 A533	N500-N529 WeakPolarHBondContact OD1-CB 3.28Å; N500-N529 PolarHBondContact OD1-ND2 3.34Å; T525-N529 PolarHBondContact O-N 3Å; T525-N529 VanDerWaalsContact O-N 3.12Å; L526-N529 PolarHBondContact O-N 3.15Å; N529-K532 PolarHBondContact O-N 3.18Å; N529-A533 WeakPolarHBondContact O-CB 3.27Å; N529-A533 PolarHBondContact O-N 3.37Å
530	F	85.3	Confident	79.4	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.5	-177.2	-114.3	0	0	0	111.9	L503 C508 V511 C514 A515 I518 L526 K532 A533 Q534	L503-F530 HydrophobicContact CB-CB 4.32Å; L503-F530 HydrophobicContact CB-CD2 3.73Å; L503-F530 HydrophobicContact CB-CG 4.45Å; L503-F530 HydrophobicContact CD1-CB 4.42Å; L503-F530 HydrophobicContact CD2-CD2 3.57Å; L503-F530 HydrophobicContact CD2-CE2 3.69Å; L503-F530 HydrophobicContact CD2-CG 4.3Å; L503-F530 HydrophobicContact CG-CD2 4.11Å; C508-F530 HydrophobicContact CB-CE2 3.74Å; C508-F530 HydrophobicContact CB-CZ 3.75Å; V511-F530 HydrophobicContact CG1-CE1 3.81Å; V511-F530 HydrophobicContact CG1-CZ 3.81Å; V511-F530 WeakPolarHBondContact O-CE1 3.46Å; C514-F530 HydrophobicContact CB-CE1 4.28Å; C514-F530 HydrophobicContact CB-CZ 3.96Å; A515-F530 HydrophobicContact CB-CD1 4.22Å; A515-F530 HydrophobicContact CB-CE1 3.94Å; I518-F530 HydrophobicContact CD1-CD1 4.21Å; I518-F530 HydrophobicContact CD1-CG 4.32Å; L526-F530 WeakPolarHBondContact O-CB 3.41Å; L526-F530 PolarHBondContact O-N 2.87Å; F530-K532 VanDerWaalsContact C-N 3.28Å; F530-K532 PolarHBondContact O-N 2.85Å; F530-A533 PolarHBondContact O-N 3.4Å; F530-Q534 HydrophobicContact CD2-CG 3.56Å; F530-Q534 HydrophobicContact CE1-CG 4.42Å; F530-Q534 HydrophobicContact CE2-CG 3.37Å; F530-Q534 HydrophobicContact CG-CG 4.23Å; F530-Q534 HydrophobicContact CZ-CG 3.84Å; F530-Q534 WeakPolarHBondContact O-CB 3.32Å; F530-Q534 WeakPolarHBondContact O-CG 3.43Å; F530-Q534 PolarHBondContact O-N 3.09Å
531	A	83.1	Confident	79.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-37.9	178.3	0	0	0	0	0	112.4	L527 R535 L536 L541	L527-A531 WeakPolarHBondContact O-CB 3.3Å; L527-A531 PolarHBondContact O-N 3.29Å; A531-R535 WeakPolarHBondContact O-CA 3.41Å; A531-R535 PolarHBondContact O-N 3.18Å; A531-L536 HydrophobicContact CB-CB 4.27Å; A531-L536 PolarHBondContact O-N 3.45Å; A531-L536 VanDerWaalsContact O-N 3.07Å; A531-L541 HydrophobicContact CB-CD1 3.99Å
532	K	82.1	Confident	79.7	Confident	104 Å²	104	49.5 Å²	49.5	45%	0.452	23%	0.226	S	C	.	.	H	α-helix	trans	-69.3	-47.6	175.7	-75.7	173.5	-178.6	171.1	0	112.2	L528 N529 F530 R535 Y567	L528-K532 HydrophobicContact CD1-CD 4.42Å; L528-K532 HydrophobicContact CG-CD 4.45Å; L528-K532 WeakPolarHBondContact O-CG 3.29Å; L528-K532 PolarHBondContact O-N 3.49Å; L528-K532 VanDerWaalsContact O-N 3.09Å; N529-K532 PolarHBondContact O-N 3.18Å; F530-K532 VanDerWaalsContact C-N 3.28Å; F530-K532 PolarHBondContact O-N 2.85Å; K532-R535 PolarHBondContact O-N 3.39Å; K532-Y567 HydrophobicContact CD-CE2 4.43Å; K532-Y567 HydrophobicContact CG-CD2 4.36Å; K532-Y567 HydrophobicContact CG-CE2 3.7Å
533	A	82.7	Confident	80	Confident	44 Å²	44	52.2 Å²	52.2	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-48	-177.5	0	0	0	0	0	111.9	N529 F530 R535	N529-A533 WeakPolarHBondContact O-CB 3.27Å; N529-A533 PolarHBondContact O-N 3.37Å; F530-A533 PolarHBondContact O-N 3.4Å; A533-R535 VanDerWaalsContact C-N 3.27Å; A533-R535 PolarHBondContact O-N 2.92Å
534	Q	83.8	Confident	80.2	Confident	38 Å²	38	49.7 Å²	49.7	18%	0.178	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	1.1	-178.1	-54.2	-58.5	-38.4	0	0	113.5	L503 Y506 C508 V511 F530 L536	L503-Q534 PolarHBondContact O-NE2 2.49Å; Y506-Q534 PolarHBondContact O-NE2 2.86Å; C508-Q534 HydrophobicContact CB-CG 4.39Å; C508-Q534 VanDerWaalsContact N-OE1 3.16Å; V511-Q534 HydrophobicContact CG1-CB 3.68Å; V511-Q534 HydrophobicContact CG1-CG 4.17Å; F530-Q534 HydrophobicContact CD2-CG 3.56Å; F530-Q534 HydrophobicContact CE1-CG 4.42Å; F530-Q534 HydrophobicContact CE2-CG 3.37Å; F530-Q534 HydrophobicContact CG-CG 4.23Å; F530-Q534 HydrophobicContact CZ-CG 3.84Å; F530-Q534 WeakPolarHBondContact O-CB 3.32Å; F530-Q534 WeakPolarHBondContact O-CG 3.43Å; F530-Q534 PolarHBondContact O-N 3.09Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 3.32Å
535	R	80.6	Confident	80.3	Confident	219 Å²	219	49.6 Å²	49.6	83%	0.826	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	47.8	-178.6	-57.1	-179.6	178.4	-173.2	0.8	112.6	A531 K532 A533 R537	A531-R535 WeakPolarHBondContact O-CA 3.41Å; A531-R535 PolarHBondContact O-N 3.18Å; K532-R535 PolarHBondContact O-N 3.39Å; A533-R535 VanDerWaalsContact C-N 3.27Å; A533-R535 PolarHBondContact O-N 2.92Å; R535-R537 PolarHBondContact O-N 3.29Å
536	L	81.3	Confident	80.3	Confident	16 Å²	16	47.8 Å²	47.8	8%	0.084	22%	0.215	C	C	.	.			trans	-54.8	135.4	-178.4	-160.2	85.3	0	0	0	110.5	V511 A531 Q534 N540 L541 L544	V511-L536 HydrophobicContact CB-CD1 4.22Å; V511-L536 HydrophobicContact CG1-CD1 3.39Å; A531-L536 HydrophobicContact CB-CB 4.27Å; A531-L536 PolarHBondContact O-N 3.45Å; A531-L536 VanDerWaalsContact O-N 3.07Å; Q534-L536 VanDerWaalsContact C-N 3.3Å; Q534-L536 PolarHBondContact O-N 3.32Å; L536-N540 HydrophobicContact CD2-CB 4.07Å; L536-N540 HydrophobicContact CG-CB 4.18Å; L536-L541 HydrophobicContact CD2-CB 4.01Å; L536-L541 HydrophobicContact CD2-CD1 3.76Å; L536-L541 HydrophobicContact CD2-CG 4.49Å; L536-L544 HydrophobicContact CD2-CD1 4.11Å
537	R	79.8	Confident	80.2	Confident	191 Å²	191	52.3 Å²	52.3	72%	0.721	24%	0.239	S	C	*	.			trans	-61.2	139.7	177.8	-69.1	-174.2	-178.9	-178.5	1.2	110.2	R535 R539 N540 L541	R535-R537 PolarHBondContact O-N 3.29Å; R537-R539 PolarHBondContact O-N 3.45Å; R537-N540 PolarHBondContact O-N 3.48Å; R537-N540 VanDerWaalsContact O-N 3.08Å; R537-L541 PolarHBondContact O-N 3.1Å
538	P	74	Confident	79.7	Confident	27 Å²	27	53.2 Å²	53.2	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-54.5	-39.1	-179	-26.3	34.3	0	0	0	113.4	N540 L541 L542 K571 V572	P538-N540 PolarHBondContact O-N 3.49Å; P538-L541 PolarHBondContact O-N 3.44Å; P538-L542 WeakPolarHBondContact O-CG 3.47Å; P538-L542 PolarHBondContact O-N 3Å; P538-K571 HydrophobicContact CB-CB 4.31Å; P538-K571 HydrophobicContact CG-CB 4.06Å; P538-V572 HydrophobicContact CB-CG2 4.49Å
539	R	78.9	Confident	78.8	Confident	132 Å²	132	55.9 Å²	55.9	50%	0.498	26%	0.258	S	S	.	.	H	α-helix	trans	-56.2	-45.9	176.7	-173.6	179.8	174.9	179.2	1.6	113.2	R537 L541 L542 Q543 C579	R537-R539 PolarHBondContact O-N 3.45Å; R539-L541 VanDerWaalsContact C-N 3.34Å; R539-L542 PolarHBondContact O-N 3.11Å; R539-Q543 PolarHBondContact O-N 3.41Å; R539-C579 VanDerWaalsContact CA-SG 3.51Å; R539-C579 VanDerWaalsContact CB-SG 3.6Å
540	N	81.5	Confident	77.4	Confident	49 Å²	49	59.6 Å²	59.6	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-38.8	-178.8	-64.6	-5.5	0	0	0	110.3	V512 L536 R537 P538 L542 Q543 L544	V512-N540 VanDerWaalsContact CG2-ND2 3.34Å; V512-N540 WeakPolarHBondContact CG2-ND2 3.46Å; L536-N540 HydrophobicContact CD2-CB 4.07Å; L536-N540 HydrophobicContact CG-CB 4.18Å; R537-N540 PolarHBondContact O-N 3.48Å; R537-N540 VanDerWaalsContact O-N 3.08Å; P538-N540 PolarHBondContact O-N 3.49Å; N540-L542 VanDerWaalsContact C-N 3.35Å; N540-Q543 PolarHBondContact O-N 2.94Å; N540-L544 WeakPolarHBondContact O-CB 3.45Å; N540-L544 WeakPolarHBondContact O-CG 3.33Å; N540-L544 PolarHBondContact O-N 3.2Å
541	L	80.4	Confident	75.9	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-40.6	177	-159.4	64.9	0	0	0	111.9	A531 L536 R537 P538 R539 L544 I545 L564 Y567 V568	A531-L541 HydrophobicContact CB-CD1 3.99Å; L536-L541 HydrophobicContact CD2-CB 4.01Å; L536-L541 HydrophobicContact CD2-CD1 3.76Å; L536-L541 HydrophobicContact CD2-CG 4.49Å; R537-L541 PolarHBondContact O-N 3.1Å; P538-L541 PolarHBondContact O-N 3.44Å; R539-L541 VanDerWaalsContact C-N 3.34Å; L541-L544 PolarHBondContact O-N 3.36Å; L541-I545 WeakPolarHBondContact O-CD1 3.11Å; L541-I545 WeakPolarHBondContact O-CG1 3.33Å; L541-I545 PolarHBondContact O-N 2.91Å; L541-L564 HydrophobicContact CD1-CD1 4.22Å; L541-L564 HydrophobicContact CD2-CD1 4.14Å; L541-L564 HydrophobicContact CG-CD1 4.49Å; L541-Y567 HydrophobicContact CD2-CD1 3.9Å; L541-Y567 HydrophobicContact CD2-CE1 4.04Å; L541-V568 HydrophobicContact CD2-CB 4.37Å; L541-V568 HydrophobicContact CD2-CG2 3.3Å; L541-V568 HydrophobicContact CG-CG2 3.72Å
542	L	78.3	Confident	74.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-49.4	174.4	-77.4	169	0	0	0	111.8	P538 R539 N540 L544 I545 V546 V568 V572 C579 V582 L583 F586	P538-L542 WeakPolarHBondContact O-CG 3.47Å; P538-L542 PolarHBondContact O-N 3Å; R539-L542 PolarHBondContact O-N 3.11Å; N540-L542 VanDerWaalsContact C-N 3.35Å; L542-L544 VanDerWaalsContact C-N 3.29Å; L542-L544 PolarHBondContact O-N 3.04Å; L542-I545 PolarHBondContact O-N 2.91Å; L542-I545 VanDerWaalsContact O-N 3.16Å; L542-V546 WeakPolarHBondContact O-CG2 3.25Å; L542-V546 PolarHBondContact O-N 2.77Å; L542-V568 HydrophobicContact CD2-CG1 3.49Å; L542-V568 VanDerWaalsContact CD2-CG1 3.49Å; L542-V568 HydrophobicContact CG-CG1 3.93Å; L542-V572 HydrophobicContact CD1-CG2 3.67Å; L542-V572 HydrophobicContact CD2-CG2 4.09Å; L542-V572 HydrophobicContact CG-CG2 4.05Å; L542-C579 HydrophobicContact CD1-CB 3.63Å; L542-V582 HydrophobicContact CB-CG1 4.06Å; L542-L583 HydrophobicContact CD1-CD2 3.69Å; L542-L583 HydrophobicContact CD1-CG 4.35Å; L542-L583 HydrophobicContact CD2-CD2 4.34Å; L542-F586 HydrophobicContact CD2-CB 3.81Å; L542-F586 HydrophobicContact CD2-CD1 3.52Å; L542-F586 HydrophobicContact CD2-CD2 3.56Å; L542-F586 HydrophobicContact CD2-CE1 3.92Å; L542-F586 HydrophobicContact CD2-CE2 3.95Å; L542-F586 HydrophobicContact CD2-CG 3.32Å; L542-F586 HydrophobicContact CD2-CZ 4.12Å
543	Q	79.8	Confident	73.4	Confident	72 Å²	72	60.6 Å²	60.6	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-42.3	179.7	-170.2	64.3	36.8	0	0	111.3	R539 N540 I545 V546 D547 V582	R539-Q543 PolarHBondContact O-N 3.41Å; N540-Q543 PolarHBondContact O-N 2.94Å; Q543-I545 VanDerWaalsContact C-N 3.31Å; Q543-I545 PolarHBondContact O-N 3.22Å; Q543-V546 PolarHBondContact O-N 3.44Å; Q543-D547 WeakPolarHBondContact CG-OD2 3.43Å; Q543-D547 PolarHBondContact NE2-OD1 3.38Å; Q543-D547 PolarHBondContact NE2-OD2 3.12Å; Q543-D547 WeakPolarHBondContact O-CB 3.21Å; Q543-D547 VanDerWaalsContact O-CG 3.24Å; Q543-D547 PolarHBondContact O-N 3.12Å; Q543-V582 VanDerWaalsContact OE1-CG2 3.25Å
544	L	79.5	Confident	72.1	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-35.3	177.1	-74.4	172.8	0	0	0	113.7	A515 A516 L536 N540 L541 L542 N548	A515-L544 HydrophobicContact CB-CD1 3.46Å; A515-L544 VanDerWaalsContact CB-CD1 3.46Å; A516-L544 VanDerWaalsContact CA-CD2 3.44Å; A516-L544 HydrophobicContact CB-CD2 3.61Å; L536-L544 HydrophobicContact CD2-CD1 4.11Å; N540-L544 WeakPolarHBondContact O-CB 3.45Å; N540-L544 WeakPolarHBondContact O-CG 3.33Å; N540-L544 PolarHBondContact O-N 3.2Å; L541-L544 PolarHBondContact O-N 3.36Å; L542-L544 VanDerWaalsContact C-N 3.29Å; L542-L544 PolarHBondContact O-N 3.04Å; L544-N548 WeakPolarHBondContact O-CB 3.33Å; L544-N548 PolarHBondContact O-ND2 2.87Å
545	I	76.6	Confident	70.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-44.7	177.6	-67.4	164.4	0	0	0	110	L541 L542 Q543 N548 L564 L565 V568 F586	L541-I545 WeakPolarHBondContact O-CD1 3.11Å; L541-I545 WeakPolarHBondContact O-CG1 3.33Å; L541-I545 PolarHBondContact O-N 2.91Å; L542-I545 PolarHBondContact O-N 2.91Å; L542-I545 VanDerWaalsContact O-N 3.16Å; Q543-I545 VanDerWaalsContact C-N 3.31Å; Q543-I545 PolarHBondContact O-N 3.22Å; I545-N548 PolarHBondContact O-N 3Å; I545-L564 HydrophobicContact CD1-CD2 4.41Å; I545-L564 HydrophobicContact CD1-CG 4.49Å; I545-L565 HydrophobicContact CD1-CD2 4.31Å; I545-L565 HydrophobicContact CG2-CD2 4.27Å; I545-V568 HydrophobicContact CD1-CB 4.38Å; I545-V568 HydrophobicContact CD1-CG1 4.39Å; I545-V568 HydrophobicContact CD1-CG2 3.46Å; I545-V568 VanDerWaalsContact CD1-CG2 3.46Å; I545-F586 HydrophobicContact CB-CD2 4.5Å; I545-F586 HydrophobicContact CD1-CE2 4.06Å; I545-F586 HydrophobicContact CG2-CD2 4.1Å; I545-F586 HydrophobicContact CG2-CE2 4.07Å
546	V	74.5	Confident	69.5	Low	16 Å²	16	57.5 Å²	57.5	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-43.2	-179.1	173.7	0	0	0	0	111.9	L542 Q543 N548 D549 V582 K585 F586	L542-V546 WeakPolarHBondContact O-CG2 3.25Å; L542-V546 PolarHBondContact O-N 2.77Å; Q543-V546 PolarHBondContact O-N 3.44Å; V546-N548 PolarHBondContact O-N 2.81Å; V546-D549 PolarHBondContact O-N 3.39Å; V546-V582 HydrophobicContact CB-CG1 4.5Å; V546-V582 HydrophobicContact CG2-CG1 3.97Å; V546-K585 HydrophobicContact CG1-CB 3.91Å; V546-K585 HydrophobicContact CG1-CD 4.06Å; V546-K585 HydrophobicContact CG2-CB 4.25Å; V546-F586 HydrophobicContact CG2-CB 3.96Å
547	D	77.8	Confident	68.4	Low	106 Å²	106	65.5 Å²	65.5	57%	0.567	31%	0.314	S	S	*	.	H	α-helix	trans	-69.5	-21.8	-177.8	-70.8	-16.6	0	0	0	113.1	Q543	Q543-D547 WeakPolarHBondContact CG-OD2 3.43Å; Q543-D547 PolarHBondContact NE2-OD1 3.38Å; Q543-D547 PolarHBondContact NE2-OD2 3.12Å; Q543-D547 WeakPolarHBondContact O-CB 3.21Å; Q543-D547 VanDerWaalsContact O-CG 3.24Å; Q543-D547 PolarHBondContact O-N 3.12Å
548	N	71.5	Confident	67.7	Low	21 Å²	21	58.8 Å²	58.8	11%	0.112	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	28.1	-178.4	-66.1	-66.6	0	0	0	112.9	R520 L544 I545 V546 V550 T551 T552	R520-N548 WeakPolarHBondContact CG-OD1 3.35Å; L544-N548 WeakPolarHBondContact O-CB 3.33Å; L544-N548 PolarHBondContact O-ND2 2.87Å; I545-N548 PolarHBondContact O-N 3Å; V546-N548 PolarHBondContact O-N 2.81Å; N548-V550 PolarHBondContact O-N 3.44Å; N548-T551 PolarHBondContact O-N 3.15Å; N548-T551 PolarHBondContact O-OG1 3.35Å; N548-T551 VanDerWaalsContact O-OG1 3.08Å; N548-T552 PolarHBondContact O-N 3.31Å
549	D	61.9	Low	67.1	Low	69 Å²	69	61.6 Å²	61.6	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-47.8	-31.2	178.6	-92.2	-18.3	0	0	0	112.8	V546 T552 S589	V546-D549 PolarHBondContact O-N 3.39Å; D549-T552 WeakPolarHBondContact O-CB 3.42Å; D549-T552 PolarHBondContact O-N 3.2Å; D549-T552 PolarHBondContact O-OG1 2.89Å; D549-S589 PolarHBondContact OD1-OG 3.04Å
550	V	52.9	Low	66.5	Low	130 Å²	130	59.2 Å²	59.2	79%	0.788	30%	0.3	S	S	*	.	H	α-helix	trans	-67.7	-34.9	176.9	-175.8	0	0	0	0	113.6	N548 T552	N548-V550 PolarHBondContact O-N 3.44Å; V550-T552 VanDerWaalsContact C-N 3.28Å
551	T	53.3	Low	66	Low	26 Å²	26	56.9 Å²	56.9	16%	0.16	29%	0.288	C	S	.	.	H	α-helix	trans	-81.1	-13.9	176	67.5	0	0	0	0	112	A519 R520 N548 D553 K554 G555	A519-T551 PolarHBondContact O-OG1 3.49Å; R520-T551 WeakPolarHBondContact O-CG2 3.33Å; N548-T551 PolarHBondContact O-N 3.15Å; N548-T551 PolarHBondContact O-OG1 3.35Å; N548-T551 VanDerWaalsContact O-OG1 3.08Å; T551-D553 PolarHBondContact O-N 2.83Å; T551-K554 PolarHBondContact O-N 3.01Å; T551-G555 PolarHBondContact O-N 3.42Å
552	T	54.6	Low	65.6	Low	6 Å²	6	57.1 Å²	57.1	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-31.5	175.3	74	0	0	0	0	111.7	N548 D549 V550 K554 G555 K556 Y561	N548-T552 PolarHBondContact O-N 3.31Å; D549-T552 WeakPolarHBondContact O-CB 3.42Å; D549-T552 PolarHBondContact O-N 3.2Å; D549-T552 PolarHBondContact O-OG1 2.89Å; V550-T552 VanDerWaalsContact C-N 3.28Å; T552-K554 VanDerWaalsContact C-N 3.31Å; T552-K554 PolarHBondContact O-N 3.24Å; T552-G555 CarbonylContact O-C 3.58Å; T552-G555 WeakPolarHBondContact O-CA 3.41Å; T552-G555 PolarHBondContact O-N 2.94Å; T552-K556 VanDerWaalsContact O-CG 3.27Å; T552-K556 WeakPolarHBondContact O-CG 3.15Å; T552-K556 PolarHBondContact O-N 3.05Å; T552-Y561 HydrophobicContact CG2-CE2 4.24Å; T552-Y561 WeakPolarHBondContact CG2-OH 3.31Å
553	D	56.8	Low	65.2	Low	94 Å²	94	58.9 Å²	58.9	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-40.2	175	-79.1	-26.4	0	0	0	112.7	T551 G555 K556	T551-D553 PolarHBondContact O-N 2.83Å; D553-G555 VanDerWaalsContact C-N 3.33Å; D553-K556 PolarHBondContact O-N 2.9Å; D553-K556 WeakPolarHBondContact OD1-CE 3.38Å; D553-K556 IonicContact OD1-NZ 2.9Å; D553-K556 PolarHBondContact OD1-NZ 2.7Å
554	K	57.3	Low	65.1	Low	172 Å²	172	55.5 Å²	55.5	75%	0.748	29%	0.285	S	S	*	.	H	α-helix	trans	-68.7	-33.3	170.6	-67.7	-175	178.5	-178.8	0	111.9	T551 T552	T551-K554 PolarHBondContact O-N 3.01Å; T552-K554 VanDerWaalsContact C-N 3.31Å; T552-K554 PolarHBondContact O-N 3.24Å
555	G	53.3	Low	65	Low	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.1	-24.3	175	0	0	0	0	0	114.8	W524 T551 T552 D553 Q557 N558 Y561	W524-G555 VanDerWaalsContact NE1-CA 3.28Å; T551-G555 PolarHBondContact O-N 3.42Å; T552-G555 CarbonylContact O-C 3.58Å; T552-G555 WeakPolarHBondContact O-CA 3.41Å; T552-G555 PolarHBondContact O-N 2.94Å; D553-G555 VanDerWaalsContact C-N 3.33Å; G555-Q557 PolarHBondContact O-N 2.99Å; G555-N558 PolarHBondContact O-N 3.41Å; G555-Y561 WeakPolarHBondContact O-CB 3.48Å
556	K	56	Low	64.8	Low	64 Å²	64	55.9 Å²	55.9	28%	0.278	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.3	178.4	-60.6	-170.6	-175.8	164.5	0	113.2	T552 D553 Y562 L593	T552-K556 VanDerWaalsContact O-CG 3.27Å; T552-K556 WeakPolarHBondContact O-CG 3.15Å; T552-K556 PolarHBondContact O-N 3.05Å; D553-K556 PolarHBondContact O-N 2.9Å; D553-K556 WeakPolarHBondContact OD1-CE 3.38Å; D553-K556 IonicContact OD1-NZ 2.9Å; D553-K556 PolarHBondContact OD1-NZ 2.7Å; K556-Y562 PolarHBondContact O-OH 2.88Å; K556-L593 HydrophobicContact CD-CD2 3.55Å; K556-L593 HydrophobicContact CG-CD2 3.4Å
557	Q	58.5	Low	64.9	Low	184 Å²	184	57.1 Å²	57.1	86%	0.86	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	1.8	176.6	-62.9	-178.1	-4.3	0	0	113.2	G555	G555-Q557 PolarHBondContact O-N 2.99Å
558	N	63.5	Low	64.9	Low	50 Å²	50	52.1 Å²	52.1	27%	0.267	27%	0.265	S	S	.	.			trans	-116.7	114.8	-170	-165.7	-22.1	0	0	0	112.5	G555 H560 Y561	G555-N558 PolarHBondContact O-N 3.41Å; N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CB 3.42Å; N558-H560 PolarHBondContact OD1-CD2 3.05Å; N558-H560 VanDerWaalsContact OD1-CD2 3.27Å; N558-H560 PolarHBondContact OD1-N 3.49Å; N558-Y561 WeakPolarHBondContact O-CB 3.1Å; N558-Y561 PolarHBondContact O-N 2.89Å
559	D	61.7	Low	65.1	Low	85 Å²	85	51.3 Å²	51.3	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-54	-27	176	-83.2	-12.7	0	0	0	113.7	Y562 S563 W601	D559-Y562 PolarHBondContact O-N 2.89Å; D559-S563 PolarHBondContact O-N 2.8Å; D559-S563 PolarHBondContact O-OG 2.88Å; D559-W601 HydrophobicContact CB-CZ2 3.7Å; D559-W601 WeakPolarHBondContact O-CH2 3.45Å; D559-W601 WeakPolarHBondContact O-CZ2 3.35Å; D559-W601 PolarHBondContact OD1-NE1 3.46Å
560	H	66	Low	65.5	Low	82 Å²	82	49.1 Å²	49.1	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-73.7	-30.6	176.3	-60.9	-62	0	0	0	113.5	W524 T525 N558 Y562 S563 L564	W524-H560 HydrophobicContact CB-CB 4.34Å; T525-H560 WeakPolarHBondContact OG1-CB 3.26Å; T525-H560 PolarHBondContact OG1-CD2 3.03Å; N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CB 3.42Å; N558-H560 PolarHBondContact OD1-CD2 3.05Å; N558-H560 VanDerWaalsContact OD1-CD2 3.27Å; N558-H560 PolarHBondContact OD1-N 3.49Å; H560-Y562 VanDerWaalsContact C-N 3.33Å; H560-S563 WeakPolarHBondContact O-CB 3.2Å; H560-S563 PolarHBondContact O-N 3.47Å; H560-L564 PolarHBondContact O-N 3.03Å
561	Y	72.1	Confident	66.6	Low	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-43	172.8	177.5	-112.6	0	0	0	110.4	W524 T552 G555 N558 S563 L564 L565 L593	W524-Y561 AromaticContact CD2-CD2 3.48Å; W524-Y561 HydrophobicContact CD2-CD2 3.48Å; W524-Y561 VanDerWaalsContact CD2-CD2 3.48Å; W524-Y561 HydrophobicContact CD2-CE2 4.29Å; W524-Y561 HydrophobicContact CD2-CG 4.28Å; W524-Y561 AromaticContact CE2-CD2 3.62Å; W524-Y561 AromaticContact CE3-CD2 3.66Å; W524-Y561 HydrophobicContact CE3-CD2 3.66Å; W524-Y561 HydrophobicContact CE3-CE2 4.17Å; W524-Y561 AromaticContact CG-CD2 3.97Å; W524-Y561 HydrophobicContact CG-CD2 3.97Å; W524-Y561 HydrophobicContact CG-CG 4.34Å; W524-Y561 HydrophobicContact CH2-CD2 4.1Å; W524-Y561 AromaticContact CH2-CE2 3.94Å; W524-Y561 HydrophobicContact CH2-CE2 3.94Å; W524-Y561 AromaticContact CZ2-CD2 3.94Å; W524-Y561 HydrophobicContact CZ2-CD2 3.94Å; W524-Y561 HydrophobicContact CZ2-CE2 4.07Å; W524-Y561 AromaticContact CZ3-CD2 3.97Å; W524-Y561 HydrophobicContact CZ3-CD2 3.97Å; W524-Y561 AromaticContact CZ3-CE2 3.99Å; W524-Y561 HydrophobicContact CZ3-CE2 3.99Å; T552-Y561 HydrophobicContact CG2-CE2 4.24Å; T552-Y561 WeakPolarHBondContact CG2-OH 3.31Å; G555-Y561 WeakPolarHBondContact O-CB 3.48Å; N558-Y561 WeakPolarHBondContact O-CB 3.1Å; N558-Y561 PolarHBondContact O-N 2.89Å; Y561-S563 PolarHBondContact O-N 2.99Å; Y561-L564 WeakPolarHBondContact O-CB 3.25Å; Y561-L564 PolarHBondContact O-N 3.34Å; Y561-L564 VanDerWaalsContact O-N 3.12Å; Y561-L565 HydrophobicContact CD1-CD1 4.19Å; Y561-L565 HydrophobicContact CE1-CD1 3.7Å; Y561-L565 HydrophobicContact CE1-CG 4.18Å; Y561-L565 PolarHBondContact O-N 2.93Å; Y561-L593 HydrophobicContact CE1-CD1 3.74Å
562	Y	71.2	Confident	67.5	Low	9 Å²	9	45.6 Å²	45.6	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-37.5	176.1	-55.5	-44.5	0	0	0	112.6	K556 D559 H560 L564 L565 V566 L597 W601	K556-Y562 PolarHBondContact O-OH 2.88Å; D559-Y562 PolarHBondContact O-N 2.89Å; H560-Y562 VanDerWaalsContact C-N 3.33Å; Y562-L564 VanDerWaalsContact C-N 3.27Å; Y562-L564 PolarHBondContact O-N 2.77Å; Y562-L565 HydrophobicContact CD1-CD1 4.22Å; Y562-L565 PolarHBondContact O-N 2.95Å; Y562-V566 WeakPolarHBondContact O-CG2 3.49Å; Y562-V566 PolarHBondContact O-N 2.88Å; Y562-L597 HydrophobicContact CD1-CD2 3.32Å; Y562-L597 HydrophobicContact CD2-CD2 4.28Å; Y562-L597 HydrophobicContact CE1-CD2 3.03Å; Y562-L597 HydrophobicContact CE1-CG 4.42Å; Y562-L597 HydrophobicContact CE2-CD2 4.04Å; Y562-L597 HydrophobicContact CG-CD2 3.93Å; Y562-W601 VanDerWaalsContact CB-CE2 3.48Å; Y562-W601 AromaticContact CD2-CD1 3.37Å; Y562-W601 AromaticContact CD2-CD2 3.94Å; Y562-W601 HydrophobicContact CD2-CD2 3.94Å; Y562-W601 AromaticContact CD2-CE2 3.66Å; Y562-W601 AromaticContact CD2-CG 3.81Å; Y562-W601 HydrophobicContact CD2-CG 3.81Å; Y562-W601 HydrophobicContact CD2-CZ2 4.37Å; Y562-W601 AromaticContact CD2-NE1 3.3Å; Y562-W601 VanDerWaalsContact CD2-NE1 3.3Å; Y562-W601 AromaticContact CE2-CD1 3.92Å; Y562-W601 AromaticContact CG-CD1 3.96Å; Y562-W601 AromaticContact CG-CD2 3.89Å; Y562-W601 HydrophobicContact CG-CD2 3.89Å; Y562-W601 AromaticContact CG-CE2 3.99Å; Y562-W601 HydrophobicContact CG-CE3 4.41Å; Y562-W601 AromaticContact CG-CG 3.92Å; Y562-W601 HydrophobicContact CG-CG 3.92Å
563	S	71.3	Confident	68.1	Low	37 Å²	37	46.4 Å²	46.4	26%	0.259	23%	0.226	S	C	.	.	H	α-helix	trans	-57.9	-39.6	170.7	-60.5	0	0	0	0	112.5	D559 H560 Y561 Y567 W601	D559-S563 PolarHBondContact O-N 2.8Å; D559-S563 PolarHBondContact O-OG 2.88Å; H560-S563 WeakPolarHBondContact O-CB 3.2Å; H560-S563 PolarHBondContact O-N 3.47Å; Y561-S563 PolarHBondContact O-N 2.99Å; S563-Y567 WeakPolarHBondContact O-CB 3.44Å; S563-Y567 PolarHBondContact O-N 3.28Å; S563-W601 VanDerWaalsContact OG-CH2 3.27Å; S563-W601 WeakPolarHBondContact OG-CH2 3.49Å
564	L	77.8	Confident	68.6	Low	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-45.7	175	-178.8	68.1	0	0	0	111.5	W524 L527 L528 L541 I545 H560 Y561 Y562 V566 Y567 V568	W524-L564 HydrophobicContact CE3-CD2 3.92Å; W524-L564 HydrophobicContact CZ3-CD2 4.4Å; L527-L564 HydrophobicContact CD2-CD2 3.68Å; L527-L564 HydrophobicContact CG-CD2 4.24Å; L528-L564 HydrophobicContact CB-CD1 4.25Å; L528-L564 HydrophobicContact CD1-CD1 3.87Å; L541-L564 HydrophobicContact CD1-CD1 4.22Å; L541-L564 HydrophobicContact CD2-CD1 4.14Å; L541-L564 HydrophobicContact CG-CD1 4.49Å; I545-L564 HydrophobicContact CD1-CD2 4.41Å; I545-L564 HydrophobicContact CD1-CG 4.49Å; H560-L564 PolarHBondContact O-N 3.03Å; Y561-L564 WeakPolarHBondContact O-CB 3.25Å; Y561-L564 PolarHBondContact O-N 3.34Å; Y561-L564 VanDerWaalsContact O-N 3.12Å; Y562-L564 VanDerWaalsContact C-N 3.27Å; Y562-L564 PolarHBondContact O-N 2.77Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 2.92Å; L564-Y567 WeakPolarHBondContact O-CB 3.33Å; L564-Y567 PolarHBondContact O-N 2.99Å; L564-Y567 VanDerWaalsContact O-N 3.15Å; L564-V568 HydrophobicContact CD1-CG2 4.4Å; L564-V568 HydrophobicContact CG-CG2 4.3Å; L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.49Å
565	L	77.2	Confident	69.1	Low	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-43.6	176	-67.9	-179.3	0	0	0	112	I545 Y561 Y562 Y567 V568 C569 F586 V590 L593 L605	I545-L565 HydrophobicContact CD1-CD2 4.31Å; I545-L565 HydrophobicContact CG2-CD2 4.27Å; Y561-L565 HydrophobicContact CD1-CD1 4.19Å; Y561-L565 HydrophobicContact CE1-CD1 3.7Å; Y561-L565 HydrophobicContact CE1-CG 4.18Å; Y561-L565 PolarHBondContact O-N 2.93Å; Y562-L565 HydrophobicContact CD1-CD1 4.22Å; Y562-L565 PolarHBondContact O-N 2.95Å; L565-Y567 VanDerWaalsContact C-N 3.35Å; L565-Y567 PolarHBondContact O-N 3.11Å; L565-V568 PolarHBondContact O-N 2.84Å; L565-C569 WeakPolarHBondContact O-CB 3.29Å; L565-C569 PolarHBondContact O-N 2.88Å; L565-C569 PolarHBondContact O-SG 3.07Å; L565-F586 HydrophobicContact CD2-CE2 3.83Å; L565-F586 HydrophobicContact CD2-CZ 4.14Å; L565-V590 HydrophobicContact CD2-CG2 4.16Å; L565-L593 HydrophobicContact CD1-CD1 3.86Å; L565-L605 HydrophobicContact CB-CD2 4.02Å
566	V	71.2	Confident	69.6	Low	22 Å²	22	46 Å²	46	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-42.3	175.8	173.6	0	0	0	0	111	Y562 L564 C569 D570 W601 C604 L605 R608	Y562-V566 WeakPolarHBondContact O-CG2 3.49Å; Y562-V566 PolarHBondContact O-N 2.88Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 2.92Å; V566-C569 PolarHBondContact O-N 3.33Å; V566-D570 WeakPolarHBondContact O-CB 3.5Å; V566-D570 PolarHBondContact O-N 3.23Å; V566-W601 HydrophobicContact CG2-CE3 4.22Å; V566-W601 HydrophobicContact CG2-CZ3 4.26Å; V566-C604 HydrophobicContact CG2-CB 3.9Å; V566-L605 HydrophobicContact CB-CD2 4.48Å; V566-L605 HydrophobicContact CG2-CD2 3.73Å; V566-L605 HydrophobicContact CG2-CG 3.98Å; V566-R608 HydrophobicContact CG1-CG 3.88Å
567	Y	76.7	Confident	69.9	Low	42 Å²	42	51.5 Å²	51.5	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-44.1	176	178.5	-96	0	0	0	112.3	L528 K532 L541 S563 L564 L565 D570 K571	L528-Y567 HydrophobicContact CD1-CD1 4.18Å; L528-Y567 HydrophobicContact CD1-CD2 4.4Å; L528-Y567 HydrophobicContact CD1-CG 3.89Å; K532-Y567 HydrophobicContact CD-CE2 4.43Å; K532-Y567 HydrophobicContact CG-CD2 4.36Å; K532-Y567 HydrophobicContact CG-CE2 3.7Å; L541-Y567 HydrophobicContact CD2-CD1 3.9Å; L541-Y567 HydrophobicContact CD2-CE1 4.04Å; S563-Y567 WeakPolarHBondContact O-CB 3.44Å; S563-Y567 PolarHBondContact O-N 3.28Å; L564-Y567 WeakPolarHBondContact O-CB 3.33Å; L564-Y567 PolarHBondContact O-N 2.99Å; L564-Y567 VanDerWaalsContact O-N 3.15Å; L565-Y567 VanDerWaalsContact C-N 3.35Å; L565-Y567 PolarHBondContact O-N 3.11Å; Y567-D570 PolarHBondContact O-N 2.98Å; Y567-K571 HydrophobicContact CD1-CG 4.45Å; Y567-K571 HydrophobicContact CE1-CG 4.06Å; Y567-K571 HydrophobicContact CE2-CG 4.49Å; Y567-K571 WeakPolarHBondContact O-CG 3.31Å; Y567-K571 PolarHBondContact O-N 2.96Å; Y567-K571 VanDerWaalsContact O-N 3.09Å; Y567-K571 VanDerWaalsContact OH-CE 3.26Å; Y567-K571 WeakPolarHBondContact OH-CE 3.45Å
568	V	79.1	Confident	70.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-49.3	176.9	179	0	0	0	0	109.9	L541 L542 I545 L564 L565 D570 K571 V572 F586	L541-V568 HydrophobicContact CD2-CB 4.37Å; L541-V568 HydrophobicContact CD2-CG2 3.3Å; L541-V568 HydrophobicContact CG-CG2 3.72Å; L542-V568 HydrophobicContact CD2-CG1 3.49Å; L542-V568 VanDerWaalsContact CD2-CG1 3.49Å; L542-V568 HydrophobicContact CG-CG1 3.93Å; I545-V568 HydrophobicContact CD1-CB 4.38Å; I545-V568 HydrophobicContact CD1-CG1 4.39Å; I545-V568 HydrophobicContact CD1-CG2 3.46Å; I545-V568 VanDerWaalsContact CD1-CG2 3.46Å; L564-V568 HydrophobicContact CD1-CG2 4.4Å; L564-V568 HydrophobicContact CG-CG2 4.3Å; L564-V568 WeakPolarHBondContact O-CG2 3.49Å; L564-V568 PolarHBondContact O-N 3.49Å; L565-V568 PolarHBondContact O-N 2.84Å; V568-D570 VanDerWaalsContact C-N 3.35Å; V568-D570 PolarHBondContact O-N 2.81Å; V568-K571 PolarHBondContact O-N 2.96Å; V568-K571 VanDerWaalsContact O-N 3.14Å; V568-V572 HydrophobicContact CG1-CG2 4.1Å; V568-V572 WeakPolarHBondContact O-CB 3.33Å; V568-V572 VanDerWaalsContact O-CG2 3.23Å; V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 2.78Å; V568-F586 HydrophobicContact CB-CZ 4.22Å; V568-F586 HydrophobicContact CG1-CE1 4.31Å; V568-F586 HydrophobicContact CG1-CE2 4.08Å; V568-F586 HydrophobicContact CG1-CZ 3.77Å
569	C	74	Confident	70.3	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.02	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-46	178.7	-70.1	0	0	0	0	111.5	L565 V566 K571 V572 T573	L565-C569 WeakPolarHBondContact O-CB 3.29Å; L565-C569 PolarHBondContact O-N 2.88Å; L565-C569 PolarHBondContact O-SG 3.07Å; V566-C569 PolarHBondContact O-N 3.33Å; C569-K571 VanDerWaalsContact C-N 3.33Å; C569-K571 PolarHBondContact O-N 2.87Å; C569-V572 PolarHBondContact O-N 3.16Å; C569-T573 WeakPolarHBondContact O-CG2 3.33Å; C569-T573 PolarHBondContact O-N 2.74Å; C569-T573 PolarHBondContact O-OG1 2.96Å
570	D	71.9	Confident	70.6	Confident	24 Å²	24	42.5 Å²	42.5	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-36.4	177.2	-176.3	77.2	0	0	0	113.1	V566 Y567 V568 T573 R574 R608	V566-D570 WeakPolarHBondContact O-CB 3.5Å; V566-D570 PolarHBondContact O-N 3.23Å; Y567-D570 PolarHBondContact O-N 2.98Å; V568-D570 VanDerWaalsContact C-N 3.35Å; V568-D570 PolarHBondContact O-N 2.81Å; D570-T573 PolarHBondContact O-OG1 2.81Å; D570-R574 VanDerWaalsContact O-CG 3.27Å; D570-R574 WeakPolarHBondContact O-CG 3.43Å; D570-R574 PolarHBondContact O-N 2.87Å; D570-R574 IonicContact OD1-CZ 3.88Å; D570-R574 IonicContact OD1-NE 3.05Å; D570-R574 IonicContact OD1-NH2 3.87Å; D570-R574 PolarHBondContact OD1-NH2 3.2Å; D570-R574 IonicContact OD2-CZ 2.89Å; D570-R574 IonicContact OD2-NE 3.88Å; D570-R574 PolarHBondContact OD2-NE 2.85Å; D570-R574 IonicContact OD2-NH2 3.43Å; D570-R574 PolarHBondContact OD2-NH2 3.48Å; D570-R608 HydrophobicContact CB-CG 4.4Å; D570-R608 WeakPolarHBondContact OD1-CD 3.11Å; D570-R608 IonicContact OD1-CZ 3.61Å; D570-R608 IonicContact OD1-NE 2.99Å; D570-R608 IonicContact OD1-NH1 3.06Å; D570-R608 PolarHBondContact OD1-NH1 3.44Å
571	K	75.2	Confident	70.8	Confident	79 Å²	79	45.2 Å²	45.2	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-73.2	-41.4	177.7	-75.4	-69.4	-172.4	173.7	0	112.3	P538 Y567 V568 C569 R574 S575	P538-K571 HydrophobicContact CB-CB 4.31Å; P538-K571 HydrophobicContact CG-CB 4.06Å; Y567-K571 HydrophobicContact CD1-CG 4.45Å; Y567-K571 HydrophobicContact CE1-CG 4.06Å; Y567-K571 HydrophobicContact CE2-CG 4.49Å; Y567-K571 WeakPolarHBondContact O-CG 3.31Å; Y567-K571 PolarHBondContact O-N 2.96Å; Y567-K571 VanDerWaalsContact O-N 3.09Å; Y567-K571 VanDerWaalsContact OH-CE 3.26Å; Y567-K571 WeakPolarHBondContact OH-CE 3.45Å; V568-K571 PolarHBondContact O-N 2.96Å; V568-K571 VanDerWaalsContact O-N 3.14Å; C569-K571 VanDerWaalsContact C-N 3.33Å; C569-K571 PolarHBondContact O-N 2.87Å; K571-R574 PolarHBondContact O-N 2.97Å; K571-S575 PolarHBondContact O-N 3.31Å; K571-S575 PolarHBondContact O-OG 2.86Å
572	V	73.2	Confident	71	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-44.2	178.3	166.5	0	0	0	0	110.8	P538 L542 V568 C569 R574 S575 L583 F587 Y614	P538-V572 HydrophobicContact CB-CG2 4.49Å; L542-V572 HydrophobicContact CD1-CG2 3.67Å; L542-V572 HydrophobicContact CD2-CG2 4.09Å; L542-V572 HydrophobicContact CG-CG2 4.05Å; V568-V572 HydrophobicContact CG1-CG2 4.1Å; V568-V572 WeakPolarHBondContact O-CB 3.33Å; V568-V572 VanDerWaalsContact O-CG2 3.23Å; V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 2.78Å; C569-V572 PolarHBondContact O-N 3.16Å; V572-R574 PolarHBondContact O-N 2.78Å; V572-S575 CarbonylContact O-C 3.6Å; V572-S575 PolarHBondContact O-N 3.45Å; V572-L583 HydrophobicContact CB-CD2 4.45Å; V572-L583 HydrophobicContact CG1-CD2 3.38Å; V572-L583 HydrophobicContact CG2-CD2 4.22Å; V572-F587 HydrophobicContact CG1-CZ 4.42Å; V572-Y614 HydrophobicContact CG1-CE2 4.39Å; V572-Y614 WeakPolarHBondContact CG1-OH 3.07Å
573	T	65.6	Low	71.4	Confident	24 Å²	24	45.4 Å²	45.4	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-24.7	179.4	52.6	0	0	0	0	113.3	C569 D570 R608 V613 Y639	C569-T573 WeakPolarHBondContact O-CG2 3.33Å; C569-T573 PolarHBondContact O-N 2.74Å; C569-T573 PolarHBondContact O-OG1 2.96Å; D570-T573 PolarHBondContact O-OG1 2.81Å; T573-R608 WeakPolarHBondContact CG2-O 3.48Å; T573-R608 PolarHBondContact OG1-O 3.26Å; T573-V613 HydrophobicContact CG2-CG1 4.33Å; T573-V613 HydrophobicContact CG2-CG2 4.25Å; T573-Y639 HydrophobicContact CG2-CE2 4.37Å
574	R	68.7	Low	71.5	Confident	172 Å²	172	43.9 Å²	43.9	65%	0.649	22%	0.221	S	C	*	.	H	α-helix	trans	-80.8	-18.5	172.5	-67.7	176.3	-162.3	-159.9	8.4	114.2	D570 K571 V572	D570-R574 VanDerWaalsContact O-CG 3.27Å; D570-R574 WeakPolarHBondContact O-CG 3.43Å; D570-R574 PolarHBondContact O-N 2.87Å; D570-R574 IonicContact OD1-CZ 3.88Å; D570-R574 IonicContact OD1-NE 3.05Å; D570-R574 IonicContact OD1-NH2 3.87Å; D570-R574 PolarHBondContact OD1-NH2 3.2Å; D570-R574 IonicContact OD2-CZ 2.89Å; D570-R574 IonicContact OD2-NE 3.88Å; D570-R574 PolarHBondContact OD2-NE 2.85Å; D570-R574 IonicContact OD2-NH2 3.43Å; D570-R574 PolarHBondContact OD2-NH2 3.48Å; K571-R574 PolarHBondContact O-N 2.97Å; V572-R574 PolarHBondContact O-N 2.78Å
575	S	66.8	Low	71.5	Confident	46 Å²	46	50.3 Å²	50.3	32%	0.322	25%	0.249	S	C	.	.			trans	-143.6	64.6	-172.7	56.3	0	0	0	0	113.6	K571 V572 Q577 S578	K571-S575 PolarHBondContact O-N 3.31Å; K571-S575 PolarHBondContact O-OG 2.86Å; V572-S575 CarbonylContact O-C 3.6Å; V572-S575 PolarHBondContact O-N 3.45Å; S575-Q577 PolarHBondContact O-N 3.49Å; S575-S578 PolarHBondContact O-OG 3.45Å
576	P	63.4	Low	71.6	Confident	39 Å²	39	50.3 Å²	50.3	25%	0.253	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-66.2	-32.7	-167.8	23.5	-33.1	0	0	0	115.1	S578 V613 Y614	P576-S578 VanDerWaalsContact C-N 3.25Å; P576-S578 PolarHBondContact O-N 2.93Å; P576-S578 VanDerWaalsContact O-N 3.1Å; P576-V613 HydrophobicContact CB-CG1 4.26Å; P576-Y614 WeakPolarHBondContact CA-OH 3.5Å; P576-Y614 HydrophobicContact CB-CD1 4.13Å; P576-Y614 HydrophobicContact CB-CE1 3.37Å
577	Q	62.6	Low	72	Confident	179 Å²	179	49.4 Å²	49.4	84%	0.836	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-69.6	-11.7	-167.7	-66.2	179.1	-13	0	0	115.7	S575	S575-Q577 PolarHBondContact O-N 3.49Å
578	S	64.1	Low	71.7	Confident	63 Å²	63	52.5 Å²	52.5	44%	0.441	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-96	-6.6	-167.9	64.3	0	0	0	0	115.8	S575 P576	S575-S578 PolarHBondContact O-OG 3.45Å; P576-S578 VanDerWaalsContact C-N 3.25Å; P576-S578 PolarHBondContact O-N 2.93Å; P576-S578 VanDerWaalsContact O-N 3.1Å
579	C	66.2	Low	71.5	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.027	26%	0.26	C	S	.	.			trans	-134.7	11.3	-162.1	-61.6	0	0	0	0	115.2	R539 L542 D581 V582 L583	R539-C579 VanDerWaalsContact CA-SG 3.51Å; R539-C579 VanDerWaalsContact CB-SG 3.6Å; L542-C579 HydrophobicContact CD1-CB 3.63Å; C579-D581 VanDerWaalsContact C-N 3.32Å; C579-D581 PolarHBondContact O-N 3.37Å; C579-D581 VanDerWaalsContact O-N 3.13Å; C579-V582 PolarHBondContact O-N 2.8Å; C579-L583 HydrophobicContact CB-CD1 3.84Å; C579-L583 HydrophobicContact CB-CD2 4.2Å; C579-L583 HydrophobicContact CB-CG 3.75Å; C579-L583 WeakPolarHBondContact O-CG 3.27Å; C579-L583 PolarHBondContact O-N 2.84Å
580	E	68.3	Low	71.4	Confident	64 Å²	64	52.8 Å²	52.8	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-48.3	-47	-168.7	-66.1	-175.5	175	0	0	113.6	V582 L583 K632 V635	E580-V582 VanDerWaalsContact C-N 3.26Å; E580-V582 PolarHBondContact O-N 3.38Å; E580-V582 VanDerWaalsContact O-N 3.14Å; E580-L583 PolarHBondContact O-N 3.15Å; E580-K632 WeakPolarHBondContact OE1-CE 3.44Å; E580-K632 VanDerWaalsContact OE2-CE 3.23Å; E580-K632 WeakPolarHBondContact OE2-CE 3.47Å; E580-K632 VanDerWaalsContact OE2-CG 3.27Å; E580-K632 WeakPolarHBondContact OE2-CG 3.41Å; E580-V635 HydrophobicContact CB-CG2 4.35Å; E580-V635 WeakPolarHBondContact O-CG2 3.3Å
581	D	70.4	Confident	71.3	Confident	139 Å²	139	52.8 Å²	52.8	74%	0.743	26%	0.263	S	S	*	.	H	α-helix	trans	-61.9	-25.7	-176.1	-48.1	-26.3	0	0	0	115.1	C579	C579-D581 VanDerWaalsContact C-N 3.32Å; C579-D581 PolarHBondContact O-N 3.37Å; C579-D581 VanDerWaalsContact O-N 3.13Å
582	V	76.3	Confident	71.2	Confident	12 Å²	12	52.4 Å²	52.4	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-103.8	-26.1	-174.1	-173.8	0	0	0	0	111.6	L542 Q543 V546 C579 E580 S584 K585 F586	L542-V582 HydrophobicContact CB-CG1 4.06Å; Q543-V582 VanDerWaalsContact OE1-CG2 3.25Å; V546-V582 HydrophobicContact CB-CG1 4.5Å; V546-V582 HydrophobicContact CG2-CG1 3.97Å; C579-V582 PolarHBondContact O-N 2.8Å; E580-V582 VanDerWaalsContact C-N 3.26Å; E580-V582 PolarHBondContact O-N 3.38Å; E580-V582 VanDerWaalsContact O-N 3.14Å; V582-S584 VanDerWaalsContact C-N 3.34Å; V582-S584 PolarHBondContact O-N 2.92Å; V582-K585 PolarHBondContact O-N 2.95Å; V582-F586 PolarHBondContact O-N 3.17Å; V582-F586 VanDerWaalsContact O-N 3.09Å
583	L	78.5	Confident	71.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-38.6	-172.2	-77.3	169.2	0	0	0	113.4	L542 V572 C579 E580 K585 F586 F587 Y614 V635	L542-L583 HydrophobicContact CD1-CD2 3.69Å; L542-L583 HydrophobicContact CD1-CG 4.35Å; L542-L583 HydrophobicContact CD2-CD2 4.34Å; V572-L583 HydrophobicContact CB-CD2 4.45Å; V572-L583 HydrophobicContact CG1-CD2 3.38Å; V572-L583 HydrophobicContact CG2-CD2 4.22Å; C579-L583 HydrophobicContact CB-CD1 3.84Å; C579-L583 HydrophobicContact CB-CD2 4.2Å; C579-L583 HydrophobicContact CB-CG 3.75Å; C579-L583 WeakPolarHBondContact O-CG 3.27Å; C579-L583 PolarHBondContact O-N 2.84Å; E580-L583 PolarHBondContact O-N 3.15Å; L583-K585 PolarHBondContact O-N 3.38Å; L583-F586 PolarHBondContact O-N 3.07Å; L583-F587 HydrophobicContact CB-CD2 4.31Å; L583-F587 HydrophobicContact CB-CE2 3.83Å; L583-F587 HydrophobicContact CB-CZ 4.37Å; L583-F587 HydrophobicContact CD2-CE1 4.46Å; L583-F587 HydrophobicContact CD2-CE2 4.11Å; L583-F587 HydrophobicContact CD2-CZ 3.78Å; L583-F587 HydrophobicContact CG-CE2 4.44Å; L583-F587 WeakPolarHBondContact O-CD2 3.35Å; L583-F587 VanDerWaalsContact O-CG 3.25Å; L583-F587 WeakPolarHBondContact O-CG 3.21Å; L583-F587 PolarHBondContact O-N 2.77Å; L583-Y614 HydrophobicContact CD1-CE1 3.83Å; L583-Y614 WeakPolarHBondContact CD1-OH 3.46Å; L583-V635 HydrophobicContact CB-CG1 3.83Å; L583-V635 HydrophobicContact CB-CG2 4.11Å; L583-V635 HydrophobicContact CD1-CG1 3.89Å
584	S	73.8	Confident	71.2	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-46.1	178.2	176.5	0	0	0	0	111.9	V582 F587 K588 E634 S638	V582-S584 VanDerWaalsContact C-N 3.34Å; V582-S584 PolarHBondContact O-N 2.92Å; S584-F587 PolarHBondContact O-N 3.5Å; S584-K588 WeakPolarHBondContact O-CG 3.45Å; S584-K588 PolarHBondContact O-N 2.88Å; S584-K588 WeakPolarHBondContact OG-CE 3.39Å; S584-K588 PolarHBondContact OG-NZ 2.95Å; S584-E634 WeakPolarHBondContact OG-CG 3.24Å; S584-E634 PolarHBondContact OG-OE1 3.38Å; S584-S638 PolarHBondContact OG-OG 3.39Å
585	K	78.1	Confident	71	Confident	135 Å²	135	47 Å²	47	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-63.2	-44.8	177.9	-67.6	-178	-179.6	178.1	0	111.2	V546 V582 L583 F587 K588 S589	V546-K585 HydrophobicContact CG1-CB 3.91Å; V546-K585 HydrophobicContact CG1-CD 4.06Å; V546-K585 HydrophobicContact CG2-CB 4.25Å; V582-K585 PolarHBondContact O-N 2.95Å; L583-K585 PolarHBondContact O-N 3.38Å; K585-F587 PolarHBondContact O-N 3.46Å; K585-K588 PolarHBondContact O-N 3.41Å; K585-S589 PolarHBondContact O-N 3.12Å
586	F	80.4	Confident	71	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-49.2	175.9	174.5	-103.3	0	0	0	111.8	L542 I545 V546 L565 V568 V582 L583 K588 S589 V590	L542-F586 HydrophobicContact CD2-CB 3.81Å; L542-F586 HydrophobicContact CD2-CD1 3.52Å; L542-F586 HydrophobicContact CD2-CD2 3.56Å; L542-F586 HydrophobicContact CD2-CE1 3.92Å; L542-F586 HydrophobicContact CD2-CE2 3.95Å; L542-F586 HydrophobicContact CD2-CG 3.32Å; L542-F586 HydrophobicContact CD2-CZ 4.12Å; I545-F586 HydrophobicContact CB-CD2 4.5Å; I545-F586 HydrophobicContact CD1-CE2 4.06Å; I545-F586 HydrophobicContact CG2-CD2 4.1Å; I545-F586 HydrophobicContact CG2-CE2 4.07Å; V546-F586 HydrophobicContact CG2-CB 3.96Å; L565-F586 HydrophobicContact CD2-CE2 3.83Å; L565-F586 HydrophobicContact CD2-CZ 4.14Å; V568-F586 HydrophobicContact CB-CZ 4.22Å; V568-F586 HydrophobicContact CG1-CE1 4.31Å; V568-F586 HydrophobicContact CG1-CE2 4.08Å; V568-F586 HydrophobicContact CG1-CZ 3.77Å; V582-F586 PolarHBondContact O-N 3.17Å; V582-F586 VanDerWaalsContact O-N 3.09Å; L583-F586 PolarHBondContact O-N 3.07Å; F586-K588 VanDerWaalsContact C-N 3.32Å; F586-K588 PolarHBondContact O-N 3.17Å; F586-S589 PolarHBondContact O-N 3.29Å; F586-V590 HydrophobicContact CD1-CG2 4.34Å; F586-V590 HydrophobicContact CD2-CG2 4.24Å; F586-V590 HydrophobicContact CE1-CG2 3.92Å; F586-V590 HydrophobicContact CE2-CG2 3.81Å; F586-V590 HydrophobicContact CG-CG2 4.5Å; F586-V590 HydrophobicContact CZ-CG2 3.64Å; F586-V590 WeakPolarHBondContact O-CG2 3.26Å; F586-V590 PolarHBondContact O-N 2.82Å
587	F	78.1	Confident	71	Confident	3 Å²	3	46.4 Å²	46.4	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-35.8	-179.9	-63.9	-39.2	0	0	0	112.9	V572 L583 S584 K585 A591 Y614 V635 Y639 L642	V572-F587 HydrophobicContact CG1-CZ 4.42Å; L583-F587 HydrophobicContact CB-CD2 4.31Å; L583-F587 HydrophobicContact CB-CE2 3.83Å; L583-F587 HydrophobicContact CB-CZ 4.37Å; L583-F587 HydrophobicContact CD2-CE1 4.46Å; L583-F587 HydrophobicContact CD2-CE2 4.11Å; L583-F587 HydrophobicContact CD2-CZ 3.78Å; L583-F587 HydrophobicContact CG-CE2 4.44Å; L583-F587 WeakPolarHBondContact O-CD2 3.35Å; L583-F587 VanDerWaalsContact O-CG 3.25Å; L583-F587 WeakPolarHBondContact O-CG 3.21Å; L583-F587 PolarHBondContact O-N 2.77Å; S584-F587 PolarHBondContact O-N 3.5Å; K585-F587 PolarHBondContact O-N 3.46Å; F587-A591 VanDerWaalsContact O-CB 3.25Å; F587-A591 WeakPolarHBondContact O-CB 3.39Å; F587-A591 PolarHBondContact O-N 3.09Å; F587-Y614 HydrophobicContact CE2-CE2 4.25Å; F587-Y614 AromaticContact CZ-CE2 3.97Å; F587-Y614 HydrophobicContact CZ-CE2 3.97Å; F587-V635 HydrophobicContact CE2-CG1 4.2Å; F587-Y639 HydrophobicContact CD1-CD2 4.29Å; F587-Y639 HydrophobicContact CD2-CD2 4.36Å; F587-Y639 AromaticContact CE1-CD2 3.68Å; F587-Y639 HydrophobicContact CE1-CD2 3.68Å; F587-Y639 HydrophobicContact CE1-CE2 4.33Å; F587-Y639 AromaticContact CE2-CD2 3.76Å; F587-Y639 HydrophobicContact CE2-CD2 3.76Å; F587-Y639 HydrophobicContact CE2-CG 4.11Å; F587-Y639 AromaticContact CZ-CD2 3.39Å; F587-Y639 HydrophobicContact CZ-CD2 3.39Å; F587-Y639 HydrophobicContact CZ-CE2 4.18Å; F587-Y639 HydrophobicContact CZ-CG 4.19Å; F587-L642 HydrophobicContact CB-CB 4.37Å; F587-L642 HydrophobicContact CB-CD2 4.01Å; F587-L642 HydrophobicContact CD1-CD2 3.51Å; F587-L642 HydrophobicContact CE1-CD2 4.39Å; F587-L642 HydrophobicContact CG-CD2 4.1Å
588	K	71.6	Confident	70.8	Confident	107 Å²	107	39.5 Å²	39.5	47%	0.465	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-42.3	172.8	-71.6	170.3	-175.2	166	0	111.8	S584 K585 F586 A591 S592 E634	S584-K588 WeakPolarHBondContact O-CG 3.45Å; S584-K588 PolarHBondContact O-N 2.88Å; S584-K588 WeakPolarHBondContact OG-CE 3.39Å; S584-K588 PolarHBondContact OG-NZ 2.95Å; K585-K588 PolarHBondContact O-N 3.41Å; F586-K588 VanDerWaalsContact C-N 3.32Å; F586-K588 PolarHBondContact O-N 3.17Å; K588-A591 PolarHBondContact O-N 2.65Å; K588-S592 PolarHBondContact O-N 3.34Å; K588-E634 IonicContact NZ-OE1 2.94Å; K588-E634 PolarHBondContact NZ-OE1 3.09Å
589	S	73.8	Confident	70.3	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-47.8	175.4	-179	0	0	0	0	111.2	D549 K585 F586 A591 S592 L593	D549-S589 PolarHBondContact OD1-OG 3.04Å; K585-S589 PolarHBondContact O-N 3.12Å; F586-S589 PolarHBondContact O-N 3.29Å; S589-A591 VanDerWaalsContact C-N 3.31Å; S589-A591 PolarHBondContact O-N 2.91Å; S589-S592 WeakPolarHBondContact O-CB 3.37Å; S589-S592 PolarHBondContact O-N 3.17Å; S589-S592 VanDerWaalsContact O-N 3.12Å; S589-S592 PolarHBondContact O-OG 2.91Å; S589-L593 PolarHBondContact O-N 3.34Å
590	V	73.3	Confident	69.7	Low	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-36.5	174.4	-176.1	0	0	0	0	112.1	L565 F586 S592 L593 A594 L605 L642	L565-V590 HydrophobicContact CD2-CG2 4.16Å; F586-V590 HydrophobicContact CD1-CG2 4.34Å; F586-V590 HydrophobicContact CD2-CG2 4.24Å; F586-V590 HydrophobicContact CE1-CG2 3.92Å; F586-V590 HydrophobicContact CE2-CG2 3.81Å; F586-V590 HydrophobicContact CG-CG2 4.5Å; F586-V590 HydrophobicContact CZ-CG2 3.64Å; F586-V590 WeakPolarHBondContact O-CG2 3.26Å; F586-V590 PolarHBondContact O-N 2.82Å; V590-S592 VanDerWaalsContact C-N 3.29Å; V590-S592 PolarHBondContact O-N 3.32Å; V590-L593 WeakPolarHBondContact O-CB 3.28Å; V590-L593 PolarHBondContact O-N 3.16Å; V590-L593 VanDerWaalsContact O-N 3.15Å; V590-A594 PolarHBondContact O-N 3.48Å; V590-L605 HydrophobicContact CG1-CD1 4.11Å; V590-L642 HydrophobicContact CB-CD1 4.02Å; V590-L642 HydrophobicContact CB-CD2 4.01Å; V590-L642 HydrophobicContact CG1-CD1 3.75Å; V590-L642 HydrophobicContact CG1-CD2 4.04Å
591	A	69.1	Low	69.4	Low	24 Å²	24	36.9 Å²	36.9	20%	0.198	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-34.2	176.9	0	0	0	0	0	112	F587 K588 S589 L593 A594 L642 N645	F587-A591 VanDerWaalsContact O-CB 3.25Å; F587-A591 WeakPolarHBondContact O-CB 3.39Å; F587-A591 PolarHBondContact O-N 3.09Å; K588-A591 PolarHBondContact O-N 2.65Å; S589-A591 VanDerWaalsContact C-N 3.31Å; S589-A591 PolarHBondContact O-N 2.91Å; A591-L593 VanDerWaalsContact C-N 3.26Å; A591-L593 PolarHBondContact O-N 2.95Å; A591-A594 WeakPolarHBondContact O-CB 3.47Å; A591-A594 PolarHBondContact O-N 3.27Å; A591-L642 HydrophobicContact CB-CD1 3.95Å; A591-N645 PolarHBondContact O-ND2 3.13Å
592	S	73.1	Confident	69.1	Low	72 Å²	72	30.4 Å²	30.4	50%	0.503	17%	0.174	S	C	.	.	H	α-helix	trans	-68	-26.6	174.6	80.3	0	0	0	0	113.1	K588 S589 V590	K588-S592 PolarHBondContact O-N 3.34Å; S589-S592 WeakPolarHBondContact O-CB 3.37Å; S589-S592 PolarHBondContact O-N 3.17Å; S589-S592 VanDerWaalsContact O-N 3.12Å; S589-S592 PolarHBondContact O-OG 2.91Å; V590-S592 VanDerWaalsContact C-N 3.29Å; V590-S592 PolarHBondContact O-N 3.32Å
593	L	71.1	Confident	68.3	Low	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-80	-23.9	176.3	-68.8	166.8	0	0	0	112.9	K556 Y561 L565 S589 V590 A591 S595 S596 L597	K556-L593 HydrophobicContact CD-CD2 3.55Å; K556-L593 HydrophobicContact CG-CD2 3.4Å; Y561-L593 HydrophobicContact CE1-CD1 3.74Å; L565-L593 HydrophobicContact CD1-CD1 3.86Å; S589-L593 PolarHBondContact O-N 3.34Å; V590-L593 WeakPolarHBondContact O-CB 3.28Å; V590-L593 PolarHBondContact O-N 3.16Å; V590-L593 VanDerWaalsContact O-N 3.15Å; A591-L593 VanDerWaalsContact C-N 3.26Å; A591-L593 PolarHBondContact O-N 2.95Å; L593-S595 PolarHBondContact O-N 3.2Å; L593-S595 VanDerWaalsContact O-N 3.08Å; L593-S596 PolarHBondContact O-N 3.19Å; L593-S596 PolarHBondContact O-OG 3.31Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.09Å
594	A	68.2	Low	67.4	Low	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.1	-35.2	-169.5	0	0	0	0	0	113.4	V590 A591 S596 L597 L602 L646 Q649	V590-A594 PolarHBondContact O-N 3.48Å; A591-A594 WeakPolarHBondContact O-CB 3.47Å; A591-A594 PolarHBondContact O-N 3.27Å; A594-S596 VanDerWaalsContact C-N 3.33Å; A594-S596 PolarHBondContact O-N 2.99Å; A594-L597 PolarHBondContact O-N 3.43Å; A594-L602 HydrophobicContact CB-CD2 4.24Å; A594-L602 WeakPolarHBondContact O-CD2 3.24Å; A594-L646 HydrophobicContact CB-CD2 4.02Å; A594-Q649 HydrophobicContact CB-CG 3.99Å
595	S	65	Low	67.2	Low	84 Å²	84	30.7 Å²	30.7	59%	0.587	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-71.8	-22.6	178.5	56.7	0	0	0	0	114.4	L593	L593-S595 PolarHBondContact O-N 3.2Å; L593-S595 VanDerWaalsContact O-N 3.08Å
596	S	66	Low	66.5	Low	61 Å²	61	25.3 Å²	25.3	43%	0.427	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-94.2	-8	176.1	59.8	0	0	0	0	113.2	L593 A594	L593-S596 PolarHBondContact O-N 3.19Å; L593-S596 PolarHBondContact O-OG 3.31Å; A594-S596 VanDerWaalsContact C-N 3.33Å; A594-S596 PolarHBondContact O-N 2.99Å
597	L	64.2	Low	65.6	Low	12 Å²	12	29.5 Å²	29.5	6%	0.063	17%	0.17	C	C	.	.	S	Bend	trans	-74	139.5	-179.7	-69.8	-179.1	0	0	0	110.8	Y562 L593 A594 W601 L602 L605 L646	Y562-L597 HydrophobicContact CD1-CD2 3.32Å; Y562-L597 HydrophobicContact CD2-CD2 4.28Å; Y562-L597 HydrophobicContact CE1-CD2 3.03Å; Y562-L597 HydrophobicContact CE1-CG 4.42Å; Y562-L597 HydrophobicContact CE2-CD2 4.04Å; Y562-L597 HydrophobicContact CG-CD2 3.93Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.09Å; A594-L597 PolarHBondContact O-N 3.43Å; L597-W601 HydrophobicContact CB-CB 4.23Å; L597-W601 HydrophobicContact CD1-CB 4.46Å; L597-W601 HydrophobicContact CD2-CB 3.91Å; L597-W601 HydrophobicContact CG-CB 4.43Å; L597-L602 HydrophobicContact CB-CD1 4.49Å; L597-L602 HydrophobicContact CB-CD2 3.88Å; L597-L602 HydrophobicContact CB-CG 3.76Å; L597-L602 HydrophobicContact CD1-CD2 3.91Å; L597-L602 HydrophobicContact CD1-CG 4.45Å; L597-L602 HydrophobicContact CG-CD2 4.47Å; L597-L605 HydrophobicContact CD1-CD1 3.47Å; L597-L605 VanDerWaalsContact CD1-CD1 3.47Å; L597-L646 HydrophobicContact CD1-CD2 4.27Å
598	S	56.8	Low	65.1	Low	34 Å²	34	33.3 Å²	33.3	24%	0.238	18%	0.184	C	C	.	.			trans	-64.6	156.8	165.8	73	0	0	0	0	110.5	Y600 W601 L602	S598-Y600 PolarHBondContact O-N 3.34Å; S598-Y600 VanDerWaalsContact O-N 3.12Å; S598-W601 PolarHBondContact O-N 3.49Å; S598-L602 PolarHBondContact O-N 3.27Å; S598-L602 VanDerWaalsContact O-N 3.1Å
599	P	54.9	Low	64.8	Low	27 Å²	27	28.6 Å²	28.6	18%	0.175	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-30.4	-179.3	-24.2	36.4	0	0	0	113.1	L602 E603 A653 L721	P599-L602 PolarHBondContact O-N 2.86Å; P599-E603 PolarHBondContact O-N 3.5Å; P599-A653 HydrophobicContact CB-CB 4.11Å; P599-A653 HydrophobicContact CG-CB 3.33Å; P599-L721 HydrophobicContact CB-CD1 3.72Å; P599-L721 HydrophobicContact CB-CD2 4.02Å; P599-L721 HydrophobicContact CB-CG 4.21Å
600	Y	53.8	Low	64.4	Low	38 Å²	38	30.5 Å²	30.5	15%	0.149	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-53.5	171.3	162.8	-116.5	0	0	0	112.6	S598 L602 E603 C604 E696	S598-Y600 PolarHBondContact O-N 3.34Å; S598-Y600 VanDerWaalsContact O-N 3.12Å; Y600-L602 VanDerWaalsContact C-N 3.31Å; Y600-L602 PolarHBondContact O-N 3.35Å; Y600-E603 PolarHBondContact O-N 3.03Å; Y600-C604 WeakPolarHBondContact CE2-SG 3.38Å; Y600-C604 PolarHBondContact O-N 3.35Å; Y600-E696 HydrophobicContact CD2-CB 3.91Å; Y600-E696 HydrophobicContact CE2-CB 3.46Å; Y600-E696 VanDerWaalsContact CE2-CB 3.46Å; Y600-E696 HydrophobicContact CE2-CG 3.71Å
601	W	60.9	Low	63.8	Low	10 Å²	10	31.5 Å²	31.5	4%	0.038	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-34.1	-178.4	-70.5	121.5	0	0	0	112.2	D559 Y562 S563 V566 L597 S598 C604 L605	D559-W601 HydrophobicContact CB-CZ2 3.7Å; D559-W601 WeakPolarHBondContact O-CH2 3.45Å; D559-W601 WeakPolarHBondContact O-CZ2 3.35Å; D559-W601 PolarHBondContact OD1-NE1 3.46Å; Y562-W601 VanDerWaalsContact CB-CE2 3.48Å; Y562-W601 AromaticContact CD2-CD1 3.37Å; Y562-W601 AromaticContact CD2-CD2 3.94Å; Y562-W601 HydrophobicContact CD2-CD2 3.94Å; Y562-W601 AromaticContact CD2-CE2 3.66Å; Y562-W601 AromaticContact CD2-CG 3.81Å; Y562-W601 HydrophobicContact CD2-CG 3.81Å; Y562-W601 HydrophobicContact CD2-CZ2 4.37Å; Y562-W601 AromaticContact CD2-NE1 3.3Å; Y562-W601 VanDerWaalsContact CD2-NE1 3.3Å; Y562-W601 AromaticContact CE2-CD1 3.92Å; Y562-W601 AromaticContact CG-CD1 3.96Å; Y562-W601 AromaticContact CG-CD2 3.89Å; Y562-W601 HydrophobicContact CG-CD2 3.89Å; Y562-W601 AromaticContact CG-CE2 3.99Å; Y562-W601 HydrophobicContact CG-CE3 4.41Å; Y562-W601 AromaticContact CG-CG 3.92Å; Y562-W601 HydrophobicContact CG-CG 3.92Å; S563-W601 VanDerWaalsContact OG-CH2 3.27Å; S563-W601 WeakPolarHBondContact OG-CH2 3.49Å; V566-W601 HydrophobicContact CG2-CE3 4.22Å; V566-W601 HydrophobicContact CG2-CZ3 4.26Å; L597-W601 HydrophobicContact CB-CB 4.23Å; L597-W601 HydrophobicContact CD1-CB 4.46Å; L597-W601 HydrophobicContact CD2-CB 3.91Å; L597-W601 HydrophobicContact CG-CB 4.43Å; S598-W601 PolarHBondContact O-N 3.49Å; W601-C604 HydrophobicContact CE3-CB 4.42Å; W601-C604 PolarHBondContact O-N 2.97Å; W601-L605 WeakPolarHBondContact O-CG 3.41Å; W601-L605 PolarHBondContact O-N 3.22Å
602	L	64.8	Low	63.4	Low	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-48.8	171.5	-70.2	170.3	0	0	0	111.3	A594 L597 S598 P599 Y600 W606 L646 Q649 L650	A594-L602 HydrophobicContact CB-CD2 4.24Å; A594-L602 WeakPolarHBondContact O-CD2 3.24Å; L597-L602 HydrophobicContact CB-CD1 4.49Å; L597-L602 HydrophobicContact CB-CD2 3.88Å; L597-L602 HydrophobicContact CB-CG 3.76Å; L597-L602 HydrophobicContact CD1-CD2 3.91Å; L597-L602 HydrophobicContact CD1-CG 4.45Å; L597-L602 HydrophobicContact CG-CD2 4.47Å; S598-L602 PolarHBondContact O-N 3.27Å; S598-L602 VanDerWaalsContact O-N 3.1Å; P599-L602 PolarHBondContact O-N 2.86Å; Y600-L602 VanDerWaalsContact C-N 3.31Å; Y600-L602 PolarHBondContact O-N 3.35Å; L602-W606 WeakPolarHBondContact O-CB 2.9Å; L602-W606 PolarHBondContact O-N 3Å; L602-L646 HydrophobicContact CD2-CB 4.44Å; L602-L646 HydrophobicContact CD2-CD2 3.43Å; L602-L646 VanDerWaalsContact CD2-CD2 3.43Å; L602-Q649 HydrophobicContact CD1-CB 3.47Å; L602-Q649 VanDerWaalsContact CD1-CB 3.47Å; L602-Q649 HydrophobicContact CD2-CB 3.8Å; L602-Q649 HydrophobicContact CD2-CG 4.49Å; L602-Q649 HydrophobicContact CG-CB 4.31Å; L602-L650 HydrophobicContact CB-CB 4.43Å; L602-L650 HydrophobicContact CB-CD1 4.16Å
603	E	58.4	Low	63	Low	4 Å²	4	34.3 Å²	34.3	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-39.7	178.6	-166.8	173.3	156	0	0	112.6	P599 Y600 W606 K607 L650 L697 Y737	P599-E603 PolarHBondContact O-N 3.5Å; Y600-E603 PolarHBondContact O-N 3.03Å; E603-W606 HydrophobicContact CG-CE3 4.27Å; E603-W606 PolarHBondContact O-N 2.6Å; E603-K607 HydrophobicContact CG-CD 4.14Å; E603-K607 HydrophobicContact CG-CG 4.27Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 WeakPolarHBondContact O-CG 3.46Å; E603-K607 PolarHBondContact O-N 2.79Å; E603-K607 WeakPolarHBondContact OE1-CE 3.16Å; E603-K607 IonicContact OE1-NZ 2.67Å; E603-K607 PolarHBondContact OE1-NZ 3.1Å; E603-L650 HydrophobicContact CB-CD1 3.75Å; E603-L650 HydrophobicContact CG-CD1 4.41Å; E603-L697 WeakPolarHBondContact OE2-CD1 3.46Å; E603-Y737 PolarHBondContact OE1-OH 3.19Å
604	C	60.9	Low	62.8	Low	20 Å²	20	35.1 Å²	35.1	14%	0.135	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-44.3	177.3	-78.4	0	0	0	0	112.8	V566 Y600 W601 R608	V566-C604 HydrophobicContact CG2-CB 3.9Å; Y600-C604 WeakPolarHBondContact CE2-SG 3.38Å; Y600-C604 PolarHBondContact O-N 3.35Å; W601-C604 HydrophobicContact CE3-CB 4.42Å; W601-C604 PolarHBondContact O-N 2.97Å; C604-R608 WeakPolarHBondContact O-CG 3.44Å
605	L	69.3	Low	62.5	Low	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-47.1	174.9	-73.7	169.5	0	0	0	110.4	L565 V566 V590 L597 W601 K607 R608 M609 L646	L565-L605 HydrophobicContact CB-CD2 4.02Å; V566-L605 HydrophobicContact CB-CD2 4.48Å; V566-L605 HydrophobicContact CG2-CD2 3.73Å; V566-L605 HydrophobicContact CG2-CG 3.98Å; V590-L605 HydrophobicContact CG1-CD1 4.11Å; L597-L605 HydrophobicContact CD1-CD1 3.47Å; L597-L605 VanDerWaalsContact CD1-CD1 3.47Å; W601-L605 WeakPolarHBondContact O-CG 3.41Å; W601-L605 PolarHBondContact O-N 3.22Å; L605-K607 PolarHBondContact O-N 3.03Å; L605-R608 PolarHBondContact O-N 3.47Å; L605-M609 WeakPolarHBondContact O-CG 3.45Å; L605-M609 PolarHBondContact O-N 3.2Å; L605-L646 HydrophobicContact CB-CD1 3.85Å; L605-L646 HydrophobicContact CB-CD2 4.41Å; L605-L646 HydrophobicContact CD1-CD2 4.14Å
606	W	63	Low	62.4	Low	21 Å²	21	36.4 Å²	36.4	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.3	-179.2	175	67.6	0	0	0	113	L602 E603 R608 M609 Y643 L647 I1073	L602-W606 WeakPolarHBondContact O-CB 2.9Å; L602-W606 PolarHBondContact O-N 3Å; E603-W606 HydrophobicContact CG-CE3 4.27Å; E603-W606 PolarHBondContact O-N 2.6Å; W606-R608 PolarHBondContact O-N 2.91Å; W606-R608 VanDerWaalsContact O-N 3.15Å; W606-M609 WeakPolarHBondContact O-CB 3.07Å; W606-M609 PolarHBondContact O-N 3.32Å; W606-Y643 AromaticContact CD1-CD2 3.78Å; W606-Y643 AromaticContact CD1-CE2 3.37Å; W606-Y643 AromaticContact CD1-CZ 3.64Å; W606-Y643 AromaticContact NE1-CE1 3.67Å; W606-Y643 AromaticContact NE1-CE2 3.2Å; W606-Y643 AromaticContact NE1-CZ 3Å; W606-Y643 PolarHBondContact NE1-OH 3.18Å; W606-L647 HydrophobicContact CD2-CD2 4.19Å; W606-L647 HydrophobicContact CG-CD2 4.37Å; W606-L647 HydrophobicContact CZ2-CD2 4.16Å; W606-I1073 HydrophobicContact CE3-CD1 4.46Å; W606-I1073 HydrophobicContact CE3-CG2 4.39Å; W606-I1073 HydrophobicContact CH2-CB 3.74Å; W606-I1073 HydrophobicContact CH2-CD1 4.18Å; W606-I1073 HydrophobicContact CH2-CG1 3.49Å; W606-I1073 VanDerWaalsContact CH2-CG1 3.49Å; W606-I1073 HydrophobicContact CH2-CG2 3.73Å; W606-I1073 HydrophobicContact CZ2-CB 4.28Å; W606-I1073 HydrophobicContact CZ2-CG1 4.48Å; W606-I1073 HydrophobicContact CZ2-CG2 3.94Å; W606-I1073 HydrophobicContact CZ3-CB 4.13Å; W606-I1073 HydrophobicContact CZ3-CD1 3.69Å; W606-I1073 HydrophobicContact CZ3-CG1 3.54Å; W606-I1073 HydrophobicContact CZ3-CG2 3.93Å
607	K	62.2	Low	62.2	Low	89 Å²	89	34.5 Å²	34.5	39%	0.387	18%	0.181	S	C	.	.	H	α-helix	trans	-59.5	-25.3	177.5	-80.2	179	177.9	163.5	0	113.7	E603 L605	E603-K607 HydrophobicContact CG-CD 4.14Å; E603-K607 HydrophobicContact CG-CG 4.27Å; E603-K607 WeakPolarHBondContact O-CB 3.42Å; E603-K607 WeakPolarHBondContact O-CG 3.46Å; E603-K607 PolarHBondContact O-N 2.79Å; E603-K607 WeakPolarHBondContact OE1-CE 3.16Å; E603-K607 IonicContact OE1-NZ 2.67Å; E603-K607 PolarHBondContact OE1-NZ 3.1Å; L605-K607 PolarHBondContact O-N 3.03Å
608	R	67.5	Low	61.9	Low	83 Å²	83	40.3 Å²	40.3	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-84	-16.8	176.4	-65.6	-61.9	179.7	-176	-20.5	113.1	V566 D570 T573 C604 L605 W606	V566-R608 HydrophobicContact CG1-CG 3.88Å; D570-R608 HydrophobicContact CB-CG 4.4Å; D570-R608 WeakPolarHBondContact OD1-CD 3.11Å; D570-R608 IonicContact OD1-CZ 3.61Å; D570-R608 IonicContact OD1-NE 2.99Å; D570-R608 IonicContact OD1-NH1 3.06Å; D570-R608 PolarHBondContact OD1-NH1 3.44Å; T573-R608 WeakPolarHBondContact CG2-O 3.48Å; T573-R608 PolarHBondContact OG1-O 3.26Å; C604-R608 WeakPolarHBondContact O-CG 3.44Å; L605-R608 PolarHBondContact O-N 3.47Å; W606-R608 PolarHBondContact O-N 2.91Å; W606-R608 VanDerWaalsContact O-N 3.15Å
609	M	65.5	Low	61.7	Low	8 Å²	8	43.7 Å²	43.7	4%	0.039	23%	0.227	C	C	.	.			trans	-88.1	128.8	177.3	-66.1	-180	-172.5	0	0	110.1	L605 W606 Y639 L642 Y643 L646	L605-M609 WeakPolarHBondContact O-CG 3.45Å; L605-M609 PolarHBondContact O-N 3.2Å; W606-M609 WeakPolarHBondContact O-CB 3.07Å; W606-M609 PolarHBondContact O-N 3.32Å; M609-Y639 VanDerWaalsContact CA-OH 3.31Å; M609-Y639 WeakPolarHBondContact CA-OH 3.29Å; M609-Y639 HydrophobicContact CB-CE2 4.24Å; M609-Y639 WeakPolarHBondContact CB-OH 3.22Å; M609-Y639 HydrophobicContact CG-CE2 3.91Å; M609-Y639 HydrophobicContact SD-CE2 4.26Å; M609-L642 HydrophobicContact CE-CD2 3.35Å; M609-L642 HydrophobicContact CE-CG 3.79Å; M609-L642 HydrophobicContact SD-CD2 4.27Å; M609-L642 HydrophobicContact SD-CG 4.23Å; M609-Y643 HydrophobicContact CB-CD2 3.76Å; M609-Y643 HydrophobicContact CB-CE2 4.21Å; M609-Y643 HydrophobicContact SD-CD2 4.43Å; M609-L646 HydrophobicContact CE-CD1 3.68Å; M609-L646 HydrophobicContact SD-CD1 3.74Å
610	N	64.9	Low	61.2	Low	49 Å²	49	51 Å²	51	26%	0.262	26%	0.259	S	S	.	.			trans	-113.7	133.5	165.9	-177	32	0	0	0	109.4	D612 V613 Y639 R1071	N610-D612 PolarHBondContact O-N 2.83Å; N610-V613 HydrophobicContact CB-CG2 3.77Å; N610-V613 WeakPolarHBondContact O-CB 3.05Å; N610-V613 WeakPolarHBondContact O-CG2 2.99Å; N610-V613 PolarHBondContact O-N 3.46Å; N610-Y639 PolarHBondContact N-OH 3.19Å; N610-Y639 WeakPolarHBondContact O-CE1 3.12Å; N610-Y639 PolarHBondContact O-OH 3.5Å; N610-R1071 PolarHBondContact OD1-NH1 2.99Å; N610-R1071 VanDerWaalsContact OD1-NH1 3.1Å
611	L	61.4	Low	60.8	Low	22 Å²	22	54.2 Å²	54.2	12%	0.115	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64	-29.1	-174.9	-68.5	144.6	0	0	0	112.9	V613 Y643 S1080	L611-V613 PolarHBondContact O-N 3.45Å; L611-Y643 HydrophobicContact CD1-CE1 4.1Å; L611-Y643 HydrophobicContact CD2-CD1 3.64Å; L611-Y643 HydrophobicContact CD2-CD2 4.27Å; L611-Y643 HydrophobicContact CD2-CE1 3.67Å; L611-Y643 HydrophobicContact CD2-CE2 4.3Å; L611-Y643 HydrophobicContact CD2-CG 3.95Å; L611-Y643 HydrophobicContact CG-CD1 4.37Å; L611-Y643 HydrophobicContact CG-CD2 4.43Å; L611-Y643 HydrophobicContact CG-CE1 4Å; L611-Y643 HydrophobicContact CG-CE2 4.06Å; L611-S1080 WeakPolarHBondContact CD1-OG 3.46Å; L611-S1080 VanDerWaalsContact CD2-CB 3.5Å; L611-S1080 VanDerWaalsContact CD2-OG 3.23Å; L611-S1080 WeakPolarHBondContact CD2-OG 3.08Å
612	D	60	Low	59.8	Low	124 Å²	124	58.8 Å²	58.8	66%	0.663	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-78.9	-3.9	-176.4	-50.9	-38.8	0	0	0	112.8	N610	N610-D612 PolarHBondContact O-N 2.83Å
613	V	64.4	Low	59.2	Low	31 Å²	31	62 Å²	62	19%	0.188	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-68.8	-44.1	-176	174.4	0	0	0	0	111.9	T573 P576 N610 L611 Y639	T573-V613 HydrophobicContact CG2-CG1 4.33Å; T573-V613 HydrophobicContact CG2-CG2 4.25Å; P576-V613 HydrophobicContact CB-CG1 4.26Å; N610-V613 HydrophobicContact CB-CG2 3.77Å; N610-V613 WeakPolarHBondContact O-CB 3.05Å; N610-V613 WeakPolarHBondContact O-CG2 2.99Å; N610-V613 PolarHBondContact O-N 3.46Å; L611-V613 PolarHBondContact O-N 3.45Å; V613-Y639 HydrophobicContact CB-CE1 4.4Å
614	Y	67	Low	58.8	Low	16 Å²	16	69.2 Å²	69.2	6%	0.063	39%	0.385	C	S	.	.	S	Bend	trans	-117.9	89.4	176.2	-62.6	-75.3	0	0	0	108.2	V572 P576 L583 F587 V635 Y639	V572-Y614 HydrophobicContact CG1-CE2 4.39Å; V572-Y614 WeakPolarHBondContact CG1-OH 3.07Å; P576-Y614 WeakPolarHBondContact CA-OH 3.5Å; P576-Y614 HydrophobicContact CB-CD1 4.13Å; P576-Y614 HydrophobicContact CB-CE1 3.37Å; L583-Y614 HydrophobicContact CD1-CE1 3.83Å; L583-Y614 WeakPolarHBondContact CD1-OH 3.46Å; F587-Y614 HydrophobicContact CE2-CE2 4.25Å; F587-Y614 AromaticContact CZ-CE2 3.97Å; F587-Y614 HydrophobicContact CZ-CE2 3.97Å; Y614-V635 HydrophobicContact CD1-CG1 3.83Å; Y614-V635 HydrophobicContact CE1-CG1 3.93Å; Y614-V635 HydrophobicContact CG-CG1 4.22Å; Y614-Y639 AromaticContact CD2-CD1 3.74Å; Y614-Y639 HydrophobicContact CD2-CD1 3.74Å; Y614-Y639 AromaticContact CD2-CD2 3.89Å; Y614-Y639 HydrophobicContact CD2-CD2 3.89Å; Y614-Y639 HydrophobicContact CD2-CE1 4.05Å; Y614-Y639 HydrophobicContact CD2-CE2 4.18Å; Y614-Y639 AromaticContact CD2-CG 3.62Å; Y614-Y639 HydrophobicContact CD2-CG 3.62Å; Y614-Y639 HydrophobicContact CE2-CD2 4.12Å; Y614-Y639 HydrophobicContact CE2-CE2 4.28Å; Y614-Y639 HydrophobicContact CE2-CG 4.31Å; Y614-Y639 HydrophobicContact CG-CD1 4.5Å
615	S	62.9	Low	58.7	Low	88 Å²	88	74 Å²	74	62%	0.615	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67.3	148	168.8	51.3	0	0	0	0	109.9
616	F	62.4	Low	58.3	Low	24 Å²	24	81.9 Å²	81.9	11%	0.105	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-64.7	140.1	166.9	-76.3	-79.3	0	0	0	109	F633 A636 F637 C1087 L1088	F616-F633 AromaticContact CD1-CD2 3.45Å; F616-F633 HydrophobicContact CD1-CD2 3.45Å; F616-F633 VanDerWaalsContact CD1-CD2 3.45Å; F616-F633 AromaticContact CD1-CE2 3.41Å; F616-F633 HydrophobicContact CD1-CE2 3.41Å; F616-F633 VanDerWaalsContact CD1-CE2 3.41Å; F616-F633 HydrophobicContact CD1-CG 4.38Å; F616-F633 HydrophobicContact CD1-CZ 4.32Å; F616-F633 AromaticContact CE1-CD2 3.7Å; F616-F633 HydrophobicContact CE1-CD2 3.7Å; F616-F633 HydrophobicContact CE1-CE1 4.49Å; F616-F633 AromaticContact CE1-CE2 3.31Å; F616-F633 HydrophobicContact CE1-CE2 3.31Å; F616-F633 HydrophobicContact CE1-CG 4.43Å; F616-F633 AromaticContact CE1-CZ 3.77Å; F616-F633 HydrophobicContact CE1-CZ 3.77Å; F616-F633 HydrophobicContact CZ-CE2 4.43Å; F616-A636 HydrophobicContact CD1-CB 4.01Å; F616-A636 HydrophobicContact CE1-CB 4.19Å; F616-A636 HydrophobicContact CG-CB 4.39Å; F616-F637 HydrophobicContact CE1-CB 4.38Å; F616-C1087 HydrophobicContact CD2-CB 3.14Å; F616-C1087 VanDerWaalsContact CD2-SG 3.59Å; F616-C1087 HydrophobicContact CE2-CB 3.24Å; F616-C1087 HydrophobicContact CG-CB 3.95Å; F616-C1087 HydrophobicContact CZ-CB 4.18Å; F616-L1088 HydrophobicContact CZ-CD2 4.48Å
617	P	61.5	Low	58.4	Low	21 Å²	21	87 Å²	87	14%	0.136	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-61.8	136.3	175.7	23	-30.7	0	0	0	110.8	L621 Y629 K632 F633	P617-L621 HydrophobicContact CB-CD1 3.81Å; P617-Y629 HydrophobicContact CB-CD2 3.77Å; P617-Y629 HydrophobicContact CB-CE2 3.69Å; P617-Y629 HydrophobicContact CG-CD2 3.75Å; P617-Y629 HydrophobicContact CG-CE2 3.57Å; P617-Y629 HydrophobicContact CG-CG 4.37Å; P617-K632 HydrophobicContact CG-CB 4.28Å; P617-F633 HydrophobicContact CG-CB 4.41Å
618	D	58.6	Low	58.5	Low	133 Å²	133	85.1 Å²	85.1	71%	0.711	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-66.2	141.5	174.7	-71.5	-38.8	0	0	0	110.7	Q620 L621	D618-Q620 PolarHBondContact O-N 3.29Å; D618-L621 PolarHBondContact O-N 2.89Å
619	D	51.3	Low	58.4	Low	105 Å²	105	83.2 Å²	83.2	56%	0.561	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-11.5	179.2	-73.7	-24.5	0	0	0	113.7	L621 Y629	D619-L621 PolarHBondContact O-N 3.22Å; D619-Y629 PolarHBondContact OD1-OH 3.35Å; D619-Y629 VanDerWaalsContact OD1-OH 3.04Å
620	Q	44.5	Very low	58.4	Low	180 Å²	180	88.2 Å²	88.2	84%	0.841	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	3.4	176.3	-66.4	-153.3	0	0	0	114.6	D618 S622	D618-Q620 PolarHBondContact O-N 3.29Å; Q620-S622 PolarHBondContact O-N 2.69Å
621	L	45.3	Very low	58.5	Low	107 Å²	107	87.3 Å²	87.3	56%	0.56	49%	0.492	S	S	*	.			trans	-68.1	78.6	163.7	-78.1	162.5	0	0	0	109.5	P617 D618 D619 G623 Y629	P617-L621 HydrophobicContact CB-CD1 3.81Å; D618-L621 PolarHBondContact O-N 2.89Å; D619-L621 PolarHBondContact O-N 3.22Å; L621-G623 PolarHBondContact O-N 3.04Å; L621-Y629 HydrophobicContact CB-CD2 4.21Å; L621-Y629 HydrophobicContact CD1-CD2 3.96Å
622	S	40.8	Very low	58.9	Low	106 Å²	106	90.5 Å²	90.5	74%	0.741	51%	0.505	S	S	*	.			trans	-52.5	120.7	177.5	46.8	0	0	0	0	112	Q620 N624	Q620-S622 PolarHBondContact O-N 2.69Å; S622-N624 VanDerWaalsContact C-N 3.32Å; S622-N624 PolarHBondContact O-N 3.03Å
623	G	51.3	Low	59.4	Low	71 Å²	71	85.5 Å²	85.5	73%	0.732	48%	0.477	S	S	*	.	S	Bend	trans	70.4	-50.7	146.1	0	0	0	0	0	119.7	L621	L621-G623 PolarHBondContact O-N 3.04Å
624	N	51	Low	59.6	Low	156 Å²	156	88.1 Å²	88.1	83%	0.834	49%	0.488	S	S	*	.	S	Bend	trans	-103	-10.2	-151.6	-76.2	-3.7	0	0	0	117.2	S622	S622-N624 VanDerWaalsContact C-N 3.32Å; S622-N624 PolarHBondContact O-N 3.03Å
625	D	58.5	Low	59.9	Low	120 Å²	120	87.6 Å²	87.6	64%	0.642	49%	0.486	S	S	*	.			trans	-140.9	75.7	175.7	-91.7	-39.4	0	0	0	112.5	N627 A628 Y629	D625-N627 PolarHBondContact O-N 3.26Å; D625-A628 HydrophobicContact CB-CB 3.84Å; D625-A628 PolarHBondContact O-N 3.48Å; D625-Y629 PolarHBondContact O-N 2.87Å
626	K	61.6	Low	60.2	Low	165 Å²	165	83.4 Å²	83.4	72%	0.717	46%	0.457	S	S	*	.	H	α-helix	trans	-53.1	-40.9	171.3	-84	-175.1	175.9	178.1	0	112	Y629 E630	K626-Y629 PolarHBondContact O-N 3.45Å; K626-E630 WeakPolarHBondContact O-CB 3.13Å; K626-E630 WeakPolarHBondContact O-CG 3.39Å; K626-E630 PolarHBondContact O-N 3.41Å
627	N	63.4	Low	60.5	Low	130 Å²	130	84.3 Å²	84.3	70%	0.695	46%	0.461	S	S	*	.	H	α-helix	trans	-66.2	-40.9	-177.3	-65.9	-8.1	0	0	0	112.5	D625 E630 G631	D625-N627 PolarHBondContact O-N 3.26Å; N627-E630 PolarHBondContact O-N 2.93Å; N627-G631 PolarHBondContact O-N 3.18Å
628	A	64	Low	60.9	Low	49 Å²	49	83.6 Å²	83.6	41%	0.405	46%	0.456	S	S	.	.	H	α-helix	trans	-69.7	-37.3	178.3	0	0	0	0	0	111.9	D625 K632	D625-A628 HydrophobicContact CB-CB 3.84Å; D625-A628 PolarHBondContact O-N 3.48Å; A628-K632 WeakPolarHBondContact O-CG 3.39Å; A628-K632 PolarHBondContact O-N 2.84Å; A628-K632 VanDerWaalsContact O-N 3.11Å
629	Y	65.6	Low	61.5	Low	43 Å²	43	77.3 Å²	77.3	17%	0.169	42%	0.423	C	S	.	.	H	α-helix	trans	-64.2	-43.2	173.2	-178.6	-88.3	0	0	0	111.4	P617 D619 L621 D625 K626 F633	P617-Y629 HydrophobicContact CB-CD2 3.77Å; P617-Y629 HydrophobicContact CB-CE2 3.69Å; P617-Y629 HydrophobicContact CG-CD2 3.75Å; P617-Y629 HydrophobicContact CG-CE2 3.57Å; P617-Y629 HydrophobicContact CG-CG 4.37Å; D619-Y629 PolarHBondContact OD1-OH 3.35Å; D619-Y629 VanDerWaalsContact OD1-OH 3.04Å; L621-Y629 HydrophobicContact CB-CD2 4.21Å; L621-Y629 HydrophobicContact CD1-CD2 3.96Å; D625-Y629 PolarHBondContact O-N 2.87Å; K626-Y629 PolarHBondContact O-N 3.45Å; Y629-F633 VanDerWaalsContact O-CB 3.27Å; Y629-F633 WeakPolarHBondContact O-CB 3.46Å; Y629-F633 PolarHBondContact O-N 2.93Å
630	E	66	Low	62.4	Low	113 Å²	113	73 Å²	73	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-44.5	176.8	-77.8	-178	-179.5	0	0	112.4	K626 N627 F633 E634	K626-E630 WeakPolarHBondContact O-CB 3.13Å; K626-E630 WeakPolarHBondContact O-CG 3.39Å; K626-E630 PolarHBondContact O-N 3.41Å; N627-E630 PolarHBondContact O-N 2.93Å; E630-F633 PolarHBondContact O-N 2.68Å; E630-E634 WeakPolarHBondContact O-CB 3.47Å; E630-E634 PolarHBondContact O-N 3.02Å
631	G	66.7	Low	63.5	Low	30 Å²	30	66.6 Å²	66.6	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.7	0	0	0	0	0	113.1	N627 F633 E634 V635	N627-G631 PolarHBondContact O-N 3.18Å; G631-F633 VanDerWaalsContact C-N 3.3Å; G631-F633 PolarHBondContact O-N 2.93Å; G631-E634 PolarHBondContact O-N 3.01Å; G631-V635 WeakPolarHBondContact O-CG2 2.96Å; G631-V635 PolarHBondContact O-N 3.44Å
632	K	70.6	Confident	64.8	Low	88 Å²	88	61.5 Å²	61.5	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-40	176.3	-75.7	-177.9	178.6	179.7	0	112.5	E580 P617 A628 A636	E580-K632 WeakPolarHBondContact OE1-CE 3.44Å; E580-K632 VanDerWaalsContact OE2-CE 3.23Å; E580-K632 WeakPolarHBondContact OE2-CE 3.47Å; E580-K632 VanDerWaalsContact OE2-CG 3.27Å; E580-K632 WeakPolarHBondContact OE2-CG 3.41Å; P617-K632 HydrophobicContact CG-CB 4.28Å; A628-K632 WeakPolarHBondContact O-CG 3.39Å; A628-K632 PolarHBondContact O-N 2.84Å; A628-K632 VanDerWaalsContact O-N 3.11Å; K632-A636 WeakPolarHBondContact O-CB 3.47Å; K632-A636 PolarHBondContact O-N 3.46Å
633	F	69.6	Low	66.1	Low	20 Å²	20	56.7 Å²	56.7	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-45	175.2	-177.1	-86.7	0	0	0	111.6	F616 P617 Y629 E630 G631 V635 A636 F637 L1088 R1095	F616-F633 AromaticContact CD1-CD2 3.45Å; F616-F633 HydrophobicContact CD1-CD2 3.45Å; F616-F633 VanDerWaalsContact CD1-CD2 3.45Å; F616-F633 AromaticContact CD1-CE2 3.41Å; F616-F633 HydrophobicContact CD1-CE2 3.41Å; F616-F633 VanDerWaalsContact CD1-CE2 3.41Å; F616-F633 HydrophobicContact CD1-CG 4.38Å; F616-F633 HydrophobicContact CD1-CZ 4.32Å; F616-F633 AromaticContact CE1-CD2 3.7Å; F616-F633 HydrophobicContact CE1-CD2 3.7Å; F616-F633 HydrophobicContact CE1-CE1 4.49Å; F616-F633 AromaticContact CE1-CE2 3.31Å; F616-F633 HydrophobicContact CE1-CE2 3.31Å; F616-F633 HydrophobicContact CE1-CG 4.43Å; F616-F633 AromaticContact CE1-CZ 3.77Å; F616-F633 HydrophobicContact CE1-CZ 3.77Å; F616-F633 HydrophobicContact CZ-CE2 4.43Å; P617-F633 HydrophobicContact CG-CB 4.41Å; Y629-F633 VanDerWaalsContact O-CB 3.27Å; Y629-F633 WeakPolarHBondContact O-CB 3.46Å; Y629-F633 PolarHBondContact O-N 2.93Å; E630-F633 PolarHBondContact O-N 2.68Å; G631-F633 VanDerWaalsContact C-N 3.3Å; G631-F633 PolarHBondContact O-N 2.93Å; F633-V635 VanDerWaalsContact C-N 3.33Å; F633-V635 PolarHBondContact O-N 2.92Å; F633-A636 PolarHBondContact O-N 3.01Å; F633-F637 HydrophobicContact CD1-CB 4.44Å; F633-F637 HydrophobicContact CE1-CB 4.18Å; F633-F637 WeakPolarHBondContact O-CB 3.49Å; F633-F637 PolarHBondContact O-N 3.19Å; F633-L1088 HydrophobicContact CZ-CD2 3.9Å; F633-R1095 VanDerWaalsContact CD2-CZ 3.49Å; F633-R1095 VanDerWaalsContact CE2-CZ 3.48Å; F633-R1095 VanDerWaalsContact CG-NH2 3.27Å; F633-R1095 VanDerWaalsContact CZ-CD 3.44Å
634	E	69.1	Low	66.7	Low	86 Å²	86	53.8 Å²	53.8	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-39.2	-179.8	-163.6	-174.7	-177.5	0	0	112	S584 K588 E630 G631 S638	S584-E634 WeakPolarHBondContact OG-CG 3.24Å; S584-E634 PolarHBondContact OG-OE1 3.38Å; K588-E634 IonicContact NZ-OE1 2.94Å; K588-E634 PolarHBondContact NZ-OE1 3.09Å; E630-E634 WeakPolarHBondContact O-CB 3.47Å; E630-E634 PolarHBondContact O-N 3.02Å; G631-E634 PolarHBondContact O-N 3.01Å; E634-S638 VanDerWaalsContact O-CB 3.25Å; E634-S638 WeakPolarHBondContact O-CB 3.19Å; E634-S638 PolarHBondContact O-N 3.36Å; E634-S638 PolarHBondContact O-OG 3.4Å
635	V	72.5	Confident	67.4	Low	4 Å²	4	48.4 Å²	48.4	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-51.8	174.5	174.7	0	0	0	0	110.9	E580 L583 F587 Y614 G631 F633 F637 S638 Y639	E580-V635 HydrophobicContact CB-CG2 4.35Å; E580-V635 WeakPolarHBondContact O-CG2 3.3Å; L583-V635 HydrophobicContact CB-CG1 3.83Å; L583-V635 HydrophobicContact CB-CG2 4.11Å; L583-V635 HydrophobicContact CD1-CG1 3.89Å; F587-V635 HydrophobicContact CE2-CG1 4.2Å; Y614-V635 HydrophobicContact CD1-CG1 3.83Å; Y614-V635 HydrophobicContact CE1-CG1 3.93Å; Y614-V635 HydrophobicContact CG-CG1 4.22Å; G631-V635 WeakPolarHBondContact O-CG2 2.96Å; G631-V635 PolarHBondContact O-N 3.44Å; F633-V635 VanDerWaalsContact C-N 3.33Å; F633-V635 PolarHBondContact O-N 2.92Å; V635-F637 VanDerWaalsContact C-N 3.29Å; V635-F637 PolarHBondContact O-N 3.04Å; V635-S638 PolarHBondContact O-N 3.27Å; V635-Y639 VanDerWaalsContact O-CB 3.28Å; V635-Y639 WeakPolarHBondContact O-CB 3.39Å; V635-Y639 PolarHBondContact O-N 2.98Å
636	A	69.9	Low	67.8	Low	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-41.8	178.9	0	0	0	0	0	111.5	F616 K632 F633 R640	F616-A636 HydrophobicContact CD1-CB 4.01Å; F616-A636 HydrophobicContact CE1-CB 4.19Å; F616-A636 HydrophobicContact CG-CB 4.39Å; K632-A636 WeakPolarHBondContact O-CB 3.47Å; K632-A636 PolarHBondContact O-N 3.46Å; F633-A636 PolarHBondContact O-N 3.01Å; A636-R640 VanDerWaalsContact O-CB 3.26Å; A636-R640 WeakPolarHBondContact O-CB 3.37Å; A636-R640 WeakPolarHBondContact O-CD 3.26Å; A636-R640 WeakPolarHBondContact O-CG 3.33Å; A636-R640 PolarHBondContact O-N 3Å
637	F	69.7	Low	67.8	Low	43 Å²	43	35.4 Å²	35.4	19%	0.189	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-52	176.2	-179.9	-107.5	0	0	0	111.9	F616 F633 V635 Y639 R640 M641 L1088	F616-F637 HydrophobicContact CE1-CB 4.38Å; F633-F637 HydrophobicContact CD1-CB 4.44Å; F633-F637 HydrophobicContact CE1-CB 4.18Å; F633-F637 WeakPolarHBondContact O-CB 3.49Å; F633-F637 PolarHBondContact O-N 3.19Å; V635-F637 VanDerWaalsContact C-N 3.29Å; V635-F637 PolarHBondContact O-N 3.04Å; F637-Y639 VanDerWaalsContact C-N 3.31Å; F637-Y639 PolarHBondContact O-N 3.35Å; F637-R640 PolarHBondContact O-N 3.37Å; F637-M641 HydrophobicContact CD1-CG 4.2Å; F637-M641 HydrophobicContact CD2-CG 4.13Å; F637-M641 HydrophobicContact CE1-CG 3.82Å; F637-M641 HydrophobicContact CE2-CG 3.74Å; F637-M641 HydrophobicContact CE2-SD 4.12Å; F637-M641 HydrophobicContact CG-CG 4.36Å; F637-M641 HydrophobicContact CZ-CG 3.59Å; F637-M641 HydrophobicContact CZ-SD 4.1Å; F637-M641 VanDerWaalsContact O-CB 3.3Å; F637-M641 WeakPolarHBondContact O-CB 3.1Å; F637-M641 VanDerWaalsContact O-CG 3.31Å; F637-M641 WeakPolarHBondContact O-CG 3.45Å; F637-M641 PolarHBondContact O-N 2.95Å; F637-L1088 HydrophobicContact CD2-CD1 4.46Å; F637-L1088 HydrophobicContact CD2-CD2 3.61Å; F637-L1088 HydrophobicContact CD2-CG 4.46Å; F637-L1088 HydrophobicContact CE2-CD1 3.96Å; F637-L1088 HydrophobicContact CE2-CD2 3.67Å; F637-L1088 HydrophobicContact CE2-CG 4.38Å
638	S	68.8	Low	67.8	Low	6 Å²	6	29.9 Å²	29.9	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-39.7	-178.5	-54	0	0	0	0	111.6	S584 E634 V635 M641 L642	S584-S638 PolarHBondContact OG-OG 3.39Å; E634-S638 VanDerWaalsContact O-CB 3.25Å; E634-S638 WeakPolarHBondContact O-CB 3.19Å; E634-S638 PolarHBondContact O-N 3.36Å; E634-S638 PolarHBondContact O-OG 3.4Å; V635-S638 PolarHBondContact O-N 3.27Å; S638-M641 PolarHBondContact O-N 3.08Å; S638-L642 WeakPolarHBondContact O-CB 3.25Å; S638-L642 PolarHBondContact O-N 3.36Å
639	Y	71.9	Confident	67.8	Low	1 Å²	1	29.6 Å²	29.6	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-48.8	175.8	-180	-108.8	0	0	0	112.6	T573 F587 M609 N610 V613 Y614 V635 F637 M641 L642 Y643	T573-Y639 HydrophobicContact CG2-CE2 4.37Å; F587-Y639 HydrophobicContact CD1-CD2 4.29Å; F587-Y639 HydrophobicContact CD2-CD2 4.36Å; F587-Y639 AromaticContact CE1-CD2 3.68Å; F587-Y639 HydrophobicContact CE1-CD2 3.68Å; F587-Y639 HydrophobicContact CE1-CE2 4.33Å; F587-Y639 AromaticContact CE2-CD2 3.76Å; F587-Y639 HydrophobicContact CE2-CD2 3.76Å; F587-Y639 HydrophobicContact CE2-CG 4.11Å; F587-Y639 AromaticContact CZ-CD2 3.39Å; F587-Y639 HydrophobicContact CZ-CD2 3.39Å; F587-Y639 HydrophobicContact CZ-CE2 4.18Å; F587-Y639 HydrophobicContact CZ-CG 4.19Å; M609-Y639 VanDerWaalsContact CA-OH 3.31Å; M609-Y639 WeakPolarHBondContact CA-OH 3.29Å; M609-Y639 HydrophobicContact CB-CE2 4.24Å; M609-Y639 WeakPolarHBondContact CB-OH 3.22Å; M609-Y639 HydrophobicContact CG-CE2 3.91Å; M609-Y639 HydrophobicContact SD-CE2 4.26Å; N610-Y639 PolarHBondContact N-OH 3.19Å; N610-Y639 WeakPolarHBondContact O-CE1 3.12Å; N610-Y639 PolarHBondContact O-OH 3.5Å; V613-Y639 HydrophobicContact CB-CE1 4.4Å; Y614-Y639 AromaticContact CD2-CD1 3.74Å; Y614-Y639 HydrophobicContact CD2-CD1 3.74Å; Y614-Y639 AromaticContact CD2-CD2 3.89Å; Y614-Y639 HydrophobicContact CD2-CD2 3.89Å; Y614-Y639 HydrophobicContact CD2-CE1 4.05Å; Y614-Y639 HydrophobicContact CD2-CE2 4.18Å; Y614-Y639 AromaticContact CD2-CG 3.62Å; Y614-Y639 HydrophobicContact CD2-CG 3.62Å; Y614-Y639 HydrophobicContact CE2-CD2 4.12Å; Y614-Y639 HydrophobicContact CE2-CE2 4.28Å; Y614-Y639 HydrophobicContact CE2-CG 4.31Å; Y614-Y639 HydrophobicContact CG-CD1 4.5Å; V635-Y639 VanDerWaalsContact O-CB 3.28Å; V635-Y639 WeakPolarHBondContact O-CB 3.39Å; V635-Y639 PolarHBondContact O-N 2.98Å; F637-Y639 VanDerWaalsContact C-N 3.31Å; F637-Y639 PolarHBondContact O-N 3.35Å; Y639-M641 VanDerWaalsContact C-N 3.33Å; Y639-M641 PolarHBondContact O-N 3.45Å; Y639-L642 PolarHBondContact O-N 3.03Å; Y639-Y643 WeakPolarHBondContact O-CB 3.05Å; Y639-Y643 PolarHBondContact O-N 2.99Å
640	R	69.2	Low	67.6	Low	13 Å²	13	27.8 Å²	27.8	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-36.9	178.2	-81.9	166.5	174	-121.3	7.7	111.9	A636 F637 Y643 L644 S1083 V1084	A636-R640 VanDerWaalsContact O-CB 3.26Å; A636-R640 WeakPolarHBondContact O-CB 3.37Å; A636-R640 WeakPolarHBondContact O-CD 3.26Å; A636-R640 WeakPolarHBondContact O-CG 3.33Å; A636-R640 PolarHBondContact O-N 3Å; F637-R640 PolarHBondContact O-N 3.37Å; R640-Y643 WeakPolarHBondContact O-CB 3.21Å; R640-Y643 PolarHBondContact O-N 3.45Å; R640-L644 WeakPolarHBondContact O-CG 3.31Å; R640-L644 PolarHBondContact O-N 2.71Å; R640-S1083 PolarHBondContact NH1-OG 2.85Å; R640-S1083 VanDerWaalsContact NH1-OG 3.16Å; R640-V1084 HydrophobicContact CB-CG1 4.33Å; R640-V1084 HydrophobicContact CB-CG2 3.57Å; R640-V1084 HydrophobicContact CG-CG2 3.74Å
641	M	68.9	Low	67.3	Low	46 Å²	46	24.1 Å²	24.1	23%	0.227	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-43	173.6	-79.7	-54.1	-49.8	0	0	112.4	F637 S638 Y639 L644 N645 L1102	F637-M641 HydrophobicContact CD1-CG 4.2Å; F637-M641 HydrophobicContact CD2-CG 4.13Å; F637-M641 HydrophobicContact CE1-CG 3.82Å; F637-M641 HydrophobicContact CE2-CG 3.74Å; F637-M641 HydrophobicContact CE2-SD 4.12Å; F637-M641 HydrophobicContact CG-CG 4.36Å; F637-M641 HydrophobicContact CZ-CG 3.59Å; F637-M641 HydrophobicContact CZ-SD 4.1Å; F637-M641 VanDerWaalsContact O-CB 3.3Å; F637-M641 WeakPolarHBondContact O-CB 3.1Å; F637-M641 VanDerWaalsContact O-CG 3.31Å; F637-M641 WeakPolarHBondContact O-CG 3.45Å; F637-M641 PolarHBondContact O-N 2.95Å; S638-M641 PolarHBondContact O-N 3.08Å; Y639-M641 VanDerWaalsContact C-N 3.33Å; Y639-M641 PolarHBondContact O-N 3.45Å; M641-L644 PolarHBondContact O-N 3.03Å; M641-L644 HydrophobicContact SD-CD1 4.44Å; M641-N645 WeakPolarHBondContact O-CB 3.13Å; M641-N645 PolarHBondContact O-N 2.88Å; M641-L1102 HydrophobicContact CE-CD2 3.15Å; M641-L1102 HydrophobicContact SD-CD2 3.75Å
642	L	71	Confident	67.1	Low	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-47.5	173.1	172.7	61.2	0	0	0	111.1	F587 V590 A591 M609 S638 Y639 L644 N645 L646	F587-L642 HydrophobicContact CB-CB 4.37Å; F587-L642 HydrophobicContact CB-CD2 4.01Å; F587-L642 HydrophobicContact CD1-CD2 3.51Å; F587-L642 HydrophobicContact CE1-CD2 4.39Å; F587-L642 HydrophobicContact CG-CD2 4.1Å; V590-L642 HydrophobicContact CB-CD1 4.02Å; V590-L642 HydrophobicContact CB-CD2 4.01Å; V590-L642 HydrophobicContact CG1-CD1 3.75Å; V590-L642 HydrophobicContact CG1-CD2 4.04Å; A591-L642 HydrophobicContact CB-CD1 3.95Å; M609-L642 HydrophobicContact CE-CD2 3.35Å; M609-L642 HydrophobicContact CE-CG 3.79Å; M609-L642 HydrophobicContact SD-CD2 4.27Å; M609-L642 HydrophobicContact SD-CG 4.23Å; S638-L642 WeakPolarHBondContact O-CB 3.25Å; S638-L642 PolarHBondContact O-N 3.36Å; Y639-L642 PolarHBondContact O-N 3.03Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 3.24Å; L642-N645 PolarHBondContact O-N 3.44Å; L642-L646 HydrophobicContact CD1-CD1 4.08Å; L642-L646 HydrophobicContact CD1-CD2 4.36Å; L642-L646 HydrophobicContact CD1-CG 3.94Å; L642-L646 HydrophobicContact CG-CD1 4.12Å; L642-L646 HydrophobicContact CG-CG 4.41Å; L642-L646 WeakPolarHBondContact O-CG 3.38Å; L642-L646 PolarHBondContact O-N 2.95Å
643	Y	68.5	Low	66.5	Low	5 Å²	5	21.6 Å²	21.6	2%	0.02	11%	0.111	C	C	.	.	H	α-helix	trans	-54.8	-45	176.1	-174.9	-85.7	0	0	0	111.7	W606 M609 L611 Y639 R640 L647 S1076 S1080	W606-Y643 AromaticContact CD1-CD2 3.78Å; W606-Y643 AromaticContact CD1-CE2 3.37Å; W606-Y643 AromaticContact CD1-CZ 3.64Å; W606-Y643 AromaticContact NE1-CE1 3.67Å; W606-Y643 AromaticContact NE1-CE2 3.2Å; W606-Y643 AromaticContact NE1-CZ 3Å; W606-Y643 PolarHBondContact NE1-OH 3.18Å; M609-Y643 HydrophobicContact CB-CD2 3.76Å; M609-Y643 HydrophobicContact CB-CE2 4.21Å; M609-Y643 HydrophobicContact SD-CD2 4.43Å; L611-Y643 HydrophobicContact CD1-CE1 4.1Å; L611-Y643 HydrophobicContact CD2-CD1 3.64Å; L611-Y643 HydrophobicContact CD2-CD2 4.27Å; L611-Y643 HydrophobicContact CD2-CE1 3.67Å; L611-Y643 HydrophobicContact CD2-CE2 4.3Å; L611-Y643 HydrophobicContact CD2-CG 3.95Å; L611-Y643 HydrophobicContact CG-CD1 4.37Å; L611-Y643 HydrophobicContact CG-CD2 4.43Å; L611-Y643 HydrophobicContact CG-CE1 4Å; L611-Y643 HydrophobicContact CG-CE2 4.06Å; Y639-Y643 WeakPolarHBondContact O-CB 3.05Å; Y639-Y643 PolarHBondContact O-N 2.99Å; R640-Y643 WeakPolarHBondContact O-CB 3.21Å; R640-Y643 PolarHBondContact O-N 3.45Å; Y643-L647 HydrophobicContact CD1-CD1 3.56Å; Y643-L647 HydrophobicContact CE1-CD1 3.24Å; Y643-L647 HydrophobicContact CE1-CG 4.35Å; Y643-L647 WeakPolarHBondContact O-CD1 3.49Å; Y643-L647 WeakPolarHBondContact O-CG 3.17Å; Y643-L647 PolarHBondContact O-N 3.32Å; Y643-S1076 PolarHBondContact OH-OG 3.45Å; Y643-S1080 WeakPolarHBondContact CE1-OG 3.25Å
644	L	63.5	Low	66.1	Low	11 Å²	11	21 Å²	21	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.4	-71.5	175	0	0	0	112.9	R640 M641 L642 L647 C648 F1081 V1084	R640-L644 WeakPolarHBondContact O-CG 3.31Å; R640-L644 PolarHBondContact O-N 2.71Å; M641-L644 PolarHBondContact O-N 3.03Å; M641-L644 HydrophobicContact SD-CD1 4.44Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 3.24Å; L644-L647 PolarHBondContact O-N 3.17Å; L644-C648 PolarHBondContact O-N 3.14Å; L644-C648 PolarHBondContact O-SG 3.13Å; L644-F1081 HydrophobicContact CD1-CD2 4.02Å; L644-F1081 HydrophobicContact CD2-CB 3.76Å; L644-F1081 HydrophobicContact CD2-CD2 3.96Å; L644-F1081 HydrophobicContact CD2-CG 4.37Å; L644-V1084 HydrophobicContact CD1-CB 4.19Å; L644-V1084 HydrophobicContact CD1-CG1 4.02Å; L644-V1084 HydrophobicContact CD1-CG2 4.2Å
645	N	66.4	Low	65.6	Low	43 Å²	43	17.5 Å²	17.5	23%	0.23	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-47.3	178.9	-171.6	7.8	0	0	0	111	A591 M641 L642 L647 C648 Q649	A591-N645 PolarHBondContact O-ND2 3.13Å; M641-N645 WeakPolarHBondContact O-CB 3.13Å; M641-N645 PolarHBondContact O-N 2.88Å; L642-N645 PolarHBondContact O-N 3.44Å; N645-L647 VanDerWaalsContact C-N 3.26Å; N645-L647 PolarHBondContact O-N 3.21Å; N645-C648 WeakPolarHBondContact O-CB 3.2Å; N645-C648 PolarHBondContact O-N 3.44Å; N645-Q649 WeakPolarHBondContact O-CG 3.43Å; N645-Q649 PolarHBondContact O-N 3.25Å; N645-Q649 PolarHBondContact OD1-NE2 2.99Å
646	L	66.2	Low	65.1	Low	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-55.7	-41.8	176.8	-69.2	173.3	0	0	0	112.2	A594 L597 L602 L605 M609 L642 Q649 L650	A594-L646 HydrophobicContact CB-CD2 4.02Å; L597-L646 HydrophobicContact CD1-CD2 4.27Å; L602-L646 HydrophobicContact CD2-CB 4.44Å; L602-L646 HydrophobicContact CD2-CD2 3.43Å; L602-L646 VanDerWaalsContact CD2-CD2 3.43Å; L605-L646 HydrophobicContact CB-CD1 3.85Å; L605-L646 HydrophobicContact CB-CD2 4.41Å; L605-L646 HydrophobicContact CD1-CD2 4.14Å; M609-L646 HydrophobicContact CE-CD1 3.68Å; M609-L646 HydrophobicContact SD-CD1 3.74Å; L642-L646 HydrophobicContact CD1-CD1 4.08Å; L642-L646 HydrophobicContact CD1-CD2 4.36Å; L642-L646 HydrophobicContact CD1-CG 3.94Å; L642-L646 HydrophobicContact CG-CD1 4.12Å; L642-L646 HydrophobicContact CG-CG 4.41Å; L642-L646 WeakPolarHBondContact O-CG 3.38Å; L642-L646 PolarHBondContact O-N 2.95Å; L646-Q649 PolarHBondContact O-N 3.43Å; L646-L650 WeakPolarHBondContact O-CB 3.49Å; L646-L650 PolarHBondContact O-N 3.14Å
647	L	62.8	Low	64.5	Low	10 Å²	10	24.2 Å²	24.2	5%	0.052	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-40.3	175.5	-78.9	166.4	0	0	0	113.1	W606 Y643 L644 N645 L650 D651 I1073 A1077	W606-L647 HydrophobicContact CD2-CD2 4.19Å; W606-L647 HydrophobicContact CG-CD2 4.37Å; W606-L647 HydrophobicContact CZ2-CD2 4.16Å; Y643-L647 HydrophobicContact CD1-CD1 3.56Å; Y643-L647 HydrophobicContact CE1-CD1 3.24Å; Y643-L647 HydrophobicContact CE1-CG 4.35Å; Y643-L647 WeakPolarHBondContact O-CD1 3.49Å; Y643-L647 WeakPolarHBondContact O-CG 3.17Å; Y643-L647 PolarHBondContact O-N 3.32Å; L644-L647 PolarHBondContact O-N 3.17Å; N645-L647 VanDerWaalsContact C-N 3.26Å; N645-L647 PolarHBondContact O-N 3.21Å; L647-L650 PolarHBondContact O-N 3.33Å; L647-D651 PolarHBondContact O-N 2.65Å; L647-D651 VanDerWaalsContact O-N 3.08Å; L647-I1073 HydrophobicContact CD2-CG2 3.52Å; L647-A1077 HydrophobicContact CB-CB 4.41Å; L647-A1077 HydrophobicContact CD1-CB 3.38Å; L647-A1077 HydrophobicContact CD2-CB 3.91Å; L647-A1077 HydrophobicContact CG-CB 4.11Å
648	C	62.2	Low	64.1	Low	14 Å²	14	22.2 Å²	22.2	10%	0.095	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-44	176.5	-58	0	0	0	0	111.3	L644 N645 L650 D651 N652 R1112	L644-C648 PolarHBondContact O-N 3.14Å; L644-C648 PolarHBondContact O-SG 3.13Å; N645-C648 WeakPolarHBondContact O-CB 3.2Å; N645-C648 PolarHBondContact O-N 3.44Å; C648-L650 VanDerWaalsContact C-N 3.31Å; C648-L650 PolarHBondContact O-N 3.07Å; C648-D651 PolarHBondContact O-N 3.35Å; C648-N652 PolarHBondContact O-N 2.92Å; C648-N652 PolarHBondContact O-ND2 2.73Å; C648-N652 PolarHBondContact O-OD1 3.24Å; C648-R1112 VanDerWaalsContact SG-CZ 3.52Å; C648-R1112 PolarHBondContact SG-NH1 2.99Å; C648-R1112 PolarHBondContact SG-NH2 2.81Å
649	Q	64.3	Low	63.8	Low	43 Å²	43	26.9 Å²	26.9	20%	0.201	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-37	179.4	-61.9	-58.9	-19.9	0	0	111.8	A594 L602 N645 L646 N652 A653	A594-Q649 HydrophobicContact CB-CG 3.99Å; L602-Q649 HydrophobicContact CD1-CB 3.47Å; L602-Q649 VanDerWaalsContact CD1-CB 3.47Å; L602-Q649 HydrophobicContact CD2-CB 3.8Å; L602-Q649 HydrophobicContact CD2-CG 4.49Å; L602-Q649 HydrophobicContact CG-CB 4.31Å; N645-Q649 WeakPolarHBondContact O-CG 3.43Å; N645-Q649 PolarHBondContact O-N 3.25Å; N645-Q649 PolarHBondContact OD1-NE2 2.99Å; L646-Q649 PolarHBondContact O-N 3.43Å; Q649-N652 WeakPolarHBondContact O-CB 3.31Å; Q649-N652 PolarHBondContact O-N 2.77Å; Q649-A653 PolarHBondContact O-N 3.43Å; Q649-A653 VanDerWaalsContact O-N 3.11Å
650	L	61.3	Low	63.3	Low	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-43.7	175.6	-170.6	123.8	0	0	0	111.1	L602 E603 L646 L647 C648 N652 A653 I654 I1073	L602-L650 HydrophobicContact CB-CB 4.43Å; L602-L650 HydrophobicContact CB-CD1 4.16Å; E603-L650 HydrophobicContact CB-CD1 3.75Å; E603-L650 HydrophobicContact CG-CD1 4.41Å; L646-L650 WeakPolarHBondContact O-CB 3.49Å; L646-L650 PolarHBondContact O-N 3.14Å; L647-L650 PolarHBondContact O-N 3.33Å; C648-L650 VanDerWaalsContact C-N 3.31Å; C648-L650 PolarHBondContact O-N 3.07Å; L650-N652 VanDerWaalsContact C-N 3.31Å; L650-N652 PolarHBondContact O-N 2.83Å; L650-A653 PolarHBondContact O-N 2.67Å; L650-I654 HydrophobicContact CD2-CD1 3.76Å; L650-I654 HydrophobicContact CG-CD1 4.26Å; L650-I654 WeakPolarHBondContact O-CD1 3.4Å; L650-I654 VanDerWaalsContact O-CG1 3.24Å; L650-I654 WeakPolarHBondContact O-CG1 3.32Å; L650-I654 PolarHBondContact O-N 2.66Å; L650-I1073 HydrophobicContact CD2-CD1 4.41Å; L650-I1073 HydrophobicContact CD2-CG2 4.12Å
651	D	60.8	Low	62.9	Low	35 Å²	35	34 Å²	34	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-32.7	176.4	-164.4	41.2	0	0	0	112.4	L647 C648 I654 S655 R671	L647-D651 PolarHBondContact O-N 2.65Å; L647-D651 VanDerWaalsContact O-N 3.08Å; C648-D651 PolarHBondContact O-N 3.35Å; D651-I654 PolarHBondContact O-N 3.42Å; D651-S655 VanDerWaalsContact O-CB 3.28Å; D651-S655 WeakPolarHBondContact O-CB 3.41Å; D651-S655 PolarHBondContact O-N 2.96Å; D651-S655 PolarHBondContact O-OG 3.16Å; D651-R671 IonicContact OD1-NH2 2.57Å; D651-R671 PolarHBondContact OD1-NH2 3.15Å
652	N	61.1	Low	62.7	Low	38 Å²	38	43 Å²	43	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-49.7	174.4	-69.2	-11.4	0	0	0	112.5	C648 Q649 L650 I654 S655 E656 S1106	C648-N652 PolarHBondContact O-N 2.92Å; C648-N652 PolarHBondContact O-ND2 2.73Å; C648-N652 PolarHBondContact O-OD1 3.24Å; Q649-N652 WeakPolarHBondContact O-CB 3.31Å; Q649-N652 PolarHBondContact O-N 2.77Å; L650-N652 VanDerWaalsContact C-N 3.31Å; L650-N652 PolarHBondContact O-N 2.83Å; N652-I654 VanDerWaalsContact C-N 3.27Å; N652-I654 PolarHBondContact O-N 3.19Å; N652-S655 CarbonylContact O-C 3.55Å; N652-S655 PolarHBondContact O-N 3.35Å; N652-S655 VanDerWaalsContact O-N 3.12Å; N652-E656 WeakPolarHBondContact O-CB 3.28Å; N652-E656 PolarHBondContact O-N 3.47Å; N652-S1106 WeakPolarHBondContact ND2-CB 3.37Å; N652-S1106 PolarHBondContact ND2-OG 3.23Å; N652-S1106 WeakPolarHBondContact OD1-CB 3.47Å; N652-S1106 PolarHBondContact OD1-OG 3.13Å
653	A	59.6	Low	62.4	Low	27 Å²	27	43.5 Å²	43.5	22%	0.223	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-37.1	-179.1	0	0	0	0	0	112	P599 Q649 L650 S657	P599-A653 HydrophobicContact CB-CB 4.11Å; P599-A653 HydrophobicContact CG-CB 3.33Å; Q649-A653 PolarHBondContact O-N 3.43Å; Q649-A653 VanDerWaalsContact O-N 3.11Å; L650-A653 PolarHBondContact O-N 2.67Å; A653-S657 PolarHBondContact O-N 3.39Å; A653-S657 VanDerWaalsContact O-N 3.15Å
654	I	60.1	Low	62.1	Low	8 Å²	8	45.4 Å²	45.4	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-38.5	175.4	-56.6	164.3	0	0	0	110.1	L650 D651 N652 S657 C658 R671 W675 L721 Y737 A738	L650-I654 HydrophobicContact CD2-CD1 3.76Å; L650-I654 HydrophobicContact CG-CD1 4.26Å; L650-I654 WeakPolarHBondContact O-CD1 3.4Å; L650-I654 VanDerWaalsContact O-CG1 3.24Å; L650-I654 WeakPolarHBondContact O-CG1 3.32Å; L650-I654 PolarHBondContact O-N 2.66Å; D651-I654 PolarHBondContact O-N 3.42Å; N652-I654 VanDerWaalsContact C-N 3.27Å; N652-I654 PolarHBondContact O-N 3.19Å; I654-S657 WeakPolarHBondContact O-CB 3.2Å; I654-S657 PolarHBondContact O-N 3.43Å; I654-C658 PolarHBondContact O-N 3.34Å; I654-C658 VanDerWaalsContact O-N 3.14Å; I654-C658 PolarHBondContact O-SG 2.85Å; I654-R671 PolarHBondContact O-NH1 3.22Å; I654-W675 HydrophobicContact CB-CH2 4.4Å; I654-W675 HydrophobicContact CD1-CH2 3.58Å; I654-W675 HydrophobicContact CD1-CZ2 4.36Å; I654-W675 HydrophobicContact CD1-CZ3 4.14Å; I654-W675 HydrophobicContact CG2-CH2 3.9Å; I654-W675 HydrophobicContact CG2-CZ2 4Å; I654-L721 HydrophobicContact CD1-CD1 4.45Å; I654-L721 HydrophobicContact CG1-CD1 4.16Å; I654-Y737 HydrophobicContact CD1-CD1 4.5Å; I654-Y737 HydrophobicContact CD1-CG 4.49Å; I654-A738 HydrophobicContact CG2-CB 4.27Å
655	S	59.5	Low	62	Low	12 Å²	12	50.5 Å²	50.5	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-37.4	177.4	-56.6	0	0	0	0	112.8	D651 N652 S657 C658 H659 R671	D651-S655 VanDerWaalsContact O-CB 3.28Å; D651-S655 WeakPolarHBondContact O-CB 3.41Å; D651-S655 PolarHBondContact O-N 2.96Å; D651-S655 PolarHBondContact O-OG 3.16Å; N652-S655 CarbonylContact O-C 3.55Å; N652-S655 PolarHBondContact O-N 3.35Å; N652-S655 VanDerWaalsContact O-N 3.12Å; S655-S657 VanDerWaalsContact C-N 3.34Å; S655-S657 PolarHBondContact O-N 3.08Å; S655-C658 WeakPolarHBondContact O-CB 3.33Å; S655-C658 PolarHBondContact O-N 2.65Å; S655-H659 PolarHBondContact O-CD2 3.24Å; S655-H659 VanDerWaalsContact O-CD2 3.22Å; S655-H659 PolarHBondContact O-N 3.06Å; S655-R671 PolarHBondContact OG-NH2 2.73Å
656	E	61.9	Low	61.8	Low	117 Å²	117	55 Å²	55	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-41.7	173.3	-170.1	175	-175.9	0	0	111.2	N652 C658 H659 Q660	N652-E656 WeakPolarHBondContact O-CB 3.28Å; N652-E656 PolarHBondContact O-N 3.47Å; E656-C658 VanDerWaalsContact C-N 3.34Å; E656-C658 PolarHBondContact O-N 3.07Å; E656-H659 PolarHBondContact O-N 3.37Å; E656-Q660 WeakPolarHBondContact O-CG 3.33Å; E656-Q660 PolarHBondContact O-N 3.16Å
657	S	57.8	Low	61.8	Low	30 Å²	30	55.2 Å²	55.2	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-42.5	172	-177.1	0	0	0	0	112.3	A653 I654 S655 Q660 A661	A653-S657 PolarHBondContact O-N 3.39Å; A653-S657 VanDerWaalsContact O-N 3.15Å; I654-S657 WeakPolarHBondContact O-CB 3.2Å; I654-S657 PolarHBondContact O-N 3.43Å; S655-S657 VanDerWaalsContact C-N 3.34Å; S655-S657 PolarHBondContact O-N 3.08Å; S657-Q660 PolarHBondContact O-N 2.81Å; S657-A661 PolarHBondContact O-N 2.81Å
658	C	59.8	Low	61.8	Low	1 Å²	1	55.1 Å²	55.1	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-39.5	174.2	-68.5	0	0	0	0	113.1	I654 S655 E656 A661 R662 I663 L668 R671 A738 M740	I654-C658 PolarHBondContact O-N 3.34Å; I654-C658 VanDerWaalsContact O-N 3.14Å; I654-C658 PolarHBondContact O-SG 2.85Å; S655-C658 WeakPolarHBondContact O-CB 3.33Å; S655-C658 PolarHBondContact O-N 2.65Å; E656-C658 VanDerWaalsContact C-N 3.34Å; E656-C658 PolarHBondContact O-N 3.07Å; C658-A661 CarbonylContact O-C 3.51Å; C658-A661 PolarHBondContact O-N 2.8Å; C658-R662 PolarHBondContact O-N 2.85Å; C658-I663 PolarHBondContact O-N 3.41Å; C658-I663 VanDerWaalsContact O-N 3.13Å; C658-L668 HydrophobicContact CB-CD2 3.57Å; C658-R671 PolarHBondContact SG-NH1 2.97Å; C658-A738 WeakPolarHBondContact SG-CB 3.21Å; C658-M740 HydrophobicContact CB-CE 4.46Å
659	H	63	Low	61.7	Low	104 Å²	104	58.1 Å²	58.1	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-41.4	175.3	-80.7	-62.8	0	0	0	111.8	S655 E656 A661 R662	S655-H659 PolarHBondContact O-CD2 3.24Å; S655-H659 VanDerWaalsContact O-CD2 3.22Å; S655-H659 PolarHBondContact O-N 3.06Å; E656-H659 PolarHBondContact O-N 3.37Å; H659-A661 PolarHBondContact O-N 2.82Å; H659-R662 WeakPolarHBondContact O-CA 3.33Å; H659-R662 PolarHBondContact O-N 3.08Å
660	Q	61.2	Low	61.7	Low	124 Å²	124	60 Å²	60	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-59.6	-35.8	173.4	-72.6	176.7	5.1	0	0	111.7	E656 S657 R662	E656-Q660 WeakPolarHBondContact O-CG 3.33Å; E656-Q660 PolarHBondContact O-N 3.16Å; S657-Q660 PolarHBondContact O-N 2.81Å; Q660-R662 PolarHBondContact O-N 2.99Å
661	A	60.9	Low	61.9	Low	40 Å²	40	59.9 Å²	59.9	33%	0.331	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	3.5	173.5	0	0	0	0	0	114.7	S657 C658 H659 I663 M740	S657-A661 PolarHBondContact O-N 2.81Å; C658-A661 CarbonylContact O-C 3.51Å; C658-A661 PolarHBondContact O-N 2.8Å; H659-A661 PolarHBondContact O-N 2.82Å; A661-I663 VanDerWaalsContact C-N 3.34Å; A661-I663 HydrophobicContact CB-CD1 3.83Å; A661-I663 HydrophobicContact CB-CG1 3.94Å; A661-I663 PolarHBondContact O-N 2.81Å; A661-M740 HydrophobicContact CB-CE 3.62Å; A661-M740 HydrophobicContact CB-SD 3.98Å
662	R	63.8	Low	61.9	Low	234 Å²	234	59.6 Å²	59.6	88%	0.883	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	36.9	-178.9	-55.5	-179.4	179	-176.9	-0.8	114.3	C658 H659 Q660	C658-R662 PolarHBondContact O-N 2.85Å; H659-R662 WeakPolarHBondContact O-CA 3.33Å; H659-R662 PolarHBondContact O-N 3.08Å; Q660-R662 PolarHBondContact O-N 2.99Å
663	I	65.7	Low	61.7	Low	10 Å²	10	61.2 Å²	61.2	5%	0.051	31%	0.305	C	S	.	.			trans	-91.2	140.8	179.8	-56.8	171.8	0	0	0	110.4	C658 A661 Y667 M740 P768 I773	C658-I663 PolarHBondContact O-N 3.41Å; C658-I663 VanDerWaalsContact O-N 3.13Å; A661-I663 VanDerWaalsContact C-N 3.34Å; A661-I663 HydrophobicContact CB-CD1 3.83Å; A661-I663 HydrophobicContact CB-CG1 3.94Å; A661-I663 PolarHBondContact O-N 2.81Å; I663-Y667 HydrophobicContact CD1-CD1 4.47Å; I663-Y667 HydrophobicContact CD1-CE1 4.1Å; I663-Y667 VanDerWaalsContact CG2-CB 3.45Å; I663-Y667 HydrophobicContact CG2-CD1 3.43Å; I663-Y667 VanDerWaalsContact CG2-CD1 3.43Å; I663-Y667 HydrophobicContact CG2-CD2 4.08Å; I663-Y667 HydrophobicContact CG2-CE1 4.07Å; I663-Y667 HydrophobicContact CG2-CG 3.41Å; I663-Y667 VanDerWaalsContact CG2-CG 3.41Å; I663-M740 HydrophobicContact CD1-CE 3.25Å; I663-M740 HydrophobicContact CD1-CG 4.39Å; I663-M740 HydrophobicContact CD1-SD 3.82Å; I663-P768 HydrophobicContact CD1-CG 3.84Å; I663-P768 HydrophobicContact CG1-CG 4.25Å; I663-I773 HydrophobicContact CG2-CG2 4.47Å
664	G	62.7	Low	61.9	Low	46 Å²	46	60.2 Å²	60.2	47%	0.474	30%	0.297	S	S	.	.			trans	-76.3	160	-178.9	0	0	0	0	0	114.7	Q666 Y667	G664-Q666 VanDerWaalsContact C-N 3.33Å; G664-Q666 PolarHBondContact O-N 3.01Å; G664-Y667 WeakPolarHBondContact O-CB 3.38Å; G664-Y667 PolarHBondContact O-N 3.08Å
665	E	60.2	Low	62	Low	118 Å²	118	60.3 Å²	60.3	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-59.7	-34.7	-175.1	-70.3	-176.5	158.9	0	0	114.5	Y667 L668 E669 F1107	E665-Y667 PolarHBondContact O-N 2.89Å; E665-L668 VanDerWaalsContact O-CB 3.31Å; E665-L668 WeakPolarHBondContact O-CB 3.28Å; E665-L668 PolarHBondContact O-N 3.11Å; E665-E669 PolarHBondContact O-N 3.11Å; E665-F1107 HydrophobicContact CG-CZ 4.27Å
666	Q	61.9	Low	61.8	Low	138 Å²	138	60.8 Å²	60.8	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-31.1	179.2	-68.2	-178.5	-7.6	0	0	113.1	G664 L668 R670	G664-Q666 VanDerWaalsContact C-N 3.33Å; G664-Q666 PolarHBondContact O-N 3.01Å; Q666-L668 VanDerWaalsContact C-N 3.35Å; Q666-R670 WeakPolarHBondContact O-CG 3.45Å; Q666-R670 PolarHBondContact O-N 2.88Å
667	Y	66.8	Low	61.5	Low	5 Å²	5	60.8 Å²	60.8	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-36.4	175.4	-179.5	-89.4	0	0	0	111.5	I663 G664 E665 R670 R671 A738 G739 I773 F775 P776	I663-Y667 HydrophobicContact CD1-CD1 4.47Å; I663-Y667 HydrophobicContact CD1-CE1 4.1Å; I663-Y667 VanDerWaalsContact CG2-CB 3.45Å; I663-Y667 HydrophobicContact CG2-CD1 3.43Å; I663-Y667 VanDerWaalsContact CG2-CD1 3.43Å; I663-Y667 HydrophobicContact CG2-CD2 4.08Å; I663-Y667 HydrophobicContact CG2-CE1 4.07Å; I663-Y667 HydrophobicContact CG2-CG 3.41Å; I663-Y667 VanDerWaalsContact CG2-CG 3.41Å; G664-Y667 WeakPolarHBondContact O-CB 3.38Å; G664-Y667 PolarHBondContact O-N 3.08Å; E665-Y667 PolarHBondContact O-N 2.89Å; Y667-R670 PolarHBondContact O-N 2.75Å; Y667-R671 VanDerWaalsContact O-CB 3.28Å; Y667-R671 WeakPolarHBondContact O-CB 3.26Å; Y667-R671 PolarHBondContact O-N 2.85Å; Y667-A738 WeakPolarHBondContact CE1-O 3.24Å; Y667-A738 PolarHBondContact OH-O 3.2Å; Y667-G739 PolarHBondContact OH-O 3.06Å; Y667-I773 WeakPolarHBondContact CD2-O 3.45Å; Y667-F775 VanDerWaalsContact CE2-C 3.5Å; Y667-P776 HydrophobicContact CD2-CB 4.45Å; Y667-P776 HydrophobicContact CE1-CB 4.14Å; Y667-P776 HydrophobicContact CE2-CB 3.81Å; Y667-P776 HydrophobicContact CE2-CG 4.41Å; Y667-P776 VanDerWaalsContact CE2-N 3.32Å
668	L	63.4	Low	61.8	Low	7 Å²	7	60.1 Å²	60.1	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-40.7	178.5	-63	173.8	0	0	0	111.5	C658 E665 Q666 R671 V672	C658-L668 HydrophobicContact CB-CD2 3.57Å; E665-L668 VanDerWaalsContact O-CB 3.31Å; E665-L668 WeakPolarHBondContact O-CB 3.28Å; E665-L668 PolarHBondContact O-N 3.11Å; Q666-L668 VanDerWaalsContact C-N 3.35Å; L668-R671 WeakPolarHBondContact O-CB 3.48Å; L668-R671 PolarHBondContact O-N 3.2Å; L668-V672 WeakPolarHBondContact O-CG2 3.26Å; L668-V672 PolarHBondContact O-N 2.79Å
669	E	59.8	Low	62	Low	78 Å²	78	63.5 Å²	63.5	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-48.8	175.9	-66.5	-172.1	147.2	0	0	111.3	E665 R671 V672	E665-E669 PolarHBondContact O-N 3.11Å; E669-R671 PolarHBondContact O-N 3.13Å; E669-V672 WeakPolarHBondContact O-CB 3.43Å; E669-V672 PolarHBondContact O-N 2.98Å
670	R	64.2	Low	62.4	Low	83 Å²	83	59.2 Å²	59.2	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-64	-27.1	178.6	-69.4	173.4	175.3	178.6	-0.1	113.2	Q666 Y667 C674 E774 P776	Q666-R670 WeakPolarHBondContact O-CG 3.45Å; Q666-R670 PolarHBondContact O-N 2.88Å; Y667-R670 PolarHBondContact O-N 2.75Å; R670-C674 WeakPolarHBondContact O-CB 3.28Å; R670-C674 PolarHBondContact O-N 3.29Å; R670-E774 VanDerWaalsContact CD-O 3.29Å; R670-E774 WeakPolarHBondContact CD-O 3.34Å; R670-E774 PolarHBondContact NH1-O 3.18Å; R670-P776 HydrophobicContact CB-CG 4.32Å
671	R	66.2	Low	63.3	Low	2 Å²	2	55.8 Å²	55.8	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-44	175.8	178.9	-170.2	79.2	-178.1	2.2	111.7	D651 I654 S655 C658 Y667 L668 E669 D673 C674 W675 A738 P776	D651-R671 IonicContact OD1-NH2 2.57Å; D651-R671 PolarHBondContact OD1-NH2 3.15Å; I654-R671 PolarHBondContact O-NH1 3.22Å; S655-R671 PolarHBondContact OG-NH2 2.73Å; C658-R671 PolarHBondContact SG-NH1 2.97Å; Y667-R671 VanDerWaalsContact O-CB 3.28Å; Y667-R671 WeakPolarHBondContact O-CB 3.26Å; Y667-R671 PolarHBondContact O-N 2.85Å; L668-R671 WeakPolarHBondContact O-CB 3.48Å; L668-R671 PolarHBondContact O-N 3.2Å; E669-R671 PolarHBondContact O-N 3.13Å; R671-D673 VanDerWaalsContact C-N 3.34Å; R671-D673 PolarHBondContact O-N 3.31Å; R671-C674 WeakPolarHBondContact O-CB 3.48Å; R671-C674 PolarHBondContact O-N 3.37Å; R671-W675 VanDerWaalsContact CD-CZ2 3.42Å; R671-W675 HydrophobicContact CG-CD2 4.47Å; R671-W675 HydrophobicContact CG-CH2 4.34Å; R671-W675 HydrophobicContact CG-CZ2 3.47Å; R671-W675 VanDerWaalsContact CG-CZ2 3.47Å; R671-W675 PolarHBondContact O-N 3.27Å; R671-W675 VanDerWaalsContact O-N 3.07Å; R671-A738 WeakPolarHBondContact CD-O 3.18Å; R671-P776 VanDerWaalsContact CA-CG 3.49Å; R671-P776 HydrophobicContact CB-CB 4.38Å; R671-P776 HydrophobicContact CB-CG 4Å
672	V	59.9	Low	64.2	Low	30 Å²	30	54 Å²	54	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-43.4	-179.2	173	0	0	0	0	110.9	L668 E669 W675 C676 V1074	L668-V672 WeakPolarHBondContact O-CG2 3.26Å; L668-V672 PolarHBondContact O-N 2.79Å; E669-V672 WeakPolarHBondContact O-CB 3.43Å; E669-V672 PolarHBondContact O-N 2.98Å; V672-W675 PolarHBondContact O-N 3.3Å; V672-C676 PolarHBondContact O-SG 2.98Å; V672-C676 VanDerWaalsContact O-SG 3.36Å; V672-V1074 HydrophobicContact CG1-CB 4.38Å; V672-V1074 HydrophobicContact CG1-CG1 3.29Å; V672-V1074 HydrophobicContact CG1-CG2 4.25Å
673	D	57	Low	65.4	Low	71 Å²	71	43.5 Å²	43.5	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-42.4	175.9	-64.6	-26.9	0	0	0	111.5	R671 W675 C676	R671-D673 VanDerWaalsContact C-N 3.34Å; R671-D673 PolarHBondContact O-N 3.31Å; D673-W675 VanDerWaalsContact C-N 3.29Å; D673-W675 PolarHBondContact O-N 3.1Å; D673-C676 VanDerWaalsContact O-CB 3.32Å; D673-C676 WeakPolarHBondContact O-CB 3.47Å; D673-C676 PolarHBondContact O-N 2.94Å; D673-C676 VanDerWaalsContact O-N 3.08Å
674	C	64.4	Low	66.4	Low	6 Å²	6	43.5 Å²	43.5	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-37.8	177.1	-175.1	0	0	0	0	113.3	R670 R671 C676 D677 T678 P776 K778 A792	R670-C674 WeakPolarHBondContact O-CB 3.28Å; R670-C674 PolarHBondContact O-N 3.29Å; R671-C674 WeakPolarHBondContact O-CB 3.48Å; R671-C674 PolarHBondContact O-N 3.37Å; C674-C676 VanDerWaalsContact C-N 3.29Å; C674-C676 PolarHBondContact O-N 2.94Å; C674-D677 PolarHBondContact O-N 3.31Å; C674-T678 WeakPolarHBondContact O-CG2 3.37Å; C674-T678 PolarHBondContact O-OG1 3.42Å; C674-T678 VanDerWaalsContact O-OG1 3.09Å; C674-P776 HydrophobicContact CB-CG 4.2Å; C674-K778 VanDerWaalsContact SG-CA 3.59Å; C674-K778 VanDerWaalsContact SG-CB 3.6Å; C674-A792 HydrophobicContact CB-CB 3.8Å
675	W	61.9	Low	67.5	Low	11 Å²	11	42.2 Å²	42.2	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-27.3	178.4	-68	-3.4	0	0	0	113.4	I654 R671 V672 D673 D677 R723 Y737 V1074	I654-W675 HydrophobicContact CB-CH2 4.4Å; I654-W675 HydrophobicContact CD1-CH2 3.58Å; I654-W675 HydrophobicContact CD1-CZ2 4.36Å; I654-W675 HydrophobicContact CD1-CZ3 4.14Å; I654-W675 HydrophobicContact CG2-CH2 3.9Å; I654-W675 HydrophobicContact CG2-CZ2 4Å; R671-W675 VanDerWaalsContact CD-CZ2 3.42Å; R671-W675 HydrophobicContact CG-CD2 4.47Å; R671-W675 HydrophobicContact CG-CH2 4.34Å; R671-W675 HydrophobicContact CG-CZ2 3.47Å; R671-W675 VanDerWaalsContact CG-CZ2 3.47Å; R671-W675 PolarHBondContact O-N 3.27Å; R671-W675 VanDerWaalsContact O-N 3.07Å; V672-W675 PolarHBondContact O-N 3.3Å; D673-W675 VanDerWaalsContact C-N 3.29Å; D673-W675 PolarHBondContact O-N 3.1Å; W675-D677 PolarHBondContact O-N 3.23Å; W675-R723 PolarHBondContact O-NH2 2.84Å; W675-Y737 HydrophobicContact CZ2-CD1 4.44Å; W675-Y737 WeakPolarHBondContact CZ2-O 3.07Å; W675-Y737 PolarHBondContact NE1-O 3.35Å; W675-V1074 HydrophobicContact CB-CG2 4Å; W675-V1074 HydrophobicContact CD2-CG2 4.21Å; W675-V1074 HydrophobicContact CE3-CG2 3.36Å; W675-V1074 HydrophobicContact CZ3-CG2 4.06Å
676	C	54.4	Low	68.6	Low	21 Å²	21	37 Å²	37	14%	0.142	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-29.9	179.7	-70.4	0	0	0	0	112.2	V672 D673 C674 P1072 L1075	V672-C676 PolarHBondContact O-SG 2.98Å; V672-C676 VanDerWaalsContact O-SG 3.36Å; D673-C676 VanDerWaalsContact O-CB 3.32Å; D673-C676 WeakPolarHBondContact O-CB 3.47Å; D673-C676 PolarHBondContact O-N 2.94Å; D673-C676 VanDerWaalsContact O-N 3.08Å; C674-C676 VanDerWaalsContact C-N 3.29Å; C674-C676 PolarHBondContact O-N 2.94Å; C676-P1072 WeakPolarHBondContact O-CG 3.18Å; C676-L1075 HydrophobicContact CB-CD1 3.49Å; C676-L1075 VanDerWaalsContact CB-CD1 3.49Å; C676-L1075 HydrophobicContact CB-CG 4.21Å
677	D	57.5	Low	69.4	Low	117 Å²	117	32.1 Å²	32.1	63%	0.626	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.1	-172.1	-65.9	-18.7	0	0	0	114.4	C674 W675	C674-D677 PolarHBondContact O-N 3.31Å; W675-D677 PolarHBondContact O-N 3.23Å
678	T	62.4	Low	69.8	Low	16 Å²	16	33.6 Å²	33.6	10%	0.098	18%	0.184	C	C	.	.			trans	-117.6	129.9	-173.3	49.3	0	0	0	0	113.5	C674 R723 K778	C674-T678 WeakPolarHBondContact O-CG2 3.37Å; C674-T678 PolarHBondContact O-OG1 3.42Å; C674-T678 VanDerWaalsContact O-OG1 3.09Å; T678-R723 PolarHBondContact O-NH2 3.45Å; T678-R723 PolarHBondContact OG1-NE 2.8Å; T678-R723 PolarHBondContact OG1-NH2 3.4Å; T678-K778 HydrophobicContact CG2-CB 4.24Å; T678-K778 HydrophobicContact CG2-CD 3.87Å; T678-K778 VanDerWaalsContact CG2-CE 3.41Å; T678-K778 HydrophobicContact CG2-CG 3.06Å; T678-K778 WeakPolarHBondContact CG2-O 3.41Å
679	P	65.2	Low	70.7	Confident	72 Å²	72	33.3 Å²	33.3	47%	0.468	18%	0.182	S	C	.	.			trans	-73.6	151.3	168	29.7	-32.2	0	0	0	111.8	Q724	P679-Q724 PolarHBondContact O-NE2 3.05Å
680	L	71.1	Confident	71.9	Confident	14 Å²	14	29.6 Å²	29.6	7%	0.073	17%	0.165	C	C	.	.			trans	-67.7	130	167	-80	153.3	0	0	0	109.8	R723 V1066 P1068	L680-R723 HydrophobicContact CD2-CB 4.47Å; L680-R723 HydrophobicContact CD2-CG 3.75Å; L680-V1066 HydrophobicContact CD1-CG1 4.44Å; L680-P1068 VanDerWaalsContact O-CB 3.3Å; L680-P1068 WeakPolarHBondContact O-CB 3.34Å; L680-P1068 WeakPolarHBondContact O-CG 3.35Å
681	N	79.1	Confident	72.9	Confident	53 Å²	53	25.6 Å²	25.6	28%	0.283	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-122.5	80.3	177.7	-76.5	-14.2	0	0	0	110.2	L683 R723 Q724 V725	N681-L683 VanDerWaalsContact C-N 3.34Å; N681-L683 PolarHBondContact O-N 3.26Å; N681-R723 PolarHBondContact N-O 2.53Å; N681-Q724 HydrophobicContact CB-CB 4.09Å; N681-Q724 HydrophobicContact CB-CG 3.9Å; N681-Q724 VanDerWaalsContact O-CA 3.29Å; N681-Q724 WeakPolarHBondContact O-CA 3.12Å; N681-V725 PolarHBondContact O-N 3.25Å
682	G	80.7	Confident	73.7	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.021	15%	0.149	C	C	.	.			trans	-87.3	10.4	-175.3	0	0	0	0	0	116.2	V692 L693	G682-V692 CarbonylContact O-C 3.6Å; G682-V692 WeakPolarHBondContact O-CA 3.15Å; G682-L693 PolarHBondContact O-N 2.95Å
683	L	88.7	Confident	74.4	Confident	13 Å²	13	24.1 Å²	24.1	7%	0.068	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.5	-176.3	-179.5	62.8	0	0	0	110.1	N681 V692 A1016 L1023 I1025 L1031	N681-L683 VanDerWaalsContact C-N 3.34Å; N681-L683 PolarHBondContact O-N 3.26Å; L683-V692 HydrophobicContact CD1-CB 4.41Å; L683-V692 HydrophobicContact CD1-CG1 4.11Å; L683-V692 HydrophobicContact CD1-CG2 3.64Å; L683-A1016 HydrophobicContact CD1-CB 4.39Å; L683-A1016 HydrophobicContact CD2-CB 4.03Å; L683-A1016 HydrophobicContact CG-CB 3.65Å; L683-L1023 HydrophobicContact CD1-CB 3.88Å; L683-L1023 HydrophobicContact CD1-CD1 4.03Å; L683-L1023 HydrophobicContact CD2-CB 4.22Å; L683-L1023 HydrophobicContact CG-CB 4.49Å; L683-I1025 HydrophobicContact CB-CD1 3.96Å; L683-I1025 HydrophobicContact CD1-CD1 4.47Å; L683-I1025 HydrophobicContact CD2-CD1 4.35Å; L683-I1025 HydrophobicContact CD2-CG1 4.2Å; L683-I1025 HydrophobicContact CG-CD1 4.47Å; L683-L1031 HydrophobicContact CD1-CD1 4.23Å
684	A	87.8	Confident	74.9	Confident	10 Å²	10	20.8 Å²	20.8	8%	0.083	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.7	173.6	0	0	0	0	0	111.4	S690 C691 V725 C727	A684-S690 CarbonylContact O-C 3.52Å; A684-S690 WeakPolarHBondContact O-CA 2.81Å; A684-C691 PolarHBondContact N-O 3.25Å; A684-C691 PolarHBondContact O-N 2.78Å; A684-V725 HydrophobicContact CB-CB 4.42Å; A684-V725 HydrophobicContact CB-CG2 3.81Å; A684-V725 WeakPolarHBondContact CB-O 3.23Å; A684-C727 HydrophobicContact CB-CB 4.49Å; A684-C727 WeakPolarHBondContact CB-SG 3.4Å; A684-C727 PolarHBondContact O-SG 3.16Å
685	A	85.9	Confident	74.6	Confident	19 Å²	19	22.3 Å²	22.3	16%	0.157	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118.1	175.1	0	0	0	0	0	107.9	A1016	A685-A1016 HydrophobicContact CB-CB 3.74Å
686	G	82.6	Confident	74.1	Confident	9 Å²	9	24.8 Å²	24.8	9%	0.093	15%	0.146	C	C	.	.			trans	-90.2	-164.5	169.2	0	0	0	0	0	111.2	S689 C727 G728 G1018	G686-S689 WeakPolarHBondContact CA-O 3.23Å; G686-S689 PolarHBondContact N-O 2.87Å; G686-C727 VanDerWaalsContact CA-O 3.28Å; G686-C727 WeakPolarHBondContact CA-O 3.35Å; G686-G728 WeakPolarHBondContact CA-O 3.19Å; G686-G1018 WeakPolarHBondContact O-CA 3.29Å
687	L	77.8	Confident	74.3	Confident	35 Å²	35	24.1 Å²	24.1	18%	0.183	14%	0.141	C	C	.	.	S	Bend	trans	-58.5	-59.2	-178.2	-88.7	135.2	0	0	0	112	G728 F729 A784 F966 S1019	L687-G728 PolarHBondContact N-O 2.9Å; L687-F729 HydrophobicContact CB-CD2 3.65Å; L687-F729 HydrophobicContact CB-CE2 4.33Å; L687-F729 HydrophobicContact CD1-CB 3.81Å; L687-F729 HydrophobicContact CD1-CD2 3.51Å; L687-F729 HydrophobicContact CD1-CE2 4.48Å; L687-F729 HydrophobicContact CD1-CG 4.05Å; L687-F729 HydrophobicContact CD2-CD2 4.46Å; L687-F729 HydrophobicContact CG-CD2 4.04Å; L687-A784 HydrophobicContact CD1-CB 4.25Å; L687-F966 HydrophobicContact CD2-CD2 3.52Å; L687-F966 HydrophobicContact CD2-CE2 3.88Å; L687-S1019 WeakPolarHBondContact O-CB 3.07Å; L687-S1019 PolarHBondContact O-N 3.08Å; L687-S1019 VanDerWaalsContact O-N 3.07Å; L687-S1019 PolarHBondContact O-OG 3.49Å
688	N	76.5	Confident	74.5	Confident	37 Å²	37	22.2 Å²	22.2	20%	0.198	13%	0.13	C	C	.	.	S	Bend	trans	-124.9	12.9	-179.6	-71	-16.9	0	0	0	112.8	G703 E704 S1019	N688-G703 VanDerWaalsContact O-CA 3.28Å; N688-G703 WeakPolarHBondContact O-CA 3.28Å; N688-E704 HydrophobicContact CB-CB 4.43Å; N688-E704 HydrophobicContact CB-CG 3.92Å; N688-E704 PolarHBondContact ND2-OE1 2.76Å; N688-E704 PolarHBondContact O-N 2.91Å; N688-S1019 PolarHBondContact OD1-OG 2.85Å
689	S	80.9	Confident	75.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.2	-175.6	-55.8	0	0	0	0	109.9	G686 Y702 E704 V705	G686-S689 WeakPolarHBondContact CA-O 3.23Å; G686-S689 PolarHBondContact N-O 2.87Å; S689-Y702 CarbonylContact C-O 3.59Å; S689-Y702 VanDerWaalsContact CA-O 3.27Å; S689-Y702 WeakPolarHBondContact CA-O 3.1Å; S689-E704 PolarHBondContact OG-N 3.2Å; S689-V705 WeakPolarHBondContact OG-CG2 3.43Å; S689-V705 PolarHBondContact OG-N 3.23Å
690	S	85.6	Confident	75.5	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.6	176	-44.1	0	0	0	0	110.1	A684 T701 Y702 H1021 S1039	A684-S690 CarbonylContact O-C 3.52Å; A684-S690 WeakPolarHBondContact O-CA 2.81Å; S690-T701 CarbonylContact O-C 3.35Å; S690-T701 VanDerWaalsContact O-CA 3.32Å; S690-T701 WeakPolarHBondContact O-CA 2.93Å; S690-Y702 PolarHBondContact N-O 2.66Å; S690-Y702 PolarHBondContact O-N 3.23Å; S690-H1021 PolarHBondContact OG-NE2 2.89Å; S690-S1039 PolarHBondContact OG-O 2.74Å
691	C	84.7	Confident	75.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.2	179.9	-32.7	0	0	0	0	107.8	A684 R700 V725 C727	A684-C691 PolarHBondContact N-O 3.25Å; A684-C691 PolarHBondContact O-N 2.78Å; C691-R700 CarbonylContact C-O 3.4Å; C691-R700 WeakPolarHBondContact CA-O 3.28Å; C691-V725 HydrophobicContact CB-CB 4.22Å; C691-V725 HydrophobicContact CB-CG2 4.34Å; C691-C727 WeakPolarHBondContact CB-SG 3.19Å; C691-C727 PolarHBondContact N-SG 2.92Å; C691-C727 WeakPolarHBondContact SG-CB 3.12Å; C691-C727 CovalentContact SG-SG 2.07Å; C691-C727 PolarHBondContact SG-SG 3.45Å
692	V	83.2	Confident	75.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.7	-178.6	-165.6	0	0	0	0	109.6	G682 L683 R700 Y702 L1023 I1025 L1031 F1065	G682-V692 CarbonylContact O-C 3.6Å; G682-V692 WeakPolarHBondContact O-CA 3.15Å; L683-V692 HydrophobicContact CD1-CB 4.41Å; L683-V692 HydrophobicContact CD1-CG1 4.11Å; L683-V692 HydrophobicContact CD1-CG2 3.64Å; V692-R700 PolarHBondContact N-O 2.79Å; V692-R700 PolarHBondContact O-N 3.13Å; V692-Y702 HydrophobicContact CB-CE2 4.13Å; V692-Y702 HydrophobicContact CG2-CD2 4.2Å; V692-Y702 HydrophobicContact CG2-CE2 3.57Å; V692-L1023 HydrophobicContact CG2-CD1 4.4Å; V692-I1025 HydrophobicContact CG1-CD1 4.04Å; V692-L1031 HydrophobicContact CG1-CD1 4.2Å; V692-L1031 HydrophobicContact CG1-CD2 4.38Å; V692-L1031 HydrophobicContact CG2-CD1 4.26Å; V692-L1031 HydrophobicContact CG2-CD2 4.11Å; V692-F1065 HydrophobicContact CB-CD1 4.18Å; V692-F1065 HydrophobicContact CB-CE1 4.18Å; V692-F1065 HydrophobicContact CG1-CB 4.4Å; V692-F1065 HydrophobicContact CG1-CD1 3.29Å; V692-F1065 HydrophobicContact CG1-CE1 3.73Å; V692-F1065 HydrophobicContact CG1-CG 4.03Å
693	L	75.5	Confident	75.3	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.3	171.5	-64.5	-179	0	0	0	110.3	G682 I699 I722 V725 F1065 V1066	G682-L693 PolarHBondContact O-N 2.95Å; L693-I699 HydrophobicContact CD2-CB 4.44Å; L693-I699 HydrophobicContact CD2-CD1 4.47Å; L693-I699 HydrophobicContact CD2-CG1 3.43Å; L693-I699 VanDerWaalsContact CD2-CG1 3.43Å; L693-I722 HydrophobicContact CD1-CG2 4.18Å; L693-I722 WeakPolarHBondContact CD1-O 3.5Å; L693-I722 HydrophobicContact CD2-CB 3.77Å; L693-I722 HydrophobicContact CD2-CG2 3.69Å; L693-V725 HydrophobicContact CD1-CG1 4.19Å; L693-V725 HydrophobicContact CD2-CG1 3.64Å; L693-V725 HydrophobicContact CG-CG1 3.73Å; L693-F1065 WeakPolarHBondContact O-CA 3.35Å; L693-F1065 WeakPolarHBondContact O-CB 3.49Å; L693-F1065 WeakPolarHBondContact O-CD1 3.44Å; L693-V1066 HydrophobicContact CB-CB 4.31Å; L693-V1066 HydrophobicContact CB-CG2 3.8Å; L693-V1066 PolarHBondContact O-N 3.3Å
694	T	66.9	Low	74.4	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-67.5	159.5	167.2	73.8	0	0	0	0	109.6	E696 L697 N698 R700 K1064 F1065 V1066	T694-E696 PolarHBondContact O-N 3.31Å; T694-E696 WeakPolarHBondContact OG1-CB 3.44Å; T694-E696 PolarHBondContact OG1-N 3.26Å; T694-L697 WeakPolarHBondContact O-CA 3.31Å; T694-L697 PolarHBondContact O-N 2.86Å; T694-N698 HydrophobicContact CG2-CB 4.46Å; T694-N698 PolarHBondContact N-O 3.39Å; T694-N698 WeakPolarHBondContact OG1-CB 3.46Å; T694-N698 PolarHBondContact OG1-N 2.82Å; T694-N698 PolarHBondContact OG1-O 3.13Å; T694-R700 HydrophobicContact CG2-CG 3.69Å; T694-K1064 CarbonylContact C-O 3.53Å; T694-F1065 HydrophobicContact CG2-CD1 4.26Å; T694-F1065 HydrophobicContact CG2-CE1 4.05Å; T694-V1066 WeakPolarHBondContact O-CG2 3.46Å
695	S	58.6	Low	73.4	Confident	38 Å²	38	22 Å²	22	27%	0.266	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.7	169.9	61.1	0	0	0	0	112.9	L697 K1064	S695-L697 VanDerWaalsContact C-N 3.25Å; S695-K1064 VanDerWaalsContact CB-O 3.25Å; S695-K1064 WeakPolarHBondContact CB-O 2.96Å; S695-K1064 PolarHBondContact N-O 3.44Å; S695-K1064 WeakPolarHBondContact OG-CB 3.35Å; S695-K1064 PolarHBondContact OG-O 3.43Å
696	E	51.3	Low	72.4	Confident	64 Å²	64	23.4 Å²	23.4	30%	0.299	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.7	171.5	-42.6	174.9	161.3	0	0	114	Y600 T694 N698	Y600-E696 HydrophobicContact CD2-CB 3.91Å; Y600-E696 HydrophobicContact CE2-CB 3.46Å; Y600-E696 VanDerWaalsContact CE2-CB 3.46Å; Y600-E696 HydrophobicContact CE2-CG 3.71Å; T694-E696 PolarHBondContact O-N 3.31Å; T694-E696 WeakPolarHBondContact OG1-CB 3.44Å; T694-E696 PolarHBondContact OG1-N 3.26Å; E696-N698 PolarHBondContact O-N 2.97Å; E696-N698 VanDerWaalsContact O-N 3.13Å; E696-N698 PolarHBondContact OE2-ND2 3.26Å
697	L	58.1	Low	70.9	Confident	7 Å²	7	28 Å²	28	4%	0.037	14%	0.14	C	C	.	.	S	Bend	trans	58.8	15.1	-172.3	-56.7	179.2	0	0	0	114.3	E603 T694 S695 L721 Y737 V1066	E603-L697 WeakPolarHBondContact OE2-CD1 3.46Å; T694-L697 WeakPolarHBondContact O-CA 3.31Å; T694-L697 PolarHBondContact O-N 2.86Å; S695-L697 VanDerWaalsContact C-N 3.25Å; L697-L721 HydrophobicContact CB-CD2 4.39Å; L697-L721 HydrophobicContact CD1-CB 3.9Å; L697-L721 HydrophobicContact CD1-CD1 4.3Å; L697-L721 HydrophobicContact CD1-CD2 3.46Å; L697-L721 VanDerWaalsContact CD1-CD2 3.46Å; L697-L721 HydrophobicContact CD1-CG 4.07Å; L697-Y737 HydrophobicContact CD1-CE2 3.99Å; L697-Y737 HydrophobicContact CD2-CE2 4.35Å; L697-V1066 HydrophobicContact CD2-CG2 3.9Å
698	N	62.7	Low	69.8	Low	76 Å²	76	29.9 Å²	29.9	41%	0.406	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-76.9	140.1	168.2	-67	-38.9	0	0	0	109	T694 E696	T694-N698 HydrophobicContact CG2-CB 4.46Å; T694-N698 PolarHBondContact N-O 3.39Å; T694-N698 WeakPolarHBondContact OG1-CB 3.46Å; T694-N698 PolarHBondContact OG1-N 2.82Å; T694-N698 PolarHBondContact OG1-O 3.13Å; E696-N698 PolarHBondContact O-N 2.97Å; E696-N698 VanDerWaalsContact O-N 3.13Å; E696-N698 PolarHBondContact OE2-ND2 3.26Å
699	I	73.6	Confident	68.7	Low	25 Å²	25	30.6 Å²	30.6	13%	0.128	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.1	172.1	-64.7	161.3	0	0	0	108.6	L693 T701 L712 I722 V725 F734	L693-I699 HydrophobicContact CD2-CB 4.44Å; L693-I699 HydrophobicContact CD2-CD1 4.47Å; L693-I699 HydrophobicContact CD2-CG1 3.43Å; L693-I699 VanDerWaalsContact CD2-CG1 3.43Å; I699-T701 HydrophobicContact CG2-CG2 3.91Å; I699-L712 HydrophobicContact CB-CD1 4.24Å; I699-L712 HydrophobicContact CD1-CD1 3.29Å; I699-L712 HydrophobicContact CD1-CD2 3.84Å; I699-L712 HydrophobicContact CD1-CG 4.2Å; I699-L712 HydrophobicContact CG1-CD1 4.36Å; I699-L712 HydrophobicContact CG2-CD1 4.49Å; I699-I722 HydrophobicContact CD1-CB 4.15Å; I699-I722 HydrophobicContact CD1-CD1 4.29Å; I699-I722 HydrophobicContact CD1-CG1 3.59Å; I699-I722 HydrophobicContact CD1-CG2 4.04Å; I699-I722 HydrophobicContact CG1-CB 4.29Å; I699-I722 HydrophobicContact CG1-CG1 4.1Å; I699-I722 HydrophobicContact CG1-CG2 4.31Å; I699-V725 HydrophobicContact CG1-CG1 4.38Å; I699-F734 HydrophobicContact CD1-CB 4.06Å; I699-F734 HydrophobicContact CD1-CD1 3.26Å; I699-F734 HydrophobicContact CD1-CD2 4.2Å; I699-F734 HydrophobicContact CD1-CE1 3.62Å; I699-F734 HydrophobicContact CD1-CE2 4.49Å; I699-F734 HydrophobicContact CD1-CG 3.56Å; I699-F734 HydrophobicContact CD1-CZ 4.22Å; I699-F734 HydrophobicContact CG1-CD1 4.26Å; I699-F734 HydrophobicContact CG1-CE1 4.44Å; I699-F734 HydrophobicContact CG2-CE1 3.91Å
700	R	73.6	Confident	67.4	Low	68 Å²	68	31.2 Å²	31.2	26%	0.257	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.9	162.4	-61.5	-172.8	80.6	89.5	-3.4	108.7	C691 V692 T694 Y702 E1060 Y1063	C691-R700 CarbonylContact C-O 3.4Å; C691-R700 WeakPolarHBondContact CA-O 3.28Å; V692-R700 PolarHBondContact N-O 2.79Å; V692-R700 PolarHBondContact O-N 3.13Å; T694-R700 HydrophobicContact CG2-CG 3.69Å; R700-Y702 HydrophobicContact CB-CE2 3.84Å; R700-Y702 WeakPolarHBondContact CB-OH 3.36Å; R700-E1060 WeakPolarHBondContact CD-OE2 2.87Å; R700-E1060 IonicContact CZ-OE1 3.53Å; R700-E1060 VanDerWaalsContact CZ-OE1 3.26Å; R700-E1060 IonicContact CZ-OE2 3.44Å; R700-E1060 IonicContact NE-OE1 3Å; R700-E1060 PolarHBondContact NE-OE1 3.43Å; R700-E1060 IonicContact NE-OE2 2.67Å; R700-E1060 PolarHBondContact NE-OE2 2.83Å; R700-E1060 IonicContact NH2-OE1 2.83Å; R700-E1060 PolarHBondContact NH2-OE1 2.98Å; R700-E1060 IonicContact NH2-OE2 3.45Å; R700-Y1063 VanDerWaalsContact NH1-CZ 3.34Å; R700-Y1063 PolarHBondContact NH1-OH 3.48Å
701	T	77.1	Confident	66	Low	34 Å²	34	33.9 Å²	33.9	21%	0.209	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	149.2	171.9	50.4	0	0	0	0	109.5	S690 I699 V705 V706	S690-T701 CarbonylContact O-C 3.35Å; S690-T701 VanDerWaalsContact O-CA 3.32Å; S690-T701 WeakPolarHBondContact O-CA 2.93Å; I699-T701 HydrophobicContact CG2-CG2 3.91Å; T701-V705 HydrophobicContact CG2-CG1 3.98Å; T701-V706 WeakPolarHBondContact O-CG2 3.39Å; T701-V706 WeakPolarHBondContact OG1-CG2 3.42Å
702	Y	76.6	Confident	64.6	Low	4 Å²	4	37 Å²	37	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.4	178.6	-51.1	-87.6	0	0	0	109.2	S689 S690 V692 R700 S1039 M1040 E1060	S689-Y702 CarbonylContact C-O 3.59Å; S689-Y702 VanDerWaalsContact CA-O 3.27Å; S689-Y702 WeakPolarHBondContact CA-O 3.1Å; S690-Y702 PolarHBondContact N-O 2.66Å; S690-Y702 PolarHBondContact O-N 3.23Å; V692-Y702 HydrophobicContact CB-CE2 4.13Å; V692-Y702 HydrophobicContact CG2-CD2 4.2Å; V692-Y702 HydrophobicContact CG2-CE2 3.57Å; R700-Y702 HydrophobicContact CB-CE2 3.84Å; R700-Y702 WeakPolarHBondContact CB-OH 3.36Å; Y702-S1039 WeakPolarHBondContact CB-O 3.25Å; Y702-M1040 VanDerWaalsContact CD1-C 3.48Å; Y702-M1040 WeakPolarHBondContact CD1-O 3.39Å; Y702-M1040 WeakPolarHBondContact CE1-O 3.2Å; Y702-E1060 PolarHBondContact OH-OE2 3.03Å
703	G	74.2	Confident	62.7	Low	3 Å²	3	40.7 Å²	40.7	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-148.4	176.5	0	0	0	0	0	114.2	N688 V705 V706 Y707	N688-G703 VanDerWaalsContact O-CA 3.28Å; N688-G703 WeakPolarHBondContact O-CA 3.28Å; G703-V705 VanDerWaalsContact C-N 3.25Å; G703-V705 PolarHBondContact O-N 3.27Å; G703-V705 VanDerWaalsContact O-N 3.16Å; G703-V706 PolarHBondContact O-N 3.3Å; G703-Y707 VanDerWaalsContact O-CD2 3.26Å; G703-Y707 WeakPolarHBondContact O-CD2 3.29Å; G703-Y707 PolarHBondContact O-N 3.4Å
704	E	70	Confident	61.1	Low	40 Å²	40	42.4 Å²	42.4	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-29.4	-168.7	-80.6	-173.9	-151.9	0	0	114.4	N688 S689 V706 Y707 N708 R730	N688-E704 HydrophobicContact CB-CB 4.43Å; N688-E704 HydrophobicContact CB-CG 3.92Å; N688-E704 PolarHBondContact ND2-OE1 2.76Å; N688-E704 PolarHBondContact O-N 2.91Å; S689-E704 PolarHBondContact OG-N 3.2Å; E704-V706 VanDerWaalsContact C-N 3.27Å; E704-V706 PolarHBondContact O-N 2.92Å; E704-Y707 PolarHBondContact O-N 3.46Å; E704-N708 PolarHBondContact O-N 3.4Å; E704-N708 PolarHBondContact O-ND2 3.28Å; E704-R730 WeakPolarHBondContact OE2-CG 3.44Å; E704-R730 IonicContact OE2-CZ 3.83Å; E704-R730 IonicContact OE2-NE 3.53Å; E704-R730 PolarHBondContact OE2-NE 3.16Å; E704-R730 IonicContact OE2-NH2 3.94Å; E704-R730 PolarHBondContact OE2-NH2 3.34Å
705	V	65.6	Low	59.4	Low	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-36.9	173.9	171.9	0	0	0	0	111.3	S689 T701 G703 C710	S689-V705 WeakPolarHBondContact OG-CG2 3.43Å; S689-V705 PolarHBondContact OG-N 3.23Å; T701-V705 HydrophobicContact CG2-CG1 3.98Å; G703-V705 VanDerWaalsContact C-N 3.25Å; G703-V705 PolarHBondContact O-N 3.27Å; G703-V705 VanDerWaalsContact O-N 3.16Å; V705-C710 HydrophobicContact CG1-CB 3.7Å; V705-C710 WeakPolarHBondContact O-CB 3.46Å; V705-C710 PolarHBondContact O-N 3.36Å
706	V	64.4	Low	58.2	Low	49 Å²	49	50.5 Å²	50.5	30%	0.297	29%	0.285	S	S	.	.	H	α-helix	trans	-76.8	-44.4	176.7	-175.7	0	0	0	0	111.1	T701 G703 E704 N708 G709	T701-V706 WeakPolarHBondContact O-CG2 3.39Å; T701-V706 WeakPolarHBondContact OG1-CG2 3.42Å; G703-V706 PolarHBondContact O-N 3.3Å; E704-V706 VanDerWaalsContact C-N 3.27Å; E704-V706 PolarHBondContact O-N 2.92Å; V706-N708 PolarHBondContact O-N 3.24Å; V706-N708 VanDerWaalsContact O-N 3.14Å; V706-G709 PolarHBondContact O-N 3.32Å
707	Y	52.6	Low	57.3	Low	107 Å²	107	51.8 Å²	51.8	42%	0.42	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-28.8	-177.9	-79	-71.2	0	0	0	113.2	G703 E704 G709 Q1038	G703-Y707 VanDerWaalsContact O-CD2 3.26Å; G703-Y707 WeakPolarHBondContact O-CD2 3.29Å; G703-Y707 PolarHBondContact O-N 3.4Å; E704-Y707 PolarHBondContact O-N 3.46Å; Y707-G709 VanDerWaalsContact C-N 3.33Å; Y707-Q1038 HydrophobicContact CE2-CG 3.86Å; Y707-Q1038 WeakPolarHBondContact OH-CG 3.46Å
708	N	54.6	Low	56.6	Low	74 Å²	74	53 Å²	53	40%	0.396	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	13.4	179	-61.8	-39.4	0	0	0	113.6	E704 V706 C710 W759	E704-N708 PolarHBondContact O-N 3.4Å; E704-N708 PolarHBondContact O-ND2 3.28Å; V706-N708 PolarHBondContact O-N 3.24Å; V706-N708 VanDerWaalsContact O-N 3.14Å; N708-C710 PolarHBondContact O-N 2.97Å; N708-W759 HydrophobicContact CB-CH2 3.36Å; N708-W759 HydrophobicContact CB-CZ2 3.2Å; N708-W759 HydrophobicContact CB-CZ3 4.48Å; N708-W759 WeakPolarHBondContact ND2-CH2 3.45Å
709	G	53.2	Low	56.3	Low	51 Å²	51	55.2 Å²	55.2	53%	0.526	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	20.4	173.1	0	0	0	0	0	114.9	V706 Y707 S711	V706-G709 PolarHBondContact O-N 3.32Å; Y707-G709 VanDerWaalsContact C-N 3.33Å; G709-S711 PolarHBondContact O-N 3.5Å
710	C	53.5	Low	55.8	Low	13 Å²	13	55.6 Å²	55.6	9%	0.088	32%	0.323	C	S	.	.			trans	-69.5	119	174.4	-61.1	0	0	0	0	109.8	V705 N708 V744 W759 A761	V705-C710 HydrophobicContact CG1-CB 3.7Å; V705-C710 WeakPolarHBondContact O-CB 3.46Å; V705-C710 PolarHBondContact O-N 3.36Å; N708-C710 PolarHBondContact O-N 2.97Å; C710-V744 HydrophobicContact CB-CG2 3.8Å; C710-W759 WeakPolarHBondContact SG-CZ2 3.19Å; C710-A761 CarbonylContact C-O 3.57Å; C710-A761 VanDerWaalsContact CA-O 3.28Å; C710-A761 WeakPolarHBondContact CA-O 3.37Å
711	S	55.3	Low	55.5	Low	57 Å²	57	53.2 Å²	53.2	40%	0.399	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-115.1	138	175.7	-168.1	0	0	0	0	110.1	G709 V713 A761	G709-S711 PolarHBondContact O-N 3.5Å; S711-V713 PolarHBondContact O-N 2.74Å; S711-V713 VanDerWaalsContact O-N 3.14Å; S711-V713 WeakPolarHBondContact OG-CG2 3.26Å; S711-A761 PolarHBondContact N-O 2.65Å
712	L	55.8	Low	55.4	Low	64 Å²	64	51.9 Å²	51.9	34%	0.335	31%	0.307	S	S	.	.			trans	-86.4	53.7	168.8	-144.6	122.3	0	0	0	109.2	I699 V714 F734 A763	I699-L712 HydrophobicContact CB-CD1 4.24Å; I699-L712 HydrophobicContact CD1-CD1 3.29Å; I699-L712 HydrophobicContact CD1-CD2 3.84Å; I699-L712 HydrophobicContact CD1-CG 4.2Å; I699-L712 HydrophobicContact CG1-CD1 4.36Å; I699-L712 HydrophobicContact CG2-CD1 4.49Å; L712-V714 HydrophobicContact CD2-CG2 4.07Å; L712-V714 HydrophobicContact CG-CG2 4.15Å; L712-V714 PolarHBondContact O-N 3.14Å; L712-F734 HydrophobicContact CD1-CD1 4.43Å; L712-F734 HydrophobicContact CD1-CD2 3.66Å; L712-F734 HydrophobicContact CD1-CE1 4.13Å; L712-F734 HydrophobicContact CD1-CE2 3.29Å; L712-F734 HydrophobicContact CD1-CG 4.2Å; L712-F734 HydrophobicContact CD1-CZ 3.54Å; L712-A763 HydrophobicContact CD1-CB 4.31Å; L712-A763 HydrophobicContact CG-CB 4.28Å
713	V	43.6	Very low	55.4	Low	78 Å²	78	52.1 Å²	52.1	47%	0.473	31%	0.308	S	S	.	.			trans	-80.2	66.8	165.5	-165.8	0	0	0	0	107.4	S711 N715	S711-V713 PolarHBondContact O-N 2.74Å; S711-V713 VanDerWaalsContact O-N 3.14Å; S711-V713 WeakPolarHBondContact OG-CG2 3.26Å; V713-N715 VanDerWaalsContact C-N 3.27Å; V713-N715 PolarHBondContact O-N 2.79Å
714	V	40.7	Very low	56	Low	36 Å²	36	52.1 Å²	52.1	22%	0.218	31%	0.307	C	S	.	.			trans	-77.5	95.1	162.7	-167.5	0	0	0	0	105.4	L712 I720 A763	L712-V714 HydrophobicContact CD2-CG2 4.07Å; L712-V714 HydrophobicContact CG-CG2 4.15Å; L712-V714 PolarHBondContact O-N 3.14Å; V714-I720 HydrophobicContact CB-CD1 4.36Å; V714-I720 HydrophobicContact CG1-CD1 3.39Å; V714-I720 HydrophobicContact CG1-CG1 3.92Å; V714-A763 HydrophobicContact CG2-CB 3.91Å
715	N	32.7	Very low	56.9	Low	93 Å²	93	50.7 Å²	50.7	50%	0.497	30%	0.301	S	S	.	.			trans	29.7	108.7	171.3	-163.1	-2.5	0	0	0	116	V713 A717 S718	V713-N715 VanDerWaalsContact C-N 3.27Å; V713-N715 PolarHBondContact O-N 2.79Å; N715-A717 PolarHBondContact O-N 3.33Å; N715-A717 PolarHBondContact OD1-N 2.73Å; N715-S718 PolarHBondContact O-N 3.45Å
716	P	32.3	Very low	58.1	Low	117 Å²	117	51 Å²	51	76%	0.76	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.5	-179.6	19.7	-30.4	0	0	0	115
717	A	33.7	Very low	59.2	Low	91 Å²	91	49.2 Å²	49.2	75%	0.752	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.7	174.8	0	0	0	0	0	114.8	N715	N715-A717 PolarHBondContact O-N 3.33Å; N715-A717 PolarHBondContact OD1-N 2.73Å
718	S	42.9	Very low	60.9	Low	31 Å²	31	44.2 Å²	44.2	22%	0.217	28%	0.275	C	S	.	.	S	Bend	trans	-132.5	85.3	-176.4	60.5	0	0	0	0	110.1	N715 I720	N715-S718 PolarHBondContact O-N 3.45Å; S718-I720 VanDerWaalsContact C-N 3.34Å; S718-I720 PolarHBondContact O-N 3.39Å
719	K	55.3	Low	62.3	Low	123 Å²	123	42.6 Å²	42.6	54%	0.535	26%	0.264	S	S	.	.			trans	-62.1	93.7	172.2	-73.1	-175.8	178.6	-179.5	0	109.5	L721	K719-L721 PolarHBondContact O-N 3.47Å
720	I	63.8	Low	63.8	Low	34 Å²	34	44.9 Å²	44.9	17%	0.174	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-68.1	121.4	175.8	-57.3	-165.7	0	0	0	108.7	V714 S718 I722 D736 H742	V714-I720 HydrophobicContact CB-CD1 4.36Å; V714-I720 HydrophobicContact CG1-CD1 3.39Å; V714-I720 HydrophobicContact CG1-CG1 3.92Å; S718-I720 VanDerWaalsContact C-N 3.34Å; S718-I720 PolarHBondContact O-N 3.39Å; I720-I722 HydrophobicContact CG2-CD1 3.94Å; I720-D736 HydrophobicContact CG2-CB 3.4Å; I720-D736 VanDerWaalsContact CG2-CB 3.4Å; I720-H742 VanDerWaalsContact CD1-CE1 3.41Å; I720-H742 WeakPolarHBondContact CD1-CE1 3.49Å
721	L	66.8	Low	65.4	Low	18 Å²	18	44.3 Å²	44.3	9%	0.094	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-78.7	121.2	178.1	-57.9	178.5	0	0	0	110.1	P599 I654 L697 K719 D736 Y737	P599-L721 HydrophobicContact CB-CD1 3.72Å; P599-L721 HydrophobicContact CB-CD2 4.02Å; P599-L721 HydrophobicContact CB-CG 4.21Å; I654-L721 HydrophobicContact CD1-CD1 4.45Å; I654-L721 HydrophobicContact CG1-CD1 4.16Å; L697-L721 HydrophobicContact CB-CD2 4.39Å; L697-L721 HydrophobicContact CD1-CB 3.9Å; L697-L721 HydrophobicContact CD1-CD1 4.3Å; L697-L721 HydrophobicContact CD1-CD2 3.46Å; L697-L721 VanDerWaalsContact CD1-CD2 3.46Å; L697-L721 HydrophobicContact CD1-CG 4.07Å; K719-L721 PolarHBondContact O-N 3.47Å; L721-D736 CarbonylContact O-C 3.51Å; L721-D736 WeakPolarHBondContact O-CA 2.96Å; L721-D736 VanDerWaalsContact O-CB 3.26Å; L721-D736 WeakPolarHBondContact O-CB 3.39Å; L721-Y737 HydrophobicContact CB-CD2 3.46Å; L721-Y737 VanDerWaalsContact CB-CD2 3.46Å; L721-Y737 HydrophobicContact CB-CE2 4.1Å; L721-Y737 HydrophobicContact CB-CG 4.26Å; L721-Y737 HydrophobicContact CD1-CD2 4.45Å; L721-Y737 WeakPolarHBondContact O-CD2 3.2Å; L721-Y737 PolarHBondContact O-N 3.2Å
722	I	75.9	Confident	67	Low	5 Å²	5	41.6 Å²	41.6	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.2	-178.4	-53.5	-63.7	0	0	0	111.2	L693 I699 I720 Q724 V725 F734 D736	L693-I722 HydrophobicContact CD1-CG2 4.18Å; L693-I722 WeakPolarHBondContact CD1-O 3.5Å; L693-I722 HydrophobicContact CD2-CB 3.77Å; L693-I722 HydrophobicContact CD2-CG2 3.69Å; I699-I722 HydrophobicContact CD1-CB 4.15Å; I699-I722 HydrophobicContact CD1-CD1 4.29Å; I699-I722 HydrophobicContact CD1-CG1 3.59Å; I699-I722 HydrophobicContact CD1-CG2 4.04Å; I699-I722 HydrophobicContact CG1-CB 4.29Å; I699-I722 HydrophobicContact CG1-CG1 4.1Å; I699-I722 HydrophobicContact CG1-CG2 4.31Å; I720-I722 HydrophobicContact CG2-CD1 3.94Å; I722-Q724 WeakPolarHBondContact CG2-O 3.13Å; I722-V725 HydrophobicContact CG2-CG1 3.99Å; I722-F734 HydrophobicContact CD1-CB 3.96Å; I722-F734 HydrophobicContact CG2-CB 4.04Å; I722-D736 HydrophobicContact CD1-CB 4.04Å
723	R	76.6	Confident	68.7	Low	9 Å²	9	38.6 Å²	38.6	3%	0.034	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-41.8	-177.2	-174.2	-179.3	-179.2	73.3	-2.5	113.2	W675 T678 L680 N681 L735 Y737	W675-R723 PolarHBondContact O-NH2 2.84Å; T678-R723 PolarHBondContact O-NH2 3.45Å; T678-R723 PolarHBondContact OG1-NE 2.8Å; T678-R723 PolarHBondContact OG1-NH2 3.4Å; L680-R723 HydrophobicContact CD2-CB 4.47Å; L680-R723 HydrophobicContact CD2-CG 3.75Å; N681-R723 PolarHBondContact N-O 2.53Å; R723-L735 WeakPolarHBondContact CA-O 3.44Å; R723-L735 WeakPolarHBondContact CB-O 3.39Å; R723-L735 PolarHBondContact N-O 3.26Å; R723-Y737 HydrophobicContact CB-CD2 4.14Å; R723-Y737 HydrophobicContact CB-CE2 4.29Å; R723-Y737 HydrophobicContact CB-CG 4.41Å
724	Q	86.5	Confident	70.9	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.2	176.1	-53.2	-175.3	-10.4	0	0	111.6	P679 N681 I722 F734 L735 V780	P679-Q724 PolarHBondContact O-NE2 3.05Å; N681-Q724 HydrophobicContact CB-CB 4.09Å; N681-Q724 HydrophobicContact CB-CG 3.9Å; N681-Q724 VanDerWaalsContact O-CA 3.29Å; N681-Q724 WeakPolarHBondContact O-CA 3.12Å; I722-Q724 WeakPolarHBondContact CG2-O 3.13Å; Q724-F734 WeakPolarHBondContact O-CA 3.46Å; Q724-L735 HydrophobicContact CB-CB 3.96Å; Q724-L735 HydrophobicContact CB-CD2 4.29Å; Q724-L735 HydrophobicContact CG-CD2 4.02Å; Q724-L735 PolarHBondContact N-O 3.31Å; Q724-L735 VanDerWaalsContact N-O 3.09Å; Q724-L735 PolarHBondContact O-N 2.77Å; Q724-V780 HydrophobicContact CB-CG2 4.08Å
725	V	88.7	Confident	73.1	Confident	9 Å²	9	33.2 Å²	33.2	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144	174	-59.2	0	0	0	0	109.8	N681 A684 C691 L693 I699 I722 I733 F734	N681-V725 PolarHBondContact O-N 3.25Å; A684-V725 HydrophobicContact CB-CB 4.42Å; A684-V725 HydrophobicContact CB-CG2 3.81Å; A684-V725 WeakPolarHBondContact CB-O 3.23Å; C691-V725 HydrophobicContact CB-CB 4.22Å; C691-V725 HydrophobicContact CB-CG2 4.34Å; L693-V725 HydrophobicContact CD1-CG1 4.19Å; L693-V725 HydrophobicContact CD2-CG1 3.64Å; L693-V725 HydrophobicContact CG-CG1 3.73Å; I699-V725 HydrophobicContact CG1-CG1 4.38Å; I722-V725 HydrophobicContact CG2-CG1 3.99Å; V725-I733 WeakPolarHBondContact CA-O 3.16Å; V725-F734 HydrophobicContact CB-CD1 4.42Å; V725-F734 HydrophobicContact CG1-CD1 3.97Å
726	A	90.9	Very high	75.4	Confident	8 Å²	8	28.9 Å²	28.9	7%	0.066	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.6	171.1	0	0	0	0	0	108.8	A732 I733 V780 C782	A726-A732 CarbonylContact O-C 3.39Å; A726-A732 WeakPolarHBondContact O-CA 3.26Å; A726-I733 PolarHBondContact N-O 2.86Å; A726-I733 PolarHBondContact O-N 2.83Å; A726-V780 HydrophobicContact CB-CG2 4.37Å; A726-C782 HydrophobicContact CB-CB 4.28Å; A726-C782 VanDerWaalsContact CB-SG 3.59Å
727	C	88.8	Confident	77.3	Confident	11 Å²	11	23.4 Å²	23.4	7%	0.074	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.9	179.2	-30.3	0	0	0	0	109.3	A684 G686 C691	A684-C727 HydrophobicContact CB-CB 4.49Å; A684-C727 WeakPolarHBondContact CB-SG 3.4Å; A684-C727 PolarHBondContact O-SG 3.16Å; G686-C727 VanDerWaalsContact CA-O 3.28Å; G686-C727 WeakPolarHBondContact CA-O 3.35Å; C691-C727 WeakPolarHBondContact CB-SG 3.19Å; C691-C727 PolarHBondContact N-SG 2.92Å; C691-C727 WeakPolarHBondContact SG-CB 3.12Å; C691-C727 CovalentContact SG-SG 2.07Å; C691-C727 PolarHBondContact SG-SG 3.45Å
728	G	87.4	Confident	79.1	Confident	3 Å²	3	19.2 Å²	19.2	3%	0.031	9%	0.092	C	C	.	.			trans	-95.8	-143.5	176.4	0	0	0	0	0	112.6	G686 L687 H731 G783	G686-G728 WeakPolarHBondContact CA-O 3.19Å; L687-G728 PolarHBondContact N-O 2.9Å; G728-H731 PolarHBondContact N-O 3.15Å; G728-G783 WeakPolarHBondContact CA-O 3.48Å
729	F	83.8	Confident	80.9	Confident	39 Å²	39	17.8 Å²	17.8	17%	0.171	8%	0.082	C	C	.	.	S	Bend	trans	-69.8	-59.4	175	-177.6	-124.6	0	0	0	111.9	L687 A784 Y785	L687-F729 HydrophobicContact CB-CD2 3.65Å; L687-F729 HydrophobicContact CB-CE2 4.33Å; L687-F729 HydrophobicContact CD1-CB 3.81Å; L687-F729 HydrophobicContact CD1-CD2 3.51Å; L687-F729 HydrophobicContact CD1-CE2 4.48Å; L687-F729 HydrophobicContact CD1-CG 4.05Å; L687-F729 HydrophobicContact CD2-CD2 4.46Å; L687-F729 HydrophobicContact CG-CD2 4.04Å; F729-A784 WeakPolarHBondContact CB-O 3.5Å; F729-A784 PolarHBondContact N-O 2.95Å; F729-Y785 HydrophobicContact CB-CE1 4.41Å; F729-Y785 AromaticContact CD1-CE1 3.59Å; F729-Y785 HydrophobicContact CD1-CE1 3.59Å; F729-Y785 AromaticContact CD1-CZ 3.96Å; F729-Y785 HydrophobicContact CE1-CE1 4.26Å; F729-Y785 HydrophobicContact CG-CE1 4.3Å
730	R	84.6	Confident	82.4	Confident	100 Å²	100	12.2 Å²	12.2	38%	0.377	6%	0.058	S	C	.	.	S	Bend	trans	-133.3	17.6	-177.2	-74	-178.5	172	-179.2	-1.6	113.6	E704 G745 D746	E704-R730 WeakPolarHBondContact OE2-CG 3.44Å; E704-R730 IonicContact OE2-CZ 3.83Å; E704-R730 IonicContact OE2-NE 3.53Å; E704-R730 PolarHBondContact OE2-NE 3.16Å; E704-R730 IonicContact OE2-NH2 3.94Å; E704-R730 PolarHBondContact OE2-NH2 3.34Å; R730-G745 WeakPolarHBondContact O-CA 3.19Å; R730-D746 HydrophobicContact CB-CB 3.62Å; R730-D746 PolarHBondContact O-N 2.94Å
731	H	88.3	Confident	83.6	Confident	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.3	176.8	68.8	-76.2	0	0	0	110	G728 V744 Q751 V752 G783 S787	G728-H731 PolarHBondContact N-O 3.15Å; H731-V744 CarbonylContact C-O 3.55Å; H731-V744 WeakPolarHBondContact CA-O 3.42Å; H731-V744 WeakPolarHBondContact CB-O 3.34Å; H731-Q751 HydrophobicContact CB-CG 4.17Å; H731-V752 HydrophobicContact CB-CG2 4.27Å; H731-G783 PolarHBondContact CE1-O 2.84Å; H731-S787 PolarHBondContact NE2-OG 2.7Å
732	A	88.7	Confident	84.7	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.6	174.8	0	0	0	0	0	110.3	A726 F734 A743 V744	A726-A732 CarbonylContact O-C 3.39Å; A726-A732 WeakPolarHBondContact O-CA 3.26Å; A732-F734 HydrophobicContact CB-CE1 3.98Å; A732-F734 HydrophobicContact CB-CE2 4.37Å; A732-F734 HydrophobicContact CB-CZ 3.65Å; A732-A743 VanDerWaalsContact O-CA 3.27Å; A732-A743 WeakPolarHBondContact O-CA 3.02Å; A732-V744 HydrophobicContact CB-CG1 4.14Å; A732-V744 PolarHBondContact N-O 3.26Å; A732-V744 PolarHBondContact O-N 2.97Å
733	I	91.5	Very high	85.4	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.2	-179.6	-64.8	-178.2	0	0	0	108.9	V725 A726 V741 H742 A743 V780 S787 W799	V725-I733 WeakPolarHBondContact CA-O 3.16Å; A726-I733 PolarHBondContact N-O 2.86Å; A726-I733 PolarHBondContact O-N 2.83Å; I733-V741 HydrophobicContact CG2-CG1 3.31Å; I733-H742 CarbonylContact C-O 3.54Å; I733-H742 WeakPolarHBondContact CA-O 3.26Å; I733-A743 HydrophobicContact CG1-CB 3.85Å; I733-V780 HydrophobicContact CG2-CB 3.93Å; I733-V780 HydrophobicContact CG2-CG1 3.98Å; I733-V780 HydrophobicContact CG2-CG2 4.22Å; I733-S787 WeakPolarHBondContact CD1-OG 3.2Å; I733-W799 HydrophobicContact CD1-CH2 4.47Å; I733-W799 HydrophobicContact CD1-CZ2 3.7Å
734	F	89	Confident	86	Confident	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121	-177.4	-42.7	-67.1	0	0	0	108.8	I699 L712 I722 Q724 V725 A732 V741 H742 V744 A763	I699-F734 HydrophobicContact CD1-CB 4.06Å; I699-F734 HydrophobicContact CD1-CD1 3.26Å; I699-F734 HydrophobicContact CD1-CD2 4.2Å; I699-F734 HydrophobicContact CD1-CE1 3.62Å; I699-F734 HydrophobicContact CD1-CE2 4.49Å; I699-F734 HydrophobicContact CD1-CG 3.56Å; I699-F734 HydrophobicContact CD1-CZ 4.22Å; I699-F734 HydrophobicContact CG1-CD1 4.26Å; I699-F734 HydrophobicContact CG1-CE1 4.44Å; I699-F734 HydrophobicContact CG2-CE1 3.91Å; L712-F734 HydrophobicContact CD1-CD1 4.43Å; L712-F734 HydrophobicContact CD1-CD2 3.66Å; L712-F734 HydrophobicContact CD1-CE1 4.13Å; L712-F734 HydrophobicContact CD1-CE2 3.29Å; L712-F734 HydrophobicContact CD1-CG 4.2Å; L712-F734 HydrophobicContact CD1-CZ 3.54Å; I722-F734 HydrophobicContact CD1-CB 3.96Å; I722-F734 HydrophobicContact CG2-CB 4.04Å; Q724-F734 WeakPolarHBondContact O-CA 3.46Å; V725-F734 HydrophobicContact CB-CD1 4.42Å; V725-F734 HydrophobicContact CG1-CD1 3.97Å; A732-F734 HydrophobicContact CB-CE1 3.98Å; A732-F734 HydrophobicContact CB-CE2 4.37Å; A732-F734 HydrophobicContact CB-CZ 3.65Å; F734-V741 CarbonylContact O-C 3.55Å; F734-V741 WeakPolarHBondContact O-CA 3.42Å; F734-H742 HydrophobicContact CB-CB 4.44Å; F734-H742 HydrophobicContact CD2-CB 4.42Å; F734-H742 PolarHBondContact N-O 2.61Å; F734-H742 PolarHBondContact O-N 3.18Å; F734-V744 HydrophobicContact CE2-CB 4.38Å; F734-V744 HydrophobicContact CE2-CG1 3.63Å; F734-V744 HydrophobicContact CZ-CG1 3.9Å; F734-A763 HydrophobicContact CD2-CB 4.39Å; F734-A763 HydrophobicContact CE2-CB 4.3Å
735	L	87.9	Confident	86.1	Confident	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.8	170.9	175	58.1	0	0	0	107.9	R723 Q724 M740 V741 V777 V780	R723-L735 WeakPolarHBondContact CA-O 3.44Å; R723-L735 WeakPolarHBondContact CB-O 3.39Å; R723-L735 PolarHBondContact N-O 3.26Å; Q724-L735 HydrophobicContact CB-CB 3.96Å; Q724-L735 HydrophobicContact CB-CD2 4.29Å; Q724-L735 HydrophobicContact CG-CD2 4.02Å; Q724-L735 PolarHBondContact N-O 3.31Å; Q724-L735 VanDerWaalsContact N-O 3.09Å; Q724-L735 PolarHBondContact O-N 2.77Å; L735-M740 WeakPolarHBondContact CA-O 2.99Å; L735-M740 WeakPolarHBondContact CD1-O 3.24Å; L735-V741 HydrophobicContact CD1-CG2 4.14Å; L735-V777 HydrophobicContact CD1-CB 3.68Å; L735-V777 HydrophobicContact CD1-CG1 3.79Å; L735-V777 HydrophobicContact CD2-CG1 4.29Å; L735-V780 HydrophobicContact CB-CG1 4.03Å; L735-V780 HydrophobicContact CB-CG2 3.92Å
736	D	79.2	Confident	86.1	Confident	2 Å²	2	10.3 Å²	10.3	1%	0.011	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	170.6	175.3	72.1	18.7	0	0	0	112.6	I720 L721 I722 A738 G739 M740 H742	I720-D736 HydrophobicContact CG2-CB 3.4Å; I720-D736 VanDerWaalsContact CG2-CB 3.4Å; L721-D736 CarbonylContact O-C 3.51Å; L721-D736 WeakPolarHBondContact O-CA 2.96Å; L721-D736 VanDerWaalsContact O-CB 3.26Å; L721-D736 WeakPolarHBondContact O-CB 3.39Å; I722-D736 HydrophobicContact CD1-CB 4.04Å; D736-A738 PolarHBondContact O-N 3.3Å; D736-A738 VanDerWaalsContact OD1-CA 3.29Å; D736-A738 WeakPolarHBondContact OD1-CA 3.39Å; D736-A738 VanDerWaalsContact OD1-CB 3.28Å; D736-A738 WeakPolarHBondContact OD1-CB 3.44Å; D736-A738 PolarHBondContact OD1-N 3.28Å; D736-G739 PolarHBondContact O-N 3.44Å; D736-G739 PolarHBondContact OD1-N 3.41Å; D736-M740 PolarHBondContact N-O 3.43Å; D736-M740 WeakPolarHBondContact OD1-CA 3.28Å; D736-M740 WeakPolarHBondContact OD1-CB 3.1Å; D736-M740 PolarHBondContact OD1-N 2.97Å; D736-M740 WeakPolarHBondContact OD2-CB 3.45Å; D736-H742 IonicContact OD2-CD2 3.58Å; D736-H742 IonicContact OD2-NE2 2.64Å; D736-H742 PolarHBondContact OD2-NE2 2.85Å
737	Y	73.8	Confident	86.1	Confident	2 Å²	2	10 Å²	10	1%	0.008	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.2	173.7	-86.8	-93.2	0	0	0	111.2	E603 I654 W675 L697 L721 R723 G739 I1073	E603-Y737 PolarHBondContact OE1-OH 3.19Å; I654-Y737 HydrophobicContact CD1-CD1 4.5Å; I654-Y737 HydrophobicContact CD1-CG 4.49Å; W675-Y737 HydrophobicContact CZ2-CD1 4.44Å; W675-Y737 WeakPolarHBondContact CZ2-O 3.07Å; W675-Y737 PolarHBondContact NE1-O 3.35Å; L697-Y737 HydrophobicContact CD1-CE2 3.99Å; L697-Y737 HydrophobicContact CD2-CE2 4.35Å; L721-Y737 HydrophobicContact CB-CD2 3.46Å; L721-Y737 VanDerWaalsContact CB-CD2 3.46Å; L721-Y737 HydrophobicContact CB-CE2 4.1Å; L721-Y737 HydrophobicContact CB-CG 4.26Å; L721-Y737 HydrophobicContact CD1-CD2 4.45Å; L721-Y737 WeakPolarHBondContact O-CD2 3.2Å; L721-Y737 PolarHBondContact O-N 3.2Å; R723-Y737 HydrophobicContact CB-CD2 4.14Å; R723-Y737 HydrophobicContact CB-CE2 4.29Å; R723-Y737 HydrophobicContact CB-CG 4.41Å; Y737-G739 PolarHBondContact O-N 2.93Å; Y737-I1073 HydrophobicContact CE1-CD1 3.71Å
738	A	71	Confident	86.3	Confident	3 Å²	3	15.1 Å²	15.1	3%	0.025	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.1	177.3	0	0	0	0	0	113.5	I654 C658 Y667 R671 D736 M740	I654-A738 HydrophobicContact CG2-CB 4.27Å; C658-A738 WeakPolarHBondContact SG-CB 3.21Å; Y667-A738 WeakPolarHBondContact CE1-O 3.24Å; Y667-A738 PolarHBondContact OH-O 3.2Å; R671-A738 WeakPolarHBondContact CD-O 3.18Å; D736-A738 PolarHBondContact O-N 3.3Å; D736-A738 VanDerWaalsContact OD1-CA 3.29Å; D736-A738 WeakPolarHBondContact OD1-CA 3.39Å; D736-A738 VanDerWaalsContact OD1-CB 3.28Å; D736-A738 WeakPolarHBondContact OD1-CB 3.44Å; D736-A738 PolarHBondContact OD1-N 3.28Å; A738-M740 HydrophobicContact CB-CE 3.51Å; A738-M740 HydrophobicContact CB-CG 3.88Å; A738-M740 HydrophobicContact CB-SD 4.48Å
739	G	80.8	Confident	86.5	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	89.2	18.2	-176	0	0	0	0	0	111.8	Y667 D736 Y737 V777	Y667-G739 PolarHBondContact OH-O 3.06Å; D736-G739 PolarHBondContact O-N 3.44Å; D736-G739 PolarHBondContact OD1-N 3.41Å; Y737-G739 PolarHBondContact O-N 2.93Å; G739-V777 WeakPolarHBondContact O-CB 3.47Å; G739-V777 WeakPolarHBondContact O-CG2 3.3Å; G739-V777 PolarHBondContact O-N 3.2Å
740	M	85.6	Confident	86.9	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.025	7%	0.07	C	C	.	.			trans	-99	152.6	177.2	-45.3	-165.2	-151.9	0	0	110.5	C658 A661 I663 L735 D736 A738 L765 L767	C658-M740 HydrophobicContact CB-CE 4.46Å; A661-M740 HydrophobicContact CB-CE 3.62Å; A661-M740 HydrophobicContact CB-SD 3.98Å; I663-M740 HydrophobicContact CD1-CE 3.25Å; I663-M740 HydrophobicContact CD1-CG 4.39Å; I663-M740 HydrophobicContact CD1-SD 3.82Å; L735-M740 WeakPolarHBondContact CA-O 2.99Å; L735-M740 WeakPolarHBondContact CD1-O 3.24Å; D736-M740 PolarHBondContact N-O 3.43Å; D736-M740 WeakPolarHBondContact OD1-CA 3.28Å; D736-M740 WeakPolarHBondContact OD1-CB 3.1Å; D736-M740 PolarHBondContact OD1-N 2.97Å; D736-M740 WeakPolarHBondContact OD2-CB 3.45Å; A738-M740 HydrophobicContact CB-CE 3.51Å; A738-M740 HydrophobicContact CB-CG 3.88Å; A738-M740 HydrophobicContact CB-SD 4.48Å; M740-L765 HydrophobicContact CB-CD1 3.72Å; M740-L765 HydrophobicContact CG-CD1 4.4Å; M740-L765 HydrophobicContact SD-CD1 3.89Å; M740-L767 CarbonylContact C-O 3.49Å; M740-L767 VanDerWaalsContact CA-O 3.26Å; M740-L767 WeakPolarHBondContact CA-O 3.28Å; M740-L767 VanDerWaalsContact CB-O 3.23Å; M740-L767 WeakPolarHBondContact CB-O 3.43Å
741	V	90.6	Very high	87.3	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.4	-177.5	179.4	0	0	0	0	109	I733 F734 L735 V766 L767 V777 V780	I733-V741 HydrophobicContact CG2-CG1 3.31Å; F734-V741 CarbonylContact O-C 3.55Å; F734-V741 WeakPolarHBondContact O-CA 3.42Å; L735-V741 HydrophobicContact CD1-CG2 4.14Å; V741-V766 HydrophobicContact CG1-CB 4.38Å; V741-V766 WeakPolarHBondContact O-CB 3.48Å; V741-V766 PolarHBondContact O-N 3.25Å; V741-L767 HydrophobicContact CB-CB 3.95Å; V741-L767 HydrophobicContact CB-CD1 4.34Å; V741-L767 HydrophobicContact CB-CG 4.44Å; V741-L767 HydrophobicContact CG2-CB 4.12Å; V741-L767 HydrophobicContact CG2-CD1 4.03Å; V741-L767 PolarHBondContact N-O 2.96Å; V741-L767 PolarHBondContact O-N 3.45Å; V741-V777 HydrophobicContact CG2-CB 3.9Å; V741-V777 HydrophobicContact CG2-CG1 3.76Å; V741-V777 HydrophobicContact CG2-CG2 3.71Å; V741-V780 HydrophobicContact CG1-CG1 4.25Å; V741-V780 HydrophobicContact CG2-CG1 3.68Å
742	H	89	Confident	87.5	Confident	11 Å²	11	10.9 Å²	10.9	5%	0.051	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.5	173.1	-56	-94.9	0	0	0	109.1	I720 I733 F734 D736 A763 K764	I720-H742 VanDerWaalsContact CD1-CE1 3.41Å; I720-H742 WeakPolarHBondContact CD1-CE1 3.49Å; I733-H742 CarbonylContact C-O 3.54Å; I733-H742 WeakPolarHBondContact CA-O 3.26Å; F734-H742 HydrophobicContact CB-CB 4.44Å; F734-H742 HydrophobicContact CD2-CB 4.42Å; F734-H742 PolarHBondContact N-O 2.61Å; F734-H742 PolarHBondContact O-N 3.18Å; D736-H742 IonicContact OD2-CD2 3.58Å; D736-H742 IonicContact OD2-NE2 2.64Å; D736-H742 PolarHBondContact OD2-NE2 2.85Å; H742-A763 HydrophobicContact CB-CB 4.46Å; H742-K764 CarbonylContact C-O 3.5Å; H742-K764 WeakPolarHBondContact CA-O 3.38Å
743	A	90.4	Very high	87.6	Confident	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.5	-178	0	0	0	0	0	112.6	A732 I733 V752 A763 K764 V766	A732-A743 VanDerWaalsContact O-CA 3.27Å; A732-A743 WeakPolarHBondContact O-CA 3.02Å; I733-A743 HydrophobicContact CG1-CB 3.85Å; A743-V752 HydrophobicContact CB-CB 4.41Å; A743-V752 HydrophobicContact CB-CG1 3.44Å; A743-V752 VanDerWaalsContact CB-CG1 3.44Å; A743-A763 WeakPolarHBondContact O-CA 3.26Å; A743-K764 PolarHBondContact N-O 2.92Å; A743-K764 PolarHBondContact O-N 3.45Å; A743-V766 HydrophobicContact CB-CG2 3.65Å
744	V	88.9	Confident	87.5	Confident	4 Å²	4	12.3 Å²	12.3	2%	0.024	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	155.8	-173.9	71.9	0	0	0	0	111	C710 H731 A732 F734 I760 A763	C710-V744 HydrophobicContact CB-CG2 3.8Å; H731-V744 CarbonylContact C-O 3.55Å; H731-V744 WeakPolarHBondContact CA-O 3.42Å; H731-V744 WeakPolarHBondContact CB-O 3.34Å; A732-V744 HydrophobicContact CB-CG1 4.14Å; A732-V744 PolarHBondContact N-O 3.26Å; A732-V744 PolarHBondContact O-N 2.97Å; F734-V744 HydrophobicContact CE2-CB 4.38Å; F734-V744 HydrophobicContact CE2-CG1 3.63Å; F734-V744 HydrophobicContact CZ-CG1 3.9Å; V744-I760 HydrophobicContact CG2-CG2 4.45Å; V744-I760 WeakPolarHBondContact CG2-O 3.22Å; V744-A763 HydrophobicContact CB-CB 4.26Å
745	G	88.4	Confident	87.4	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-151.6	172.2	0	0	0	0	0	114.5	R730 N747 I760	R730-G745 WeakPolarHBondContact O-CA 3.19Å; G745-N747 PolarHBondContact O-N 2.91Å; G745-I760 WeakPolarHBondContact CA-O 3.48Å; G745-I760 PolarHBondContact N-O 2.75Å; G745-I760 PolarHBondContact O-N 3.01Å
746	D	88.6	Confident	87.1	Confident	24 Å²	24	23.9 Å²	23.9	13%	0.128	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130	-179	-180	19.5	0	0	0	111.4	R730 H748 Q751 V752 W759	R730-D746 HydrophobicContact CB-CB 3.62Å; R730-D746 PolarHBondContact O-N 2.94Å; D746-H748 WeakPolarHBondContact OD1-CB 3.37Å; D746-H748 PolarHBondContact OD1-N 2.84Å; D746-Q751 VanDerWaalsContact CG-NE2 3.28Å; D746-Q751 WeakPolarHBondContact O-CG 3.45Å; D746-Q751 PolarHBondContact O-NE2 3.04Å; D746-Q751 PolarHBondContact OD2-NE2 3.36Å; D746-Q751 VanDerWaalsContact OD2-NE2 3.15Å; D746-V752 WeakPolarHBondContact O-CG2 3.47Å; D746-W759 HydrophobicContact CB-CE3 4.03Å; D746-W759 HydrophobicContact CB-CZ3 3.82Å
747	N	92.8	Very high	87.3	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.137	C	C	.	.			trans	-128.7	21.2	-178.7	-163.6	46.9	0	0	0	112.4	G745 F749 G750 Q751 V752 V754 E757 S758 I760	G745-N747 PolarHBondContact O-N 2.91Å; N747-F749 PolarHBondContact O-N 3.26Å; N747-F749 VanDerWaalsContact O-N 3.17Å; N747-G750 PolarHBondContact O-N 2.82Å; N747-G750 WeakPolarHBondContact OD1-CA 3.39Å; N747-G750 PolarHBondContact OD1-O 3.45Å; N747-Q751 PolarHBondContact OD1-N 2.78Å; N747-V752 HydrophobicContact CB-CB 4.03Å; N747-V752 HydrophobicContact CB-CG2 3.68Å; N747-V752 WeakPolarHBondContact OD1-CA 3.39Å; N747-V752 VanDerWaalsContact OD1-CB 3.27Å; N747-V752 WeakPolarHBondContact OD1-CB 3.38Å; N747-V752 PolarHBondContact OD1-N 2.86Å; N747-V754 PolarHBondContact ND2-O 2.88Å; N747-E757 VanDerWaalsContact CB-O 3.31Å; N747-E757 WeakPolarHBondContact CB-O 3.38Å; N747-E757 PolarHBondContact ND2-O 2.94Å; N747-S758 CarbonylContact C-O 3.55Å; N747-S758 WeakPolarHBondContact CA-O 3.41Å; N747-S758 PolarHBondContact N-O 3.21Å; N747-I760 HydrophobicContact CB-CD1 4.33Å
748	H	91.1	Very high	87.8	Confident	119 Å²	119	31 Å²	31	55%	0.551	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.2	-179.1	-165	77.2	0	0	0	114.2	D746 S758	D746-H748 WeakPolarHBondContact OD1-CB 3.37Å; D746-H748 PolarHBondContact OD1-N 2.84Å; H748-S758 PolarHBondContact N-O 2.8Å
749	F	92.4	Very high	88.5	Confident	53 Å²	53	35 Å²	35	23%	0.232	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	8.1	176.2	-56.1	-73.3	0	0	0	112.8	N747 Y785 G800 W801	N747-F749 PolarHBondContact O-N 3.26Å; N747-F749 VanDerWaalsContact O-N 3.17Å; F749-Y785 AromaticContact CD2-CD1 3.96Å; F749-Y785 HydrophobicContact CD2-CD1 3.96Å; F749-Y785 HydrophobicContact CD2-CG 4.17Å; F749-Y785 AromaticContact CE2-CD1 3.9Å; F749-Y785 HydrophobicContact CE2-CD1 3.9Å; F749-Y785 HydrophobicContact CE2-CE1 4.36Å; F749-Y785 HydrophobicContact CE2-CG 4.22Å; F749-G800 CarbonylContact O-C 3.52Å; F749-G800 WeakPolarHBondContact O-CA 3.36Å; F749-W801 HydrophobicContact CB-CB 3.73Å; F749-W801 HydrophobicContact CB-CG 4.39Å; F749-W801 HydrophobicContact CD1-CB 4.29Å; F749-W801 AromaticContact CD1-CD1 3.47Å; F749-W801 VanDerWaalsContact CD1-CD1 3.47Å; F749-W801 HydrophobicContact CD1-CG 4.05Å; F749-W801 HydrophobicContact CD2-CB 4.4Å; F749-W801 AromaticContact CE1-CD1 3.82Å; F749-W801 HydrophobicContact CE1-CG 4.49Å; F749-W801 HydrophobicContact CG-CB 3.89Å; F749-W801 AromaticContact CG-CD1 3.96Å; F749-W801 HydrophobicContact CG-CG 4.08Å
750	G	92.7	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	80.9	14.6	-176	0	0	0	0	0	114.9	N747 V752 G753 W799	N747-G750 PolarHBondContact O-N 2.82Å; N747-G750 WeakPolarHBondContact OD1-CA 3.39Å; N747-G750 PolarHBondContact OD1-O 3.45Å; G750-V752 PolarHBondContact O-N 2.7Å; G750-G753 PolarHBondContact O-N 2.87Å; G750-W799 VanDerWaalsContact O-CD1 3.28Å
751	Q	93.7	Very high	88.6	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.3	-173.8	64.8	-90	33.9	0	0	115.3	H731 D746 N747 Y785 S787 W799	H731-Q751 HydrophobicContact CB-CG 4.17Å; D746-Q751 VanDerWaalsContact CG-NE2 3.28Å; D746-Q751 WeakPolarHBondContact O-CG 3.45Å; D746-Q751 PolarHBondContact O-NE2 3.04Å; D746-Q751 PolarHBondContact OD2-NE2 3.36Å; D746-Q751 VanDerWaalsContact OD2-NE2 3.15Å; N747-Q751 PolarHBondContact OD1-N 2.78Å; Q751-Y785 WeakPolarHBondContact CB-O 3.32Å; Q751-S787 PolarHBondContact O-OG 3.18Å; Q751-W799 PolarHBondContact O-NE1 3.03Å; Q751-W799 VanDerWaalsContact O-NE1 3.09Å
752	V	91.6	Very high	88.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.5	169.6	-174.8	0	0	0	0	110.2	H731 A743 D746 N747 G750 V754 I760 V766 W799	H731-V752 HydrophobicContact CB-CG2 4.27Å; A743-V752 HydrophobicContact CB-CB 4.41Å; A743-V752 HydrophobicContact CB-CG1 3.44Å; A743-V752 VanDerWaalsContact CB-CG1 3.44Å; D746-V752 WeakPolarHBondContact O-CG2 3.47Å; N747-V752 HydrophobicContact CB-CB 4.03Å; N747-V752 HydrophobicContact CB-CG2 3.68Å; N747-V752 WeakPolarHBondContact OD1-CA 3.39Å; N747-V752 VanDerWaalsContact OD1-CB 3.27Å; N747-V752 WeakPolarHBondContact OD1-CB 3.38Å; N747-V752 PolarHBondContact OD1-N 2.86Å; G750-V752 PolarHBondContact O-N 2.7Å; V752-V754 HydrophobicContact CG1-CG2 4.43Å; V752-I760 HydrophobicContact CB-CD1 3.82Å; V752-I760 HydrophobicContact CG1-CB 4.47Å; V752-I760 HydrophobicContact CG1-CD1 3.47Å; V752-I760 VanDerWaalsContact CG1-CD1 3.47Å; V752-I760 HydrophobicContact CG1-CG1 4.48Å; V752-I760 HydrophobicContact CG2-CD1 4.23Å; V752-V766 WeakPolarHBondContact O-CG2 3.34Å; V752-W799 PolarHBondContact O-NE1 3.06Å
753	G	91.6	Very high	87.8	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.021	22%	0.222	C	C	.	.	S	Bend	trans	95.7	17.5	176.7	0	0	0	0	0	114.6	G750 Y816	G750-G753 PolarHBondContact O-N 2.87Å; G753-Y816 CarbonylContact C-O 3.59Å; G753-Y816 VanDerWaalsContact CA-O 3.27Å; G753-Y816 WeakPolarHBondContact CA-O 3.37Å
754	V	89.2	Confident	87.6	Confident	28 Å²	28	46.2 Å²	46.2	17%	0.17	24%	0.237	C	C	.	.			trans	-115.2	144.6	175.9	-174.2	0	0	0	0	109	N747 V752 I760 K764 V766 Y816	N747-V754 PolarHBondContact ND2-O 2.88Å; V752-V754 HydrophobicContact CG1-CG2 4.43Å; V754-I760 HydrophobicContact CB-CD1 3.84Å; V754-I760 HydrophobicContact CG1-CD1 4.5Å; V754-I760 HydrophobicContact CG2-CD1 4Å; V754-K764 HydrophobicContact CG1-CD 4.42Å; V754-K764 HydrophobicContact CG2-CB 4.2Å; V754-V766 HydrophobicContact CG2-CG2 4.27Å; V754-Y816 PolarHBondContact N-O 2.65Å
755	E	86.8	Confident	87.5	Confident	86 Å²	86	50.1 Å²	50.1	40%	0.402	26%	0.258	S	S	.	.	S	Bend	trans	-81.5	159.1	177.8	-65.6	173.6	-159.9	0	0	111.8	E757 R769 I817	E755-E757 VanDerWaalsContact C-N 3.31Å; E755-E757 PolarHBondContact O-N 2.92Å; E755-R769 IonicContact OE1-CZ 2.91Å; E755-R769 IonicContact OE1-NH1 2.95Å; E755-R769 IonicContact OE1-NH2 2.82Å; E755-R769 PolarHBondContact OE1-NH2 3.25Å; E755-I817 HydrophobicContact CG-CG2 3.48Å; E755-I817 VanDerWaalsContact CG-CG2 3.48Å; E755-I817 VanDerWaalsContact OE1-CG2 3.27Å; E755-I817 WeakPolarHBondContact OE1-CG2 3.25Å
756	N	80.8	Confident	87.5	Confident	159 Å²	159	50.5 Å²	50.5	85%	0.85	26%	0.26	S	S	*	.	S	Bend	trans	66.3	13	165	-55.2	-37	0	0	0	118
757	E	82.8	Confident	87.4	Confident	77 Å²	77	49.4 Å²	49.4	36%	0.36	25%	0.254	S	S	.	.			trans	-135.9	132.2	176.2	-68.1	178.4	175.8	0	0	110.8	N747 E755 I760 K764	N747-E757 VanDerWaalsContact CB-O 3.31Å; N747-E757 WeakPolarHBondContact CB-O 3.38Å; N747-E757 PolarHBondContact ND2-O 2.94Å; E755-E757 VanDerWaalsContact C-N 3.31Å; E755-E757 PolarHBondContact O-N 2.92Å; E757-I760 HydrophobicContact CB-CG1 4.25Å; E757-I760 WeakPolarHBondContact OE2-CG1 3.23Å; E757-K764 IonicContact OE1-NZ 2.64Å; E757-K764 PolarHBondContact OE1-NZ 3.29Å; E757-K764 WeakPolarHBondContact OE2-CE 3.3Å; E757-K764 IonicContact OE2-NZ 3.52Å; E757-K764 PolarHBondContact OE2-NZ 2.74Å
758	S	85	Confident	86.9	Confident	78 Å²	78	50.6 Å²	50.6	55%	0.545	26%	0.262	S	S	.	.	S	Bend	trans	-86.7	-21.7	177.7	57.3	0	0	0	0	113.2	N747 H748	N747-S758 CarbonylContact C-O 3.55Å; N747-S758 WeakPolarHBondContact CA-O 3.41Å; N747-S758 PolarHBondContact N-O 3.21Å; H748-S758 PolarHBondContact N-O 2.8Å
759	W	86.9	Confident	86.3	Confident	86 Å²	86	48.9 Å²	48.9	33%	0.326	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131.6	179.8	-176.8	-89.6	0	0	0	110.3	N708 C710 D746	N708-W759 HydrophobicContact CB-CH2 3.36Å; N708-W759 HydrophobicContact CB-CZ2 3.2Å; N708-W759 HydrophobicContact CB-CZ3 4.48Å; N708-W759 WeakPolarHBondContact ND2-CH2 3.45Å; C710-W759 WeakPolarHBondContact SG-CZ2 3.19Å; D746-W759 HydrophobicContact CB-CE3 4.03Å; D746-W759 HydrophobicContact CB-CZ3 3.82Å
760	I	87	Confident	85.2	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107.5	-178.1	-68.3	174.9	0	0	0	108	V744 G745 N747 V752 V754 E757 E762 K764	V744-I760 HydrophobicContact CG2-CG2 4.45Å; V744-I760 WeakPolarHBondContact CG2-O 3.22Å; G745-I760 WeakPolarHBondContact CA-O 3.48Å; G745-I760 PolarHBondContact N-O 2.75Å; G745-I760 PolarHBondContact O-N 3.01Å; N747-I760 HydrophobicContact CB-CD1 4.33Å; V752-I760 HydrophobicContact CB-CD1 3.82Å; V752-I760 HydrophobicContact CG1-CB 4.47Å; V752-I760 HydrophobicContact CG1-CD1 3.47Å; V752-I760 VanDerWaalsContact CG1-CD1 3.47Å; V752-I760 HydrophobicContact CG1-CG1 4.48Å; V752-I760 HydrophobicContact CG2-CD1 4.23Å; V754-I760 HydrophobicContact CB-CD1 3.84Å; V754-I760 HydrophobicContact CG1-CD1 4.5Å; V754-I760 HydrophobicContact CG2-CD1 4Å; E757-I760 HydrophobicContact CB-CG1 4.25Å; E757-I760 WeakPolarHBondContact OE2-CG1 3.23Å; I760-E762 WeakPolarHBondContact CG2-O 3.43Å; I760-K764 HydrophobicContact CD1-CD 4.44Å; I760-K764 HydrophobicContact CG2-CD 4.24Å; I760-K764 HydrophobicContact CG2-CG 4.07Å
761	A	81.1	Confident	84.1	Confident	44 Å²	44	58 Å²	58	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-31	-178.3	0	0	0	0	0	113.2	C710 S711	C710-A761 CarbonylContact C-O 3.57Å; C710-A761 VanDerWaalsContact CA-O 3.28Å; C710-A761 WeakPolarHBondContact CA-O 3.37Å; S711-A761 PolarHBondContact N-O 2.65Å
762	E	79.2	Confident	83.3	Confident	120 Å²	120	58.6 Å²	58.6	56%	0.561	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	138	177.1	-66.7	-179.7	177.5	0	0	110	I760 K764	I760-E762 WeakPolarHBondContact CG2-O 3.43Å; E762-K764 PolarHBondContact O-N 2.75Å
763	A	82.8	Confident	82.4	Confident	14 Å²	14	62 Å²	62	12%	0.116	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	125	-178.2	0	0	0	0	0	111.5	L712 V714 F734 H742 A743 V744	L712-A763 HydrophobicContact CD1-CB 4.31Å; L712-A763 HydrophobicContact CG-CB 4.28Å; V714-A763 HydrophobicContact CG2-CB 3.91Å; F734-A763 HydrophobicContact CD2-CB 4.39Å; F734-A763 HydrophobicContact CE2-CB 4.3Å; H742-A763 HydrophobicContact CB-CB 4.46Å; A743-A763 WeakPolarHBondContact O-CA 3.26Å; V744-A763 HydrophobicContact CB-CB 4.26Å
764	K	85.7	Confident	81.5	Confident	73 Å²	73	67.7 Å²	67.7	32%	0.317	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.3	-179.6	-70.7	-171.9	174.6	-174.5	0	111.7	H742 A743 V754 E757 I760 E762 V766	H742-K764 CarbonylContact C-O 3.5Å; H742-K764 WeakPolarHBondContact CA-O 3.38Å; A743-K764 PolarHBondContact N-O 2.92Å; A743-K764 PolarHBondContact O-N 3.45Å; V754-K764 HydrophobicContact CG1-CD 4.42Å; V754-K764 HydrophobicContact CG2-CB 4.2Å; E757-K764 IonicContact OE1-NZ 2.64Å; E757-K764 PolarHBondContact OE1-NZ 3.29Å; E757-K764 WeakPolarHBondContact OE2-CE 3.3Å; E757-K764 IonicContact OE2-NZ 3.52Å; E757-K764 PolarHBondContact OE2-NZ 2.74Å; I760-K764 HydrophobicContact CD1-CD 4.44Å; I760-K764 HydrophobicContact CG2-CD 4.24Å; I760-K764 HydrophobicContact CG2-CG 4.07Å; E762-K764 PolarHBondContact O-N 2.75Å; K764-V766 PolarHBondContact O-N 2.96Å
765	L	86.8	Confident	81.3	Confident	86 Å²	86	68.5 Å²	68.5	45%	0.45	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.6	172.3	-176.5	69.6	0	0	0	110.5	M740 L767	M740-L765 HydrophobicContact CB-CD1 3.72Å; M740-L765 HydrophobicContact CG-CD1 4.4Å; M740-L765 HydrophobicContact SD-CD1 3.89Å; L765-L767 WeakPolarHBondContact CD1-O 3.19Å
766	V	88.6	Confident	81.2	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-42.9	-177	-179.8	0	0	0	0	111.4	V741 A743 V752 V754 K764 W799 P818	V741-V766 HydrophobicContact CG1-CB 4.38Å; V741-V766 WeakPolarHBondContact O-CB 3.48Å; V741-V766 PolarHBondContact O-N 3.25Å; A743-V766 HydrophobicContact CB-CG2 3.65Å; V752-V766 WeakPolarHBondContact O-CG2 3.34Å; V754-V766 HydrophobicContact CG2-CG2 4.27Å; K764-V766 PolarHBondContact O-N 2.96Å; V766-W799 HydrophobicContact CG1-CZ2 4.24Å; V766-P818 HydrophobicContact CG1-CG 3.43Å; V766-P818 VanDerWaalsContact CG1-CG 3.43Å
767	L	87.6	Confident	81.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.7	173.3	-69	168.6	0	0	0	109.1	M740 V741 L765 R769 L772 V777 A789 V797 W799 P818	M740-L767 CarbonylContact C-O 3.49Å; M740-L767 VanDerWaalsContact CA-O 3.26Å; M740-L767 WeakPolarHBondContact CA-O 3.28Å; M740-L767 VanDerWaalsContact CB-O 3.23Å; M740-L767 WeakPolarHBondContact CB-O 3.43Å; V741-L767 HydrophobicContact CB-CB 3.95Å; V741-L767 HydrophobicContact CB-CD1 4.34Å; V741-L767 HydrophobicContact CB-CG 4.44Å; V741-L767 HydrophobicContact CG2-CB 4.12Å; V741-L767 HydrophobicContact CG2-CD1 4.03Å; V741-L767 PolarHBondContact N-O 2.96Å; V741-L767 PolarHBondContact O-N 3.45Å; L765-L767 WeakPolarHBondContact CD1-O 3.19Å; L767-R769 HydrophobicContact CD2-CB 4.45Å; L767-L772 HydrophobicContact CD2-CB 4.29Å; L767-L772 HydrophobicContact CD2-CD1 3.76Å; L767-V777 HydrophobicContact CB-CG2 4.09Å; L767-V777 HydrophobicContact CD1-CG2 3.67Å; L767-A789 HydrophobicContact CD1-CB 4.12Å; L767-V797 HydrophobicContact CD1-CG2 3.99Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; L767-P818 HydrophobicContact CD1-CB 4.39Å; L767-P818 HydrophobicContact CD1-CG 4.45Å; L767-P818 HydrophobicContact CD2-CB 3.79Å; L767-P818 HydrophobicContact CD2-CG 3.9Å; L767-P818 HydrophobicContact CG-CB 4.24Å; L767-P818 HydrophobicContact CG-CG 4Å
768	P	81.2	Confident	81.8	Confident	26 Å²	26	55.7 Å²	55.7	17%	0.169	29%	0.294	C	S	.	.	S	Bend	cis	-74.1	155.2	2.7	29.9	-34.9	0	0	0	113.2	I663 I773	I663-P768 HydrophobicContact CD1-CG 3.84Å; I663-P768 HydrophobicContact CG1-CG 4.25Å; P768-I773 HydrophobicContact CB-CB 4.5Å; P768-I773 HydrophobicContact CB-CG1 4.45Å; P768-I773 HydrophobicContact CB-CG2 4.48Å
769	R	78.2	Confident	82.1	Confident	84 Å²	84	53.7 Å²	53.7	32%	0.317	28%	0.276	S	S	.	.			trans	-128.3	159.6	173.5	-171.5	171.7	176.9	145	-7.2	109.3	E755 L767 G771 L772 I773	E755-R769 IonicContact OE1-CZ 2.91Å; E755-R769 IonicContact OE1-NH1 2.95Å; E755-R769 IonicContact OE1-NH2 2.82Å; E755-R769 PolarHBondContact OE1-NH2 3.25Å; L767-R769 HydrophobicContact CD2-CB 4.45Å; R769-G771 PolarHBondContact O-N 3.44Å; R769-L772 CarbonylContact O-C 3.56Å; R769-L772 WeakPolarHBondContact O-CA 3.18Å; R769-L772 WeakPolarHBondContact O-CB 3.29Å; R769-L772 PolarHBondContact O-N 3.25Å; R769-I773 WeakPolarHBondContact O-CG1 3.45Å; R769-I773 PolarHBondContact O-N 3.1Å
770	Q	70.2	Confident	82.5	Confident	177 Å²	177	50 Å²	50	83%	0.827	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	130.1	174.2	-74.2	177.6	-9.7	0	0	111.6	L772 I773	Q770-L772 VanDerWaalsContact C-N 3.31Å; Q770-I773 HydrophobicContact CG-CD1 4.45Å
771	G	68.7	Low	82.8	Confident	66 Å²	66	50.4 Å²	50.4	68%	0.68	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-11.4	-172.5	0	0	0	0	0	115.4	R769 M820	R769-G771 PolarHBondContact O-N 3.44Å; G771-M820 WeakPolarHBondContact O-CE 3.39Å
772	L	78.4	Confident	83.4	Confident	14 Å²	14	49 Å²	49	7%	0.073	25%	0.253	C	S	.	.			trans	-125.3	13.7	179.5	-69.5	166.6	0	0	0	112.5	L767 R769 Q770 E774 L791 V797 P818 M820	L767-L772 HydrophobicContact CD2-CB 4.29Å; L767-L772 HydrophobicContact CD2-CD1 3.76Å; R769-L772 CarbonylContact O-C 3.56Å; R769-L772 WeakPolarHBondContact O-CA 3.18Å; R769-L772 WeakPolarHBondContact O-CB 3.29Å; R769-L772 PolarHBondContact O-N 3.25Å; Q770-L772 VanDerWaalsContact C-N 3.31Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 2.6Å; L772-L791 HydrophobicContact CD2-CD1 3.59Å; L772-V797 HydrophobicContact CD1-CG1 3.88Å; L772-V797 HydrophobicContact CD2-CG1 3.67Å; L772-V797 HydrophobicContact CG-CG1 4.48Å; L772-P818 HydrophobicContact CD1-CB 4.33Å; L772-M820 HydrophobicContact CD2-CE 3.19Å; L772-M820 HydrophobicContact CD2-CG 3.84Å; L772-M820 HydrophobicContact CD2-SD 4.32Å; L772-M820 HydrophobicContact CG-CE 4.04Å
773	I	72.1	Confident	84	Confident	73 Å²	73	43.6 Å²	43.6	37%	0.374	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.5	-175.8	-45.7	179.4	0	0	0	111.7	I663 Y667 P768 R769 Q770	I663-I773 HydrophobicContact CG2-CG2 4.47Å; Y667-I773 WeakPolarHBondContact CD2-O 3.45Å; P768-I773 HydrophobicContact CB-CB 4.5Å; P768-I773 HydrophobicContact CB-CG1 4.45Å; P768-I773 HydrophobicContact CB-CG2 4.48Å; R769-I773 WeakPolarHBondContact O-CG1 3.45Å; R769-I773 PolarHBondContact O-N 3.1Å; Q770-I773 HydrophobicContact CG-CD1 4.45Å
774	E	73.5	Confident	84.3	Confident	121 Å²	121	43.1 Å²	43.1	57%	0.565	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.6	-172.1	-67	-174.8	-169.4	0	0	114.6	R670 L772	R670-E774 VanDerWaalsContact CD-O 3.29Å; R670-E774 WeakPolarHBondContact CD-O 3.34Å; R670-E774 PolarHBondContact NH1-O 3.18Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 2.6Å
775	F	83.1	Confident	84.6	Confident	45 Å²	45	41.9 Å²	41.9	20%	0.197	22%	0.219	C	C	.	.	S	Bend	trans	-133.2	128.9	-172.7	-62.2	-80	0	0	0	111.1	Y667 L791 N793	Y667-F775 VanDerWaalsContact CE2-C 3.5Å; F775-L791 HydrophobicContact CB-CB 3.99Å; F775-L791 HydrophobicContact CB-CD1 4.31Å; F775-N793 HydrophobicContact CD1-CB 3.68Å; F775-N793 HydrophobicContact CD2-CB 4.37Å; F775-N793 WeakPolarHBondContact CD2-ND2 3.35Å; F775-N793 HydrophobicContact CE1-CB 3.64Å; F775-N793 HydrophobicContact CE2-CB 4.36Å; F775-N793 WeakPolarHBondContact CE2-ND2 3.28Å; F775-N793 HydrophobicContact CG-CB 4.04Å; F775-N793 HydrophobicContact CZ-CB 3.99Å
776	P	85.2	Confident	85	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.			trans	-68.1	153.6	174.5	21	-23.7	0	0	0	111.2	Y667 R670 R671 C674 L791 A792	Y667-P776 HydrophobicContact CD2-CB 4.45Å; Y667-P776 HydrophobicContact CE1-CB 4.14Å; Y667-P776 HydrophobicContact CE2-CB 3.81Å; Y667-P776 HydrophobicContact CE2-CG 4.41Å; Y667-P776 VanDerWaalsContact CE2-N 3.32Å; R670-P776 HydrophobicContact CB-CG 4.32Å; R671-P776 VanDerWaalsContact CA-CG 3.49Å; R671-P776 HydrophobicContact CB-CB 4.38Å; R671-P776 HydrophobicContact CB-CG 4Å; C674-P776 HydrophobicContact CB-CG 4.2Å; P776-L791 CarbonylContact O-C 3.39Å; P776-L791 WeakPolarHBondContact O-CA 3.38Å; P776-A792 HydrophobicContact CG-CB 4.01Å; P776-A792 WeakPolarHBondContact O-CB 3.42Å; P776-A792 PolarHBondContact O-N 3.33Å
777	V	89.5	Confident	85.4	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.4	175.9	178.4	0	0	0	0	109.9	L735 G739 V741 L767 K779 V780 A789 L791	L735-V777 HydrophobicContact CD1-CB 3.68Å; L735-V777 HydrophobicContact CD1-CG1 3.79Å; L735-V777 HydrophobicContact CD2-CG1 4.29Å; G739-V777 WeakPolarHBondContact O-CB 3.47Å; G739-V777 WeakPolarHBondContact O-CG2 3.3Å; G739-V777 PolarHBondContact O-N 3.2Å; V741-V777 HydrophobicContact CG2-CB 3.9Å; V741-V777 HydrophobicContact CG2-CG1 3.76Å; V741-V777 HydrophobicContact CG2-CG2 3.71Å; L767-V777 HydrophobicContact CB-CG2 4.09Å; L767-V777 HydrophobicContact CD1-CG2 3.67Å; V777-K779 WeakPolarHBondContact CG1-O 3.31Å; V777-V780 HydrophobicContact CG1-CG1 3.9Å; V777-A789 HydrophobicContact CG1-CB 3.84Å; V777-L791 HydrophobicContact CG2-CD2 3.85Å
778	K	87	Confident	85.9	Confident	46 Å²	46	37.4 Å²	37.4	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-38	-179.3	-170.9	179.7	178.5	169	0	112.3	C674 T678 I790	C674-K778 VanDerWaalsContact SG-CA 3.59Å; C674-K778 VanDerWaalsContact SG-CB 3.6Å; T678-K778 HydrophobicContact CG2-CB 4.24Å; T678-K778 HydrophobicContact CG2-CD 3.87Å; T678-K778 VanDerWaalsContact CG2-CE 3.41Å; T678-K778 HydrophobicContact CG2-CG 3.06Å; T678-K778 WeakPolarHBondContact CG2-O 3.41Å; K778-I790 WeakPolarHBondContact CA-O 3.38Å; K778-I790 WeakPolarHBondContact CB-O 3.34Å; K778-I790 PolarHBondContact N-O 3.04Å
779	K	91.9	Very high	86.6	Confident	36 Å²	36	36.2 Å²	36.2	16%	0.157	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	146	-175.5	-173.9	165.7	-173.1	160.7	0	111.4	V777 A789 I790 D833	V777-K779 WeakPolarHBondContact CG1-O 3.31Å; K779-A789 CarbonylContact O-C 3.55Å; K779-A789 WeakPolarHBondContact O-CA 3.38Å; K779-A789 WeakPolarHBondContact O-CB 3.38Å; K779-I790 HydrophobicContact CB-CB 4.24Å; K779-I790 HydrophobicContact CB-CD1 4.5Å; K779-I790 PolarHBondContact N-O 3.3Å; K779-I790 PolarHBondContact O-N 2.87Å; K779-D833 WeakPolarHBondContact CE-OD1 3.48Å; K779-D833 IonicContact NZ-OD1 3.64Å; K779-D833 PolarHBondContact NZ-OD1 2.83Å; K779-D833 IonicContact NZ-OD2 3.18Å; K779-D833 PolarHBondContact NZ-OD2 3.47Å
780	V	94.3	Very high	87.3	Confident	8 Å²	8	32.2 Å²	32.2	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.8	172.5	-66	0	0	0	0	111.1	Q724 A726 I733 L735 V741 V777 A788 A789	Q724-V780 HydrophobicContact CB-CG2 4.08Å; A726-V780 HydrophobicContact CB-CG2 4.37Å; I733-V780 HydrophobicContact CG2-CB 3.93Å; I733-V780 HydrophobicContact CG2-CG1 3.98Å; I733-V780 HydrophobicContact CG2-CG2 4.22Å; L735-V780 HydrophobicContact CB-CG1 4.03Å; L735-V780 HydrophobicContact CB-CG2 3.92Å; V741-V780 HydrophobicContact CG1-CG1 4.25Å; V741-V780 HydrophobicContact CG2-CG1 3.68Å; V777-V780 HydrophobicContact CG1-CG1 3.9Å; V780-A788 WeakPolarHBondContact CA-O 3.38Å; V780-A789 HydrophobicContact CG1-CB 4.14Å
781	T	94.7	Very high	88.4	Confident	11 Å²	11	23.9 Å²	23.9	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.4	172.3	-173.8	0	0	0	0	110.8	A788 V834 Q835 C836	T781-A788 HydrophobicContact CG2-CB 3.78Å; T781-A788 PolarHBondContact N-O 3.25Å; T781-A788 PolarHBondContact O-N 2.8Å; T781-V834 HydrophobicContact CG2-CG1 3.81Å; T781-V834 HydrophobicContact CG2-CG2 4.31Å; T781-V834 WeakPolarHBondContact CG2-O 3.44Å; T781-Q835 PolarHBondContact OG1-OE1 3.3Å; T781-C836 HydrophobicContact CG2-CB 4.18Å; T781-C836 VanDerWaalsContact CG2-SG 3.59Å
782	C	92.7	Very high	89.2	Confident	14 Å²	14	22.3 Å²	22.3	10%	0.095	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.1	173.4	-62.7	0	0	0	0	109.8	A726	A726-C782 HydrophobicContact CB-CB 4.28Å; A726-C782 VanDerWaalsContact CB-SG 3.59Å
783	G	91.3	Very high	89.6	Confident	6 Å²	6	23.6 Å²	23.6	6%	0.062	12%	0.121	C	C	.	.			trans	-97	-160	162.2	0	0	0	0	0	111	G728 H731 H786 C836 G837	G728-G783 WeakPolarHBondContact CA-O 3.48Å; H731-G783 PolarHBondContact CE1-O 2.84Å; G783-H786 WeakPolarHBondContact CA-O 3.44Å; G783-H786 PolarHBondContact N-O 3.14Å; G783-C836 VanDerWaalsContact CA-CB 3.44Å; G783-G837 VanDerWaalsContact CA-O 3.22Å; G783-G837 WeakPolarHBondContact CA-O 3.5Å
784	A	89.4	Confident	90.4	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	11%	0.107	C	C	.	.	S	Bend	trans	-65.4	-50.4	174.8	0	0	0	0	0	111.8	L687 F729 G837 Y838	L687-A784 HydrophobicContact CD1-CB 4.25Å; F729-A784 WeakPolarHBondContact CB-O 3.5Å; F729-A784 PolarHBondContact N-O 2.95Å; A784-G837 PolarHBondContact N-O 2.98Å; A784-G837 VanDerWaalsContact N-O 3.08Å; A784-Y838 HydrophobicContact CB-CD2 3.66Å; A784-Y838 HydrophobicContact CB-CE2 4.35Å; A784-Y838 HydrophobicContact CB-CG 4.42Å
785	Y	93	Very high	91.4	Very high	48 Å²	48	15.7 Å²	15.7	19%	0.188	9%	0.086	C	C	.	.	S	Bend	trans	-135.6	21	-173.6	-53.9	-73.5	0	0	0	113.1	F729 F749 Q751 W801 Y838	F729-Y785 HydrophobicContact CB-CE1 4.41Å; F729-Y785 AromaticContact CD1-CE1 3.59Å; F729-Y785 HydrophobicContact CD1-CE1 3.59Å; F729-Y785 AromaticContact CD1-CZ 3.96Å; F729-Y785 HydrophobicContact CE1-CE1 4.26Å; F729-Y785 HydrophobicContact CG-CE1 4.3Å; F749-Y785 AromaticContact CD2-CD1 3.96Å; F749-Y785 HydrophobicContact CD2-CD1 3.96Å; F749-Y785 HydrophobicContact CD2-CG 4.17Å; F749-Y785 AromaticContact CE2-CD1 3.9Å; F749-Y785 HydrophobicContact CE2-CD1 3.9Å; F749-Y785 HydrophobicContact CE2-CE1 4.36Å; F749-Y785 HydrophobicContact CE2-CG 4.22Å; Q751-Y785 WeakPolarHBondContact CB-O 3.32Å; Y785-W801 AromaticContact CD2-CE3 3.87Å; Y785-W801 HydrophobicContact CD2-CE3 3.87Å; Y785-W801 HydrophobicContact CD2-CZ3 4.15Å; Y785-W801 HydrophobicContact CG-CE3 4.4Å; Y785-W801 WeakPolarHBondContact O-CB 3.35Å; Y785-W801 PolarHBondContact O-N 2.8Å; Y785-Y838 HydrophobicContact CD2-CE2 4.36Å; Y785-Y838 HydrophobicContact CE2-CD2 4.37Å; Y785-Y838 AromaticContact CE2-CE2 3.71Å; Y785-Y838 HydrophobicContact CE2-CE2 3.71Å
786	H	95.3	Very high	92	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	165.2	178.2	68.9	-75.3	0	0	0	109.9	G783 W799 L807 C836 G837 T841	G783-H786 WeakPolarHBondContact CA-O 3.44Å; G783-H786 PolarHBondContact N-O 3.14Å; H786-W799 CarbonylContact C-O 3.53Å; H786-W799 WeakPolarHBondContact CA-O 3.33Å; H786-W799 WeakPolarHBondContact CB-O 3.37Å; H786-L807 HydrophobicContact CB-CD2 3.74Å; H786-C836 PolarHBondContact CD2-SG 3.21Å; H786-C836 WeakPolarHBondContact NE2-CB 3.47Å; H786-C836 PolarHBondContact NE2-SG 3.41Å; H786-G837 PolarHBondContact CE1-O 3.27Å; H786-G837 VanDerWaalsContact CE1-O 3.26Å; H786-T841 PolarHBondContact NE2-OG1 3.41Å
787	S	96.5	Very high	92.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.1	-170.5	-62.5	0	0	0	0	110	H731 I733 Q751 T798 W799	H731-S787 PolarHBondContact NE2-OG 2.7Å; I733-S787 WeakPolarHBondContact CD1-OG 3.2Å; Q751-S787 PolarHBondContact O-OG 3.18Å; S787-T798 WeakPolarHBondContact O-CA 3.36Å; S787-W799 PolarHBondContact N-O 2.87Å; S787-W799 PolarHBondContact O-N 3.48Å
788	A	97.2	Very high	92.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.1	176	0	0	0	0	0	111.4	V780 T781 V797 T798 V834	V780-A788 WeakPolarHBondContact CA-O 3.38Å; T781-A788 HydrophobicContact CG2-CB 3.78Å; T781-A788 PolarHBondContact N-O 3.25Å; T781-A788 PolarHBondContact O-N 2.8Å; A788-V797 CarbonylContact C-O 3.55Å; A788-V797 VanDerWaalsContact CA-O 3.28Å; A788-V797 WeakPolarHBondContact CA-O 3.47Å; A788-T798 HydrophobicContact CB-CG2 3.87Å; A788-V834 HydrophobicContact CB-CG1 4.11Å; A788-V834 HydrophobicContact CB-CG2 3.77Å
789	A	96	Very high	93.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.4	172.4	0	0	0	0	0	111.1	L767 V777 K779 V780 V796 V797 W799	L767-A789 HydrophobicContact CD1-CB 4.12Å; V777-A789 HydrophobicContact CG1-CB 3.84Å; K779-A789 CarbonylContact O-C 3.55Å; K779-A789 WeakPolarHBondContact O-CA 3.38Å; K779-A789 WeakPolarHBondContact O-CB 3.38Å; V780-A789 HydrophobicContact CG1-CB 4.14Å; A789-V796 WeakPolarHBondContact O-CA 3.37Å; A789-V796 WeakPolarHBondContact O-CG2 3.27Å; A789-V797 HydrophobicContact CB-CG2 3.86Å; A789-V797 PolarHBondContact N-O 2.96Å; A789-V797 WeakPolarHBondContact O-CG2 3.27Å; A789-V797 PolarHBondContact O-N 3.42Å; A789-W799 HydrophobicContact CB-CH2 3.91Å; A789-W799 HydrophobicContact CB-CZ3 3.95Å
790	I	94.6	Very high	93.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.2	173.9	-61.3	175.2	0	0	0	107.9	K778 K779 T795 V796 L831 D833 V834	K778-I790 WeakPolarHBondContact CA-O 3.38Å; K778-I790 WeakPolarHBondContact CB-O 3.34Å; K778-I790 PolarHBondContact N-O 3.04Å; K779-I790 HydrophobicContact CB-CB 4.24Å; K779-I790 HydrophobicContact CB-CD1 4.5Å; K779-I790 PolarHBondContact N-O 3.3Å; K779-I790 PolarHBondContact O-N 2.87Å; I790-T795 CarbonylContact C-O 3.54Å; I790-T795 WeakPolarHBondContact CA-O 3.24Å; I790-V796 HydrophobicContact CG1-CB 4.45Å; I790-V796 HydrophobicContact CG1-CG2 4.27Å; I790-L831 HydrophobicContact CD1-CB 4.22Å; I790-D833 VanDerWaalsContact CD1-C 3.46Å; I790-V834 HydrophobicContact CD1-CB 3.97Å; I790-V834 HydrophobicContact CD1-CG1 3.67Å; I790-V834 HydrophobicContact CG1-CB 4.21Å; I790-V834 HydrophobicContact CG1-CG1 3.61Å
791	L	92.2	Very high	93.7	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	162.6	173.3	-54.8	-178.5	0	0	0	111.1	L772 F775 P776 V777 N793 G794 T795	L772-L791 HydrophobicContact CD2-CD1 3.59Å; F775-L791 HydrophobicContact CB-CB 3.99Å; F775-L791 HydrophobicContact CB-CD1 4.31Å; P776-L791 CarbonylContact O-C 3.39Å; P776-L791 WeakPolarHBondContact O-CA 3.38Å; V777-L791 HydrophobicContact CG2-CD2 3.85Å; L791-N793 VanDerWaalsContact CB-OD1 3.29Å; L791-N793 WeakPolarHBondContact CB-OD1 3.32Å; L791-N793 PolarHBondContact O-N 3.45Å; L791-N793 VanDerWaalsContact O-N 3.12Å; L791-G794 PolarHBondContact O-N 3.13Å; L791-T795 HydrophobicContact CD1-CG2 4.34Å; L791-T795 PolarHBondContact N-O 3.17Å
792	A	85.8	Confident	93.8	Very high	34 Å²	34	9.9 Å²	9.9	28%	0.281	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.4	-179.1	0	0	0	0	0	114.2	C674 P776 G794	C674-A792 HydrophobicContact CB-CB 3.8Å; P776-A792 HydrophobicContact CG-CB 4.01Å; P776-A792 WeakPolarHBondContact O-CB 3.42Å; P776-A792 PolarHBondContact O-N 3.33Å; A792-G794 VanDerWaalsContact C-N 3.26Å; A792-G794 PolarHBondContact O-N 3.22Å
793	N	86.1	Confident	93.9	Very high	41 Å²	41	12.4 Å²	12.4	22%	0.219	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.5	175.9	67.8	-9.6	0	0	0	114.2	F775 L791 T795	F775-N793 HydrophobicContact CD1-CB 3.68Å; F775-N793 HydrophobicContact CD2-CB 4.37Å; F775-N793 WeakPolarHBondContact CD2-ND2 3.35Å; F775-N793 HydrophobicContact CE1-CB 3.64Å; F775-N793 HydrophobicContact CE2-CB 4.36Å; F775-N793 WeakPolarHBondContact CE2-ND2 3.28Å; F775-N793 HydrophobicContact CG-CB 4.04Å; F775-N793 HydrophobicContact CZ-CB 3.99Å; L791-N793 VanDerWaalsContact CB-OD1 3.29Å; L791-N793 WeakPolarHBondContact CB-OD1 3.32Å; L791-N793 PolarHBondContact O-N 3.45Å; L791-N793 VanDerWaalsContact O-N 3.12Å; N793-T795 PolarHBondContact ND2-OG1 2.94Å; N793-T795 VanDerWaalsContact OD1-CB 3.27Å; N793-T795 WeakPolarHBondContact OD1-CB 3.48Å; N793-T795 PolarHBondContact OD1-N 3.4Å; N793-T795 PolarHBondContact OD1-OG1 3.01Å; N793-T795 VanDerWaalsContact OD1-OG1 3.09Å
794	G	90.2	Very high	94.1	Very high	8 Å²	8	14.6 Å²	14.6	8%	0.082	8%	0.081	C	C	.	.	S	Bend	trans	87.6	0.9	-176.7	0	0	0	0	0	114.8	L791 A792 L831	L791-G794 PolarHBondContact O-N 3.13Å; A792-G794 VanDerWaalsContact C-N 3.26Å; A792-G794 PolarHBondContact O-N 3.22Å; G794-L831 PolarHBondContact O-N 2.84Å
795	T	92.9	Very high	94.4	Very high	20 Å²	20	14.4 Å²	14.4	12%	0.123	8%	0.08	C	C	.	.			trans	-69.4	135.2	172.3	-57.8	0	0	0	0	110.2	I790 L791 N793 M820 V825	I790-T795 CarbonylContact C-O 3.54Å; I790-T795 WeakPolarHBondContact CA-O 3.24Å; L791-T795 HydrophobicContact CD1-CG2 4.34Å; L791-T795 PolarHBondContact N-O 3.17Å; N793-T795 PolarHBondContact ND2-OG1 2.94Å; N793-T795 VanDerWaalsContact OD1-CB 3.27Å; N793-T795 WeakPolarHBondContact OD1-CB 3.48Å; N793-T795 PolarHBondContact OD1-N 3.4Å; N793-T795 PolarHBondContact OD1-OG1 3.01Å; N793-T795 VanDerWaalsContact OD1-OG1 3.09Å; T795-M820 HydrophobicContact CG2-CG 4.12Å; T795-M820 HydrophobicContact CG2-SD 4.29Å; T795-V825 HydrophobicContact CG2-CG2 4.09Å
796	V	95.9	Very high	94.6	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.1	172.6	68.3	0	0	0	0	111.2	A789 I790 T798 V821 F824 L831 V834 F843	A789-V796 WeakPolarHBondContact O-CA 3.37Å; A789-V796 WeakPolarHBondContact O-CG2 3.27Å; I790-V796 HydrophobicContact CG1-CB 4.45Å; I790-V796 HydrophobicContact CG1-CG2 4.27Å; V796-T798 HydrophobicContact CG2-CG2 4.23Å; V796-V821 HydrophobicContact CG1-CB 3.76Å; V796-V821 HydrophobicContact CG1-CG2 3.77Å; V796-V821 PolarHBondContact O-N 2.95Å; V796-F824 HydrophobicContact CG1-CD2 3.66Å; V796-F824 HydrophobicContact CG1-CE2 3.98Å; V796-L831 HydrophobicContact CB-CD1 3.64Å; V796-L831 HydrophobicContact CG1-CD1 3.4Å; V796-L831 VanDerWaalsContact CG1-CD1 3.4Å; V796-L831 HydrophobicContact CG2-CD1 4.42Å; V796-V834 HydrophobicContact CG2-CB 4.43Å; V796-V834 HydrophobicContact CG2-CG1 4.48Å; V796-V834 HydrophobicContact CG2-CG2 4.26Å; V796-F843 HydrophobicContact CG1-CD1 4.11Å; V796-F843 HydrophobicContact CG1-CE1 4Å; V796-F843 HydrophobicContact CG2-CD1 4.17Å; V796-F843 HydrophobicContact CG2-CE1 3.96Å
797	V	96.2	Very high	94.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.1	170	-69.5	0	0	0	0	109.4	L767 L772 A788 A789 W799 P818 T819 M820	L767-V797 HydrophobicContact CD1-CG2 3.99Å; L772-V797 HydrophobicContact CD1-CG1 3.88Å; L772-V797 HydrophobicContact CD2-CG1 3.67Å; L772-V797 HydrophobicContact CG-CG1 4.48Å; A788-V797 CarbonylContact C-O 3.55Å; A788-V797 VanDerWaalsContact CA-O 3.28Å; A788-V797 WeakPolarHBondContact CA-O 3.47Å; A789-V797 HydrophobicContact CB-CG2 3.86Å; A789-V797 PolarHBondContact N-O 2.96Å; A789-V797 WeakPolarHBondContact O-CG2 3.27Å; A789-V797 PolarHBondContact O-N 3.42Å; V797-W799 HydrophobicContact CG2-CZ3 3.98Å; V797-P818 HydrophobicContact CB-CB 4.3Å; V797-P818 HydrophobicContact CG2-CB 4.39Å; V797-T819 CarbonylContact C-O 3.52Å; V797-T819 WeakPolarHBondContact CA-O 3.46Å; V797-M820 HydrophobicContact CG1-CB 4.48Å; V797-M820 HydrophobicContact CG1-CG 3.91Å
798	T	97.6	Very high	94.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.7	-179.1	55.9	0	0	0	0	110.1	S787 A788 V796 L807 H809 T819 V821 F843	S787-T798 WeakPolarHBondContact O-CA 3.36Å; A788-T798 HydrophobicContact CB-CG2 3.87Å; V796-T798 HydrophobicContact CG2-CG2 4.23Å; T798-L807 PolarHBondContact OG1-O 2.84Å; T798-H809 PolarHBondContact OG1-CE1 2.83Å; T798-H809 VanDerWaalsContact OG1-CE1 3.29Å; T798-H809 PolarHBondContact OG1-NE2 3.06Å; T798-T819 PolarHBondContact N-O 3.05Å; T798-T819 PolarHBondContact O-N 2.93Å; T798-V821 HydrophobicContact CG2-CG2 3.81Å; T798-V821 WeakPolarHBondContact OG1-CG2 3.49Å; T798-F843 HydrophobicContact CG2-CE1 4.16Å; T798-F843 HydrophobicContact CG2-CZ 4.38Å
799	W	97.1	Very high	94.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	164.1	178.1	63.8	98.6	0	0	0	112	I733 G750 Q751 V752 V766 L767 H786 S787 A789 V797 L807 K815 I817 P818	I733-W799 HydrophobicContact CD1-CH2 4.47Å; I733-W799 HydrophobicContact CD1-CZ2 3.7Å; G750-W799 VanDerWaalsContact O-CD1 3.28Å; Q751-W799 PolarHBondContact O-NE1 3.03Å; Q751-W799 VanDerWaalsContact O-NE1 3.09Å; V752-W799 PolarHBondContact O-NE1 3.06Å; V766-W799 HydrophobicContact CG1-CZ2 4.24Å; L767-W799 HydrophobicContact CD1-CH2 4.46Å; H786-W799 CarbonylContact C-O 3.53Å; H786-W799 WeakPolarHBondContact CA-O 3.33Å; H786-W799 WeakPolarHBondContact CB-O 3.37Å; S787-W799 PolarHBondContact N-O 2.87Å; S787-W799 PolarHBondContact O-N 3.48Å; A789-W799 HydrophobicContact CB-CH2 3.91Å; A789-W799 HydrophobicContact CB-CZ3 3.95Å; V797-W799 HydrophobicContact CG2-CZ3 3.98Å; W799-L807 WeakPolarHBondContact O-CD2 3.45Å; W799-K815 HydrophobicContact CB-CB 4.4Å; W799-K815 WeakPolarHBondContact CB-O 3.35Å; W799-I817 WeakPolarHBondContact CB-O 3.29Å; W799-P818 HydrophobicContact CD2-CB 4.23Å; W799-P818 HydrophobicContact CD2-CG 3.97Å; W799-P818 HydrophobicContact CE3-CB 3.74Å; W799-P818 HydrophobicContact CE3-CG 3.93Å; W799-P818 HydrophobicContact CG-CG 4.46Å; W799-P818 HydrophobicContact CZ3-CB 4.12Å; W799-P818 HydrophobicContact CZ3-CG 4.26Å
800	G	96.4	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.3	-147.3	-177.4	0	0	0	0	0	113.3	F749 D814 K815	F749-G800 CarbonylContact O-C 3.52Å; F749-G800 WeakPolarHBondContact O-CA 3.36Å; G800-D814 WeakPolarHBondContact O-CA 3.46Å; G800-K815 PolarHBondContact N-O 3.4Å; G800-K815 PolarHBondContact O-N 2.94Å
801	W	96.3	Very high	94.4	Very high	30 Å²	30	18.3 Å²	18.3	11%	0.114	11%	0.11	C	C	.	.			trans	-67.7	134	-177.8	-170.5	47.3	0	0	0	112.6	F749 Y785 V803 H804 Q806 Y838 A839	F749-W801 HydrophobicContact CB-CB 3.73Å; F749-W801 HydrophobicContact CB-CG 4.39Å; F749-W801 HydrophobicContact CD1-CB 4.29Å; F749-W801 AromaticContact CD1-CD1 3.47Å; F749-W801 VanDerWaalsContact CD1-CD1 3.47Å; F749-W801 HydrophobicContact CD1-CG 4.05Å; F749-W801 HydrophobicContact CD2-CB 4.4Å; F749-W801 AromaticContact CE1-CD1 3.82Å; F749-W801 HydrophobicContact CE1-CG 4.49Å; F749-W801 HydrophobicContact CG-CB 3.89Å; F749-W801 AromaticContact CG-CD1 3.96Å; F749-W801 HydrophobicContact CG-CG 4.08Å; Y785-W801 AromaticContact CD2-CE3 3.87Å; Y785-W801 HydrophobicContact CD2-CE3 3.87Å; Y785-W801 HydrophobicContact CD2-CZ3 4.15Å; Y785-W801 HydrophobicContact CG-CE3 4.4Å; Y785-W801 WeakPolarHBondContact O-CB 3.35Å; Y785-W801 PolarHBondContact O-N 2.8Å; W801-V803 HydrophobicContact CZ2-CB 4Å; W801-V803 HydrophobicContact CZ2-CG2 4.41Å; W801-H804 AromaticContact CH2-CD2 3.47Å; W801-H804 VanDerWaalsContact CH2-CD2 3.47Å; W801-H804 WeakPolarHBondContact CH2-CD2 3.32Å; W801-H804 AromaticContact CH2-NE2 3.43Å; W801-H804 WeakPolarHBondContact CH2-NE2 3.41Å; W801-H804 AromaticContact CZ2-CD2 3.92Å; W801-H804 AromaticContact CZ2-NE2 3.86Å; W801-H804 AromaticContact CZ3-CD2 3.98Å; W801-Q806 WeakPolarHBondContact O-CG 3.29Å; W801-Q806 PolarHBondContact O-NE2 3.13Å; W801-Y838 HydrophobicContact CZ3-CE1 4.38Å; W801-A839 HydrophobicContact CZ3-CB 4.09Å
802	N	96.9	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.127	C	C	.	.			trans	-139.6	13	-173.1	-161.6	28.4	0	0	0	115	H804 G805 Q806 L807 N811 A812 V813 D814	N802-H804 PolarHBondContact O-N 2.79Å; N802-G805 PolarHBondContact O-N 3.05Å; N802-G805 WeakPolarHBondContact OD1-CA 3.32Å; N802-Q806 VanDerWaalsContact C-OE1 3.23Å; N802-Q806 PolarHBondContact OD1-N 2.83Å; N802-Q806 VanDerWaalsContact OD1-N 3.11Å; N802-L807 HydrophobicContact CB-CB 4.34Å; N802-L807 HydrophobicContact CB-CD1 3.6Å; N802-L807 HydrophobicContact CB-CG 3.63Å; N802-L807 WeakPolarHBondContact OD1-CB 3.43Å; N802-L807 WeakPolarHBondContact OD1-CG 3.34Å; N802-L807 PolarHBondContact OD1-N 3.48Å; N802-N811 PolarHBondContact ND2-O 2.87Å; N802-N811 VanDerWaalsContact ND2-O 3.1Å; N802-N811 PolarHBondContact ND2-OD1 3.06Å; N802-A812 CarbonylContact O-C 3.51Å; N802-A812 WeakPolarHBondContact O-CA 3.25Å; N802-V813 WeakPolarHBondContact CB-O 3.5Å; N802-V813 PolarHBondContact ND2-N 3.15Å; N802-V813 PolarHBondContact ND2-O 3.4Å; N802-D814 PolarHBondContact N-OD1 2.82Å
803	V	95.3	Very high	95	Very high	67 Å²	67	23 Å²	23	41%	0.406	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.5	-178.7	169	0	0	0	0	113.9	W801 K869	W801-V803 HydrophobicContact CZ2-CB 4Å; W801-V803 HydrophobicContact CZ2-CG2 4.41Å; V803-K869 PolarHBondContact O-NZ 3.39Å
804	H	94.9	Very high	95.4	Very high	52 Å²	52	22.8 Å²	22.8	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.5	177.4	-59.2	-69.9	0	0	0	114.2	W801 N802 Q806 G854	W801-H804 AromaticContact CH2-CD2 3.47Å; W801-H804 VanDerWaalsContact CH2-CD2 3.47Å; W801-H804 WeakPolarHBondContact CH2-CD2 3.32Å; W801-H804 AromaticContact CH2-NE2 3.43Å; W801-H804 WeakPolarHBondContact CH2-NE2 3.41Å; W801-H804 AromaticContact CZ2-CD2 3.92Å; W801-H804 AromaticContact CZ2-NE2 3.86Å; W801-H804 AromaticContact CZ3-CD2 3.98Å; N802-H804 PolarHBondContact O-N 2.79Å; H804-Q806 VanDerWaalsContact CA-OE1 3.31Å; H804-Q806 VanDerWaalsContact CB-OE1 3.32Å; H804-G854 CarbonylContact O-C 3.59Å; H804-G854 VanDerWaalsContact O-C 3.27Å; H804-G854 WeakPolarHBondContact O-CA 3.44Å
805	G	95.7	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	78.8	19.7	-173.4	0	0	0	0	0	113.5	N802 L807 G808 C853	N802-G805 PolarHBondContact O-N 3.05Å; N802-G805 WeakPolarHBondContact OD1-CA 3.32Å; G805-L807 PolarHBondContact O-N 2.76Å; G805-G808 PolarHBondContact O-N 3.27Å; G805-C853 PolarHBondContact O-SG 3.23Å
806	Q	96.6	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.1	-175.9	64.5	-94.2	41.4	0	0	114.4	W801 N802 H804 T841 C853	W801-Q806 WeakPolarHBondContact O-CG 3.29Å; W801-Q806 PolarHBondContact O-NE2 3.13Å; N802-Q806 VanDerWaalsContact C-OE1 3.23Å; N802-Q806 PolarHBondContact OD1-N 2.83Å; N802-Q806 VanDerWaalsContact OD1-N 3.11Å; H804-Q806 VanDerWaalsContact CA-OE1 3.31Å; H804-Q806 VanDerWaalsContact CB-OE1 3.32Å; Q806-T841 WeakPolarHBondContact O-CB 3.34Å; Q806-T841 PolarHBondContact O-OG1 3.11Å; Q806-C853 VanDerWaalsContact C-SG 3.55Å; Q806-C853 PolarHBondContact O-SG 2.87Å
807	L	97.1	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.9	174.7	-58.5	-172.3	0	0	0	113.4	H786 T798 W799 N802 G805 H809 K815 V821	H786-L807 HydrophobicContact CB-CD2 3.74Å; T798-L807 PolarHBondContact OG1-O 2.84Å; W799-L807 WeakPolarHBondContact O-CD2 3.45Å; N802-L807 HydrophobicContact CB-CB 4.34Å; N802-L807 HydrophobicContact CB-CD1 3.6Å; N802-L807 HydrophobicContact CB-CG 3.63Å; N802-L807 WeakPolarHBondContact OD1-CB 3.43Å; N802-L807 WeakPolarHBondContact OD1-CG 3.34Å; N802-L807 PolarHBondContact OD1-N 3.48Å; G805-L807 PolarHBondContact O-N 2.76Å; L807-H809 VanDerWaalsContact CB-CD2 3.46Å; L807-H809 WeakPolarHBondContact CB-CD2 3.11Å; L807-K815 HydrophobicContact CD1-CB 3.67Å; L807-K815 HydrophobicContact CD1-CG 3.62Å; L807-V821 WeakPolarHBondContact O-CG2 3.46Å
808	G	96.1	Very high	95.5	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	17%	0.173	C	C	.	.			trans	85.3	8.4	177.5	0	0	0	0	0	115.7	G805 G810 S871 P873	G805-G808 PolarHBondContact O-N 3.27Å; G808-G810 VanDerWaalsContact C-N 3.26Å; G808-G810 PolarHBondContact O-N 2.99Å; G808-S871 CarbonylContact C-O 3.33Å; G808-S871 WeakPolarHBondContact CA-O 3.38Å; G808-P873 WeakPolarHBondContact O-CD 3.39Å
809	H	96.4	Very high	95.4	Very high	35 Å²	35	33.1 Å²	33.1	16%	0.162	18%	0.182	C	C	.	.	S	Bend	trans	-82.3	11.5	-178	-57.5	-61.8	0	0	0	115.1	T798 L807 N811 T819 M820 S871	T798-H809 PolarHBondContact OG1-CE1 2.83Å; T798-H809 VanDerWaalsContact OG1-CE1 3.29Å; T798-H809 PolarHBondContact OG1-NE2 3.06Å; L807-H809 VanDerWaalsContact CB-CD2 3.46Å; L807-H809 WeakPolarHBondContact CB-CD2 3.11Å; H809-N811 PolarHBondContact O-N 2.83Å; H809-N811 VanDerWaalsContact O-N 3.13Å; H809-T819 PolarHBondContact CE1-O 2.9Å; H809-M820 PolarHBondContact CE1-O 3.45Å; H809-M820 VanDerWaalsContact CE1-O 3.3Å; H809-M820 PolarHBondContact ND1-O 3.49Å; H809-S871 PolarHBondContact N-O 2.84Å
810	G	93.4	Very high	95.3	Very high	29 Å²	29	36.4 Å²	36.4	30%	0.299	20%	0.198	S	C	.	.	S	Bend	trans	75.7	-7.5	-178.5	0	0	0	0	0	115.7	G808 S871	G808-G810 VanDerWaalsContact C-N 3.26Å; G808-G810 PolarHBondContact O-N 2.99Å; G810-S871 VanDerWaalsContact C-CB 3.47Å; G810-S871 VanDerWaalsContact C-OG 3.22Å; G810-S871 WeakPolarHBondContact CA-O 3.41Å; G810-S871 PolarHBondContact N-O 3.42Å; G810-S871 PolarHBondContact O-OG 2.96Å
811	N	93.8	Very high	95.2	Very high	63 Å²	63	36.5 Å²	36.5	34%	0.337	20%	0.199	S	C	.	.	S	Bend	trans	-122.5	-179.3	174.8	61.6	50.7	0	0	0	111.6	N802 H809 V813	N802-N811 PolarHBondContact ND2-O 2.87Å; N802-N811 VanDerWaalsContact ND2-O 3.1Å; N802-N811 PolarHBondContact ND2-OD1 3.06Å; H809-N811 PolarHBondContact O-N 2.83Å; H809-N811 VanDerWaalsContact O-N 3.13Å; N811-V813 HydrophobicContact CB-CG2 4.4Å; N811-V813 PolarHBondContact OD1-N 3.31Å; N811-V813 VanDerWaalsContact OD1-N 3.16Å
812	A	94.4	Very high	95.1	Very high	46 Å²	46	41.5 Å²	41.5	38%	0.38	22%	0.223	S	C	.	.			trans	-113.6	31.9	178.2	0	0	0	0	0	112.5	N802	N802-A812 CarbonylContact O-C 3.51Å; N802-A812 WeakPolarHBondContact O-CA 3.25Å
813	V	95.9	Very high	94.9	Very high	88 Å²	88	43 Å²	43	53%	0.533	23%	0.231	S	C	.	.			trans	-98.8	127.2	-177.2	-177.8	0	0	0	0	109.6	N802 N811	N802-V813 WeakPolarHBondContact CB-O 3.5Å; N802-V813 PolarHBondContact ND2-N 3.15Å; N802-V813 PolarHBondContact ND2-O 3.4Å; N811-V813 HydrophobicContact CB-CG2 4.4Å; N811-V813 PolarHBondContact OD1-N 3.31Å; N811-V813 VanDerWaalsContact OD1-N 3.16Å
814	D	95	Very high	94.8	Very high	38 Å²	38	40 Å²	40	20%	0.203	21%	0.212	C	C	.	.			trans	-60.2	145.8	176.9	-64	-9.4	0	0	0	110.5	G800 N802 Y816	G800-D814 WeakPolarHBondContact O-CA 3.46Å; N802-D814 PolarHBondContact N-OD1 2.82Å; D814-Y816 HydrophobicContact CB-CE2 4.36Å
815	K	95.5	Very high	94.6	Very high	57 Å²	57	41 Å²	41	25%	0.248	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.5	-179.3	-68	-65.6	-170.2	170.6	0	109.1	W799 G800 L807 I817 T819	W799-K815 HydrophobicContact CB-CB 4.4Å; W799-K815 WeakPolarHBondContact CB-O 3.35Å; G800-K815 PolarHBondContact N-O 3.4Å; G800-K815 PolarHBondContact O-N 2.94Å; L807-K815 HydrophobicContact CD1-CB 3.67Å; L807-K815 HydrophobicContact CD1-CG 3.62Å; K815-I817 PolarHBondContact O-N 3.15Å; K815-T819 HydrophobicContact CD-CG2 4.46Å
816	Y	93.7	Very high	94.3	Very high	106 Å²	106	47.8 Å²	47.8	42%	0.416	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-4.8	180	-70	-94.1	0	0	0	114	G753 V754 D814	G753-Y816 CarbonylContact C-O 3.59Å; G753-Y816 VanDerWaalsContact CA-O 3.27Å; G753-Y816 WeakPolarHBondContact CA-O 3.37Å; V754-Y816 PolarHBondContact N-O 2.65Å; D814-Y816 HydrophobicContact CB-CE2 4.36Å
817	I	93	Very high	93.9	Very high	44 Å²	44	52.1 Å²	52.1	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.4	-172.6	65.1	174.3	0	0	0	109.9	E755 W799 K815 T819	E755-I817 HydrophobicContact CG-CG2 3.48Å; E755-I817 VanDerWaalsContact CG-CG2 3.48Å; E755-I817 VanDerWaalsContact OE1-CG2 3.27Å; E755-I817 WeakPolarHBondContact OE1-CG2 3.25Å; W799-I817 WeakPolarHBondContact CB-O 3.29Å; K815-I817 PolarHBondContact O-N 3.15Å; I817-T819 PolarHBondContact O-N 2.7Å; I817-T819 VanDerWaalsContact O-N 3.08Å; I817-T819 PolarHBondContact O-OG1 3.26Å
818	P	95	Very high	93.5	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.045	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	118	174.8	-24.7	32.2	0	0	0	111.1	V766 L767 L772 V797 W799	V766-P818 HydrophobicContact CG1-CG 3.43Å; V766-P818 VanDerWaalsContact CG1-CG 3.43Å; L767-P818 HydrophobicContact CD1-CB 4.39Å; L767-P818 HydrophobicContact CD1-CG 4.45Å; L767-P818 HydrophobicContact CD2-CB 3.79Å; L767-P818 HydrophobicContact CD2-CG 3.9Å; L767-P818 HydrophobicContact CG-CB 4.24Å; L767-P818 HydrophobicContact CG-CG 4Å; L772-P818 HydrophobicContact CD1-CB 4.33Å; V797-P818 HydrophobicContact CB-CB 4.3Å; V797-P818 HydrophobicContact CG2-CB 4.39Å; W799-P818 HydrophobicContact CD2-CB 4.23Å; W799-P818 HydrophobicContact CD2-CG 3.97Å; W799-P818 HydrophobicContact CE3-CB 3.74Å; W799-P818 HydrophobicContact CE3-CG 3.93Å; W799-P818 HydrophobicContact CG-CG 4.46Å; W799-P818 HydrophobicContact CZ3-CB 4.12Å; W799-P818 HydrophobicContact CZ3-CG 4.26Å
819	T	95	Very high	93.4	Very high	31 Å²	31	59.8 Å²	59.8	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.8	-177.6	-56.8	0	0	0	0	108.9	V797 T798 H809 K815 I817	V797-T819 CarbonylContact C-O 3.52Å; V797-T819 WeakPolarHBondContact CA-O 3.46Å; T798-T819 PolarHBondContact N-O 3.05Å; T798-T819 PolarHBondContact O-N 2.93Å; H809-T819 PolarHBondContact CE1-O 2.9Å; K815-T819 HydrophobicContact CD-CG2 4.46Å; I817-T819 PolarHBondContact O-N 2.7Å; I817-T819 VanDerWaalsContact O-N 3.08Å; I817-T819 PolarHBondContact O-OG1 3.26Å
820	M	94.5	Very high	93.2	Very high	70 Å²	70	65.5 Å²	65.5	35%	0.345	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.5	176.3	-67.6	-177.4	-177.4	0	0	111	G771 L772 T795 V797 H809 E822	G771-M820 WeakPolarHBondContact O-CE 3.39Å; L772-M820 HydrophobicContact CD2-CE 3.19Å; L772-M820 HydrophobicContact CD2-CG 3.84Å; L772-M820 HydrophobicContact CD2-SD 4.32Å; L772-M820 HydrophobicContact CG-CE 4.04Å; T795-M820 HydrophobicContact CG2-CG 4.12Å; T795-M820 HydrophobicContact CG2-SD 4.29Å; V797-M820 HydrophobicContact CG1-CB 4.48Å; V797-M820 HydrophobicContact CG1-CG 3.91Å; H809-M820 PolarHBondContact CE1-O 3.45Å; H809-M820 VanDerWaalsContact CE1-O 3.3Å; H809-M820 PolarHBondContact ND1-O 3.49Å; M820-E822 PolarHBondContact O-N 2.83Å
821	V	95.6	Very high	93.2	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	33%	0.325	C	S	.	.			trans	-84.7	89.8	170.1	-176.4	0	0	0	0	108.5	V796 T798 L807 H823 F824 P873	V796-V821 HydrophobicContact CG1-CB 3.76Å; V796-V821 HydrophobicContact CG1-CG2 3.77Å; V796-V821 PolarHBondContact O-N 2.95Å; T798-V821 HydrophobicContact CG2-CG2 3.81Å; T798-V821 WeakPolarHBondContact OG1-CG2 3.49Å; L807-V821 WeakPolarHBondContact O-CG2 3.46Å; V821-H823 HydrophobicContact CG1-CB 4.31Å; V821-H823 PolarHBondContact O-N 3.15Å; V821-H823 VanDerWaalsContact O-N 3.08Å; V821-F824 HydrophobicContact CB-CD2 4Å; V821-F824 HydrophobicContact CB-CE2 4.48Å; V821-F824 HydrophobicContact CG1-CD2 3.65Å; V821-F824 HydrophobicContact CG1-CE2 3.88Å; V821-F824 PolarHBondContact O-N 3.26Å; V821-P873 HydrophobicContact CG1-CG 3.89Å
822	E	93	Very high	93.1	Very high	136 Å²	136	63.7 Å²	63.7	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-51.6	-33.9	-174.7	-67.6	173.5	169.7	0	0	113.4	M820 F824 V825 E826	M820-E822 PolarHBondContact O-N 2.83Å; E822-F824 VanDerWaalsContact C-N 3.26Å; E822-F824 PolarHBondContact O-N 3.11Å; E822-F824 VanDerWaalsContact O-N 3.16Å; E822-V825 WeakPolarHBondContact O-CA 3.38Å; E822-V825 WeakPolarHBondContact O-CB 3.42Å; E822-V825 PolarHBondContact O-N 2.84Å; E822-E826 WeakPolarHBondContact O-CG 3.45Å; E822-E826 PolarHBondContact O-N 3.18Å
823	H	92.5	Very high	93.1	Very high	32 Å²	32	62.3 Å²	62.3	15%	0.148	31%	0.312	C	S	.	.	H	α-helix	trans	-51.6	-41.8	179.5	-174.9	69	0	0	0	114	V821 Q827 P873	V821-H823 HydrophobicContact CG1-CB 4.31Å; V821-H823 PolarHBondContact O-N 3.15Å; V821-H823 VanDerWaalsContact O-N 3.08Å; H823-Q827 PolarHBondContact CE1-NE2 3.17Å; H823-Q827 WeakPolarHBondContact O-CG 3.35Å; H823-Q827 PolarHBondContact O-N 3.45Å; H823-P873 HydrophobicContact CB-CG 4.2Å; H823-P873 PolarHBondContact NE2-O 2.85Å
824	F	94.4	Very high	93.1	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-77.9	-30.4	179.2	-63.8	-61.1	0	0	0	112.1	V796 V821 E822 T828 I829 L831 F843 F851 P873	V796-F824 HydrophobicContact CG1-CD2 3.66Å; V796-F824 HydrophobicContact CG1-CE2 3.98Å; V821-F824 HydrophobicContact CB-CD2 4Å; V821-F824 HydrophobicContact CB-CE2 4.48Å; V821-F824 HydrophobicContact CG1-CD2 3.65Å; V821-F824 HydrophobicContact CG1-CE2 3.88Å; V821-F824 PolarHBondContact O-N 3.26Å; E822-F824 VanDerWaalsContact C-N 3.26Å; E822-F824 PolarHBondContact O-N 3.11Å; E822-F824 VanDerWaalsContact O-N 3.16Å; F824-T828 PolarHBondContact O-N 3.47Å; F824-T828 VanDerWaalsContact O-N 3.08Å; F824-I829 HydrophobicContact CB-CB 4.39Å; F824-I829 HydrophobicContact CD1-CB 4.06Å; F824-I829 HydrophobicContact CD1-CD1 4.26Å; F824-I829 HydrophobicContact CD1-CG2 4Å; F824-I829 PolarHBondContact O-N 3.43Å; F824-L831 HydrophobicContact CD1-CD2 4.36Å; F824-L831 HydrophobicContact CD2-CD1 3.78Å; F824-L831 HydrophobicContact CE1-CD2 4.22Å; F824-L831 HydrophobicContact CE2-CD1 3.74Å; F824-L831 HydrophobicContact CG-CD1 4.2Å; F824-L831 HydrophobicContact CZ-CD1 4.15Å; F824-L831 HydrophobicContact CZ-CD2 4.41Å; F824-F843 HydrophobicContact CE2-CB 4.21Å; F824-F843 AromaticContact CE2-CD1 3.86Å; F824-F843 HydrophobicContact CE2-CD1 3.86Å; F824-F843 AromaticContact CE2-CD2 3.98Å; F824-F843 HydrophobicContact CE2-CD2 3.98Å; F824-F843 HydrophobicContact CE2-CE1 4.15Å; F824-F843 HydrophobicContact CE2-CE2 4.27Å; F824-F843 AromaticContact CE2-CG 3.76Å; F824-F843 HydrophobicContact CE2-CG 3.76Å; F824-F843 HydrophobicContact CE2-CZ 4.34Å; F824-F843 HydrophobicContact CZ-CB 3.79Å; F824-F843 HydrophobicContact CZ-CD1 4.27Å; F824-F843 AromaticContact CZ-CD2 3.79Å; F824-F843 HydrophobicContact CZ-CD2 3.79Å; F824-F843 HydrophobicContact CZ-CE2 4.42Å; F824-F843 AromaticContact CZ-CG 3.7Å; F824-F843 HydrophobicContact CZ-CG 3.7Å; F824-F851 HydrophobicContact CE1-CB 4.09Å; F824-F851 HydrophobicContact CE1-CD1 4.05Å; F824-F851 AromaticContact CE1-CD2 3.87Å; F824-F851 HydrophobicContact CE1-CD2 3.87Å; F824-F851 HydrophobicContact CE1-CE1 4.47Å; F824-F851 HydrophobicContact CE1-CE2 4.3Å; F824-F851 AromaticContact CE1-CG 3.74Å; F824-F851 HydrophobicContact CE1-CG 3.74Å; F824-F851 HydrophobicContact CZ-CB 3.98Å; F824-F851 HydrophobicContact CZ-CD2 4.46Å; F824-F851 HydrophobicContact CZ-CG 4.16Å; F824-P873 HydrophobicContact CD2-CG 4.34Å; F824-P873 HydrophobicContact CE1-CB 3.91Å; F824-P873 HydrophobicContact CE1-CG 4.33Å; F824-P873 HydrophobicContact CE2-CB 3.9Å; F824-P873 HydrophobicContact CE2-CG 3.57Å; F824-P873 HydrophobicContact CZ-CB 3.34Å; F824-P873 HydrophobicContact CZ-CG 3.58Å
825	V	89.2	Confident	93.1	Very high	74 Å²	74	58.4 Å²	58.4	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-46.6	176.9	-177.5	0	0	0	0	110.4	T795 E822 Q827 T828	T795-V825 HydrophobicContact CG2-CG2 4.09Å; E822-V825 WeakPolarHBondContact O-CA 3.38Å; E822-V825 WeakPolarHBondContact O-CB 3.42Å; E822-V825 PolarHBondContact O-N 2.84Å; V825-Q827 PolarHBondContact O-N 3.31Å; V825-T828 PolarHBondContact O-N 2.95Å; V825-T828 VanDerWaalsContact O-N 3.08Å
826	E	89.7	Confident	93.1	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	28%	0.278	S	S	*	.	H	α-helix	trans	-58.4	-36.4	176.3	-70.8	172.1	177.2	0	0	112.4	E822	E822-E826 WeakPolarHBondContact O-CG 3.45Å; E822-E826 PolarHBondContact O-N 3.18Å
827	Q	88.4	Confident	93	Very high	91 Å²	91	51.3 Å²	51.3	43%	0.425	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.4	179.6	-64.9	-175.2	-6.2	0	0	113.4	H823 V825 I829	H823-Q827 PolarHBondContact CE1-NE2 3.17Å; H823-Q827 WeakPolarHBondContact O-CG 3.35Å; H823-Q827 PolarHBondContact O-N 3.45Å; V825-Q827 PolarHBondContact O-N 3.31Å; Q827-I829 HydrophobicContact CB-CD1 3.71Å; Q827-I829 HydrophobicContact CB-CG1 3.79Å; Q827-I829 PolarHBondContact O-N 2.86Å; Q827-I829 VanDerWaalsContact O-N 3.15Å
828	T	90	Very high	92.8	Very high	126 Å²	126	52.5 Å²	52.5	77%	0.773	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	27.7	-175.7	58.1	0	0	0	0	114.3	F824 V825	F824-T828 PolarHBondContact O-N 3.47Å; F824-T828 VanDerWaalsContact O-N 3.08Å; V825-T828 PolarHBondContact O-N 2.95Å; V825-T828 VanDerWaalsContact O-N 3.08Å
829	I	92.6	Very high	92.7	Very high	37 Å²	37	52.2 Å²	52.2	19%	0.19	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-84.5	126.2	179.5	-62.4	171.9	0	0	0	109.1	F824 Q827 L831 F851	F824-I829 HydrophobicContact CB-CB 4.39Å; F824-I829 HydrophobicContact CD1-CB 4.06Å; F824-I829 HydrophobicContact CD1-CD1 4.26Å; F824-I829 HydrophobicContact CD1-CG2 4Å; F824-I829 PolarHBondContact O-N 3.43Å; Q827-I829 HydrophobicContact CB-CD1 3.71Å; Q827-I829 HydrophobicContact CB-CG1 3.79Å; Q827-I829 PolarHBondContact O-N 2.86Å; Q827-I829 VanDerWaalsContact O-N 3.15Å; I829-L831 HydrophobicContact CG2-CD2 4.12Å; I829-F851 HydrophobicContact CD1-CE1 4.23Å; I829-F851 HydrophobicContact CD1-CE2 4.36Å; I829-F851 HydrophobicContact CD1-CZ 3.7Å; I829-F851 HydrophobicContact CG2-CE2 4.29Å
830	R	92.4	Very high	92.7	Very high	154 Å²	154	50.7 Å²	50.7	58%	0.581	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-99.7	135.7	175.3	-62	-178	-176.7	-160.8	-0.2	110	S845 D846	R830-S845 CarbonylContact O-C 3.47Å; R830-S845 VanDerWaalsContact O-CA 3.24Å; R830-S845 WeakPolarHBondContact O-CA 3.48Å; R830-S845 WeakPolarHBondContact O-CB 3.32Å; R830-D846 WeakPolarHBondContact CB-OD2 3.14Å; R830-D846 PolarHBondContact O-N 2.91Å; R830-D846 VanDerWaalsContact O-OD1 3.11Å
831	L	94.7	Very high	92.8	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.1	-178.4	-61.1	179.3	0	0	0	112.2	I790 G794 V796 F824 I829 F843 L844	I790-L831 HydrophobicContact CD1-CB 4.22Å; G794-L831 PolarHBondContact O-N 2.84Å; V796-L831 HydrophobicContact CB-CD1 3.64Å; V796-L831 HydrophobicContact CG1-CD1 3.4Å; V796-L831 VanDerWaalsContact CG1-CD1 3.4Å; V796-L831 HydrophobicContact CG2-CD1 4.42Å; F824-L831 HydrophobicContact CD1-CD2 4.36Å; F824-L831 HydrophobicContact CD2-CD1 3.78Å; F824-L831 HydrophobicContact CE1-CD2 4.22Å; F824-L831 HydrophobicContact CE2-CD1 3.74Å; F824-L831 HydrophobicContact CG-CD1 4.2Å; F824-L831 HydrophobicContact CZ-CD1 4.15Å; F824-L831 HydrophobicContact CZ-CD2 4.41Å; I829-L831 HydrophobicContact CG2-CD2 4.12Å; L831-F843 HydrophobicContact CD1-CB 3.84Å; L831-F843 HydrophobicContact CD1-CD1 3.75Å; L831-F843 HydrophobicContact CD1-CG 4.16Å; L831-F843 HydrophobicContact CD2-CB 4.04Å; L831-L844 CarbonylContact C-O 3.27Å; L831-L844 WeakPolarHBondContact CA-O 3.41Å; L831-L844 WeakPolarHBondContact CD2-O 3.39Å
832	S	91.1	Very high	92.9	Very high	50 Å²	50	47.3 Å²	47.3	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-31	176.3	64.4	0	0	0	0	112.1	L844 S845	S832-L844 PolarHBondContact N-O 2.76Å; S832-L844 PolarHBondContact OG-O 3.3Å; S832-S845 PolarHBondContact OG-O 3.36Å
833	D	94	Very high	93.1	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.4	179.7	-154.9	-16.9	0	0	0	112.2	K779 I790 L844 I887	K779-D833 WeakPolarHBondContact CE-OD1 3.48Å; K779-D833 IonicContact NZ-OD1 3.64Å; K779-D833 PolarHBondContact NZ-OD1 2.83Å; K779-D833 IonicContact NZ-OD2 3.18Å; K779-D833 PolarHBondContact NZ-OD2 3.47Å; I790-D833 VanDerWaalsContact CD1-C 3.46Å; D833-L844 HydrophobicContact CB-CB 3.81Å; D833-L844 HydrophobicContact CB-CD2 4.02Å; D833-L844 HydrophobicContact CB-CG 4.47Å; D833-L844 PolarHBondContact N-O 3.29Å; D833-L844 PolarHBondContact O-N 3.02Å; D833-I887 HydrophobicContact CB-CD1 4.12Å; D833-I887 HydrophobicContact CB-CG1 4.04Å
834	V	96.2	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.4	171.9	62.2	0	0	0	0	108.6	T781 A788 I790 V796 T841 L842 F843	T781-V834 HydrophobicContact CG2-CG1 3.81Å; T781-V834 HydrophobicContact CG2-CG2 4.31Å; T781-V834 WeakPolarHBondContact CG2-O 3.44Å; A788-V834 HydrophobicContact CB-CG1 4.11Å; A788-V834 HydrophobicContact CB-CG2 3.77Å; I790-V834 HydrophobicContact CD1-CB 3.97Å; I790-V834 HydrophobicContact CD1-CG1 3.67Å; I790-V834 HydrophobicContact CG1-CB 4.21Å; I790-V834 HydrophobicContact CG1-CG1 3.61Å; V796-V834 HydrophobicContact CG2-CB 4.43Å; V796-V834 HydrophobicContact CG2-CG1 4.48Å; V796-V834 HydrophobicContact CG2-CG2 4.26Å; V834-T841 HydrophobicContact CG2-CG2 3.7Å; V834-L842 WeakPolarHBondContact CA-O 3.3Å; V834-F843 HydrophobicContact CB-CD1 4.28Å; V834-F843 HydrophobicContact CG2-CD1 3.64Å; V834-F843 HydrophobicContact CG2-CE1 3.78Å
835	Q	95.1	Very high	93.3	Very high	44 Å²	44	39.3 Å²	39.3	21%	0.206	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.8	178	-67.3	-73.3	17.8	0	0	110.9	T781 L842 I887 C889	T781-Q835 PolarHBondContact OG1-OE1 3.3Å; Q835-L842 PolarHBondContact N-O 2.76Å; Q835-L842 PolarHBondContact O-N 3.16Å; Q835-I887 HydrophobicContact CB-CD1 4.13Å; Q835-I887 HydrophobicContact CG-CB 4.46Å; Q835-I887 HydrophobicContact CG-CD1 3.82Å; Q835-I887 HydrophobicContact CG-CG1 3.75Å; Q835-I887 WeakPolarHBondContact CG-O 3.3Å; Q835-I887 PolarHBondContact NE2-O 2.87Å; Q835-I887 VanDerWaalsContact NE2-O 3.16Å; Q835-C889 HydrophobicContact CB-CB 3.99Å; Q835-C889 WeakPolarHBondContact CB-SG 3.44Å; Q835-C889 PolarHBondContact O-SG 2.82Å
836	C	94.3	Very high	93.2	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.054	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.6	-175.5	-72.4	0	0	0	0	111	T781 G783 H786	T781-C836 HydrophobicContact CG2-CB 4.18Å; T781-C836 VanDerWaalsContact CG2-SG 3.59Å; G783-C836 VanDerWaalsContact CA-CB 3.44Å; H786-C836 PolarHBondContact CD2-SG 3.21Å; H786-C836 WeakPolarHBondContact NE2-CB 3.47Å; H786-C836 PolarHBondContact NE2-SG 3.41Å
837	G	91.5	Very high	93.2	Very high	5 Å²	5	38.8 Å²	38.8	5%	0.052	19%	0.193	C	C	.	.			trans	-95.3	-150.3	174.9	0	0	0	0	0	112.9	G783 A784 H786 H840 S890	G783-G837 VanDerWaalsContact CA-O 3.22Å; G783-G837 WeakPolarHBondContact CA-O 3.5Å; A784-G837 PolarHBondContact N-O 2.98Å; A784-G837 VanDerWaalsContact N-O 3.08Å; H786-G837 PolarHBondContact CE1-O 3.27Å; H786-G837 VanDerWaalsContact CE1-O 3.26Å; G837-H840 WeakPolarHBondContact CA-O 3.32Å; G837-H840 PolarHBondContact N-O 2.96Å; G837-S890 VanDerWaalsContact CA-O 3.31Å; G837-S890 WeakPolarHBondContact CA-O 3.46Å
838	Y	89.9	Confident	93.3	Very high	69 Å²	69	34.6 Å²	34.6	27%	0.271	17%	0.174	S	C	.	.	S	Bend	trans	-72.9	-49.3	174.7	176.2	-105.8	0	0	0	112.8	A784 Y785 W801 L891	A784-Y838 HydrophobicContact CB-CD2 3.66Å; A784-Y838 HydrophobicContact CB-CE2 4.35Å; A784-Y838 HydrophobicContact CB-CG 4.42Å; Y785-Y838 HydrophobicContact CD2-CE2 4.36Å; Y785-Y838 HydrophobicContact CE2-CD2 4.37Å; Y785-Y838 AromaticContact CE2-CE2 3.71Å; Y785-Y838 HydrophobicContact CE2-CE2 3.71Å; W801-Y838 HydrophobicContact CZ3-CE1 4.38Å; Y838-L891 WeakPolarHBondContact CB-O 3.47Å; Y838-L891 HydrophobicContact CD2-CD1 3.5Å; Y838-L891 HydrophobicContact CD2-CG 4.23Å; Y838-L891 HydrophobicContact CE2-CD1 4.37Å; Y838-L891 HydrophobicContact CG-CD1 3.79Å; Y838-L891 HydrophobicContact CG-CG 4.01Å; Y838-L891 PolarHBondContact N-O 2.62Å
839	A	92.6	Very high	93.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	15%	0.152	C	C	.	.	S	Bend	trans	-144.7	26.9	-173.2	0	0	0	0	0	111.1	W801 G854 S855	W801-A839 HydrophobicContact CZ3-CB 4.09Å; A839-G854 WeakPolarHBondContact O-CA 3.44Å; A839-S855 PolarHBondContact O-N 3.17Å
840	H	94.7	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	158	178.7	68.8	-76.2	0	0	0	110.3	G837 C853 Q860 L861 N894	G837-H840 WeakPolarHBondContact CA-O 3.32Å; G837-H840 PolarHBondContact N-O 2.96Å; H840-C853 CarbonylContact C-O 3.57Å; H840-C853 WeakPolarHBondContact CA-O 3.27Å; H840-C853 VanDerWaalsContact CB-O 3.3Å; H840-C853 WeakPolarHBondContact CB-O 3.27Å; H840-Q860 HydrophobicContact CB-CG 4.08Å; H840-L861 HydrophobicContact CB-CD2 3.64Å; H840-N894 PolarHBondContact NE2-OD1 2.07Å
841	T	97	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.4	177.6	-56	0	0	0	0	109.3	H786 Q806 V834 F843 V852 C853	H786-T841 PolarHBondContact NE2-OG1 3.41Å; Q806-T841 WeakPolarHBondContact O-CB 3.34Å; Q806-T841 PolarHBondContact O-OG1 3.11Å; V834-T841 HydrophobicContact CG2-CG2 3.7Å; T841-F843 HydrophobicContact CG2-CD1 4.2Å; T841-F843 HydrophobicContact CG2-CD2 4.31Å; T841-F843 HydrophobicContact CG2-CE1 3.62Å; T841-F843 HydrophobicContact CG2-CE2 3.75Å; T841-F843 HydrophobicContact CG2-CZ 3.37Å; T841-V852 WeakPolarHBondContact O-CA 3.49Å; T841-C853 PolarHBondContact N-O 2.66Å; T841-C853 PolarHBondContact O-N 3.32Å
842	L	97.3	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.7	170.8	-54.1	-178.2	0	0	0	109	V834 Q835 L850 F851 V852 I887 C889 N894 W908	V834-L842 WeakPolarHBondContact CA-O 3.3Å; Q835-L842 PolarHBondContact N-O 2.76Å; Q835-L842 PolarHBondContact O-N 3.16Å; L842-L850 HydrophobicContact CB-CD1 4.29Å; L842-F851 CarbonylContact C-O 3.58Å; L842-F851 WeakPolarHBondContact CA-O 3.27Å; L842-V852 HydrophobicContact CD2-CB 4.08Å; L842-V852 HydrophobicContact CD2-CG1 3.37Å; L842-I887 HydrophobicContact CB-CD1 3.95Å; L842-C889 WeakPolarHBondContact CD1-SG 3.02Å; L842-C889 WeakPolarHBondContact CG-SG 3.09Å; L842-N894 HydrophobicContact CD1-CB 3.84Å; L842-W908 HydrophobicContact CD1-CH2 4.34Å; L842-W908 HydrophobicContact CD1-CZ2 3.9Å; L842-W908 HydrophobicContact CD2-CZ2 4.06Å
843	F	97.4	Very high	94.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.1	175.8	-49.4	-90.6	0	0	0	109.1	V796 T798 F824 L831 V834 T841 L850 F851 P873	V796-F843 HydrophobicContact CG1-CD1 4.11Å; V796-F843 HydrophobicContact CG1-CE1 4Å; V796-F843 HydrophobicContact CG2-CD1 4.17Å; V796-F843 HydrophobicContact CG2-CE1 3.96Å; T798-F843 HydrophobicContact CG2-CE1 4.16Å; T798-F843 HydrophobicContact CG2-CZ 4.38Å; F824-F843 HydrophobicContact CE2-CB 4.21Å; F824-F843 AromaticContact CE2-CD1 3.86Å; F824-F843 HydrophobicContact CE2-CD1 3.86Å; F824-F843 AromaticContact CE2-CD2 3.98Å; F824-F843 HydrophobicContact CE2-CD2 3.98Å; F824-F843 HydrophobicContact CE2-CE1 4.15Å; F824-F843 HydrophobicContact CE2-CE2 4.27Å; F824-F843 AromaticContact CE2-CG 3.76Å; F824-F843 HydrophobicContact CE2-CG 3.76Å; F824-F843 HydrophobicContact CE2-CZ 4.34Å; F824-F843 HydrophobicContact CZ-CB 3.79Å; F824-F843 HydrophobicContact CZ-CD1 4.27Å; F824-F843 AromaticContact CZ-CD2 3.79Å; F824-F843 HydrophobicContact CZ-CD2 3.79Å; F824-F843 HydrophobicContact CZ-CE2 4.42Å; F824-F843 AromaticContact CZ-CG 3.7Å; F824-F843 HydrophobicContact CZ-CG 3.7Å; L831-F843 HydrophobicContact CD1-CB 3.84Å; L831-F843 HydrophobicContact CD1-CD1 3.75Å; L831-F843 HydrophobicContact CD1-CG 4.16Å; L831-F843 HydrophobicContact CD2-CB 4.04Å; V834-F843 HydrophobicContact CB-CD1 4.28Å; V834-F843 HydrophobicContact CG2-CD1 3.64Å; V834-F843 HydrophobicContact CG2-CE1 3.78Å; T841-F843 HydrophobicContact CG2-CD1 4.2Å; T841-F843 HydrophobicContact CG2-CD2 4.31Å; T841-F843 HydrophobicContact CG2-CE1 3.62Å; T841-F843 HydrophobicContact CG2-CE2 3.75Å; T841-F843 HydrophobicContact CG2-CZ 3.37Å; F843-L850 CarbonylContact O-C 3.57Å; F843-F851 HydrophobicContact CB-CB 4.23Å; F843-F851 HydrophobicContact CD2-CB 4.38Å; F843-F851 PolarHBondContact N-O 2.87Å; F843-F851 PolarHBondContact O-N 2.96Å; F843-P873 HydrophobicContact CD2-CB 4.44Å; F843-P873 HydrophobicContact CE2-CB 4.46Å; F843-P873 HydrophobicContact CE2-CG 4.36Å
844	L	96.5	Very high	94.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.1	177.6	-178.3	62.2	0	0	0	108.9	L831 S832 D833 I884 I887	L831-L844 CarbonylContact C-O 3.27Å; L831-L844 WeakPolarHBondContact CA-O 3.41Å; L831-L844 WeakPolarHBondContact CD2-O 3.39Å; S832-L844 PolarHBondContact N-O 2.76Å; S832-L844 PolarHBondContact OG-O 3.3Å; D833-L844 HydrophobicContact CB-CB 3.81Å; D833-L844 HydrophobicContact CB-CD2 4.02Å; D833-L844 HydrophobicContact CB-CG 4.47Å; D833-L844 PolarHBondContact N-O 3.29Å; D833-L844 PolarHBondContact O-N 3.02Å; L844-I884 HydrophobicContact CD1-CB 3.66Å; L844-I884 HydrophobicContact CD1-CG2 3.82Å; L844-I884 HydrophobicContact CD2-CG2 4.34Å; L844-I887 HydrophobicContact CB-CD1 4.03Å; L844-I887 HydrophobicContact CB-CG1 4.44Å
845	S	94.5	Very high	94.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	163.6	174.1	71.2	0	0	0	0	112.4	R830 S832 E847 G848 I849	R830-S845 CarbonylContact O-C 3.47Å; R830-S845 VanDerWaalsContact O-CA 3.24Å; R830-S845 WeakPolarHBondContact O-CA 3.48Å; R830-S845 WeakPolarHBondContact O-CB 3.32Å; S832-S845 PolarHBondContact OG-O 3.36Å; S845-E847 PolarHBondContact O-N 2.88Å; S845-E847 PolarHBondContact OG-N 3.36Å; S845-G848 PolarHBondContact O-N 3.23Å; S845-G848 PolarHBondContact OG-N 2.92Å; S845-I849 PolarHBondContact N-O 2.96Å; S845-I849 WeakPolarHBondContact OG-CB 3.46Å; S845-I849 PolarHBondContact OG-N 2.94Å; S845-I849 PolarHBondContact OG-O 3.36Å
846	D	88.3	Confident	93.9	Very high	77 Å²	77	18.6 Å²	18.6	41%	0.412	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.2	165.4	56.5	-8.4	0	0	0	112.8	R830 G848 R883	R830-D846 WeakPolarHBondContact CB-OD2 3.14Å; R830-D846 PolarHBondContact O-N 2.91Å; R830-D846 VanDerWaalsContact O-OD1 3.11Å; D846-G848 PolarHBondContact O-N 3.21Å; D846-R883 PolarHBondContact O-NH2 2.79Å
847	E	88.8	Confident	93.5	Very high	128 Å²	128	22.1 Å²	22.1	60%	0.598	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.3	170.1	-62.7	-175	166.9	0	0	113.1	S845 I849 R883	S845-E847 PolarHBondContact O-N 2.88Å; S845-E847 PolarHBondContact OG-N 3.36Å; E847-I849 HydrophobicContact CB-CD1 4.16Å; E847-I849 HydrophobicContact CB-CG1 4.15Å; E847-I849 WeakPolarHBondContact OE2-CD1 3.09Å; E847-R883 VanDerWaalsContact O-CG 3.26Å; E847-R883 WeakPolarHBondContact O-CG 3.44Å; E847-R883 PolarHBondContact O-NE 3.02Å
848	G	91.4	Very high	93.1	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	13%	0.134	C	C	.	.			trans	80.7	22.7	-180	0	0	0	0	0	114.1	S845 D846 I884	S845-G848 PolarHBondContact O-N 3.23Å; S845-G848 PolarHBondContact OG-N 2.92Å; D846-G848 PolarHBondContact O-N 3.21Å; G848-I884 PolarHBondContact O-N 3.44Å
849	I	93.6	Very high	92.9	Very high	58 Å²	58	22.5 Å²	22.5	30%	0.297	12%	0.124	S	C	.	.			trans	-88.8	133.3	175.1	-54.7	173	0	0	0	108.7	S845 E847 F851 C875	S845-I849 PolarHBondContact N-O 2.96Å; S845-I849 WeakPolarHBondContact OG-CB 3.46Å; S845-I849 PolarHBondContact OG-N 2.94Å; S845-I849 PolarHBondContact OG-O 3.36Å; E847-I849 HydrophobicContact CB-CD1 4.16Å; E847-I849 HydrophobicContact CB-CG1 4.15Å; E847-I849 WeakPolarHBondContact OE2-CD1 3.09Å; I849-F851 HydrophobicContact CB-CE2 3.91Å; I849-F851 HydrophobicContact CB-CZ 4.37Å; I849-F851 HydrophobicContact CG2-CD2 4.3Å; I849-F851 HydrophobicContact CG2-CE2 3.58Å; I849-F851 HydrophobicContact CG2-CZ 3.71Å; I849-C875 VanDerWaalsContact CG2-SG 3.6Å
850	L	95.2	Very high	92.7	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.8	-178.1	-177.5	61.5	0	0	0	110.8	L842 F843 C875 L876 L878 I887 W908	L842-L850 HydrophobicContact CB-CD1 4.29Å; F843-L850 CarbonylContact O-C 3.57Å; L850-C875 CarbonylContact O-C 3.46Å; L850-C875 WeakPolarHBondContact O-CA 3.49Å; L850-L876 HydrophobicContact CD2-CD2 3.9Å; L850-L876 HydrophobicContact CD2-CG 4.48Å; L850-L876 HydrophobicContact CG-CB 4.45Å; L850-L876 PolarHBondContact O-N 2.84Å; L850-L878 HydrophobicContact CD2-CD1 4.11Å; L850-L878 HydrophobicContact CD2-CG 4.36Å; L850-I887 HydrophobicContact CD1-CG2 3.92Å; L850-W908 HydrophobicContact CD2-CH2 3.69Å; L850-W908 HydrophobicContact CD2-CZ2 3.97Å
851	F	96.4	Very high	92.5	Very high	14 Å²	14	22.6 Å²	22.6	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.8	173.2	-58.3	-98.7	0	0	0	110.9	F824 I829 L842 F843 I849 P873 T874 C875	F824-F851 HydrophobicContact CE1-CB 4.09Å; F824-F851 HydrophobicContact CE1-CD1 4.05Å; F824-F851 AromaticContact CE1-CD2 3.87Å; F824-F851 HydrophobicContact CE1-CD2 3.87Å; F824-F851 HydrophobicContact CE1-CE1 4.47Å; F824-F851 HydrophobicContact CE1-CE2 4.3Å; F824-F851 AromaticContact CE1-CG 3.74Å; F824-F851 HydrophobicContact CE1-CG 3.74Å; F824-F851 HydrophobicContact CZ-CB 3.98Å; F824-F851 HydrophobicContact CZ-CD2 4.46Å; F824-F851 HydrophobicContact CZ-CG 4.16Å; I829-F851 HydrophobicContact CD1-CE1 4.23Å; I829-F851 HydrophobicContact CD1-CE2 4.36Å; I829-F851 HydrophobicContact CD1-CZ 3.7Å; I829-F851 HydrophobicContact CG2-CE2 4.29Å; L842-F851 CarbonylContact C-O 3.58Å; L842-F851 WeakPolarHBondContact CA-O 3.27Å; F843-F851 HydrophobicContact CB-CB 4.23Å; F843-F851 HydrophobicContact CD2-CB 4.38Å; F843-F851 PolarHBondContact N-O 2.87Å; F843-F851 PolarHBondContact O-N 2.96Å; I849-F851 HydrophobicContact CB-CE2 3.91Å; I849-F851 HydrophobicContact CB-CZ 4.37Å; I849-F851 HydrophobicContact CG2-CD2 4.3Å; I849-F851 HydrophobicContact CG2-CE2 3.58Å; I849-F851 HydrophobicContact CG2-CZ 3.71Å; F851-P873 HydrophobicContact CB-CB 4.18Å; F851-T874 CarbonylContact C-O 3.6Å; F851-T874 VanDerWaalsContact CA-O 3.28Å; F851-T874 WeakPolarHBondContact CA-O 3.18Å; F851-C875 HydrophobicContact CD1-CB 4.05Å; F851-C875 HydrophobicContact CE1-CB 3.9Å
852	V	95.8	Very high	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.9	-176.4	-54	0	0	0	0	111.3	T841 L842 L861 L863 T874 L876	T841-V852 WeakPolarHBondContact O-CA 3.49Å; L842-V852 HydrophobicContact CD2-CB 4.08Å; L842-V852 HydrophobicContact CD2-CG1 3.37Å; V852-L861 HydrophobicContact CB-CB 4.42Å; V852-L861 HydrophobicContact CB-CD2 4.21Å; V852-L861 HydrophobicContact CG2-CB 3.88Å; V852-L861 HydrophobicContact CG2-CD2 4.42Å; V852-L863 HydrophobicContact CG2-CD1 4.07Å; V852-L863 HydrophobicContact CG2-CD2 4.35Å; V852-L863 HydrophobicContact CG2-CG 4.13Å; V852-T874 PolarHBondContact N-O 3.1Å; V852-T874 PolarHBondContact O-N 3.13Å; V852-L876 HydrophobicContact CG1-CB 3.94Å; V852-L876 HydrophobicContact CG1-CD2 3.84Å; V852-L876 HydrophobicContact CG2-CB 4.34Å
853	C	96.3	Very high	91.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	164	169.2	74	0	0	0	0	111.9	G805 Q806 H840 T841 L861 V870	G805-C853 PolarHBondContact O-SG 3.23Å; Q806-C853 VanDerWaalsContact C-SG 3.55Å; Q806-C853 PolarHBondContact O-SG 2.87Å; H840-C853 CarbonylContact C-O 3.57Å; H840-C853 WeakPolarHBondContact CA-O 3.27Å; H840-C853 VanDerWaalsContact CB-O 3.3Å; H840-C853 WeakPolarHBondContact CB-O 3.27Å; T841-C853 PolarHBondContact N-O 2.66Å; T841-C853 PolarHBondContact O-N 3.32Å; C853-L861 WeakPolarHBondContact O-CD2 3.2Å; C853-V870 WeakPolarHBondContact CB-O 3.3Å
854	G	95.9	Very high	90.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.6	-150.9	179.2	0	0	0	0	0	114	H804 A839 L861 K869 V870	H804-G854 CarbonylContact O-C 3.59Å; H804-G854 VanDerWaalsContact O-C 3.27Å; H804-G854 WeakPolarHBondContact O-CA 3.44Å; A839-G854 WeakPolarHBondContact O-CA 3.44Å; G854-L861 WeakPolarHBondContact O-CD1 3.27Å; G854-K869 CarbonylContact O-C 3.6Å; G854-K869 WeakPolarHBondContact O-CA 3.26Å; G854-K869 WeakPolarHBondContact O-CB 3.27Å; G854-V870 PolarHBondContact N-O 2.77Å; G854-V870 PolarHBondContact O-N 3.17Å
855	S	93.1	Very high	89.5	Confident	10 Å²	10	31.6 Å²	31.6	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.8	-179.5	-177.6	0	0	0	0	111	A839 A857 Q860 L861	A839-S855 PolarHBondContact O-N 3.17Å; S855-A857 WeakPolarHBondContact OG-CB 3.44Å; S855-A857 PolarHBondContact OG-N 3.32Å; S855-Q860 WeakPolarHBondContact O-CG 3.27Å; S855-Q860 PolarHBondContact O-NE2 3.2Å; S855-Q860 VanDerWaalsContact O-NE2 3.16Å; S855-L861 WeakPolarHBondContact O-CG 3.15Å
856	N	91.1	Very high	88.7	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.059	22%	0.223	C	C	.	.			trans	-113.6	15.9	169	-158.7	33.8	0	0	0	112	R858 A859 Q860 L861 L863 S864 V867 R868	N856-R858 PolarHBondContact O-N 3.06Å; N856-R858 VanDerWaalsContact O-N 3.14Å; N856-A859 PolarHBondContact O-N 2.85Å; N856-A859 VanDerWaalsContact OD1-C 3.23Å; N856-A859 WeakPolarHBondContact OD1-CA 3.43Å; N856-Q860 PolarHBondContact OD1-N 3.02Å; N856-L861 HydrophobicContact CB-CB 4.23Å; N856-L861 HydrophobicContact CB-CD1 3.79Å; N856-L861 HydrophobicContact CB-CG 3.85Å; N856-L861 VanDerWaalsContact OD1-CB 3.31Å; N856-L861 WeakPolarHBondContact OD1-CB 3.43Å; N856-L861 PolarHBondContact OD1-N 3.25Å; N856-L863 PolarHBondContact ND2-O 3.26Å; N856-S864 PolarHBondContact ND2-O 3.04Å; N856-V867 WeakPolarHBondContact CB-O 3.35Å; N856-V867 PolarHBondContact ND2-O 3.46Å; N856-R868 WeakPolarHBondContact CA-O 3.11Å; N856-R868 WeakPolarHBondContact CB-O 3.31Å; N856-R868 PolarHBondContact N-O 3.03Å
857	A	85.8	Confident	88.4	Confident	83 Å²	83	37.8 Å²	37.8	69%	0.686	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.5	-176.5	0	0	0	0	0	113.1	S855	S855-A857 WeakPolarHBondContact OG-CB 3.44Å; S855-A857 PolarHBondContact OG-N 3.32Å
858	R	83.4	Confident	88.3	Confident	75 Å²	75	42 Å²	42	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	21.2	174.4	-58.9	-174.9	171.5	110.8	-4.3	112.6	N856 Q860 G909 K910 S912	N856-R858 PolarHBondContact O-N 3.06Å; N856-R858 VanDerWaalsContact O-N 3.14Å; R858-Q860 PolarHBondContact O-N 3.48Å; R858-Q860 VanDerWaalsContact O-N 3.16Å; R858-G909 CarbonylContact O-C 3.57Å; R858-G909 WeakPolarHBondContact O-CA 3.47Å; R858-K910 HydrophobicContact CB-CB 4.09Å; R858-K910 WeakPolarHBondContact CD-O 3.23Å; R858-K910 WeakPolarHBondContact O-CB 3.43Å; R858-K910 WeakPolarHBondContact O-CG 3.41Å; R858-K910 PolarHBondContact O-N 2.8Å; R858-S912 VanDerWaalsContact CZ-OG 3.27Å; R858-S912 PolarHBondContact NE-OG 3.01Å; R858-S912 VanDerWaalsContact NE-OG 3.09Å; R858-S912 PolarHBondContact NH2-OG 3.49Å
859	A	86.8	Confident	88.3	Confident	7 Å²	7	47.1 Å²	47.1	6%	0.058	25%	0.247	C	C	.	.	S	Bend	trans	56.2	22	-171.9	0	0	0	0	0	114.6	N856 L861 G862 G909 H945	N856-A859 PolarHBondContact O-N 2.85Å; N856-A859 VanDerWaalsContact OD1-C 3.23Å; N856-A859 WeakPolarHBondContact OD1-CA 3.43Å; A859-L861 PolarHBondContact O-N 3.36Å; A859-G862 PolarHBondContact O-N 3.22Å; A859-G909 WeakPolarHBondContact O-CA 3.38Å; A859-H945 HydrophobicContact CB-CB 3.32Å
860	Q	88.1	Confident	88.3	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.8	-177.6	66.4	-129	62	0	0	113.3	H840 S855 N856 R858 S892 N894 W908	H840-Q860 HydrophobicContact CB-CG 4.08Å; S855-Q860 WeakPolarHBondContact O-CG 3.27Å; S855-Q860 PolarHBondContact O-NE2 3.2Å; S855-Q860 VanDerWaalsContact O-NE2 3.16Å; N856-Q860 PolarHBondContact OD1-N 3.02Å; R858-Q860 PolarHBondContact O-N 3.48Å; R858-Q860 VanDerWaalsContact O-N 3.16Å; Q860-S892 VanDerWaalsContact CB-O 3.24Å; Q860-S892 WeakPolarHBondContact CB-O 3.38Å; Q860-N894 PolarHBondContact O-ND2 2.84Å; Q860-W908 PolarHBondContact O-NE1 3.08Å; Q860-W908 VanDerWaalsContact O-NE1 3.12Å
861	L	90.2	Very high	88.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-12.5	171.8	-53.2	-173	0	0	0	112.5	H840 V852 C853 G854 S855 N856 A859 L863 V870 L876	H840-L861 HydrophobicContact CB-CD2 3.64Å; V852-L861 HydrophobicContact CB-CB 4.42Å; V852-L861 HydrophobicContact CB-CD2 4.21Å; V852-L861 HydrophobicContact CG2-CB 3.88Å; V852-L861 HydrophobicContact CG2-CD2 4.42Å; C853-L861 WeakPolarHBondContact O-CD2 3.2Å; G854-L861 WeakPolarHBondContact O-CD1 3.27Å; S855-L861 WeakPolarHBondContact O-CG 3.15Å; N856-L861 HydrophobicContact CB-CB 4.23Å; N856-L861 HydrophobicContact CB-CD1 3.79Å; N856-L861 HydrophobicContact CB-CG 3.85Å; N856-L861 VanDerWaalsContact OD1-CB 3.31Å; N856-L861 WeakPolarHBondContact OD1-CB 3.43Å; N856-L861 PolarHBondContact OD1-N 3.25Å; A859-L861 PolarHBondContact O-N 3.36Å; L861-L863 HydrophobicContact CB-CB 4.38Å; L861-L863 HydrophobicContact CB-CD1 4.06Å; L861-L863 HydrophobicContact CB-CG 3.91Å; L861-L863 HydrophobicContact CD1-CD1 4.07Å; L861-L863 PolarHBondContact O-N 3.5Å; L861-L863 VanDerWaalsContact O-N 3.11Å; L861-V870 HydrophobicContact CD1-CG2 3.23Å; L861-L876 WeakPolarHBondContact O-CD2 3.26Å
862	G	87	Confident	88.2	Confident	7 Å²	7	54.9 Å²	54.9	7%	0.072	28%	0.281	C	S	.	.			trans	67.1	6.7	-175	0	0	0	0	0	114.1	A859 W908 P947	A859-G862 PolarHBondContact O-N 3.22Å; G862-W908 VanDerWaalsContact N-CD1 3.33Å; G862-P947 WeakPolarHBondContact O-CD 3.27Å
863	L	87.1	Confident	88.2	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.131	28%	0.283	C	S	.	.			trans	-81.1	166.8	175.9	-59.6	177.7	0	0	0	110.8	V852 N856 L861 V867 V870 T874 L876	V852-L863 HydrophobicContact CG2-CD1 4.07Å; V852-L863 HydrophobicContact CG2-CD2 4.35Å; V852-L863 HydrophobicContact CG2-CG 4.13Å; N856-L863 PolarHBondContact ND2-O 3.26Å; L861-L863 HydrophobicContact CB-CB 4.38Å; L861-L863 HydrophobicContact CB-CD1 4.06Å; L861-L863 HydrophobicContact CB-CG 3.91Å; L861-L863 HydrophobicContact CD1-CD1 4.07Å; L861-L863 PolarHBondContact O-N 3.5Å; L861-L863 VanDerWaalsContact O-N 3.11Å; L863-V867 HydrophobicContact CB-CB 4.18Å; L863-V867 HydrophobicContact CB-CG1 4.44Å; L863-V867 HydrophobicContact CB-CG2 4.32Å; L863-V867 HydrophobicContact CD1-CG1 3.98Å; L863-V870 HydrophobicContact CD1-CG1 4.48Å; L863-V870 HydrophobicContact CD1-CG2 3.76Å; L863-T874 HydrophobicContact CD1-CG2 4.19Å; L863-T874 HydrophobicContact CD2-CG2 4.22Å; L863-L876 HydrophobicContact CD2-CD1 4.12Å
864	S	79.2	Confident	88.1	Confident	72 Å²	72	57.4 Å²	57.4	50%	0.503	30%	0.296	S	S	.	.			trans	-52.5	153	179.8	77.6	0	0	0	0	112.4	N856 Q866 V867	N856-S864 PolarHBondContact ND2-O 3.04Å; S864-Q866 PolarHBondContact O-N 3.07Å; S864-V867 PolarHBondContact O-N 2.73Å
865	S	72.3	Confident	87.9	Confident	88 Å²	88	60.3 Å²	60.3	62%	0.615	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.1	-179.4	55	0	0	0	0	114.2
866	Q	76.7	Confident	87.8	Confident	166 Å²	166	60.4 Å²	60.4	78%	0.776	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-22.7	176.3	-59.9	-62	-12.6	0	0	112.7	S864 R868	S864-Q866 PolarHBondContact O-N 3.07Å; Q866-R868 PolarHBondContact O-N 2.78Å
867	V	83.2	Confident	87.6	Confident	41 Å²	41	64.8 Å²	64.8	25%	0.248	34%	0.343	C	S	.	.			trans	-83.5	112.9	177.4	-178.8	0	0	0	0	108.5	N856 L863 S864 V870	N856-V867 WeakPolarHBondContact CB-O 3.35Å; N856-V867 PolarHBondContact ND2-O 3.46Å; L863-V867 HydrophobicContact CB-CB 4.18Å; L863-V867 HydrophobicContact CB-CG1 4.44Å; L863-V867 HydrophobicContact CB-CG2 4.32Å; L863-V867 HydrophobicContact CD1-CG1 3.98Å; S864-V867 PolarHBondContact O-N 2.73Å; V867-V870 HydrophobicContact CG1-CG1 3.86Å; V867-V870 HydrophobicContact CG1-CG2 4.44Å
868	R	86.5	Confident	87.6	Confident	218 Å²	218	61 Å²	61	82%	0.823	31%	0.311	S	S	*	.			trans	-84.6	-38.6	176.5	-72.9	-173.2	176.2	164.5	0.2	113.6	N856 Q866	N856-R868 WeakPolarHBondContact CA-O 3.11Å; N856-R868 WeakPolarHBondContact CB-O 3.31Å; N856-R868 PolarHBondContact N-O 3.03Å; Q866-R868 PolarHBondContact O-N 2.78Å
869	K	91.2	Very high	87.4	Confident	109 Å²	109	59.9 Å²	59.9	47%	0.474	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	155	174.6	63.3	176.1	-175.9	175.6	0	109.4	V803 G854	V803-K869 PolarHBondContact O-NZ 3.39Å; G854-K869 CarbonylContact O-C 3.6Å; G854-K869 WeakPolarHBondContact O-CA 3.26Å; G854-K869 WeakPolarHBondContact O-CB 3.27Å
870	V	93.9	Very high	86.9	Confident	30 Å²	30	69.3 Å²	69.3	18%	0.182	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.9	172.1	-90.2	0	0	0	0	108.8	C853 G854 L861 L863 V867	C853-V870 WeakPolarHBondContact CB-O 3.3Å; G854-V870 PolarHBondContact N-O 2.77Å; G854-V870 PolarHBondContact O-N 3.17Å; L861-V870 HydrophobicContact CD1-CG2 3.23Å; L863-V870 HydrophobicContact CD1-CG1 4.48Å; L863-V870 HydrophobicContact CD1-CG2 3.76Å; V867-V870 HydrophobicContact CG1-CG1 3.86Å; V867-V870 HydrophobicContact CG1-CG2 4.44Å
871	S	94.8	Very high	86.3	Confident	38 Å²	38	70.5 Å²	70.5	27%	0.266	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-16.7	-179.6	51.6	0	0	0	0	113.6	G808 H809 G810	G808-S871 CarbonylContact C-O 3.33Å; G808-S871 WeakPolarHBondContact CA-O 3.38Å; H809-S871 PolarHBondContact N-O 2.84Å; G810-S871 VanDerWaalsContact C-CB 3.47Å; G810-S871 VanDerWaalsContact C-OG 3.22Å; G810-S871 WeakPolarHBondContact CA-O 3.41Å; G810-S871 PolarHBondContact N-O 3.42Å; G810-S871 PolarHBondContact O-OG 2.96Å
872	R	93.9	Very high	85.6	Confident	171 Å²	171	77 Å²	77	65%	0.645	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.6	167.1	-70.5	-171.8	167.3	149.2	-5.2	109.1	T874	R872-T874 PolarHBondContact O-N 2.98Å; R872-T874 PolarHBondContact O-OG1 2.97Å
873	P	95.6	Very high	85.7	Confident	5 Å²	5	82.5 Å²	82.5	3%	0.032	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.1	172.1	-21	31.9	0	0	0	110.4	G808 V821 H823 F824 F843 F851	G808-P873 WeakPolarHBondContact O-CD 3.39Å; V821-P873 HydrophobicContact CG1-CG 3.89Å; H823-P873 HydrophobicContact CB-CG 4.2Å; H823-P873 PolarHBondContact NE2-O 2.85Å; F824-P873 HydrophobicContact CD2-CG 4.34Å; F824-P873 HydrophobicContact CE1-CB 3.91Å; F824-P873 HydrophobicContact CE1-CG 4.33Å; F824-P873 HydrophobicContact CE2-CB 3.9Å; F824-P873 HydrophobicContact CE2-CG 3.57Å; F824-P873 HydrophobicContact CZ-CB 3.34Å; F824-P873 HydrophobicContact CZ-CG 3.58Å; F843-P873 HydrophobicContact CD2-CB 4.44Å; F843-P873 HydrophobicContact CE2-CB 4.46Å; F843-P873 HydrophobicContact CE2-CG 4.36Å; F851-P873 HydrophobicContact CB-CB 4.18Å
874	T	94.3	Very high	85.9	Confident	47 Å²	47	81.9 Å²	81.9	29%	0.288	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.1	-178.3	-60.4	0	0	0	0	108.9	F851 V852 L863 R872 L876	F851-T874 CarbonylContact C-O 3.6Å; F851-T874 VanDerWaalsContact CA-O 3.28Å; F851-T874 WeakPolarHBondContact CA-O 3.18Å; V852-T874 PolarHBondContact N-O 3.1Å; V852-T874 PolarHBondContact O-N 3.13Å; L863-T874 HydrophobicContact CD1-CG2 4.19Å; L863-T874 HydrophobicContact CD2-CG2 4.22Å; R872-T874 PolarHBondContact O-N 2.98Å; R872-T874 PolarHBondContact O-OG1 2.97Å; T874-L876 PolarHBondContact O-N 2.87Å
875	C	92.2	Very high	86.4	Confident	61 Å²	61	82.8 Å²	82.8	41%	0.412	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.4	176.3	-176	0	0	0	0	111.1	I849 L850 F851	I849-C875 VanDerWaalsContact CG2-SG 3.6Å; L850-C875 CarbonylContact O-C 3.46Å; L850-C875 WeakPolarHBondContact O-CA 3.49Å; F851-C875 HydrophobicContact CD1-CB 4.05Å; F851-C875 HydrophobicContact CE1-CB 3.9Å
876	L	91.4	Very high	87.3	Confident	12 Å²	12	79.6 Å²	79.6	6%	0.063	40%	0.397	C	S	.	.			trans	-116.4	112.7	175.1	176.9	67.7	0	0	0	109.5	L850 V852 L861 L863 T874 L878 W908 P947	L850-L876 HydrophobicContact CD2-CD2 3.9Å; L850-L876 HydrophobicContact CD2-CG 4.48Å; L850-L876 HydrophobicContact CG-CB 4.45Å; L850-L876 PolarHBondContact O-N 2.84Å; V852-L876 HydrophobicContact CG1-CB 3.94Å; V852-L876 HydrophobicContact CG1-CD2 3.84Å; V852-L876 HydrophobicContact CG2-CB 4.34Å; L861-L876 WeakPolarHBondContact O-CD2 3.26Å; L863-L876 HydrophobicContact CD2-CD1 4.12Å; T874-L876 PolarHBondContact O-N 2.87Å; L876-L878 HydrophobicContact CD2-CD2 3.92Å; L876-L878 HydrophobicContact CG-CD2 3.99Å; L876-W908 HydrophobicContact CD2-CZ2 3.85Å; L876-P947 HydrophobicContact CD1-CG 4.28Å; L876-P947 HydrophobicContact CD2-CG 4.39Å
877	T	86.5	Confident	88.1	Confident	103 Å²	103	71.9 Å²	71.9	63%	0.632	36%	0.361	S	S	*	.			trans	-90	124	175.7	-50	0	0	0	0	110.5	G879	T877-G879 PolarHBondContact O-N 3.09Å
878	L	85.2	Confident	88.5	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	35%	0.351	C	S	.	.			trans	-94.8	90.4	177	-57.5	-172.8	0	0	0	110.4	L850 L876 K880 V881 I884 A896 W906 W908 P947	L850-L878 HydrophobicContact CD2-CD1 4.11Å; L850-L878 HydrophobicContact CD2-CG 4.36Å; L876-L878 HydrophobicContact CD2-CD2 3.92Å; L876-L878 HydrophobicContact CG-CD2 3.99Å; L878-K880 PolarHBondContact O-N 2.88Å; L878-V881 VanDerWaalsContact O-CB 3.24Å; L878-V881 WeakPolarHBondContact O-CB 3.45Å; L878-V881 WeakPolarHBondContact O-CG2 3.32Å; L878-V881 PolarHBondContact O-N 2.73Å; L878-I884 HydrophobicContact CD1-CD1 3.72Å; L878-I884 HydrophobicContact CD1-CG1 4.4Å; L878-I884 HydrophobicContact CG-CD1 4.46Å; L878-A896 HydrophobicContact CD1-CB 3.76Å; L878-W906 HydrophobicContact CB-CD2 4.07Å; L878-W906 HydrophobicContact CB-CE3 4.22Å; L878-W906 HydrophobicContact CB-CG 4.41Å; L878-W906 HydrophobicContact CD1-CB 3.9Å; L878-W906 HydrophobicContact CD1-CD2 4.48Å; L878-W906 HydrophobicContact CD1-CG 4.03Å; L878-W908 HydrophobicContact CD1-CH2 4.42Å; L878-W908 HydrophobicContact CD1-CZ3 4.05Å; L878-W908 HydrophobicContact CD2-CE3 4.46Å; L878-W908 HydrophobicContact CD2-CZ3 4.33Å; L878-P947 HydrophobicContact CD2-CB 3.48Å; L878-P947 VanDerWaalsContact CD2-CB 3.48Å; L878-P947 HydrophobicContact CD2-CG 3.49Å; L878-P947 VanDerWaalsContact CD2-CG 3.49Å
879	G	80.3	Confident	88.7	Confident	51 Å²	51	60.5 Å²	60.5	53%	0.526	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-126	178.4	0	0	0	0	0	112.9	T877	T877-G879 PolarHBondContact O-N 3.09Å
880	K	74.6	Confident	88.3	Confident	206 Å²	206	55.7 Å²	55.7	90%	0.896	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9.2	175	-65.5	-174.8	179.8	-179.1	0	113.1	L878 V882	L878-K880 PolarHBondContact O-N 2.88Å; K880-V882 PolarHBondContact O-N 3.29Å
881	V	76.5	Confident	87.7	Confident	27 Å²	27	55.4 Å²	55.4	16%	0.164	29%	0.294	C	S	.	.			trans	-67.9	123.1	-177.8	178.2	0	0	0	0	109.5	L878 R883 I884 S898 E904 W906	L878-V881 VanDerWaalsContact O-CB 3.24Å; L878-V881 WeakPolarHBondContact O-CB 3.45Å; L878-V881 WeakPolarHBondContact O-CG2 3.32Å; L878-V881 PolarHBondContact O-N 2.73Å; V881-R883 WeakPolarHBondContact CG1-O 3.34Å; V881-I884 HydrophobicContact CB-CD1 4.47Å; V881-I884 HydrophobicContact CG1-CD1 3.64Å; V881-S898 VanDerWaalsContact CG1-CB 3.44Å; V881-E904 WeakPolarHBondContact CG2-OE2 3.27Å; V881-W906 HydrophobicContact CG2-CZ2 3.9Å
882	V	75.3	Confident	87.2	Confident	137 Å²	137	53.6 Å²	53.6	83%	0.83	28%	0.282	S	S	*	.			trans	-80.9	-35.4	-179.3	-176.6	0	0	0	0	111.3	K880	K880-V882 PolarHBondContact O-N 3.29Å
883	R	88.9	Confident	86.8	Confident	121 Å²	121	46.2 Å²	46.2	46%	0.457	26%	0.256	S	S	.	.			trans	-144.3	128.5	-171.5	-143.6	172.7	-168.7	-162.6	0.9	112.9	D846 E847 V881 S898 D899	D846-R883 PolarHBondContact O-NH2 2.79Å; E847-R883 VanDerWaalsContact O-CG 3.26Å; E847-R883 WeakPolarHBondContact O-CG 3.44Å; E847-R883 PolarHBondContact O-NE 3.02Å; V881-R883 WeakPolarHBondContact CG1-O 3.34Å; R883-S898 WeakPolarHBondContact O-CA 3.29Å; R883-D899 HydrophobicContact CB-CB 4.26Å; R883-D899 PolarHBondContact O-N 2.96Å
884	I	92.5	Very high	86.6	Confident	13 Å²	13	46 Å²	46	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.1	174.3	-58	-59	0	0	0	109.8	L844 G848 L878 V881 I887 A896	L844-I884 HydrophobicContact CD1-CB 3.66Å; L844-I884 HydrophobicContact CD1-CG2 3.82Å; L844-I884 HydrophobicContact CD2-CG2 4.34Å; G848-I884 PolarHBondContact O-N 3.44Å; L878-I884 HydrophobicContact CD1-CD1 3.72Å; L878-I884 HydrophobicContact CD1-CG1 4.4Å; L878-I884 HydrophobicContact CG-CD1 4.46Å; V881-I884 HydrophobicContact CB-CD1 4.47Å; V881-I884 HydrophobicContact CG1-CD1 3.64Å; I884-I887 HydrophobicContact CG2-CG2 3.89Å; I884-A896 HydrophobicContact CD1-CB 4.48Å; I884-A896 HydrophobicContact CG2-CB 4.08Å
885	K	88.7	Confident	86.5	Confident	90 Å²	90	43.9 Å²	43.9	39%	0.391	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43.9	-176	-175	177.4	-172.5	165.6	0	112.7	L897 D899 E958	K885-L897 HydrophobicContact CD-CD2 4.38Å; K885-L897 PolarHBondContact N-O 3.32Å; K885-D899 HydrophobicContact CB-CB 4.11Å; K885-D899 WeakPolarHBondContact CD-OD1 3.47Å; K885-D899 IonicContact NZ-OD1 3.12Å; K885-E958 IonicContact NZ-OE1 2.71Å
886	C	90.6	Very high	86.5	Confident	22 Å²	22	41 Å²	41	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.9	179.4	62.5	0	0	0	0	112.5	A896 L897	C886-A896 WeakPolarHBondContact O-CA 3.34Å; C886-L897 PolarHBondContact N-O 2.82Å; C886-L897 PolarHBondContact O-N 2.9Å; C886-L897 WeakPolarHBondContact SG-CB 3.45Å
887	I	94.5	Very high	86.6	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.6	-175.1	52.1	164.3	0	0	0	111.3	D833 Q835 L842 L844 L850 I884 L895 A896	D833-I887 HydrophobicContact CB-CD1 4.12Å; D833-I887 HydrophobicContact CB-CG1 4.04Å; Q835-I887 HydrophobicContact CB-CD1 4.13Å; Q835-I887 HydrophobicContact CG-CB 4.46Å; Q835-I887 HydrophobicContact CG-CD1 3.82Å; Q835-I887 HydrophobicContact CG-CG1 3.75Å; Q835-I887 WeakPolarHBondContact CG-O 3.3Å; Q835-I887 PolarHBondContact NE2-O 2.87Å; Q835-I887 VanDerWaalsContact NE2-O 3.16Å; L842-I887 HydrophobicContact CB-CD1 3.95Å; L844-I887 HydrophobicContact CB-CD1 4.03Å; L844-I887 HydrophobicContact CB-CG1 4.44Å; L850-I887 HydrophobicContact CD1-CG2 3.92Å; I884-I887 HydrophobicContact CG2-CG2 3.89Å; I887-L895 WeakPolarHBondContact CA-O 3.13Å; I887-A896 HydrophobicContact CG2-CB 4.13Å
888	A	92.2	Very high	86.7	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.033	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	138.2	171.8	0	0	0	0	0	111.9	N894 L895 V962 C964	A888-N894 WeakPolarHBondContact O-CA 3.37Å; A888-L895 PolarHBondContact N-O 3.28Å; A888-L895 PolarHBondContact O-N 2.79Å; A888-V962 HydrophobicContact CB-CG2 3.94Å; A888-C964 HydrophobicContact CB-CB 4.07Å; A888-C964 VanDerWaalsContact CB-SG 3.59Å; A888-C964 PolarHBondContact O-SG 3.33Å; A888-C964 VanDerWaalsContact O-SG 3.39Å
889	C	89.5	Confident	86.6	Confident	17 Å²	17	39.1 Å²	39.1	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.4	-178.9	-74.2	0	0	0	0	112.1	Q835 L842 C964	Q835-C889 HydrophobicContact CB-CB 3.99Å; Q835-C889 WeakPolarHBondContact CB-SG 3.44Å; Q835-C889 PolarHBondContact O-SG 2.82Å; L842-C889 WeakPolarHBondContact CD1-SG 3.02Å; L842-C889 WeakPolarHBondContact CG-SG 3.09Å; C889-C964 VanDerWaalsContact O-CB 3.23Å; C889-C964 WeakPolarHBondContact O-CB 3.45Å
890	S	82.9	Confident	86.2	Confident	8 Å²	8	38.1 Å²	38.1	6%	0.056	20%	0.198	C	C	.	.			trans	-101.5	-167.4	163.8	-174.9	0	0	0	0	110	G837 S892 T893 G965 F966	G837-S890 VanDerWaalsContact CA-O 3.31Å; G837-S890 WeakPolarHBondContact CA-O 3.46Å; S890-S892 VanDerWaalsContact C-N 3.27Å; S890-S892 PolarHBondContact O-N 2.82Å; S890-T893 WeakPolarHBondContact CA-O 3.35Å; S890-T893 WeakPolarHBondContact CB-O 3.47Å; S890-T893 PolarHBondContact N-O 3.26Å; S890-G965 WeakPolarHBondContact CB-O 3.49Å; S890-G965 PolarHBondContact OG-O 2.81Å; S890-F966 VanDerWaalsContact OG-C 3.29Å; S890-F966 PolarHBondContact OG-O 2.8Å
891	L	81.2	Confident	85.9	Confident	24 Å²	24	36 Å²	36	13%	0.126	19%	0.191	C	C	.	.	S	Bend	trans	-53	-46.2	169.8	-167.4	93.3	0	0	0	111.4	Y838 F966	Y838-L891 WeakPolarHBondContact CB-O 3.47Å; Y838-L891 HydrophobicContact CD2-CD1 3.5Å; Y838-L891 HydrophobicContact CD2-CG 4.23Å; Y838-L891 HydrophobicContact CE2-CD1 4.37Å; Y838-L891 HydrophobicContact CG-CD1 3.79Å; Y838-L891 HydrophobicContact CG-CG 4.01Å; Y838-L891 PolarHBondContact N-O 2.62Å; L891-F966 HydrophobicContact CB-CD2 4.07Å; L891-F966 HydrophobicContact CB-CE2 4.22Å; L891-F966 HydrophobicContact CD1-CD2 3.83Å; L891-F966 HydrophobicContact CD1-CE2 3.51Å; L891-F966 HydrophobicContact CD2-CD2 4.48Å; L891-F966 HydrophobicContact CD2-CE2 3.79Å; L891-F966 HydrophobicContact CD2-CZ 4.03Å; L891-F966 HydrophobicContact CG-CD2 4.33Å; L891-F966 HydrophobicContact CG-CE2 4.03Å
892	S	84.3	Confident	85.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-152.6	4.8	-175.5	51.6	0	0	0	0	114.2	Q860 S890 G909 K910	Q860-S892 VanDerWaalsContact CB-O 3.24Å; Q860-S892 WeakPolarHBondContact CB-O 3.38Å; S890-S892 VanDerWaalsContact C-N 3.27Å; S890-S892 PolarHBondContact O-N 2.82Å; S892-G909 CarbonylContact O-C 3.52Å; S892-G909 WeakPolarHBondContact O-CA 3.39Å; S892-K910 PolarHBondContact O-N 3.25Å; S892-K910 PolarHBondContact OG-O 3.42Å
893	T	86.1	Confident	86	Confident	16 Å²	16	34.2 Å²	34.2	10%	0.098	18%	0.184	C	C	.	.			trans	-118.5	143.5	176.1	-59.6	0	0	0	0	108.4	S890 W908 G909 F969	S890-T893 WeakPolarHBondContact CA-O 3.35Å; S890-T893 WeakPolarHBondContact CB-O 3.47Å; S890-T893 PolarHBondContact N-O 3.26Å; T893-W908 CarbonylContact C-O 3.53Å; T893-W908 VanDerWaalsContact CA-O 3.22Å; T893-W908 WeakPolarHBondContact CA-O 3.49Å; T893-G909 PolarHBondContact OG1-O 3.32Å; T893-F969 HydrophobicContact CG2-CE1 3.78Å; T893-F969 HydrophobicContact CG2-CZ 3.58Å
894	N	91.7	Very high	85.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156	-178	-52	-57.4	0	0	0	110.5	H840 L842 Q860 A888 S907 W908	H840-N894 PolarHBondContact NE2-OD1 2.07Å; L842-N894 HydrophobicContact CD1-CB 3.84Å; Q860-N894 PolarHBondContact O-ND2 2.84Å; A888-N894 WeakPolarHBondContact O-CA 3.37Å; N894-S907 VanDerWaalsContact O-CA 3.25Å; N894-S907 WeakPolarHBondContact O-CA 3.35Å; N894-W908 HydrophobicContact CB-CD2 3.93Å; N894-W908 HydrophobicContact CB-CE3 4.29Å; N894-W908 HydrophobicContact CB-CH2 3.91Å; N894-W908 HydrophobicContact CB-CZ2 3.54Å; N894-W908 HydrophobicContact CB-CZ3 4.27Å; N894-W908 PolarHBondContact N-O 3.19Å; N894-W908 PolarHBondContact ND2-NE1 3.3Å; N894-W908 PolarHBondContact O-N 2.75Å
895	L	92.3	Very high	85.6	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.3	170.9	-64.1	178.1	0	0	0	110	I887 A888 L905 W906 V962 F969 W981	I887-L895 WeakPolarHBondContact CA-O 3.13Å; A888-L895 PolarHBondContact N-O 3.28Å; A888-L895 PolarHBondContact O-N 2.79Å; L895-L905 HydrophobicContact CB-CD1 4.33Å; L895-L905 HydrophobicContact CD2-CD1 4.41Å; L895-W906 VanDerWaalsContact CA-O 3.28Å; L895-W906 WeakPolarHBondContact CA-O 3.24Å; L895-V962 HydrophobicContact CB-CB 4.45Å; L895-V962 HydrophobicContact CB-CG2 4.44Å; L895-F969 HydrophobicContact CD1-CB 4.05Å; L895-F969 HydrophobicContact CD1-CD1 3.95Å; L895-F969 HydrophobicContact CD1-CG 4.27Å; L895-F969 HydrophobicContact CG-CD1 4.32Å; L895-W981 HydrophobicContact CD1-CH2 3.89Å; L895-W981 HydrophobicContact CD1-CZ2 3.87Å; L895-W981 HydrophobicContact CD2-CZ2 4.24Å
896	A	92.4	Very high	85.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.7	169.3	0	0	0	0	0	110.3	L878 I884 C886 I887 L905 W906 W908	L878-A896 HydrophobicContact CD1-CB 3.76Å; I884-A896 HydrophobicContact CD1-CB 4.48Å; I884-A896 HydrophobicContact CG2-CB 4.08Å; C886-A896 WeakPolarHBondContact O-CA 3.34Å; I887-A896 HydrophobicContact CG2-CB 4.13Å; A896-L905 CarbonylContact O-C 3.51Å; A896-W906 PolarHBondContact N-O 2.75Å; A896-W906 PolarHBondContact O-N 3.16Å; A896-W908 HydrophobicContact CB-CH2 3.82Å; A896-W908 HydrophobicContact CB-CZ3 3.73Å
897	L	92.2	Very high	85.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.1	175.7	-172.2	72.9	0	0	0	109.5	K885 C886 A903 E904 L905 I959 V962	K885-L897 HydrophobicContact CD-CD2 4.38Å; K885-L897 PolarHBondContact N-O 3.32Å; C886-L897 PolarHBondContact N-O 2.82Å; C886-L897 PolarHBondContact O-N 2.9Å; C886-L897 WeakPolarHBondContact SG-CB 3.45Å; L897-A903 HydrophobicContact CD1-CB 3.95Å; L897-A903 HydrophobicContact CG-CB 4.22Å; L897-E904 WeakPolarHBondContact CA-O 3.06Å; L897-L905 HydrophobicContact CD1-CB 4.43Å; L897-I959 HydrophobicContact CD1-CB 4Å; L897-I959 HydrophobicContact CD1-CD1 4.08Å; L897-I959 HydrophobicContact CD1-CG2 4.06Å; L897-I959 HydrophobicContact CD2-CB 4.09Å; L897-I959 HydrophobicContact CD2-CG2 3.81Å; L897-V962 HydrophobicContact CB-CG1 4.3Å
898	S	89.4	Confident	85.1	Confident	5 Å²	5	29.6 Å²	29.6	4%	0.035	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	157	173.6	73.2	0	0	0	0	112.5	V881 R883 G900 A903 E904	V881-S898 VanDerWaalsContact CG1-CB 3.44Å; R883-S898 WeakPolarHBondContact O-CA 3.29Å; S898-G900 PolarHBondContact O-N 2.9Å; S898-A903 WeakPolarHBondContact O-CB 3.29Å; S898-E904 PolarHBondContact N-O 2.97Å; S898-E904 PolarHBondContact OG-N 3.32Å
899	D	82.5	Confident	84.7	Confident	75 Å²	75	30.6 Å²	30.6	40%	0.401	18%	0.179	S	C	.	.	S	Bend	trans	-84.8	16.8	176.8	-158.7	31.3	0	0	0	113.3	R883 K885	R883-D899 HydrophobicContact CB-CB 4.26Å; R883-D899 PolarHBondContact O-N 2.96Å; K885-D899 HydrophobicContact CB-CB 4.11Å; K885-D899 WeakPolarHBondContact CD-OD1 3.47Å; K885-D899 IonicContact NZ-OD1 3.12Å
900	G	71.3	Confident	83.9	Confident	30 Å²	30	33.8 Å²	33.8	31%	0.309	19%	0.191	S	C	.	.	S	Bend	trans	-81	166.3	-176.8	0	0	0	0	0	114.3	S898 P902 A903	S898-G900 PolarHBondContact O-N 2.9Å; G900-P902 CarbonylContact C-O 3.5Å; G900-P902 CarbonylContact O-C 3.52Å; G900-A903 WeakPolarHBondContact O-CA 3.33Å; G900-A903 PolarHBondContact O-N 3.4Å
901	H	69.1	Low	82.6	Confident	162 Å²	162	34.4 Å²	34.4	75%	0.75	20%	0.196	S	C	*	.	S	Bend	trans	-118.5	98.9	162.8	-69.6	-56.4	0	0	0	108.7	E958	H901-E958 IonicContact CE1-OE1 3.2Å; H901-E958 IonicContact CE1-OE2 3.15Å
902	P	71.8	Confident	81.1	Confident	113 Å²	113	36.2 Å²	36.2	73%	0.734	21%	0.21	S	C	*	.	S	Bend	cis	-78.3	150.3	8	31.9	-34.7	0	0	0	113.7	G900	G900-P902 CarbonylContact C-O 3.5Å; G900-P902 CarbonylContact O-C 3.52Å
903	A	81.8	Confident	79.5	Confident	14 Å²	14	38.6 Å²	38.6	12%	0.116	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-74.9	126.8	173.4	0	0	0	0	0	109	L897 S898 G900	L897-A903 HydrophobicContact CD1-CB 3.95Å; L897-A903 HydrophobicContact CG-CB 4.22Å; S898-A903 WeakPolarHBondContact O-CB 3.29Å; G900-A903 WeakPolarHBondContact O-CA 3.33Å; G900-A903 PolarHBondContact O-N 3.4Å
904	E	84.7	Confident	77.5	Confident	85 Å²	85	39 Å²	39	40%	0.397	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-96.3	128.8	-179.5	-62.6	-177.6	167.4	0	0	109.8	V881 L897 S898 W906	V881-E904 WeakPolarHBondContact CG2-OE2 3.27Å; L897-E904 WeakPolarHBondContact CA-O 3.06Å; S898-E904 PolarHBondContact N-O 2.97Å; S898-E904 PolarHBondContact OG-N 3.32Å; E904-W906 PolarHBondContact OE2-NE1 2.94Å; E904-W906 VanDerWaalsContact OE2-NE1 3.14Å
905	L	88	Confident	75	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.1	172.8	-179.2	64.2	0	0	0	109.2	L895 A896 L897 P949 V950 T952 I959 V962 V971 W981	L895-L905 HydrophobicContact CB-CD1 4.33Å; L895-L905 HydrophobicContact CD2-CD1 4.41Å; A896-L905 CarbonylContact O-C 3.51Å; L897-L905 HydrophobicContact CD1-CB 4.43Å; L905-P949 CarbonylContact O-C 3.54Å; L905-P949 WeakPolarHBondContact O-CA 3.41Å; L905-V950 HydrophobicContact CB-CB 4.19Å; L905-V950 HydrophobicContact CD2-CB 3.96Å; L905-V950 HydrophobicContact CD2-CG1 3.99Å; L905-V950 HydrophobicContact CD2-CG2 4.31Å; L905-V950 HydrophobicContact CG-CB 3.97Å; L905-V950 HydrophobicContact CG-CG2 4.12Å; L905-V950 PolarHBondContact O-N 3.24Å; L905-T952 HydrophobicContact CB-CG2 3.68Å; L905-T952 HydrophobicContact CD2-CG2 4Å; L905-I959 HydrophobicContact CB-CD1 4.45Å; L905-V962 HydrophobicContact CD1-CG1 3.7Å; L905-V971 HydrophobicContact CD2-CG2 4.09Å; L905-W981 HydrophobicContact CD2-CH2 4.11Å; L905-W981 HydrophobicContact CD2-CZ2 4.38Å
906	W	88.5	Confident	72.6	Confident	23 Å²	23	49.6 Å²	49.6	9%	0.087	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145	179.7	-71.1	76.7	0	0	0	110.7	L878 V881 L895 A896 E904 W908 P947	L878-W906 HydrophobicContact CB-CD2 4.07Å; L878-W906 HydrophobicContact CB-CE3 4.22Å; L878-W906 HydrophobicContact CB-CG 4.41Å; L878-W906 HydrophobicContact CD1-CB 3.9Å; L878-W906 HydrophobicContact CD1-CD2 4.48Å; L878-W906 HydrophobicContact CD1-CG 4.03Å; V881-W906 HydrophobicContact CG2-CZ2 3.9Å; L895-W906 VanDerWaalsContact CA-O 3.28Å; L895-W906 WeakPolarHBondContact CA-O 3.24Å; A896-W906 PolarHBondContact N-O 2.75Å; A896-W906 PolarHBondContact O-N 3.16Å; E904-W906 PolarHBondContact OE2-NE1 2.94Å; E904-W906 VanDerWaalsContact OE2-NE1 3.14Å; W906-W908 HydrophobicContact CB-CZ3 4.44Å; W906-P947 HydrophobicContact CE3-CB 3.99Å; W906-P947 HydrophobicContact CZ3-CB 4.46Å; W906-P947 WeakPolarHBondContact CZ3-O 3.44Å
907	S	88	Confident	70.1	Confident	33 Å²	33	59 Å²	59	23%	0.231	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.7	176.2	71.3	0	0	0	0	112.6	N894 V948 V950	N894-S907 VanDerWaalsContact O-CA 3.25Å; N894-S907 WeakPolarHBondContact O-CA 3.35Å; S907-V948 PolarHBondContact N-O 3.48Å; S907-V948 PolarHBondContact O-N 3.49Å; S907-V950 WeakPolarHBondContact OG-CG2 3.46Å
908	W	88	Confident	67.6	Low	9 Å²	9	62.4 Å²	62.4	3%	0.034	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.4	175.6	66.2	99.9	0	0	0	112.7	L842 L850 Q860 G862 L876 L878 T893 N894 A896 W906 P947	L842-W908 HydrophobicContact CD1-CH2 4.34Å; L842-W908 HydrophobicContact CD1-CZ2 3.9Å; L842-W908 HydrophobicContact CD2-CZ2 4.06Å; L850-W908 HydrophobicContact CD2-CH2 3.69Å; L850-W908 HydrophobicContact CD2-CZ2 3.97Å; Q860-W908 PolarHBondContact O-NE1 3.08Å; Q860-W908 VanDerWaalsContact O-NE1 3.12Å; G862-W908 VanDerWaalsContact N-CD1 3.33Å; L876-W908 HydrophobicContact CD2-CZ2 3.85Å; L878-W908 HydrophobicContact CD1-CH2 4.42Å; L878-W908 HydrophobicContact CD1-CZ3 4.05Å; L878-W908 HydrophobicContact CD2-CE3 4.46Å; L878-W908 HydrophobicContact CD2-CZ3 4.33Å; T893-W908 CarbonylContact C-O 3.53Å; T893-W908 VanDerWaalsContact CA-O 3.22Å; T893-W908 WeakPolarHBondContact CA-O 3.49Å; N894-W908 HydrophobicContact CB-CD2 3.93Å; N894-W908 HydrophobicContact CB-CE3 4.29Å; N894-W908 HydrophobicContact CB-CH2 3.91Å; N894-W908 HydrophobicContact CB-CZ2 3.54Å; N894-W908 HydrophobicContact CB-CZ3 4.27Å; N894-W908 PolarHBondContact N-O 3.19Å; N894-W908 PolarHBondContact ND2-NE1 3.3Å; N894-W908 PolarHBondContact O-N 2.75Å; A896-W908 HydrophobicContact CB-CH2 3.82Å; A896-W908 HydrophobicContact CB-CZ3 3.73Å; W906-W908 HydrophobicContact CB-CZ3 4.44Å; W908-P947 HydrophobicContact CB-CB 4.05Å; W908-P947 HydrophobicContact CB-CG 4.02Å; W908-P947 HydrophobicContact CD2-CB 4.37Å; W908-P947 HydrophobicContact CD2-CG 4.21Å; W908-P947 HydrophobicContact CE3-CB 4.14Å; W908-P947 HydrophobicContact CE3-CG 4.41Å; W908-P947 HydrophobicContact CG-CB 4.4Å; W908-P947 HydrophobicContact CG-CG 4.08Å
909	G	83.4	Confident	65.1	Low	25 Å²	25	65 Å²	65	26%	0.258	34%	0.338	S	S	.	.			trans	94.4	158.5	-178.5	0	0	0	0	0	115	R858 A859 S892 T893	R858-G909 CarbonylContact O-C 3.57Å; R858-G909 WeakPolarHBondContact O-CA 3.47Å; A859-G909 WeakPolarHBondContact O-CA 3.38Å; S892-G909 CarbonylContact O-C 3.52Å; S892-G909 WeakPolarHBondContact O-CA 3.39Å; T893-G909 PolarHBondContact OG1-O 3.32Å
910	K	71.7	Confident	63.2	Low	84 Å²	84	64.8 Å²	64.8	37%	0.365	34%	0.337	S	S	.	.			trans	-109.3	113.9	-171.6	-63.1	175.1	-178.3	170.3	0	112.2	R858 S892 S912 H945	R858-K910 HydrophobicContact CB-CB 4.09Å; R858-K910 WeakPolarHBondContact CD-O 3.23Å; R858-K910 WeakPolarHBondContact O-CB 3.43Å; R858-K910 WeakPolarHBondContact O-CG 3.41Å; R858-K910 PolarHBondContact O-N 2.8Å; S892-K910 PolarHBondContact O-N 3.25Å; S892-K910 PolarHBondContact OG-O 3.42Å; K910-S912 PolarHBondContact O-N 2.75Å; K910-H945 WeakPolarHBondContact CE-CE1 3.32Å; K910-H945 WeakPolarHBondContact CE-ND1 3.06Å; K910-H945 WeakPolarHBondContact CE-NE2 3.49Å; K910-H945 PolarHBondContact NZ-CE1 2.57Å; K910-H945 PolarHBondContact NZ-NE2 2.72Å
911	S	56.7	Low	61.8	Low	22 Å²	22	67.5 Å²	67.5	15%	0.154	34%	0.343	C	S	.	.			trans	-72.1	121.2	167.3	-176.5	0	0	0	0	111.1
912	S	49.9	Very low	60.2	Low	61 Å²	61	64.2 Å²	64.2	43%	0.427	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.8	-168.1	56.3	0	0	0	0	117.4	R858 K910	R858-S912 VanDerWaalsContact CZ-OG 3.27Å; R858-S912 PolarHBondContact NE-OG 3.01Å; R858-S912 VanDerWaalsContact NE-OG 3.09Å; R858-S912 PolarHBondContact NH2-OG 3.49Å; K910-S912 PolarHBondContact O-N 2.75Å
913	S	49.5	Very low	58.9	Low	51 Å²	51	65.8 Å²	65.8	36%	0.357	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-29.7	-173.1	42.9	0	0	0	0	115.8
914	S	43.8	Very low	57.1	Low	23 Å²	23	75.6 Å²	75.6	16%	0.161	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-33.1	-172.3	-66.3	0	0	0	0	115	Q916 R917 F918 R996	S914-Q916 PolarHBondContact O-N 3.01Å; S914-R917 PolarHBondContact O-N 2.74Å; S914-F918 VanDerWaalsContact O-CB 3.31Å; S914-F918 WeakPolarHBondContact O-CB 3.48Å; S914-F918 PolarHBondContact O-N 3.49Å; S914-R996 VanDerWaalsContact CB-NH2 3.3Å; S914-R996 PolarHBondContact OG-NH2 2.82Å
915	W	40.4	Very low	54.9	Low	129 Å²	129	82.2 Å²	82.2	49%	0.489	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.9	-172.4	-113.9	0	0	0	112.4	F918 L919 K998	W915-F918 HydrophobicContact CE3-CD1 4.4Å; W915-F918 HydrophobicContact CZ3-CD1 4.33Å; W915-F918 PolarHBondContact O-N 2.81Å; W915-L919 WeakPolarHBondContact O-CG 3.41Å; W915-L919 PolarHBondContact O-N 2.88Å; W915-K998 HydrophobicContact CH2-CD 4.26Å; W915-K998 HydrophobicContact CZ3-CD 4.17Å; W915-K998 HydrophobicContact CZ3-CG 4.33Å
916	Q	40.7	Very low	52.6	Low	96 Å²	96	85.2 Å²	85.2	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-72.2	-35.6	178.4	-159	69.6	17.7	0	0	112.6	S914 F918 L919 N920	S914-Q916 PolarHBondContact O-N 3.01Å; Q916-F918 VanDerWaalsContact C-N 3.35Å; Q916-L919 PolarHBondContact O-N 3.18Å; Q916-N920 VanDerWaalsContact O-CB 3.3Å; Q916-N920 WeakPolarHBondContact O-CB 3.46Å; Q916-N920 PolarHBondContact O-N 3.41Å; Q916-N920 PolarHBondContact O-ND2 3.32Å
917	R	40.5	Very low	50.1	Low	198 Å²	198	87.7 Å²	87.7	75%	0.747	44%	0.437	S	S	*	.	H	α-helix	trans	-63.7	-41.4	172.3	-96.1	-178.9	170.4	171.6	-2.8	111.1	S914 N920 M921	S914-R917 PolarHBondContact O-N 2.74Å; R917-N920 PolarHBondContact O-N 3.4Å; R917-M921 VanDerWaalsContact O-CB 3.3Å; R917-M921 WeakPolarHBondContact O-CB 3.48Å; R917-M921 PolarHBondContact O-N 2.74Å
918	F	40.3	Very low	47.4	Very low	71 Å²	71	95 Å²	95	31%	0.311	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-45.1	175	177.1	-102.6	0	0	0	112.2	S914 W915 Q916 N920 M921 L922	S914-F918 VanDerWaalsContact O-CB 3.31Å; S914-F918 WeakPolarHBondContact O-CB 3.48Å; S914-F918 PolarHBondContact O-N 3.49Å; W915-F918 HydrophobicContact CE3-CD1 4.4Å; W915-F918 HydrophobicContact CZ3-CD1 4.33Å; W915-F918 PolarHBondContact O-N 2.81Å; Q916-F918 VanDerWaalsContact C-N 3.35Å; F918-N920 VanDerWaalsContact C-N 3.32Å; F918-N920 PolarHBondContact O-N 3.1Å; F918-M921 HydrophobicContact CD2-CE 3.6Å; F918-M921 HydrophobicContact CE2-CE 3.93Å; F918-M921 PolarHBondContact O-N 3.42Å; F918-L922 HydrophobicContact CD1-CD1 3.92Å; F918-L922 HydrophobicContact CE1-CD1 3.37Å; F918-L922 HydrophobicContact CE1-CG 4.26Å; F918-L922 HydrophobicContact CE2-CD1 4.36Å; F918-L922 HydrophobicContact CE2-CG 4.45Å; F918-L922 HydrophobicContact CZ-CD1 3.62Å; F918-L922 HydrophobicContact CZ-CD2 4.49Å; F918-L922 HydrophobicContact CZ-CG 4.14Å; F918-L922 PolarHBondContact O-N 2.83Å
919	L	37.6	Very low	44.6	Very low	59 Å²	59	102.9 Å²	102.9	31%	0.309	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-39.7	173.4	-72.8	174.2	0	0	0	112.1	W915 Q916 K923	W915-L919 WeakPolarHBondContact O-CG 3.41Å; W915-L919 PolarHBondContact O-N 2.88Å; Q916-L919 PolarHBondContact O-N 3.18Å; L919-K923 WeakPolarHBondContact O-CG 3.38Å; L919-K923 PolarHBondContact O-N 3.17Å; L919-K923 VanDerWaalsContact O-N 3.14Å
920	N	41.7	Very low	42.1	Very low	71 Å²	71	108 Å²	108	38%	0.38	53%	0.527	S	S	.	.	H	α-helix	trans	-71.1	-32.7	176.7	-73.4	-15.9	0	0	0	112.7	Q916 R917 F918 K923 R924	Q916-N920 VanDerWaalsContact O-CB 3.3Å; Q916-N920 WeakPolarHBondContact O-CB 3.46Å; Q916-N920 PolarHBondContact O-N 3.41Å; Q916-N920 PolarHBondContact O-ND2 3.32Å; R917-N920 PolarHBondContact O-N 3.4Å; F918-N920 VanDerWaalsContact C-N 3.32Å; F918-N920 PolarHBondContact O-N 3.1Å; N920-K923 PolarHBondContact O-N 3.35Å; N920-R924 WeakPolarHBondContact O-CG 3.3Å; N920-R924 PolarHBondContact O-N 3.45Å
921	M	41.3	Very low	40.1	Very low	88 Å²	88	111.4 Å²	111.4	43%	0.433	55%	0.547	S	S	.	.	H	α-helix	trans	-70.3	-40	174.6	-177	-166.7	63.9	0	0	111.6	R917 F918 K923 R924 R925	R917-M921 VanDerWaalsContact O-CB 3.3Å; R917-M921 WeakPolarHBondContact O-CB 3.48Å; R917-M921 PolarHBondContact O-N 2.74Å; F918-M921 HydrophobicContact CD2-CE 3.6Å; F918-M921 HydrophobicContact CE2-CE 3.93Å; F918-M921 PolarHBondContact O-N 3.42Å; M921-K923 VanDerWaalsContact C-N 3.3Å; M921-K923 PolarHBondContact O-N 3.3Å; M921-R924 PolarHBondContact O-N 3.4Å; M921-R924 VanDerWaalsContact O-N 3.07Å; M921-R925 PolarHBondContact O-N 3.06Å
922	L	36.7	Very low	39	Very low	92 Å²	92	114.6 Å²	114.6	48%	0.482	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-39	172.3	-77.9	170	0	0	0	111.8	F918 R924 R925 G926	F918-L922 HydrophobicContact CD1-CD1 3.92Å; F918-L922 HydrophobicContact CE1-CD1 3.37Å; F918-L922 HydrophobicContact CE1-CG 4.26Å; F918-L922 HydrophobicContact CE2-CD1 4.36Å; F918-L922 HydrophobicContact CE2-CG 4.45Å; F918-L922 HydrophobicContact CZ-CD1 3.62Å; F918-L922 HydrophobicContact CZ-CD2 4.49Å; F918-L922 HydrophobicContact CZ-CG 4.14Å; F918-L922 PolarHBondContact O-N 2.83Å; L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.09Å; L922-R925 PolarHBondContact O-N 3.43Å; L922-G926 PolarHBondContact O-N 2.52Å
923	K	43.9	Very low	38.6	Very low	147 Å²	147	121.9 Å²	121.9	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-63.5	-28.6	173	-74.6	177.2	-179.6	178.2	0	113.5	L919 N920 M921	L919-K923 WeakPolarHBondContact O-CG 3.38Å; L919-K923 PolarHBondContact O-N 3.17Å; L919-K923 VanDerWaalsContact O-N 3.14Å; N920-K923 PolarHBondContact O-N 3.35Å; M921-K923 VanDerWaalsContact C-N 3.3Å; M921-K923 PolarHBondContact O-N 3.3Å
924	R	43.1	Very low	37.9	Very low	219 Å²	219	129.9 Å²	129.9	83%	0.826	62%	0.616	S	S	*	*	H	α-helix	trans	-82.4	-32.8	179.3	-74.3	178.6	-179.3	177.4	-1.2	113.3	N920 M921 L922	N920-R924 WeakPolarHBondContact O-CG 3.3Å; N920-R924 PolarHBondContact O-N 3.45Å; M921-R924 PolarHBondContact O-N 3.4Å; M921-R924 VanDerWaalsContact O-N 3.07Å; L922-R924 VanDerWaalsContact C-N 3.25Å; L922-R924 PolarHBondContact O-N 3.09Å
925	R	39.8	Very low	37.3	Very low	224 Å²	224	135.3 Å²	135.3	85%	0.845	64%	0.643	S	S	*	*	H	α-helix	trans	-87.4	-10.6	-179.1	-84	-170.3	176.8	-177.4	-0.5	115	M921 L922	M921-R925 PolarHBondContact O-N 3.06Å; L922-R925 PolarHBondContact O-N 3.43Å
926	G	38.4	Very low	37.1	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	65%	0.647	S	S	*	*	S	Bend	trans	-114.5	26.6	-178.2	0	0	0	0	0	114.9	L922	L922-G926 PolarHBondContact O-N 2.52Å
927	A	36.6	Very low	36.7	Very low	75 Å²	75	139.5 Å²	139.5	62%	0.62	66%	0.663	S	S	*	*			trans	-130.8	41.3	-175.2	0	0	0	0	0	113.6
928	E	31.1	Very low	36.2	Very low	187 Å²	187	137 Å²	137	87%	0.874	66%	0.66	S	S	*	*	S	Bend	trans	-126.1	86.2	151.3	-76.5	-176.5	174.7	0	0	105.9
929	E	30.1	Very low	35.9	Very low	173 Å²	173	143.5 Å²	143.5	81%	0.808	68%	0.682	S	S	*	*	S	Bend	trans	153.6	117	154.1	-84.8	173	-177.2	0	0	110.4
930	N	30.5	Very low	35.9	Very low	134 Å²	134	144.3 Å²	144.3	72%	0.717	70%	0.698	S	S	*	*			trans	74.8	88.1	153.1	-58.7	-26.6	0	0	0	120
931	I	29.6	Very low	35.6	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	72%	0.717	S	S	*	*				54.4	99.4	120	-56.3	158.5	0	0	0	117.5
932	S	33.3	Very low	35.2	Very low	90 Å²	90	153.7 Å²	153.7	63%	0.629	73%	0.733	S	S	*	*				176.9	75.1	129.5	49.9	0	0	0	0	110.4	R934	S932-R934 VanDerWaalsContact C-N 3.27Å; S932-R934 PolarHBondContact O-N 3.34Å
933	K	40.9	Very low	35.5	Very low	213 Å²	213	156.9 Å²	156.9	93%	0.926	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	23.9	-170.3	-104.7	-179.3	-177.3	173.5	0	116.7
934	R	36.7	Very low	35.6	Very low	220 Å²	220	157.5 Å²	157.5	83%	0.83	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	-33.2	178.1	-102.9	176.2	174.4	163	-2.5	118	S932	S932-R934 VanDerWaalsContact C-N 3.27Å; S932-R934 PolarHBondContact O-N 3.34Å
935	N	31.1	Very low	36.4	Very low	136 Å²	136	150.8 Å²	150.8	73%	0.727	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-12.4	-170.5	-69.7	2.1	0	0	0	115.8
936	N	34.9	Very low	37.9	Very low	109 Å²	109	143.8 Å²	143.8	58%	0.583	71%	0.711	S	S	*	*	H	α-helix	trans	-89	-8.8	179.8	-82.6	-17.9	0	0	0	115.1	E938 A940	N936-E938 VanDerWaalsContact C-N 3.34Å; N936-A940 WeakPolarHBondContact O-CB 3.37Å; N936-A940 PolarHBondContact O-N 3.15Å
937	R	32.4	Very low	40	Very low	205 Å²	205	141.2 Å²	141.2	77%	0.774	68%	0.682	S	S	*	*	H	α-helix	trans	-69	-33.8	173.2	-82.2	-175	173	-178.9	-1.9	111.9	L941	R937-L941 WeakPolarHBondContact O-CD1 3.41Å; R937-L941 PolarHBondContact O-N 3.36Å
938	E	29.7	Very low	42.2	Very low	145 Å²	145	141.6 Å²	141.6	68%	0.678	68%	0.677	S	S	*	*	H	α-helix	trans	-76.5	-37.5	179.9	-67.3	-172.3	162.6	0	0	113	N936 L941	N936-E938 VanDerWaalsContact C-N 3.34Å; E938-L941 PolarHBondContact O-N 3.12Å
939	R	34.1	Very low	44.7	Very low	207 Å²	207	136.4 Å²	136.4	78%	0.781	66%	0.659	S	S	*	*	H	α-helix	trans	-70.8	-32	175.1	-100.4	-179.8	173.6	172	-1.9	113.3	L941	R939-L941 VanDerWaalsContact C-N 3.34Å
940	A	38.3	Very low	47.1	Very low	77 Å²	77	129.3 Å²	129.3	64%	0.636	63%	0.627	S	S	*	*	H	α-helix	trans	-73.9	-22.4	177.2	0	0	0	0	0	113.8	N936	N936-A940 WeakPolarHBondContact O-CB 3.37Å; N936-A940 PolarHBondContact O-N 3.15Å
941	L	34.9	Very low	49.3	Very low	152 Å²	152	126.9 Å²	126.9	80%	0.796	62%	0.615	S	S	*	*	H	α-helix	trans	-84.6	-12.6	176.9	-82.6	160.2	0	0	0	113.5	R937 E938 R939	R937-L941 WeakPolarHBondContact O-CD1 3.41Å; R937-L941 PolarHBondContact O-N 3.36Å; E938-L941 PolarHBondContact O-N 3.12Å; R939-L941 VanDerWaalsContact C-N 3.34Å
942	R	32.1	Very low	51.5	Low	204 Å²	204	121.1 Å²	121.1	77%	0.77	59%	0.587	S	S	*	*			trans	-111	16.6	-175.8	-67.9	-170.4	-176.9	-177.4	3.1	115.1	E944	R942-E944 PolarHBondContact O-N 3.2Å
943	Q	45	Very low	53.1	Low	158 Å²	158	122.4 Å²	122.4	74%	0.738	59%	0.591	S	S	*	*			trans	-70	87.9	163.8	-80.4	-172.1	-13.6	0	0	108	H945	Q943-H945 PolarHBondContact O-N 3.22Å; Q943-H945 PolarHBondContact O-ND1 2.59Å
944	E	44.6	Very low	54.4	Low	160 Å²	160	117.5 Å²	117.5	75%	0.748	57%	0.571	S	S	*	*			trans	-50.4	124.7	173.9	-61	-174.8	149.1	0	0	108.3	R942 V946	R942-E944 PolarHBondContact O-N 3.2Å; E944-V946 HydrophobicContact CB-CG2 3.6Å; E944-V946 PolarHBondContact O-N 2.79Å
945	H	61.2	Low	56	Low	78 Å²	78	108 Å²	108	36%	0.361	54%	0.537	S	S	.	.			trans	-77.4	57.5	-176.8	-60.9	-49.8	0	0	0	111.3	A859 K910 Q943	A859-H945 HydrophobicContact CB-CB 3.32Å; K910-H945 WeakPolarHBondContact CE-CE1 3.32Å; K910-H945 WeakPolarHBondContact CE-ND1 3.06Å; K910-H945 WeakPolarHBondContact CE-NE2 3.49Å; K910-H945 PolarHBondContact NZ-CE1 2.57Å; K910-H945 PolarHBondContact NZ-NE2 2.72Å; Q943-H945 PolarHBondContact O-N 3.22Å; Q943-H945 PolarHBondContact O-ND1 2.59Å
946	V	69.8	Low	57.7	Low	78 Å²	78	107.7 Å²	107.7	47%	0.473	54%	0.544	S	S	.	.			trans	-93.3	151	-175	-179.1	0	0	0	0	108.9	E944 V948	E944-V946 HydrophobicContact CB-CG2 3.6Å; E944-V946 PolarHBondContact O-N 2.79Å; V946-V948 WeakPolarHBondContact O-CG2 3.29Å
947	P	83.3	Confident	59.7	Low	11 Å²	11	105.6 Å²	105.6	7%	0.071	53%	0.531	C	S	.	.			trans	-53.7	138.5	171	-26.9	35.6	0	0	0	114.1	G862 L876 L878 W906 W908	G862-P947 WeakPolarHBondContact O-CD 3.27Å; L876-P947 HydrophobicContact CD1-CG 4.28Å; L876-P947 HydrophobicContact CD2-CG 4.39Å; L878-P947 HydrophobicContact CD2-CB 3.48Å; L878-P947 VanDerWaalsContact CD2-CB 3.48Å; L878-P947 HydrophobicContact CD2-CG 3.49Å; L878-P947 VanDerWaalsContact CD2-CG 3.49Å; W906-P947 HydrophobicContact CE3-CB 3.99Å; W906-P947 HydrophobicContact CZ3-CB 4.46Å; W906-P947 WeakPolarHBondContact CZ3-O 3.44Å; W908-P947 HydrophobicContact CB-CB 4.05Å; W908-P947 HydrophobicContact CB-CG 4.02Å; W908-P947 HydrophobicContact CD2-CB 4.37Å; W908-P947 HydrophobicContact CD2-CG 4.21Å; W908-P947 HydrophobicContact CE3-CB 4.14Å; W908-P947 HydrophobicContact CE3-CG 4.41Å; W908-P947 HydrophobicContact CG-CB 4.4Å; W908-P947 HydrophobicContact CG-CG 4.08Å
948	V	83.5	Confident	62.1	Low	83 Å²	83	99.4 Å²	99.4	50%	0.503	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.5	-173.2	-174.8	0	0	0	0	110.1	S907 V946 V950	S907-V948 PolarHBondContact N-O 3.48Å; S907-V948 PolarHBondContact O-N 3.49Å; V946-V948 WeakPolarHBondContact O-CG2 3.29Å; V948-V950 PolarHBondContact O-N 3.16Å
949	P	81.6	Confident	64.7	Low	78 Å²	78	92.8 Å²	92.8	51%	0.506	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.2	171.5	28.3	-33.8	0	0	0	110.6	L905	L905-P949 CarbonylContact O-C 3.54Å; L905-P949 WeakPolarHBondContact O-CA 3.41Å
950	V	82.5	Confident	67.1	Low	23 Å²	23	85.5 Å²	85.5	14%	0.139	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.5	174.3	-178	0	0	0	0	108.2	L905 S907 V948 T952 P1000	L905-V950 HydrophobicContact CB-CB 4.19Å; L905-V950 HydrophobicContact CD2-CB 3.96Å; L905-V950 HydrophobicContact CD2-CG1 3.99Å; L905-V950 HydrophobicContact CD2-CG2 4.31Å; L905-V950 HydrophobicContact CG-CB 3.97Å; L905-V950 HydrophobicContact CG-CG2 4.12Å; L905-V950 PolarHBondContact O-N 3.24Å; S907-V950 WeakPolarHBondContact OG-CG2 3.46Å; V948-V950 PolarHBondContact O-N 3.16Å; V950-T952 PolarHBondContact O-N 2.79Å; V950-T952 VanDerWaalsContact O-N 3.07Å; V950-P1000 HydrophobicContact CG1-CG 4.06Å
951	N	76.3	Confident	69.5	Low	84 Å²	84	83.4 Å²	83.4	45%	0.449	44%	0.439	S	S	.	.			trans	-66.7	110	176.9	-174.5	1.8	0	0	0	110.8	T953	N951-T953 WeakPolarHBondContact OD1-CB 3.39Å; N951-T953 VanDerWaalsContact OD1-CG2 3.3Å; N951-T953 WeakPolarHBondContact OD1-CG2 3.45Å; N951-T953 PolarHBondContact OD1-N 3.33Å; N951-T953 PolarHBondContact OD1-OG1 2.9Å
952	T	74.7	Confident	72.2	Confident	33 Å²	33	76.6 Å²	76.6	20%	0.202	40%	0.403	C	S	.	.			trans	-108.4	7.4	176.8	50.6	0	0	0	0	113.2	L905 V950 E954 L955 I959	L905-T952 HydrophobicContact CB-CG2 3.68Å; L905-T952 HydrophobicContact CD2-CG2 4Å; V950-T952 PolarHBondContact O-N 2.79Å; V950-T952 VanDerWaalsContact O-N 3.07Å; T952-E954 PolarHBondContact O-N 3.13Å; T952-E954 VanDerWaalsContact O-N 3.07Å; T952-L955 HydrophobicContact CG2-CD1 3.96Å; T952-L955 WeakPolarHBondContact O-CB 3.43Å; T952-L955 PolarHBondContact O-N 3.46Å; T952-I959 HydrophobicContact CG2-CD1 3.87Å
953	T	68.4	Low	75	Confident	116 Å²	116	68.8 Å²	68.8	71%	0.712	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.3	-171.5	52.7	0	0	0	0	115.1	N951	N951-T953 WeakPolarHBondContact OD1-CB 3.39Å; N951-T953 VanDerWaalsContact OD1-CG2 3.3Å; N951-T953 WeakPolarHBondContact OD1-CG2 3.45Å; N951-T953 PolarHBondContact OD1-N 3.33Å; N951-T953 PolarHBondContact OD1-OG1 2.9Å
954	E	66.9	Low	77.1	Confident	110 Å²	110	62.1 Å²	62.1	51%	0.514	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.6	178.6	-58.5	-178.4	-164.8	0	0	113.8	T952 C956 S1001	T952-E954 PolarHBondContact O-N 3.13Å; T952-E954 VanDerWaalsContact O-N 3.07Å; E954-C956 PolarHBondContact O-N 3.04Å; E954-S1001 WeakPolarHBondContact OE2-CA 3.37Å; E954-S1001 WeakPolarHBondContact OE2-CB 3.48Å
955	L	70.4	Confident	79	Confident	21 Å²	21	54.8 Å²	54.8	11%	0.11	31%	0.313	C	S	.	.			trans	-77.8	104.4	172.5	-65.1	168.8	0	0	0	108.1	T952 E957 I959 V971 Y979 P1000	T952-L955 HydrophobicContact CG2-CD1 3.96Å; T952-L955 WeakPolarHBondContact O-CB 3.43Å; T952-L955 PolarHBondContact O-N 3.46Å; L955-E957 PolarHBondContact O-N 3.45Å; L955-I959 HydrophobicContact CD1-CD1 3.89Å; L955-I959 HydrophobicContact CD1-CG1 4.14Å; L955-V971 HydrophobicContact CD1-CG1 4.45Å; L955-Y979 HydrophobicContact CD2-CD1 3.64Å; L955-Y979 HydrophobicContact CD2-CD2 3.53Å; L955-Y979 HydrophobicContact CD2-CE1 3.65Å; L955-Y979 HydrophobicContact CD2-CE2 3.57Å; L955-Y979 HydrophobicContact CD2-CG 3.57Å; L955-P1000 HydrophobicContact CD1-CB 4.47Å
956	C	67.6	Low	79.9	Confident	129 Å²	129	53.8 Å²	53.8	87%	0.872	31%	0.308	S	S	*	.	S	Bend	trans	-65.8	3.3	178.4	-57.3	0	0	0	0	114.6	E954	E954-C956 PolarHBondContact O-N 3.04Å
957	E	76.2	Confident	80.3	Confident	66 Å²	66	50.4 Å²	50.4	31%	0.308	29%	0.288	S	S	.	.	S	Bend	trans	-141.3	153.7	-171.7	-66.4	179.8	-173.1	0	0	111.2	L955 T973 S975	L955-E957 PolarHBondContact O-N 3.45Å; E957-T973 HydrophobicContact CB-CG2 4.15Å; E957-T973 WeakPolarHBondContact OE2-CB 3.47Å; E957-T973 PolarHBondContact OE2-OG1 3.12Å; E957-S975 VanDerWaalsContact OE1-CB 3.25Å; E957-S975 WeakPolarHBondContact OE1-CB 3.18Å; E957-S975 PolarHBondContact OE1-OG 3.23Å; E957-S975 WeakPolarHBondContact OE2-CB 3.34Å; E957-S975 PolarHBondContact OE2-N 2.86Å; E957-S975 PolarHBondContact OE2-OG 3.26Å
958	E	82.1	Confident	80.4	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	29%	0.285	S	S	.	.			trans	-69.1	141.6	177	-167.1	-174.6	159.8	0	0	111.6	K885 H901 T973 T974	K885-E958 IonicContact NZ-OE1 2.71Å; H901-E958 IonicContact CE1-OE1 3.2Å; H901-E958 IonicContact CE1-OE2 3.15Å; E958-T973 CarbonylContact O-C 3.52Å; E958-T973 VanDerWaalsContact O-CA 3.23Å; E958-T973 WeakPolarHBondContact O-CA 3.45Å; E958-T974 HydrophobicContact CB-CG2 3.92Å; E958-T974 PolarHBondContact O-N 3.15Å
959	I	86.3	Confident	80.6	Confident	7 Å²	7	47 Å²	47	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.8	176.5	-60	176.3	0	0	0	109.7	L897 L905 T952 L955 V962 V971	L897-I959 HydrophobicContact CD1-CB 4Å; L897-I959 HydrophobicContact CD1-CD1 4.08Å; L897-I959 HydrophobicContact CD1-CG2 4.06Å; L897-I959 HydrophobicContact CD2-CB 4.09Å; L897-I959 HydrophobicContact CD2-CG2 3.81Å; L905-I959 HydrophobicContact CB-CD1 4.45Å; T952-I959 HydrophobicContact CG2-CD1 3.87Å; L955-I959 HydrophobicContact CD1-CD1 3.89Å; L955-I959 HydrophobicContact CD1-CG1 4.14Å; I959-V962 HydrophobicContact CG2-CG1 4.09Å; I959-V971 HydrophobicContact CB-CG1 4.12Å; I959-V971 HydrophobicContact CD1-CG1 3.78Å; I959-V971 HydrophobicContact CD1-CG2 4.45Å; I959-V971 HydrophobicContact CG1-CG1 3.59Å; I959-V971 HydrophobicContact CG2-CG1 3.62Å
960	T	83.8	Confident	81.1	Confident	53 Å²	53	43.2 Å²	43.2	33%	0.325	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-36.5	177.2	57.9	0	0	0	0	113.2	V972 T973 T974	T960-V972 PolarHBondContact N-O 3.48Å; T960-V972 PolarHBondContact OG1-O 2.73Å; T960-T973 PolarHBondContact OG1-O 3.49Å; T960-T974 HydrophobicContact CG2-CG2 3.59Å
961	S	88.2	Confident	81.4	Confident	33 Å²	33	42.1 Å²	42.1	23%	0.231	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.7	179.9	62.4	0	0	0	0	112.1	H963 V972	S961-H963 PolarHBondContact OG-NE2 3.37Å; S961-V972 PolarHBondContact N-O 3.19Å; S961-V972 PolarHBondContact O-N 2.83Å; S961-V972 WeakPolarHBondContact OG-CB 3.47Å
962	V	91.4	Very high	82	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.7	-179.5	-61.2	0	0	0	0	109.2	A888 L895 L897 L905 I959 V971	A888-V962 HydrophobicContact CB-CG2 3.94Å; L895-V962 HydrophobicContact CB-CB 4.45Å; L895-V962 HydrophobicContact CB-CG2 4.44Å; L897-V962 HydrophobicContact CB-CG1 4.3Å; L905-V962 HydrophobicContact CD1-CG1 3.7Å; I959-V962 HydrophobicContact CG2-CG1 4.09Å; V962-V971 HydrophobicContact CG1-CG2 4.26Å
963	H	91.9	Very high	82.6	Confident	41 Å²	41	36.9 Å²	36.9	19%	0.19	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.6	-175.9	-59.5	-85.4	0	0	0	110.3	S961 F969 A970 V1015 L1017	S961-H963 PolarHBondContact OG-NE2 3.37Å; H963-F969 WeakPolarHBondContact O-CA 3.13Å; H963-A970 HydrophobicContact CB-CB 4.32Å; H963-A970 PolarHBondContact N-O 3.43Å; H963-A970 PolarHBondContact O-N 3.24Å; H963-V1015 HydrophobicContact CB-CG1 4.46Å; H963-V1015 PolarHBondContact CE1-O 2.92Å; H963-V1015 VanDerWaalsContact CE1-O 3.29Å; H963-V1015 PolarHBondContact ND1-O 2.88Å; H963-V1015 VanDerWaalsContact ND1-O 3.11Å; H963-L1017 HydrophobicContact CB-CD1 4.02Å; H963-L1017 HydrophobicContact CB-CG 4.2Å; H963-L1017 WeakPolarHBondContact O-CD1 3.21Å
964	C	88.6	Confident	83.2	Confident	18 Å²	18	35 Å²	35	12%	0.122	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.3	-179	-74.3	0	0	0	0	109.8	A888 C889 F969	A888-C964 HydrophobicContact CB-CB 4.07Å; A888-C964 VanDerWaalsContact CB-SG 3.59Å; A888-C964 PolarHBondContact O-SG 3.33Å; A888-C964 VanDerWaalsContact O-SG 3.39Å; C889-C964 VanDerWaalsContact O-CB 3.23Å; C889-C964 WeakPolarHBondContact O-CB 3.45Å; C964-F969 HydrophobicContact CB-CD1 4.3Å
965	G	84.4	Confident	83.8	Confident	5 Å²	5	31.8 Å²	31.8	5%	0.052	18%	0.183	C	C	.	.			trans	-93	-162	163.2	0	0	0	0	0	110.4	S890 H968 L1017 G1018	S890-G965 WeakPolarHBondContact CB-O 3.49Å; S890-G965 PolarHBondContact OG-O 2.81Å; G965-H968 WeakPolarHBondContact CA-O 3.49Å; G965-H968 PolarHBondContact N-O 3Å; G965-L1017 WeakPolarHBondContact CA-O 3.25Å; G965-L1017 VanDerWaalsContact N-CB 3.35Å; G965-G1018 CarbonylContact C-O 3.55Å; G965-G1018 WeakPolarHBondContact CA-O 3.38Å
966	F	79.4	Confident	84.5	Confident	58 Å²	58	31 Å²	31	25%	0.254	18%	0.181	S	C	.	.	S	Bend	trans	-67.1	-40.2	-178.9	177.9	-90.7	0	0	0	114.6	L687 S890 L891 G1018	L687-F966 HydrophobicContact CD2-CD2 3.52Å; L687-F966 HydrophobicContact CD2-CE2 3.88Å; S890-F966 VanDerWaalsContact OG-C 3.29Å; S890-F966 PolarHBondContact OG-O 2.8Å; L891-F966 HydrophobicContact CB-CD2 4.07Å; L891-F966 HydrophobicContact CB-CE2 4.22Å; L891-F966 HydrophobicContact CD1-CD2 3.83Å; L891-F966 HydrophobicContact CD1-CE2 3.51Å; L891-F966 HydrophobicContact CD2-CD2 4.48Å; L891-F966 HydrophobicContact CD2-CE2 3.79Å; L891-F966 HydrophobicContact CD2-CZ 4.03Å; L891-F966 HydrophobicContact CG-CD2 4.33Å; L891-F966 HydrophobicContact CG-CE2 4.03Å; F966-G1018 PolarHBondContact N-O 3.08Å
967	A	78.8	Confident	85.4	Confident	6 Å²	6	25.7 Å²	25.7	5%	0.05	15%	0.145	C	C	.	.	S	Bend	trans	-148.9	14.5	179.6	0	0	0	0	0	112.2	D983	A967-D983 HydrophobicContact CB-CB 3.81Å; A967-D983 PolarHBondContact O-N 3.25Å
968	H	85.4	Confident	86.1	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.3	176	66.7	-77.4	0	0	0	109.1	G965 W981 Q988 L989 G1018 S1022	G965-H968 WeakPolarHBondContact CA-O 3.49Å; G965-H968 PolarHBondContact N-O 3Å; H968-W981 CarbonylContact C-O 3.5Å; H968-W981 VanDerWaalsContact CA-O 3.24Å; H968-W981 WeakPolarHBondContact CA-O 3.22Å; H968-W981 WeakPolarHBondContact CB-O 3.19Å; H968-Q988 HydrophobicContact CB-CG 4.24Å; H968-L989 HydrophobicContact CB-CD2 3.79Å; H968-G1018 PolarHBondContact CE1-O 3.25Å; H968-S1022 PolarHBondContact NE2-OG 2.74Å; H968-S1022 VanDerWaalsContact NE2-OG 3.09Å
969	F	89	Confident	86.4	Confident	22 Å²	22	20.7 Å²	20.7	10%	0.096	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153	-166.4	-50.2	-76.9	0	0	0	109.3	T893 L895 H963 C964 T980 W981	T893-F969 HydrophobicContact CG2-CE1 3.78Å; T893-F969 HydrophobicContact CG2-CZ 3.58Å; L895-F969 HydrophobicContact CD1-CB 4.05Å; L895-F969 HydrophobicContact CD1-CD1 3.95Å; L895-F969 HydrophobicContact CD1-CG 4.27Å; L895-F969 HydrophobicContact CG-CD1 4.32Å; H963-F969 WeakPolarHBondContact O-CA 3.13Å; C964-F969 HydrophobicContact CB-CD1 4.3Å; F969-T980 CarbonylContact O-C 3.58Å; F969-T980 WeakPolarHBondContact O-CA 3.28Å; F969-W981 HydrophobicContact CB-CD2 3.8Å; F969-W981 VanDerWaalsContact CB-CE2 3.45Å; F969-W981 HydrophobicContact CB-CE3 4.03Å; F969-W981 HydrophobicContact CB-CH2 3.63Å; F969-W981 HydrophobicContact CB-CZ2 3.38Å; F969-W981 HydrophobicContact CB-CZ3 3.95Å; F969-W981 AromaticContact CD2-CD1 3.82Å; F969-W981 HydrophobicContact CD2-CD2 4.42Å; F969-W981 AromaticContact CD2-CE2 3.82Å; F969-W981 HydrophobicContact CD2-CG 4.42Å; F969-W981 HydrophobicContact CD2-CZ2 4.31Å; F969-W981 AromaticContact CD2-NE1 3.42Å; F969-W981 AromaticContact CG-CE2 3.91Å; F969-W981 AromaticContact CG-CZ2 3.97Å; F969-W981 HydrophobicContact CG-CZ2 3.97Å; F969-W981 AromaticContact CG-NE1 3.97Å; F969-W981 PolarHBondContact N-O 3.05Å; F969-W981 PolarHBondContact O-N 3.23Å
970	A	90.3	Very high	86.5	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.4	176.4	0	0	0	0	0	111.9	H963 V978 Y979 T980 V1015 L1017	H963-A970 HydrophobicContact CB-CB 4.32Å; H963-A970 PolarHBondContact N-O 3.43Å; H963-A970 PolarHBondContact O-N 3.24Å; A970-V978 HydrophobicContact CB-CG1 4.23Å; A970-Y979 CarbonylContact C-O 3.1Å; A970-Y979 WeakPolarHBondContact CA-O 3.29Å; A970-T980 HydrophobicContact CB-CG2 3.86Å; A970-V1015 HydrophobicContact CB-CG1 4Å; A970-L1017 HydrophobicContact CB-CD1 3.69Å; A970-L1017 HydrophobicContact CB-CD2 4.11Å; A970-L1017 HydrophobicContact CB-CG 4.29Å
971	V	90.1	Very high	86.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.1	175.6	160.9	0	0	0	0	108.1	L905 L955 I959 V962 V978 Y979 W981	L905-V971 HydrophobicContact CD2-CG2 4.09Å; L955-V971 HydrophobicContact CD1-CG1 4.45Å; I959-V971 HydrophobicContact CB-CG1 4.12Å; I959-V971 HydrophobicContact CD1-CG1 3.78Å; I959-V971 HydrophobicContact CD1-CG2 4.45Å; I959-V971 HydrophobicContact CG1-CG1 3.59Å; I959-V971 HydrophobicContact CG2-CG1 3.62Å; V962-V971 HydrophobicContact CG1-CG2 4.26Å; V971-V978 WeakPolarHBondContact O-CA 3.47Å; V971-Y979 PolarHBondContact N-O 2.99Å; V971-Y979 PolarHBondContact O-N 3.38Å; V971-W981 HydrophobicContact CB-CZ3 4.1Å; V971-W981 HydrophobicContact CG2-CH2 3.56Å; V971-W981 HydrophobicContact CG2-CZ3 3.58Å
972	V	88.9	Confident	86.4	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.024	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.6	173.9	-171.8	0	0	0	0	109	T960 S961 S977 V978 V1015	T960-V972 PolarHBondContact N-O 3.48Å; T960-V972 PolarHBondContact OG1-O 2.73Å; S961-V972 PolarHBondContact N-O 3.19Å; S961-V972 PolarHBondContact O-N 2.83Å; S961-V972 WeakPolarHBondContact OG-CB 3.47Å; V972-S977 WeakPolarHBondContact CA-O 3.41Å; V972-V978 HydrophobicContact CG2-CG2 4.29Å; V972-V1015 HydrophobicContact CG2-CB 4.36Å; V972-V1015 HydrophobicContact CG2-CG2 3.56Å
973	T	86.8	Confident	85.9	Confident	3 Å²	3	17.9 Å²	17.9	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	174.8	178.5	67.6	0	0	0	0	112.4	E957 E958 T960 S975 G976 S977 Y979	E957-T973 HydrophobicContact CB-CG2 4.15Å; E957-T973 WeakPolarHBondContact OE2-CB 3.47Å; E957-T973 PolarHBondContact OE2-OG1 3.12Å; E958-T973 CarbonylContact O-C 3.52Å; E958-T973 VanDerWaalsContact O-CA 3.23Å; E958-T973 WeakPolarHBondContact O-CA 3.45Å; T960-T973 PolarHBondContact OG1-O 3.49Å; T973-S975 VanDerWaalsContact C-N 3.29Å; T973-S975 PolarHBondContact O-N 2.86Å; T973-S975 PolarHBondContact OG1-OG 2.92Å; T973-G976 PolarHBondContact O-N 3.48Å; T973-S977 PolarHBondContact N-O 3.44Å; T973-S977 WeakPolarHBondContact OG1-CB 3.39Å; T973-S977 PolarHBondContact OG1-N 2.89Å; T973-S977 PolarHBondContact OG1-O 3.25Å; T973-Y979 HydrophobicContact CG2-CD2 3.98Å; T973-Y979 HydrophobicContact CG2-CE2 3.71Å
974	T	80.5	Confident	85.7	Confident	75 Å²	75	16 Å²	16	46%	0.46	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.5	177	50.3	0	0	0	0	113.6	E958 T960 G976	E958-T974 HydrophobicContact CB-CG2 3.92Å; E958-T974 PolarHBondContact O-N 3.15Å; T960-T974 HydrophobicContact CG2-CG2 3.59Å; T974-G976 PolarHBondContact O-N 2.85Å
975	S	79.6	Confident	85.4	Confident	43 Å²	43	18.9 Å²	18.9	30%	0.301	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.3	171.9	69.3	0	0	0	0	113.8	E957 T973 S977 A1011	E957-S975 VanDerWaalsContact OE1-CB 3.25Å; E957-S975 WeakPolarHBondContact OE1-CB 3.18Å; E957-S975 PolarHBondContact OE1-OG 3.23Å; E957-S975 WeakPolarHBondContact OE2-CB 3.34Å; E957-S975 PolarHBondContact OE2-N 2.86Å; E957-S975 PolarHBondContact OE2-OG 3.26Å; T973-S975 VanDerWaalsContact C-N 3.29Å; T973-S975 PolarHBondContact O-N 2.86Å; T973-S975 PolarHBondContact OG1-OG 2.92Å; S975-S977 PolarHBondContact OG-N 2.68Å; S975-S977 PolarHBondContact OG-OG 3.09Å; S975-A1011 WeakPolarHBondContact O-CB 3.34Å
976	G	84.9	Confident	85.4	Confident	6 Å²	6	19.5 Å²	19.5	6%	0.062	11%	0.111	C	C	.	.			trans	79.8	19.9	-168.9	0	0	0	0	0	113.4	T973 T974 V1012	T973-G976 PolarHBondContact O-N 3.48Å; T974-G976 PolarHBondContact O-N 2.85Å; G976-V1012 WeakPolarHBondContact CA-O 3.38Å; G976-V1012 PolarHBondContact O-N 2.88Å
977	S	87.5	Confident	85.8	Confident	16 Å²	16	20 Å²	20	11%	0.112	11%	0.112	C	C	.	.			trans	-73	140.5	167.7	-63.1	0	0	0	0	110.1	V972 T973 S975 K1005	V972-S977 WeakPolarHBondContact CA-O 3.41Å; T973-S977 PolarHBondContact N-O 3.44Å; T973-S977 WeakPolarHBondContact OG1-CB 3.39Å; T973-S977 PolarHBondContact OG1-N 2.89Å; T973-S977 PolarHBondContact OG1-O 3.25Å; S975-S977 PolarHBondContact OG-N 2.68Å; S975-S977 PolarHBondContact OG-OG 3.09Å; S977-K1005 VanDerWaalsContact OG-CE 3.22Å; S977-K1005 WeakPolarHBondContact OG-CE 3.38Å; S977-K1005 PolarHBondContact OG-NZ 3.05Å
978	V	89.9	Confident	86.1	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.6	179.8	-171.1	0	0	0	0	110.7	A970 V971 V972 T980 I1006 V1012 V1015 M1024	A970-V978 HydrophobicContact CB-CG1 4.23Å; V971-V978 WeakPolarHBondContact O-CA 3.47Å; V972-V978 HydrophobicContact CG2-CG2 4.29Å; V978-T980 HydrophobicContact CG1-CG2 4.2Å; V978-I1006 PolarHBondContact O-N 3.02Å; V978-V1012 HydrophobicContact CG2-CB 3.47Å; V978-V1012 VanDerWaalsContact CG2-CB 3.47Å; V978-V1012 HydrophobicContact CG2-CG1 3.74Å; V978-V1012 HydrophobicContact CG2-CG2 3.55Å; V978-V1015 HydrophobicContact CG1-CG2 4.16Å; V978-V1015 HydrophobicContact CG2-CG2 4.04Å; V978-M1024 HydrophobicContact CB-CE 4.29Å; V978-M1024 HydrophobicContact CB-SD 4.34Å; V978-M1024 HydrophobicContact CG1-CE 3.86Å; V978-M1024 HydrophobicContact CG1-SD 4.39Å; V978-M1024 HydrophobicContact CG2-SD 4.07Å
979	Y	88.8	Confident	86.2	Confident	34 Å²	34	19.9 Å²	19.9	13%	0.133	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.5	176.4	-66.8	-99.2	0	0	0	109.2	L955 A970 V971 T973 T1004 K1005	L955-Y979 HydrophobicContact CD2-CD1 3.64Å; L955-Y979 HydrophobicContact CD2-CD2 3.53Å; L955-Y979 HydrophobicContact CD2-CE1 3.65Å; L955-Y979 HydrophobicContact CD2-CE2 3.57Å; L955-Y979 HydrophobicContact CD2-CG 3.57Å; A970-Y979 CarbonylContact C-O 3.1Å; A970-Y979 WeakPolarHBondContact CA-O 3.29Å; V971-Y979 PolarHBondContact N-O 2.99Å; V971-Y979 PolarHBondContact O-N 3.38Å; T973-Y979 HydrophobicContact CG2-CD2 3.98Å; T973-Y979 HydrophobicContact CG2-CE2 3.71Å; Y979-T1004 WeakPolarHBondContact CA-O 3.46Å; Y979-K1005 HydrophobicContact CD1-CB 4.18Å; Y979-K1005 HydrophobicContact CE1-CB 3.8Å; Y979-K1005 HydrophobicContact CE1-CD 4.48Å; Y979-K1005 HydrophobicContact CE1-CG 4.26Å
980	T	88.7	Confident	86	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.1	-177.5	58.6	0	0	0	0	112.4	F969 A970 V978 L989 T1004 I1006	F969-T980 CarbonylContact O-C 3.58Å; F969-T980 WeakPolarHBondContact O-CA 3.28Å; A970-T980 HydrophobicContact CB-CG2 3.86Å; V978-T980 HydrophobicContact CG1-CG2 4.2Å; T980-L989 PolarHBondContact OG1-O 3.04Å; T980-L989 VanDerWaalsContact OG1-O 3.13Å; T980-T1004 PolarHBondContact N-O 2.71Å; T980-T1004 WeakPolarHBondContact O-CB 3.47Å; T980-T1004 PolarHBondContact O-OG1 3.08Å; T980-I1006 HydrophobicContact CG2-CD1 3.42Å; T980-I1006 VanDerWaalsContact CG2-CD1 3.42Å; T980-I1006 HydrophobicContact CG2-CG1 4.35Å
981	W	86.3	Confident	85.6	Confident	12 Å²	12	21.1 Å²	21.1	5%	0.045	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	169.1	174.8	71.1	101.5	0	0	0	111.2	L895 L905 H968 F969 V971 R997 P1000	L895-W981 HydrophobicContact CD1-CH2 3.89Å; L895-W981 HydrophobicContact CD1-CZ2 3.87Å; L895-W981 HydrophobicContact CD2-CZ2 4.24Å; L905-W981 HydrophobicContact CD2-CH2 4.11Å; L905-W981 HydrophobicContact CD2-CZ2 4.38Å; H968-W981 CarbonylContact C-O 3.5Å; H968-W981 VanDerWaalsContact CA-O 3.24Å; H968-W981 WeakPolarHBondContact CA-O 3.22Å; H968-W981 WeakPolarHBondContact CB-O 3.19Å; F969-W981 HydrophobicContact CB-CD2 3.8Å; F969-W981 VanDerWaalsContact CB-CE2 3.45Å; F969-W981 HydrophobicContact CB-CE3 4.03Å; F969-W981 HydrophobicContact CB-CH2 3.63Å; F969-W981 HydrophobicContact CB-CZ2 3.38Å; F969-W981 HydrophobicContact CB-CZ3 3.95Å; F969-W981 AromaticContact CD2-CD1 3.82Å; F969-W981 HydrophobicContact CD2-CD2 4.42Å; F969-W981 AromaticContact CD2-CE2 3.82Å; F969-W981 HydrophobicContact CD2-CG 4.42Å; F969-W981 HydrophobicContact CD2-CZ2 4.31Å; F969-W981 AromaticContact CD2-NE1 3.42Å; F969-W981 AromaticContact CG-CE2 3.91Å; F969-W981 AromaticContact CG-CZ2 3.97Å; F969-W981 HydrophobicContact CG-CZ2 3.97Å; F969-W981 AromaticContact CG-NE1 3.97Å; F969-W981 PolarHBondContact N-O 3.05Å; F969-W981 PolarHBondContact O-N 3.23Å; V971-W981 HydrophobicContact CB-CZ3 4.1Å; V971-W981 HydrophobicContact CG2-CH2 3.56Å; V971-W981 HydrophobicContact CG2-CZ3 3.58Å; W981-R997 HydrophobicContact CB-CB 4.1Å; W981-P1000 HydrophobicContact CD2-CG 3.89Å; W981-P1000 HydrophobicContact CE3-CB 4.07Å; W981-P1000 HydrophobicContact CE3-CG 3.72Å; W981-P1000 HydrophobicContact CH2-CG 4.07Å; W981-P1000 HydrophobicContact CZ2-CG 4.2Å; W981-P1000 HydrophobicContact CZ3-CB 4.33Å; W981-P1000 HydrophobicContact CZ3-CG 3.82Å
982	G	83.1	Confident	84.9	Confident	10 Å²	10	30 Å²	30	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113	-142.7	-179.4	0	0	0	0	0	113	R996 R997	G982-R996 WeakPolarHBondContact O-CA 3.13Å; G982-R997 VanDerWaalsContact CA-O 3.25Å; G982-R997 WeakPolarHBondContact CA-O 3.09Å; G982-R997 PolarHBondContact N-O 3.44Å; G982-R997 PolarHBondContact O-N 3.31Å
983	D	81.7	Confident	84.3	Confident	22 Å²	22	31.3 Å²	31.3	12%	0.118	17%	0.174	C	C	.	.			trans	-71	143.6	-178.7	-86	11	0	0	0	112.3	A967 Q988 L989 R996	A967-D983 HydrophobicContact CB-CB 3.81Å; A967-D983 PolarHBondContact O-N 3.25Å; D983-Q988 VanDerWaalsContact O-CD 3.23Å; D983-Q988 VanDerWaalsContact O-CG 3.22Å; D983-Q988 WeakPolarHBondContact O-CG 3.29Å; D983-Q988 PolarHBondContact O-NE2 3.16Å; D983-L989 WeakPolarHBondContact O-CG 3.25Å; D983-R996 VanDerWaalsContact CG-NH2 3.25Å; D983-R996 IonicContact OD1-CZ 3.66Å; D983-R996 IonicContact OD1-NE 3.78Å; D983-R996 PolarHBondContact OD1-NE 3.28Å; D983-R996 IonicContact OD1-NH2 2.73Å; D983-R996 PolarHBondContact OD1-NH2 3.44Å; D983-R996 IonicContact OD2-CZ 3.79Å; D983-R996 IonicContact OD2-NE 3.38Å; D983-R996 IonicContact OD2-NH2 3.49Å; D983-R996 PolarHBondContact OD2-NH2 3.28Å
984	N	86.7	Confident	83.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.			trans	-140.1	27.3	-175.2	-159.3	30.8	0	0	0	113.1	S986 Y987 Q988 L989 I991 G993 L994 K995	N984-S986 PolarHBondContact O-N 3.43Å; N984-Y987 PolarHBondContact O-N 3.34Å; N984-Y987 WeakPolarHBondContact OD1-CA 3.41Å; N984-Q988 VanDerWaalsContact CA-OE1 3.25Å; N984-Q988 PolarHBondContact OD1-N 2.84Å; N984-L989 HydrophobicContact CB-CB 4.41Å; N984-L989 HydrophobicContact CB-CD1 3.69Å; N984-L989 HydrophobicContact CB-CG 3.78Å; N984-L989 WeakPolarHBondContact OD1-CB 3.25Å; N984-L989 PolarHBondContact OD1-N 2.99Å; N984-I991 VanDerWaalsContact ND2-CG1 3.35Å; N984-I991 WeakPolarHBondContact ND2-CG1 3.39Å; N984-G993 PolarHBondContact ND2-O 3.23Å; N984-L994 VanDerWaalsContact O-CD2 3.29Å; N984-L994 WeakPolarHBondContact O-CD2 3.32Å; N984-K995 WeakPolarHBondContact CB-O 3.43Å; N984-K995 PolarHBondContact ND2-O 3.08Å
985	D	81.9	Confident	83.7	Confident	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.2	-176.4	-67.3	-21.8	0	0	0	113.5	L994 R996	D985-L994 WeakPolarHBondContact O-CD2 3.48Å; D985-R996 IonicContact OD1-CZ 2.73Å; D985-R996 IonicContact OD1-NH1 2.65Å; D985-R996 PolarHBondContact OD1-NH1 3.38Å; D985-R996 IonicContact OD1-NH2 3.53Å; D985-R996 PolarHBondContact OD1-NH2 3.43Å; D985-R996 VanDerWaalsContact OD1-NH2 3.12Å; D985-R996 IonicContact OD2-CZ 2.77Å; D985-R996 IonicContact OD2-NH1 2.61Å; D985-R996 IonicContact OD2-NH2 3.26Å; D985-R996 PolarHBondContact OD2-NH2 2.84Å
986	S	84.3	Confident	83.6	Confident	18 Å²	18	40.7 Å²	40.7	13%	0.126	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	14.7	178	-57.9	0	0	0	0	112.3	N984 Q988 G1035 C1052	N984-S986 PolarHBondContact O-N 3.43Å; S986-Q988 VanDerWaalsContact C-N 3.27Å; S986-Q988 PolarHBondContact O-N 3.06Å; S986-G1035 CarbonylContact O-C 3.49Å; S986-G1035 WeakPolarHBondContact O-CA 3.35Å; S986-C1052 WeakPolarHBondContact O-CB 3.46Å
987	Y	87.6	Confident	83.3	Confident	70 Å²	70	43.2 Å²	43.2	28%	0.275	21%	0.211	S	C	.	.	S	Bend	trans	64.1	24.4	-170.2	-49.1	-86.1	0	0	0	115.1	N984 L989 G990 L994 C1052	N984-Y987 PolarHBondContact O-N 3.34Å; N984-Y987 WeakPolarHBondContact OD1-CA 3.41Å; Y987-L989 PolarHBondContact O-N 2.89Å; Y987-G990 PolarHBondContact O-N 2.67Å; Y987-L994 HydrophobicContact CD1-CD2 4.02Å; Y987-L994 HydrophobicContact CD2-CD2 4.1Å; Y987-L994 HydrophobicContact CE1-CD2 3.71Å; Y987-L994 HydrophobicContact CE1-CG 4.19Å; Y987-L994 HydrophobicContact CE2-CD2 3.8Å; Y987-L994 HydrophobicContact CG-CD2 4.21Å; Y987-C1052 HydrophobicContact CD2-CB 3.8Å; Y987-C1052 HydrophobicContact CE2-CB 4.35Å
988	Q	86.6	Confident	82.3	Confident	2 Å²	2	48 Å²	48	1%	0.009	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-2.7	-179.7	66.8	-93.9	50.2	0	0	114.8	H968 D983 N984 S986 S1022 F1034	H968-Q988 HydrophobicContact CB-CG 4.24Å; D983-Q988 VanDerWaalsContact O-CD 3.23Å; D983-Q988 VanDerWaalsContact O-CG 3.22Å; D983-Q988 WeakPolarHBondContact O-CG 3.29Å; D983-Q988 PolarHBondContact O-NE2 3.16Å; N984-Q988 VanDerWaalsContact CA-OE1 3.25Å; N984-Q988 PolarHBondContact OD1-N 2.84Å; S986-Q988 VanDerWaalsContact C-N 3.27Å; S986-Q988 PolarHBondContact O-N 3.06Å; Q988-S1022 PolarHBondContact O-OG 2.93Å; Q988-F1034 WeakPolarHBondContact O-CD2 3.07Å; Q988-F1034 WeakPolarHBondContact O-CE2 3.23Å
989	L	86.8	Confident	81.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.5	168.7	-56.2	-174	0	0	0	113.3	H968 T980 D983 N984 Y987 I991 R997 F1034	H968-L989 HydrophobicContact CB-CD2 3.79Å; T980-L989 PolarHBondContact OG1-O 3.04Å; T980-L989 VanDerWaalsContact OG1-O 3.13Å; D983-L989 WeakPolarHBondContact O-CG 3.25Å; N984-L989 HydrophobicContact CB-CB 4.41Å; N984-L989 HydrophobicContact CB-CD1 3.69Å; N984-L989 HydrophobicContact CB-CG 3.78Å; N984-L989 WeakPolarHBondContact OD1-CB 3.25Å; N984-L989 PolarHBondContact OD1-N 2.99Å; Y987-L989 PolarHBondContact O-N 2.89Å; L989-I991 VanDerWaalsContact C-N 3.27Å; L989-I991 HydrophobicContact CB-CG1 4.11Å; L989-I991 PolarHBondContact O-N 3.44Å; L989-R997 HydrophobicContact CD1-CB 4.12Å; L989-R997 HydrophobicContact CD1-CG 3.97Å; L989-F1034 VanDerWaalsContact C-CE2 3.48Å
990	G	84.2	Confident	79.9	Confident	12 Å²	12	49.5 Å²	49.5	12%	0.124	24%	0.238	C	C	.	.	S	Bend	trans	73	17.6	174.7	0	0	0	0	0	114.6	Y987 F1034 S1054	Y987-G990 PolarHBondContact O-N 2.67Å; G990-F1034 VanDerWaalsContact N-CE2 3.28Å; G990-S1054 CarbonylContact C-O 3.58Å
991	I	81.9	Confident	78.4	Confident	36 Å²	36	50 Å²	50	19%	0.185	24%	0.242	C	C	.	.	S	Bend	trans	-110.2	152.3	177.6	55.1	168.2	0	0	0	111.9	N984 L989 G993 R997 T1004 S1054	N984-I991 VanDerWaalsContact ND2-CG1 3.35Å; N984-I991 WeakPolarHBondContact ND2-CG1 3.39Å; L989-I991 VanDerWaalsContact C-N 3.27Å; L989-I991 HydrophobicContact CB-CG1 4.11Å; L989-I991 PolarHBondContact O-N 3.44Å; I991-G993 PolarHBondContact O-N 3.09Å; I991-R997 HydrophobicContact CD1-CG 4.43Å; I991-T1004 HydrophobicContact CB-CG2 4.5Å; I991-T1004 HydrophobicContact CD1-CG2 3.84Å; I991-T1004 HydrophobicContact CG1-CG2 4.29Å; I991-T1004 HydrophobicContact CG2-CG2 3.49Å; I991-T1004 VanDerWaalsContact CG2-CG2 3.49Å; I991-S1054 CarbonylContact C-O 3.55Å
992	K	75.5	Confident	77.1	Confident	186 Å²	186	52 Å²	52	81%	0.809	25%	0.252	S	S	*	.	S	Bend	trans	-67.4	125.5	170.4	-69.3	-172.4	177.3	-176.2	0	110.2
993	G	76.6	Confident	75.6	Confident	33 Å²	33	58.7 Å²	58.7	34%	0.34	29%	0.285	S	S	.	.	S	Bend	trans	97.8	156.8	179.6	0	0	0	0	0	113.6	N984 I991 K995	N984-G993 PolarHBondContact ND2-O 3.23Å; I991-G993 PolarHBondContact O-N 3.09Å; G993-K995 VanDerWaalsContact C-N 3.26Å; G993-K995 PolarHBondContact O-N 2.85Å
994	L	78.4	Confident	74.8	Confident	89 Å²	89	57.8 Å²	57.8	47%	0.466	28%	0.28	S	S	.	.			trans	-89.2	19.3	-175	-59.8	174.7	0	0	0	113.3	N984 D985 Y987 R996	N984-L994 VanDerWaalsContact O-CD2 3.29Å; N984-L994 WeakPolarHBondContact O-CD2 3.32Å; D985-L994 WeakPolarHBondContact O-CD2 3.48Å; Y987-L994 HydrophobicContact CD1-CD2 4.02Å; Y987-L994 HydrophobicContact CD2-CD2 4.1Å; Y987-L994 HydrophobicContact CE1-CD2 3.71Å; Y987-L994 HydrophobicContact CE1-CG 4.19Å; Y987-L994 HydrophobicContact CE2-CD2 3.8Å; Y987-L994 HydrophobicContact CG-CD2 4.21Å; L994-R996 PolarHBondContact O-N 3.07Å
995	K	77.7	Confident	74.4	Confident	139 Å²	139	62.4 Å²	62.4	60%	0.604	30%	0.3	S	S	*	.			trans	-73	121.7	-176.2	-161.3	177.9	-176.7	-179.7	0	109.5	N984 G993	N984-K995 WeakPolarHBondContact CB-O 3.43Å; N984-K995 PolarHBondContact ND2-O 3.08Å; G993-K995 VanDerWaalsContact C-N 3.26Å; G993-K995 PolarHBondContact O-N 2.85Å
996	R	76.8	Confident	74.4	Confident	89 Å²	89	59.2 Å²	59.2	34%	0.336	28%	0.283	S	S	.	.			trans	-68.2	148.8	171.6	-63.4	177.8	147.6	81.1	6.2	110.7	S914 G982 D983 D985 L994	S914-R996 VanDerWaalsContact CB-NH2 3.3Å; S914-R996 PolarHBondContact OG-NH2 2.82Å; G982-R996 WeakPolarHBondContact O-CA 3.13Å; D983-R996 VanDerWaalsContact CG-NH2 3.25Å; D983-R996 IonicContact OD1-CZ 3.66Å; D983-R996 IonicContact OD1-NE 3.78Å; D983-R996 PolarHBondContact OD1-NE 3.28Å; D983-R996 IonicContact OD1-NH2 2.73Å; D983-R996 PolarHBondContact OD1-NH2 3.44Å; D983-R996 IonicContact OD2-CZ 3.79Å; D983-R996 IonicContact OD2-NE 3.38Å; D983-R996 IonicContact OD2-NH2 3.49Å; D983-R996 PolarHBondContact OD2-NH2 3.28Å; D985-R996 IonicContact OD1-CZ 2.73Å; D985-R996 IonicContact OD1-NH1 2.65Å; D985-R996 PolarHBondContact OD1-NH1 3.38Å; D985-R996 IonicContact OD1-NH2 3.53Å; D985-R996 PolarHBondContact OD1-NH2 3.43Å; D985-R996 VanDerWaalsContact OD1-NH2 3.12Å; D985-R996 IonicContact OD2-CZ 2.77Å; D985-R996 IonicContact OD2-NH1 2.61Å; D985-R996 IonicContact OD2-NH2 3.26Å; D985-R996 PolarHBondContact OD2-NH2 2.84Å; L994-R996 PolarHBondContact O-N 3.07Å
997	R	79	Confident	74	Confident	60 Å²	60	64.5 Å²	64.5	23%	0.226	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-122.7	136	178.8	-59.9	-59.4	-177	159.8	6.9	111.3	W981 G982 L989 I991 E1002 T1004	W981-R997 HydrophobicContact CB-CB 4.1Å; G982-R997 VanDerWaalsContact CA-O 3.25Å; G982-R997 WeakPolarHBondContact CA-O 3.09Å; G982-R997 PolarHBondContact N-O 3.44Å; G982-R997 PolarHBondContact O-N 3.31Å; L989-R997 HydrophobicContact CD1-CB 4.12Å; L989-R997 HydrophobicContact CD1-CG 3.97Å; I991-R997 HydrophobicContact CD1-CG 4.43Å; R997-E1002 WeakPolarHBondContact CA-OE2 3.39Å; R997-E1002 HydrophobicContact CB-CB 4.45Å; R997-E1002 VanDerWaalsContact CD-OE2 3.28Å; R997-E1002 WeakPolarHBondContact CD-OE2 3.14Å; R997-T1004 HydrophobicContact CG-CG2 4.1Å
998	K	66.2	Low	73.5	Confident	117 Å²	117	62.8 Å²	62.8	51%	0.509	31%	0.31	S	S	.	.	S	Bend	trans	-92.1	-33.2	-171.8	-69.5	-176.2	-176	176.1	0	114	W915 E1002	W915-K998 HydrophobicContact CH2-CD 4.26Å; W915-K998 HydrophobicContact CZ3-CD 4.17Å; W915-K998 HydrophobicContact CZ3-CG 4.33Å; K998-E1002 PolarHBondContact N-OE2 2.81Å
999	H	66.5	Low	73	Confident	65 Å²	65	72.7 Å²	72.7	30%	0.301	35%	0.353	S	S	.	.	S	Bend	trans	-136.6	155.3	-175	48	81.5	0	0	0	110.7	S1001 E1002	H999-S1001 PolarHBondContact CE1-OG 3.04Å; H999-S1001 PolarHBondContact ND1-OG 3.09Å; H999-S1001 PolarHBondContact O-N 2.95Å; H999-E1002 IonicContact CD2-OE1 3.68Å; H999-E1002 WeakPolarHBondContact CE1-CG 3.4Å; H999-E1002 IonicContact CE1-OE1 3.65Å; H999-E1002 PolarHBondContact ND1-N 2.78Å; H999-E1002 IonicContact NE2-OE1 3.22Å; H999-E1002 PolarHBondContact NE2-OE1 2.9Å; H999-E1002 WeakPolarHBondContact O-CB 3.5Å; H999-E1002 PolarHBondContact O-N 3.12Å; H999-E1002 VanDerWaalsContact O-N 3.16Å
1000	P	61.1	Low	72.7	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.006	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.9	179.2	-20.8	29.5	0	0	0	113.3	V950 L955 W981 E1002	V950-P1000 HydrophobicContact CG1-CG 4.06Å; L955-P1000 HydrophobicContact CD1-CB 4.47Å; W981-P1000 HydrophobicContact CD2-CG 3.89Å; W981-P1000 HydrophobicContact CE3-CB 4.07Å; W981-P1000 HydrophobicContact CE3-CG 3.72Å; W981-P1000 HydrophobicContact CH2-CG 4.07Å; W981-P1000 HydrophobicContact CZ2-CG 4.2Å; W981-P1000 HydrophobicContact CZ3-CB 4.33Å; W981-P1000 HydrophobicContact CZ3-CG 3.82Å; P1000-E1002 PolarHBondContact O-N 3.07Å
1001	S	58	Low	72.6	Confident	11 Å²	11	76.1 Å²	76.1	8%	0.077	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.4	179.2	26.3	0	0	0	0	115	E954 H999 N1003	E954-S1001 WeakPolarHBondContact OE2-CA 3.37Å; E954-S1001 WeakPolarHBondContact OE2-CB 3.48Å; H999-S1001 PolarHBondContact CE1-OG 3.04Å; H999-S1001 PolarHBondContact ND1-OG 3.09Å; H999-S1001 PolarHBondContact O-N 2.95Å; S1001-N1003 PolarHBondContact O-N 3.25Å
1002	E	58.8	Low	72.9	Confident	54 Å²	54	74.8 Å²	74.8	25%	0.252	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	30.8	-174.6	-123.6	171.6	-143.2	0	0	113.5	R997 K998 H999 P1000	R997-E1002 WeakPolarHBondContact CA-OE2 3.39Å; R997-E1002 HydrophobicContact CB-CB 4.45Å; R997-E1002 VanDerWaalsContact CD-OE2 3.28Å; R997-E1002 WeakPolarHBondContact CD-OE2 3.14Å; K998-E1002 PolarHBondContact N-OE2 2.81Å; H999-E1002 IonicContact CD2-OE1 3.68Å; H999-E1002 WeakPolarHBondContact CE1-CG 3.4Å; H999-E1002 IonicContact CE1-OE1 3.65Å; H999-E1002 PolarHBondContact ND1-N 2.78Å; H999-E1002 IonicContact NE2-OE1 3.22Å; H999-E1002 PolarHBondContact NE2-OE1 2.9Å; H999-E1002 WeakPolarHBondContact O-CB 3.5Å; H999-E1002 PolarHBondContact O-N 3.12Å; H999-E1002 VanDerWaalsContact O-N 3.16Å; P1000-E1002 PolarHBondContact O-N 3.07Å
1003	N	50.4	Low	73.1	Confident	150 Å²	150	67.6 Å²	67.6	80%	0.802	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	43.6	176	-84.2	-27.8	0	0	0	116.2	S1001	S1001-N1003 PolarHBondContact O-N 3.25Å
1004	T	65.8	Low	73.6	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.012	32%	0.324	C	S	.	.			trans	-106.9	49.2	176.3	7.5	0	0	0	0	112.1	Y979 T980 I991 R997 I1006	Y979-T1004 WeakPolarHBondContact CA-O 3.46Å; T980-T1004 PolarHBondContact N-O 2.71Å; T980-T1004 WeakPolarHBondContact O-CB 3.47Å; T980-T1004 PolarHBondContact O-OG1 3.08Å; I991-T1004 HydrophobicContact CB-CG2 4.5Å; I991-T1004 HydrophobicContact CD1-CG2 3.84Å; I991-T1004 HydrophobicContact CG1-CG2 4.29Å; I991-T1004 HydrophobicContact CG2-CG2 3.49Å; I991-T1004 VanDerWaalsContact CG2-CG2 3.49Å; R997-T1004 HydrophobicContact CG-CG2 4.1Å; T1004-I1006 PolarHBondContact O-N 3.45Å
1005	K	78.9	Confident	74.2	Confident	98 Å²	98	62.5 Å²	62.5	43%	0.426	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122	167.2	-176.7	173.7	-179.5	159.9	0	108.8	S977 Y979 V1007	S977-K1005 VanDerWaalsContact OG-CE 3.22Å; S977-K1005 WeakPolarHBondContact OG-CE 3.38Å; S977-K1005 PolarHBondContact OG-NZ 3.05Å; Y979-K1005 HydrophobicContact CD1-CB 4.18Å; Y979-K1005 HydrophobicContact CE1-CB 3.8Å; Y979-K1005 HydrophobicContact CE1-CD 4.48Å; Y979-K1005 HydrophobicContact CE1-CG 4.26Å; K1005-V1007 PolarHBondContact O-N 2.8Å
1006	I	80.4	Confident	74.9	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.6	175.5	-63.7	-177.6	0	0	0	108.4	V978 T980 T1004 L1008 M1024 F1034 P1056	V978-I1006 PolarHBondContact O-N 3.02Å; T980-I1006 HydrophobicContact CG2-CD1 3.42Å; T980-I1006 VanDerWaalsContact CG2-CD1 3.42Å; T980-I1006 HydrophobicContact CG2-CG1 4.35Å; T1004-I1006 PolarHBondContact O-N 3.45Å; I1006-L1008 HydrophobicContact CG2-CG 4.32Å; I1006-L1008 PolarHBondContact O-N 2.92Å; I1006-M1024 HydrophobicContact CD1-CE 3.37Å; I1006-M1024 HydrophobicContact CG2-CE 4.29Å; I1006-M1024 HydrophobicContact CG2-SD 4.49Å; I1006-F1034 HydrophobicContact CD1-CE1 4Å; I1006-F1034 HydrophobicContact CD1-CE2 3.91Å; I1006-F1034 HydrophobicContact CD1-CZ 3.32Å; I1006-P1056 HydrophobicContact CG2-CG 3.5Å
1007	V	75.9	Confident	75.5	Confident	128 Å²	128	52.5 Å²	52.5	78%	0.776	26%	0.264	S	S	*	.			trans	-89.3	104	-176.8	-175.2	0	0	0	0	109.3	K1005	K1005-V1007 PolarHBondContact O-N 2.8Å
1008	L	77.7	Confident	76	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.178	25%	0.254	C	S	.	.			trans	-114.2	151.2	167.1	-70.4	172.4	0	0	0	109.3	I1006 E1010 V1012 M1024 W1032 P1056	I1006-L1008 HydrophobicContact CG2-CG 4.32Å; I1006-L1008 PolarHBondContact O-N 2.92Å; L1008-E1010 VanDerWaalsContact C-N 3.26Å; L1008-E1010 PolarHBondContact O-N 2.91Å; L1008-V1012 HydrophobicContact CD1-CG2 3.5Å; L1008-V1012 VanDerWaalsContact CD1-CG2 3.5Å; L1008-M1024 HydrophobicContact CD1-SD 4.05Å; L1008-W1032 HydrophobicContact CD1-CG 4.35Å; L1008-W1032 HydrophobicContact CD2-CD2 3.63Å; L1008-W1032 HydrophobicContact CD2-CE3 3.7Å; L1008-W1032 HydrophobicContact CD2-CG 4.11Å; L1008-W1032 HydrophobicContact CD2-CH2 4.3Å; L1008-W1032 HydrophobicContact CD2-CZ2 4.25Å; L1008-W1032 HydrophobicContact CD2-CZ3 4.04Å; L1008-P1056 HydrophobicContact CD2-CB 3.85Å; L1008-P1056 HydrophobicContact CD2-CG 4.48Å
1009	K	76.4	Confident	76.8	Confident	210 Å²	210	44.5 Å²	44.5	91%	0.913	23%	0.232	S	C	*	.	S	Bend	trans	-67.6	-30.5	176.8	-71.8	-175.2	176.6	-177.9	0	112.3
1010	E	79.5	Confident	77.7	Confident	61 Å²	61	43.7 Å²	43.7	29%	0.285	23%	0.23	S	C	.	.	S	Bend	trans	-115.9	147.5	-176.2	-64.3	-69.8	145.6	0	0	109.8	L1008 D1026 R1028	L1008-E1010 VanDerWaalsContact C-N 3.26Å; L1008-E1010 PolarHBondContact O-N 2.91Å; E1010-D1026 HydrophobicContact CB-CB 3.92Å; E1010-R1028 HydrophobicContact CG-CG 4.11Å; E1010-R1028 IonicContact OE1-CZ 2.83Å; E1010-R1028 IonicContact OE1-NE 3.71Å; E1010-R1028 PolarHBondContact OE1-NE 2.82Å; E1010-R1028 IonicContact OE1-NH2 3.87Å; E1010-R1028 PolarHBondContact OE1-NH2 3.04Å; E1010-R1028 IonicContact OE2-CZ 2.61Å; E1010-R1028 IonicContact OE2-NE 2.66Å; E1010-R1028 PolarHBondContact OE2-NE 3.43Å; E1010-R1028 IonicContact OE2-NH2 3.84Å
1011	A	83.8	Confident	79.1	Confident	24 Å²	24	43.7 Å²	43.7	20%	0.198	23%	0.23	C	C	.	.			trans	-62.3	138.6	177.2	0	0	0	0	0	111.2	S975 D1026 R1027	S975-A1011 WeakPolarHBondContact O-CB 3.34Å; A1011-D1026 CarbonylContact O-C 3.05Å; A1011-D1026 WeakPolarHBondContact O-CA 3.39Å; A1011-R1027 HydrophobicContact CB-CG 4.18Å; A1011-R1027 WeakPolarHBondContact O-CG 3.46Å; A1011-R1027 PolarHBondContact O-N 2.76Å
1012	V	86.4	Confident	80.7	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.9	177.2	-179	0	0	0	0	110.3	G976 V978 L1008 S1014 V1015 M1024	G976-V1012 WeakPolarHBondContact CA-O 3.38Å; G976-V1012 PolarHBondContact O-N 2.88Å; V978-V1012 HydrophobicContact CG2-CB 3.47Å; V978-V1012 VanDerWaalsContact CG2-CB 3.47Å; V978-V1012 HydrophobicContact CG2-CG1 3.74Å; V978-V1012 HydrophobicContact CG2-CG2 3.55Å; L1008-V1012 HydrophobicContact CD1-CG2 3.5Å; L1008-V1012 VanDerWaalsContact CD1-CG2 3.5Å; V1012-S1014 VanDerWaalsContact CG1-O 3.29Å; V1012-S1014 WeakPolarHBondContact CG1-O 3.17Å; V1012-V1015 HydrophobicContact CG1-CG2 3.69Å; V1012-M1024 HydrophobicContact CG1-CB 3.97Å; V1012-M1024 HydrophobicContact CG1-CG 4.37Å; V1012-M1024 HydrophobicContact CG1-SD 4.36Å; V1012-M1024 HydrophobicContact CG2-SD 4.02Å
1013	S	80.8	Confident	82.3	Confident	35 Å²	35	40.6 Å²	40.6	25%	0.245	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-33.2	179.9	66.3	0	0	0	0	112.9	I1025	S1013-I1025 PolarHBondContact N-O 3.08Å; S1013-I1025 PolarHBondContact OG-O 3.07Å
1014	S	87	Confident	84.2	Confident	13 Å²	13	33.5 Å²	33.5	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	144	-178	-171.3	0	0	0	0	110.1	V1012 M1024 I1025	V1012-S1014 VanDerWaalsContact CG1-O 3.29Å; V1012-S1014 WeakPolarHBondContact CG1-O 3.17Å; S1014-M1024 CarbonylContact O-C 3.58Å; S1014-M1024 VanDerWaalsContact O-CA 3.29Å; S1014-M1024 WeakPolarHBondContact O-CA 3.41Å; S1014-I1025 PolarHBondContact N-O 3.09Å; S1014-I1025 PolarHBondContact O-N 2.96Å
1015	V	91.3	Very high	85.3	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.2	178.3	179.5	0	0	0	0	107.4	H963 A970 V972 V978 V1012 L1017 L1023 M1024	H963-V1015 HydrophobicContact CB-CG1 4.46Å; H963-V1015 PolarHBondContact CE1-O 2.92Å; H963-V1015 VanDerWaalsContact CE1-O 3.29Å; H963-V1015 PolarHBondContact ND1-O 2.88Å; H963-V1015 VanDerWaalsContact ND1-O 3.11Å; A970-V1015 HydrophobicContact CB-CG1 4Å; V972-V1015 HydrophobicContact CG2-CB 4.36Å; V972-V1015 HydrophobicContact CG2-CG2 3.56Å; V978-V1015 HydrophobicContact CG1-CG2 4.16Å; V978-V1015 HydrophobicContact CG2-CG2 4.04Å; V1012-V1015 HydrophobicContact CG1-CG2 3.69Å; V1015-L1017 HydrophobicContact CG1-CD2 3.81Å; V1015-L1017 HydrophobicContact CG1-CG 4.23Å; V1015-L1023 WeakPolarHBondContact CA-O 3.03Å; V1015-M1024 HydrophobicContact CG1-CG 4.46Å; V1015-M1024 HydrophobicContact CG2-CG 4.13Å
1016	A	91.4	Very high	85.5	Confident	8 Å²	8	29 Å²	29	7%	0.066	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.8	165.3	0	0	0	0	0	109.9	L683 A685 L1023	L683-A1016 HydrophobicContact CD1-CB 4.39Å; L683-A1016 HydrophobicContact CD2-CB 4.03Å; L683-A1016 HydrophobicContact CG-CB 3.65Å; A685-A1016 HydrophobicContact CB-CB 3.74Å; A1016-L1023 PolarHBondContact N-O 2.94Å; A1016-L1023 PolarHBondContact O-N 2.74Å
1017	L	90.7	Very high	85.3	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125	-171.7	-58.2	-177.3	0	0	0	109.5	H963 G965 A970 V1015 S1022	H963-L1017 HydrophobicContact CB-CD1 4.02Å; H963-L1017 HydrophobicContact CB-CG 4.2Å; H963-L1017 WeakPolarHBondContact O-CD1 3.21Å; G965-L1017 WeakPolarHBondContact CA-O 3.25Å; G965-L1017 VanDerWaalsContact N-CB 3.35Å; A970-L1017 HydrophobicContact CB-CD1 3.69Å; A970-L1017 HydrophobicContact CB-CD2 4.11Å; A970-L1017 HydrophobicContact CB-CG 4.29Å; V1015-L1017 HydrophobicContact CG1-CD2 3.81Å; V1015-L1017 HydrophobicContact CG1-CG 4.23Å; L1017-S1022 WeakPolarHBondContact CD2-OG 3.29Å
1018	G	87.8	Confident	85	Confident	3 Å²	3	37 Å²	37	3%	0.031	17%	0.172	C	C	.	.			trans	-96.8	-148.6	178.2	0	0	0	0	0	113.1	G686 G965 F966 H968 H1021	G686-G1018 WeakPolarHBondContact O-CA 3.29Å; G965-G1018 CarbonylContact C-O 3.55Å; G965-G1018 WeakPolarHBondContact CA-O 3.38Å; F966-G1018 PolarHBondContact N-O 3.08Å; H968-G1018 PolarHBondContact CE1-O 3.25Å; G1018-H1021 PolarHBondContact N-O 2.96Å
1019	S	84	Confident	84.8	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.042	17%	0.165	C	C	.	.	S	Bend	trans	-74	-52.1	174.2	66	0	0	0	0	113	L687 N688	L687-S1019 WeakPolarHBondContact O-CB 3.07Å; L687-S1019 PolarHBondContact O-N 3.08Å; L687-S1019 VanDerWaalsContact O-N 3.07Å; L687-S1019 PolarHBondContact O-OG 3.49Å; N688-S1019 PolarHBondContact OD1-OG 2.85Å
1020	N	85.8	Confident	85	Confident	49 Å²	49	27.2 Å²	27.2	26%	0.262	13%	0.132	S	C	.	.	S	Bend	trans	-133.5	14	-170.3	-66	-49.4	0	0	0	111.7	G1035 K1036	N1020-G1035 CarbonylContact O-C 3.59Å; N1020-G1035 VanDerWaalsContact O-CA 3.28Å; N1020-G1035 WeakPolarHBondContact O-CA 3.28Å; N1020-K1036 HydrophobicContact CB-CB 3.99Å; N1020-K1036 PolarHBondContact O-N 3.2Å
1021	H	89.3	Confident	85.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.3	-178.9	68.4	-75	0	0	0	111	S690 G1018 F1034 S1039 M1040	S690-H1021 PolarHBondContact OG-NE2 2.89Å; G1018-H1021 PolarHBondContact N-O 2.96Å; H1021-F1034 WeakPolarHBondContact CA-O 3.42Å; H1021-S1039 VanDerWaalsContact CE1-CB 3.42Å; H1021-S1039 WeakPolarHBondContact CE1-CB 3.08Å; H1021-S1039 VanDerWaalsContact ND1-CB 3.29Å; H1021-S1039 WeakPolarHBondContact ND1-CB 3.36Å; H1021-M1040 HydrophobicContact CB-CE 4.08Å; H1021-M1040 HydrophobicContact CB-CG 3.97Å; H1021-M1040 HydrophobicContact CB-SD 4.01Å
1022	S	91.9	Very high	85.7	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.2	-177.6	-65.2	0	0	0	0	108.8	H968 Q988 L1017 G1033 F1034	H968-S1022 PolarHBondContact NE2-OG 2.74Å; H968-S1022 VanDerWaalsContact NE2-OG 3.09Å; Q988-S1022 PolarHBondContact O-OG 2.93Å; L1017-S1022 WeakPolarHBondContact CD2-OG 3.29Å; S1022-G1033 VanDerWaalsContact O-CA 3.3Å; S1022-G1033 WeakPolarHBondContact O-CA 3.47Å; S1022-F1034 PolarHBondContact N-O 2.83Å; S1022-F1034 PolarHBondContact O-N 3.45Å
1023	L	92.7	Very high	85.8	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.8	-180	-64.1	176.5	0	0	0	110.6	L683 V692 V1015 A1016 W1032 M1040 L1059	L683-L1023 HydrophobicContact CD1-CB 3.88Å; L683-L1023 HydrophobicContact CD1-CD1 4.03Å; L683-L1023 HydrophobicContact CD2-CB 4.22Å; L683-L1023 HydrophobicContact CG-CB 4.49Å; V692-L1023 HydrophobicContact CG2-CD1 4.4Å; V1015-L1023 WeakPolarHBondContact CA-O 3.03Å; A1016-L1023 PolarHBondContact N-O 2.94Å; A1016-L1023 PolarHBondContact O-N 2.74Å; L1023-W1032 CarbonylContact C-O 3.58Å; L1023-W1032 WeakPolarHBondContact CA-O 3.28Å; L1023-M1040 HydrophobicContact CD2-CB 4.46Å; L1023-M1040 HydrophobicContact CD2-CG 3.85Å; L1023-M1040 HydrophobicContact CD2-SD 3.78Å; L1023-L1059 HydrophobicContact CD2-CD1 3.61Å
1024	M	91.4	Very high	86.3	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146	176.9	-55	-177.1	-169	0	0	111.8	V978 I1006 L1008 V1012 S1014 V1015 L1031 W1032 F1034	V978-M1024 HydrophobicContact CB-CE 4.29Å; V978-M1024 HydrophobicContact CB-SD 4.34Å; V978-M1024 HydrophobicContact CG1-CE 3.86Å; V978-M1024 HydrophobicContact CG1-SD 4.39Å; V978-M1024 HydrophobicContact CG2-SD 4.07Å; I1006-M1024 HydrophobicContact CD1-CE 3.37Å; I1006-M1024 HydrophobicContact CG2-CE 4.29Å; I1006-M1024 HydrophobicContact CG2-SD 4.49Å; L1008-M1024 HydrophobicContact CD1-SD 4.05Å; V1012-M1024 HydrophobicContact CG1-CB 3.97Å; V1012-M1024 HydrophobicContact CG1-CG 4.37Å; V1012-M1024 HydrophobicContact CG1-SD 4.36Å; V1012-M1024 HydrophobicContact CG2-SD 4.02Å; S1014-M1024 CarbonylContact O-C 3.58Å; S1014-M1024 VanDerWaalsContact O-CA 3.29Å; S1014-M1024 WeakPolarHBondContact O-CA 3.41Å; V1015-M1024 HydrophobicContact CG1-CG 4.46Å; V1015-M1024 HydrophobicContact CG2-CG 4.13Å; M1024-L1031 WeakPolarHBondContact O-CA 3.46Å; M1024-W1032 HydrophobicContact CB-CB 4.39Å; M1024-W1032 PolarHBondContact N-O 2.96Å; M1024-W1032 PolarHBondContact O-N 3.01Å; M1024-F1034 HydrophobicContact CE-CE1 3.23Å; M1024-F1034 HydrophobicContact CE-CZ 3.19Å; M1024-F1034 HydrophobicContact CG-CE1 4.45Å; M1024-F1034 HydrophobicContact SD-CE1 4.18Å
1025	I	87.9	Confident	86.4	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.3	168.4	-64.5	168.4	0	0	0	108.8	L683 V692 S1013 S1014 T1030 L1031 F1065 V1067	L683-I1025 HydrophobicContact CB-CD1 3.96Å; L683-I1025 HydrophobicContact CD1-CD1 4.47Å; L683-I1025 HydrophobicContact CD2-CD1 4.35Å; L683-I1025 HydrophobicContact CD2-CG1 4.2Å; L683-I1025 HydrophobicContact CG-CD1 4.47Å; V692-I1025 HydrophobicContact CG1-CD1 4.04Å; S1013-I1025 PolarHBondContact N-O 3.08Å; S1013-I1025 PolarHBondContact OG-O 3.07Å; S1014-I1025 PolarHBondContact N-O 3.09Å; S1014-I1025 PolarHBondContact O-N 2.96Å; I1025-T1030 WeakPolarHBondContact CA-O 3.42Å; I1025-L1031 HydrophobicContact CG1-CD1 3.99Å; I1025-F1065 HydrophobicContact CD1-CB 3.95Å; I1025-F1065 HydrophobicContact CG1-CB 4.31Å; I1025-F1065 HydrophobicContact CG2-CB 4.5Å; I1025-V1067 HydrophobicContact CG2-CG2 4.23Å
1026	D	83.2	Confident	86	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	167.5	172.4	72	20.9	0	0	0	112.5	E1010 A1011 R1028 G1029 T1030 W1032 V1067	E1010-D1026 HydrophobicContact CB-CB 3.92Å; A1011-D1026 CarbonylContact O-C 3.05Å; A1011-D1026 WeakPolarHBondContact O-CA 3.39Å; D1026-R1028 PolarHBondContact O-N 3.21Å; D1026-R1028 VanDerWaalsContact OD1-CA 3.32Å; D1026-R1028 WeakPolarHBondContact OD1-CA 3.38Å; D1026-R1028 WeakPolarHBondContact OD1-CB 3.3Å; D1026-R1028 PolarHBondContact OD1-N 3.43Å; D1026-G1029 PolarHBondContact O-N 3.12Å; D1026-G1029 PolarHBondContact OD1-N 3.38Å; D1026-G1029 VanDerWaalsContact OD1-N 3.13Å; D1026-T1030 VanDerWaalsContact CG-CB 3.42Å; D1026-T1030 PolarHBondContact N-O 3.24Å; D1026-T1030 VanDerWaalsContact N-O 3.07Å; D1026-T1030 VanDerWaalsContact OD1-CB 3.25Å; D1026-T1030 WeakPolarHBondContact OD1-CB 3.2Å; D1026-T1030 PolarHBondContact OD1-N 3.33Å; D1026-T1030 PolarHBondContact OD1-OG1 3.27Å; D1026-T1030 WeakPolarHBondContact OD2-CB 3.42Å; D1026-T1030 PolarHBondContact OD2-OG1 2.91Å; D1026-W1032 PolarHBondContact OD2-NE1 2.9Å; D1026-V1067 WeakPolarHBondContact O-CG2 3.22Å
1027	R	75.6	Confident	85.4	Confident	149 Å²	149	27.9 Å²	27.9	56%	0.562	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.5	177.7	-73.5	-173.6	-172.6	178.5	2.3	114.4	A1011	A1011-R1027 HydrophobicContact CB-CG 4.18Å; A1011-R1027 WeakPolarHBondContact O-CG 3.46Å; A1011-R1027 PolarHBondContact O-N 2.76Å
1028	R	69.4	Low	84.5	Confident	161 Å²	161	31.4 Å²	31.4	61%	0.608	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.4	174.6	-61.6	-170.9	177.1	-164.6	3.7	112.8	E1010 D1026	E1010-R1028 HydrophobicContact CG-CG 4.11Å; E1010-R1028 IonicContact OE1-CZ 2.83Å; E1010-R1028 IonicContact OE1-NE 3.71Å; E1010-R1028 PolarHBondContact OE1-NE 2.82Å; E1010-R1028 IonicContact OE1-NH2 3.87Å; E1010-R1028 PolarHBondContact OE1-NH2 3.04Å; E1010-R1028 IonicContact OE2-CZ 2.61Å; E1010-R1028 IonicContact OE2-NE 2.66Å; E1010-R1028 PolarHBondContact OE2-NE 3.43Å; E1010-R1028 IonicContact OE2-NH2 3.84Å; D1026-R1028 PolarHBondContact O-N 3.21Å; D1026-R1028 VanDerWaalsContact OD1-CA 3.32Å; D1026-R1028 WeakPolarHBondContact OD1-CA 3.38Å; D1026-R1028 WeakPolarHBondContact OD1-CB 3.3Å; D1026-R1028 PolarHBondContact OD1-N 3.43Å
1029	G	74.4	Confident	83.6	Confident	2 Å²	2	31.4 Å²	31.4	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	80.8	26.2	-175.2	0	0	0	0	0	112.3	D1026 K1064 F1065 V1067	D1026-G1029 PolarHBondContact O-N 3.12Å; D1026-G1029 PolarHBondContact OD1-N 3.38Å; D1026-G1029 VanDerWaalsContact OD1-N 3.13Å; G1029-K1064 CarbonylContact O-C 3.5Å; G1029-K1064 WeakPolarHBondContact O-CA 3.35Å; G1029-F1065 WeakPolarHBondContact CA-O 3.47Å; G1029-F1065 PolarHBondContact O-N 3Å; G1029-V1067 VanDerWaalsContact CA-CG2 3.45Å; G1029-V1067 VanDerWaalsContact N-CG2 3.31Å
1030	T	81.4	Confident	83	Confident	35 Å²	35	31.2 Å²	31.2	22%	0.215	13%	0.132	C	C	.	.			trans	-93.3	130.7	178.4	-38.2	0	0	0	0	109.8	I1025 D1026 L1058	I1025-T1030 WeakPolarHBondContact CA-O 3.42Å; D1026-T1030 VanDerWaalsContact CG-CB 3.42Å; D1026-T1030 PolarHBondContact N-O 3.24Å; D1026-T1030 VanDerWaalsContact N-O 3.07Å; D1026-T1030 VanDerWaalsContact OD1-CB 3.25Å; D1026-T1030 WeakPolarHBondContact OD1-CB 3.2Å; D1026-T1030 PolarHBondContact OD1-N 3.33Å; D1026-T1030 PolarHBondContact OD1-OG1 3.27Å; D1026-T1030 WeakPolarHBondContact OD2-CB 3.42Å; D1026-T1030 PolarHBondContact OD2-OG1 2.91Å; T1030-L1058 HydrophobicContact CG2-CD1 3.08Å
1031	L	87.2	Confident	82.1	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.7	177.4	-177.7	67.5	0	0	0	110.9	L683 V692 M1024 I1025 L1059 F1065	L683-L1031 HydrophobicContact CD1-CD1 4.23Å; V692-L1031 HydrophobicContact CG1-CD1 4.2Å; V692-L1031 HydrophobicContact CG1-CD2 4.38Å; V692-L1031 HydrophobicContact CG2-CD1 4.26Å; V692-L1031 HydrophobicContact CG2-CD2 4.11Å; M1024-L1031 WeakPolarHBondContact O-CA 3.46Å; I1025-L1031 HydrophobicContact CG1-CD1 3.99Å; L1031-L1059 HydrophobicContact CB-CB 4.47Å; L1031-L1059 HydrophobicContact CD2-CB 3.99Å; L1031-L1059 HydrophobicContact CD2-CD1 4.19Å; L1031-L1059 HydrophobicContact CG-CB 4.06Å; L1031-L1059 HydrophobicContact CG-CD1 4.21Å; L1031-L1059 PolarHBondContact O-N 2.95Å; L1031-F1065 HydrophobicContact CB-CD2 3.44Å; L1031-F1065 VanDerWaalsContact CB-CD2 3.44Å; L1031-F1065 HydrophobicContact CB-CE2 3.3Å; L1031-F1065 HydrophobicContact CB-CG 4.16Å; L1031-F1065 HydrophobicContact CB-CZ 3.9Å; L1031-F1065 HydrophobicContact CD2-CE1 4.06Å; L1031-F1065 HydrophobicContact CD2-CE2 4.01Å; L1031-F1065 HydrophobicContact CD2-CZ 3.69Å; L1031-F1065 HydrophobicContact CG-CE2 4.29Å; L1031-F1065 HydrophobicContact CG-CZ 4.44Å
1032	W	89.4	Confident	80.5	Confident	59 Å²	59	33.1 Å²	33.1	22%	0.223	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.5	176.5	-62.4	85.4	0	0	0	109.5	L1008 L1023 M1024 D1026 P1056 T1057 L1058	L1008-W1032 HydrophobicContact CD1-CG 4.35Å; L1008-W1032 HydrophobicContact CD2-CD2 3.63Å; L1008-W1032 HydrophobicContact CD2-CE3 3.7Å; L1008-W1032 HydrophobicContact CD2-CG 4.11Å; L1008-W1032 HydrophobicContact CD2-CH2 4.3Å; L1008-W1032 HydrophobicContact CD2-CZ2 4.25Å; L1008-W1032 HydrophobicContact CD2-CZ3 4.04Å; L1023-W1032 CarbonylContact C-O 3.58Å; L1023-W1032 WeakPolarHBondContact CA-O 3.28Å; M1024-W1032 HydrophobicContact CB-CB 4.39Å; M1024-W1032 PolarHBondContact N-O 2.96Å; M1024-W1032 PolarHBondContact O-N 3.01Å; D1026-W1032 PolarHBondContact OD2-NE1 2.9Å; W1032-P1056 HydrophobicContact CE3-CB 4.15Å; W1032-T1057 WeakPolarHBondContact CA-O 3.28Å; W1032-L1058 HydrophobicContact CZ3-CB 4.39Å
1033	G	90	Very high	78.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.6	176	0	0	0	0	0	113.6	S1022 T1057	S1022-G1033 VanDerWaalsContact O-CA 3.3Å; S1022-G1033 WeakPolarHBondContact O-CA 3.47Å; G1033-T1057 PolarHBondContact N-O 3.15Å; G1033-T1057 PolarHBondContact O-N 2.84Å
1034	F	89.8	Confident	76.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	158.8	174.2	50.1	-83.6	0	0	0	110.1	Q988 L989 G990 I1006 H1021 S1022 M1024 L1053 P1056	Q988-F1034 WeakPolarHBondContact O-CD2 3.07Å; Q988-F1034 WeakPolarHBondContact O-CE2 3.23Å; L989-F1034 VanDerWaalsContact C-CE2 3.48Å; G990-F1034 VanDerWaalsContact N-CE2 3.28Å; I1006-F1034 HydrophobicContact CD1-CE1 4Å; I1006-F1034 HydrophobicContact CD1-CE2 3.91Å; I1006-F1034 HydrophobicContact CD1-CZ 3.32Å; H1021-F1034 WeakPolarHBondContact CA-O 3.42Å; S1022-F1034 PolarHBondContact N-O 2.83Å; S1022-F1034 PolarHBondContact O-N 3.45Å; M1024-F1034 HydrophobicContact CE-CE1 3.23Å; M1024-F1034 HydrophobicContact CE-CZ 3.19Å; M1024-F1034 HydrophobicContact CG-CE1 4.45Å; M1024-F1034 HydrophobicContact SD-CE1 4.18Å; F1034-L1053 HydrophobicContact CB-CB 4.39Å; F1034-P1056 HydrophobicContact CD1-CB 4.19Å; F1034-P1056 HydrophobicContact CD1-CG 4.14Å; F1034-P1056 HydrophobicContact CE1-CG 4.45Å
1035	G	88.8	Confident	74.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-156.1	-167.5	0	0	0	0	0	114	S986 N1020 R1037 M1040 C1052 L1053	S986-G1035 CarbonylContact O-C 3.49Å; S986-G1035 WeakPolarHBondContact O-CA 3.35Å; N1020-G1035 CarbonylContact O-C 3.59Å; N1020-G1035 VanDerWaalsContact O-CA 3.28Å; N1020-G1035 WeakPolarHBondContact O-CA 3.28Å; G1035-R1037 PolarHBondContact O-N 3.02Å; G1035-M1040 WeakPolarHBondContact O-CE 3.46Å; G1035-C1052 CarbonylContact O-C 3.59Å; G1035-C1052 WeakPolarHBondContact O-CA 3.19Å; G1035-L1053 PolarHBondContact N-O 2.79Å; G1035-L1053 PolarHBondContact O-N 3.39Å
1036	K	84.7	Confident	72.1	Confident	64 Å²	64	60 Å²	60	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	119.6	-178.7	-169.6	-176.6	-178.9	-167.5	0	111.9	N1020 Q1038 M1040	N1020-K1036 HydrophobicContact CB-CB 3.99Å; N1020-K1036 PolarHBondContact O-N 3.2Å; K1036-Q1038 HydrophobicContact CG-CB 4.44Å; K1036-Q1038 VanDerWaalsContact NZ-OE1 3.08Å; K1036-Q1038 PolarHBondContact O-N 3.03Å; K1036-M1040 VanDerWaalsContact O-CE 3.23Å; K1036-M1040 WeakPolarHBondContact O-CE 3.47Å
1037	R	78.4	Confident	70.4	Confident	42 Å²	42	67.8 Å²	67.8	16%	0.158	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.5	-35.1	-175	-74.7	-171.3	-172.6	179	7.9	114.7	G1035 S1039 M1040 I1041 L1045 D1050 A1051 L1053	G1035-R1037 PolarHBondContact O-N 3.02Å; R1037-S1039 PolarHBondContact O-N 2.64Å; R1037-S1039 VanDerWaalsContact O-N 3.12Å; R1037-M1040 PolarHBondContact O-N 2.54Å; R1037-I1041 PolarHBondContact O-N 3.3Å; R1037-L1045 HydrophobicContact CB-CD1 4.18Å; R1037-D1050 VanDerWaalsContact CD-O 3.22Å; R1037-D1050 WeakPolarHBondContact CD-O 3.39Å; R1037-D1050 PolarHBondContact NE-O 3.17Å; R1037-A1051 PolarHBondContact N-O 3.23Å; R1037-L1053 HydrophobicContact CG-CD1 4.03Å; R1037-L1053 HydrophobicContact CG-CD2 4.33Å; R1037-L1053 HydrophobicContact CG-CG 3.67Å
1038	Q	71.3	Confident	68.8	Low	82 Å²	82	69.6 Å²	69.6	38%	0.383	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-59.5	-26.1	-175.2	-163.9	177.5	15.4	0	0	113.5	Y707 K1036	Y707-Q1038 HydrophobicContact CE2-CG 3.86Å; Y707-Q1038 WeakPolarHBondContact OH-CG 3.46Å; K1036-Q1038 HydrophobicContact CG-CB 4.44Å; K1036-Q1038 VanDerWaalsContact NZ-OE1 3.08Å; K1036-Q1038 PolarHBondContact O-N 3.03Å
1039	S	69.9	Low	67.9	Low	3 Å²	3	70 Å²	70	2%	0.021	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-89.7	0.4	179.1	-50	0	0	0	0	113.7	S690 Y702 H1021 R1037	S690-S1039 PolarHBondContact OG-O 2.74Å; Y702-S1039 WeakPolarHBondContact CB-O 3.25Å; H1021-S1039 VanDerWaalsContact CE1-CB 3.42Å; H1021-S1039 WeakPolarHBondContact CE1-CB 3.08Å; H1021-S1039 VanDerWaalsContact ND1-CB 3.29Å; H1021-S1039 WeakPolarHBondContact ND1-CB 3.36Å; R1037-S1039 PolarHBondContact O-N 2.64Å; R1037-S1039 VanDerWaalsContact O-N 3.12Å
1040	M	70.6	Confident	67.2	Low	2 Å²	2	76 Å²	76	1%	0.01	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-10.2	-172	-62.6	-171.2	-82.8	0	0	114.4	Y702 H1021 L1023 G1035 K1036 R1037 L1053 L1059	Y702-M1040 VanDerWaalsContact CD1-C 3.48Å; Y702-M1040 WeakPolarHBondContact CD1-O 3.39Å; Y702-M1040 WeakPolarHBondContact CE1-O 3.2Å; H1021-M1040 HydrophobicContact CB-CE 4.08Å; H1021-M1040 HydrophobicContact CB-CG 3.97Å; H1021-M1040 HydrophobicContact CB-SD 4.01Å; L1023-M1040 HydrophobicContact CD2-CB 4.46Å; L1023-M1040 HydrophobicContact CD2-CG 3.85Å; L1023-M1040 HydrophobicContact CD2-SD 3.78Å; G1035-M1040 WeakPolarHBondContact O-CE 3.46Å; K1036-M1040 VanDerWaalsContact O-CE 3.23Å; K1036-M1040 WeakPolarHBondContact O-CE 3.47Å; R1037-M1040 PolarHBondContact O-N 2.54Å; M1040-L1053 HydrophobicContact CE-CD1 3.8Å; M1040-L1053 HydrophobicContact CE-CG 4.5Å; M1040-L1059 HydrophobicContact CB-CD1 4.02Å; M1040-L1059 HydrophobicContact CG-CD1 4.49Å; M1040-L1059 HydrophobicContact SD-CD1 4.22Å
1041	I	67.6	Low	66.9	Low	55 Å²	55	77.9 Å²	77.9	28%	0.282	39%	0.393	S	S	.	.			trans	-130.3	136.2	-176.2	-58.8	173.5	0	0	0	109.2	R1037 L1045	R1037-I1041 PolarHBondContact O-N 3.3Å; I1041-L1045 HydrophobicContact CD1-CD2 4.24Å
1042	G	55.4	Low	66.6	Low	35 Å²	35	79.5 Å²	79.5	36%	0.361	40%	0.404	S	S	.	.			trans	-84.6	-22.1	-174.6	0	0	0	0	0	116
1043	H	51.7	Low	66.4	Low	154 Å²	154	77.2 Å²	77.2	71%	0.713	40%	0.396	S	S	*	.	S	Bend	trans	-87.7	148.1	-180	-72.5	-81.6	0	0	0	112	L1045	H1043-L1045 PolarHBondContact O-N 3.4Å; H1043-L1045 VanDerWaalsContact O-N 3.08Å
1044	K	43.6	Very low	66.1	Low	191 Å²	191	79.4 Å²	79.4	83%	0.83	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-51.8	116.9	164.6	-78.6	-177.3	175.8	179.5	0	107.5	D1046	K1044-D1046 PolarHBondContact O-N 3.19Å
1045	L	46.3	Very low	65.8	Low	66 Å²	66	85.7 Å²	85.7	35%	0.346	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.9	175.5	-72.1	159.6	0	0	0	107.8	R1037 I1041 H1043 D1047	R1037-L1045 HydrophobicContact CB-CD1 4.18Å; I1041-L1045 HydrophobicContact CD1-CD2 4.24Å; H1043-L1045 PolarHBondContact O-N 3.4Å; H1043-L1045 VanDerWaalsContact O-N 3.08Å; L1045-D1047 PolarHBondContact O-N 3.07Å
1046	D	45	Very low	65.7	Low	154 Å²	154	87 Å²	87	82%	0.824	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-57.2	126.8	158.8	-67.7	-37.9	0	0	0	107.3	K1044 Q1048	K1044-D1046 PolarHBondContact O-N 3.19Å; D1046-Q1048 PolarHBondContact O-N 3.19Å
1047	D	46.8	Very low	65.8	Low	168 Å²	168	86 Å²	86	90%	0.898	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	15.7	-163.4	-90.7	-31.2	0	0	0	116.4	L1045	L1045-D1047 PolarHBondContact O-N 3.07Å
1048	Q	42.8	Very low	66	Low	188 Å²	188	87.6 Å²	87.6	88%	0.879	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	24.5	-172.4	-65.5	-152.6	-2.5	0	0	117.7	D1046	D1046-Q1048 PolarHBondContact O-N 3.19Å
1049	K	51.4	Low	66.4	Low	169 Å²	169	84.2 Å²	84.2	74%	0.735	44%	0.442	S	S	*	.	S	Bend	trans	-122.1	138.4	164.5	-74.1	-177.8	178.1	168.6	0	112.2	A1051	K1049-A1051 PolarHBondContact O-N 2.86Å
1050	D	59.3	Low	66.4	Low	128 Å²	128	86.7 Å²	86.7	68%	0.684	45%	0.453	S	S	*	.			trans	-26.9	119.2	-178.5	-68.6	-32.1	0	0	0	114.3	R1037 C1052	R1037-D1050 VanDerWaalsContact CD-O 3.22Å; R1037-D1050 WeakPolarHBondContact CD-O 3.39Å; R1037-D1050 PolarHBondContact NE-O 3.17Å; D1050-C1052 PolarHBondContact O-N 3.4Å
1051	A	73.8	Confident	65.8	Low	75 Å²	75	90.6 Å²	90.6	62%	0.62	49%	0.486	S	S	*	.	S	Bend	trans	-59.6	-17.8	-177.5	0	0	0	0	0	114.3	R1037 K1049	R1037-A1051 PolarHBondContact N-O 3.23Å; K1049-A1051 PolarHBondContact O-N 2.86Å
1052	C	82.2	Confident	65.3	Low	34 Å²	34	91.6 Å²	91.6	23%	0.23	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.1	-178.8	-62.4	0	0	0	0	112.2	S986 Y987 G1035 D1050	S986-C1052 WeakPolarHBondContact O-CB 3.46Å; Y987-C1052 HydrophobicContact CD2-CB 3.8Å; Y987-C1052 HydrophobicContact CE2-CB 4.35Å; G1035-C1052 CarbonylContact O-C 3.59Å; G1035-C1052 WeakPolarHBondContact O-CA 3.19Å; D1050-C1052 PolarHBondContact O-N 3.4Å
1053	L	84.6	Confident	65.6	Low	12 Å²	12	94.4 Å²	94.4	6%	0.063	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.8	176.1	-71.1	171.7	0	0	0	110	F1034 G1035 R1037 M1040 T1057 L1059	F1034-L1053 HydrophobicContact CB-CB 4.39Å; G1035-L1053 PolarHBondContact N-O 2.79Å; G1035-L1053 PolarHBondContact O-N 3.39Å; R1037-L1053 HydrophobicContact CG-CD1 4.03Å; R1037-L1053 HydrophobicContact CG-CD2 4.33Å; R1037-L1053 HydrophobicContact CG-CG 3.67Å; M1040-L1053 HydrophobicContact CE-CD1 3.8Å; M1040-L1053 HydrophobicContact CE-CG 4.5Å; L1053-T1057 HydrophobicContact CD2-CG2 4.26Å; L1053-L1059 HydrophobicContact CD1-CD2 4.39Å
1054	S	83.7	Confident	66.3	Low	45 Å²	45	92.4 Å²	92.4	32%	0.315	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-9.4	-176.7	59.8	0	0	0	0	115.7	G990 I991	G990-S1054 CarbonylContact C-O 3.58Å; I991-S1054 CarbonylContact C-O 3.55Å
1055	K	84.4	Confident	67.6	Low	133 Å²	133	83.5 Å²	83.5	58%	0.578	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.3	179.4	63.2	179.8	180	178.4	0	109.9	T1057	K1055-T1057 PolarHBondContact O-N 3.23Å; K1055-T1057 PolarHBondContact O-OG1 3.49Å
1056	P	85.7	Confident	68.5	Low	26 Å²	26	80.5 Å²	80.5	17%	0.169	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	118.7	171.8	-23.1	32	0	0	0	110.3	I1006 L1008 W1032 F1034	I1006-P1056 HydrophobicContact CG2-CG 3.5Å; L1008-P1056 HydrophobicContact CD2-CB 3.85Å; L1008-P1056 HydrophobicContact CD2-CG 4.48Å; W1032-P1056 HydrophobicContact CE3-CB 4.15Å; F1034-P1056 HydrophobicContact CD1-CB 4.19Å; F1034-P1056 HydrophobicContact CD1-CG 4.14Å; F1034-P1056 HydrophobicContact CE1-CG 4.45Å
1057	T	86.6	Confident	69.1	Low	43 Å²	43	75.1 Å²	75.1	26%	0.264	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	-177.4	-56.8	0	0	0	0	108.5	W1032 G1033 L1053 K1055 L1059	W1032-T1057 WeakPolarHBondContact CA-O 3.28Å; G1033-T1057 PolarHBondContact N-O 3.15Å; G1033-T1057 PolarHBondContact O-N 2.84Å; L1053-T1057 HydrophobicContact CD2-CG2 4.26Å; K1055-T1057 PolarHBondContact O-N 3.23Å; K1055-T1057 PolarHBondContact O-OG1 3.49Å; T1057-L1059 PolarHBondContact O-N 3.03Å
1058	L	83.7	Confident	69.7	Low	77 Å²	77	68.7 Å²	68.7	40%	0.403	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	120.6	174.8	176.6	61	0	0	0	109.1	T1030 W1032 A1061	T1030-L1058 HydrophobicContact CG2-CD1 3.08Å; W1032-L1058 HydrophobicContact CZ3-CB 4.39Å; L1058-A1061 HydrophobicContact CD2-CB 3.65Å; L1058-A1061 HydrophobicContact CG-CB 4.21Å
1059	L	78.7	Confident	70.2	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.058	37%	0.366	C	S	.	.			trans	-97	135.1	172.3	-59.5	-178.8	0	0	0	108.5	L1023 L1031 M1040 L1053 T1057	L1023-L1059 HydrophobicContact CD2-CD1 3.61Å; L1031-L1059 HydrophobicContact CB-CB 4.47Å; L1031-L1059 HydrophobicContact CD2-CB 3.99Å; L1031-L1059 HydrophobicContact CD2-CD1 4.19Å; L1031-L1059 HydrophobicContact CG-CB 4.06Å; L1031-L1059 HydrophobicContact CG-CD1 4.21Å; L1031-L1059 PolarHBondContact O-N 2.95Å; M1040-L1059 HydrophobicContact CB-CD1 4.02Å; M1040-L1059 HydrophobicContact CG-CD1 4.49Å; M1040-L1059 HydrophobicContact SD-CD1 4.22Å; L1053-L1059 HydrophobicContact CD1-CD2 4.39Å; T1057-L1059 PolarHBondContact O-N 3.03Å
1060	E	69.5	Low	69.9	Low	54 Å²	54	66.4 Å²	66.4	25%	0.252	37%	0.37	S	S	.	.			trans	49	64.9	172.3	-63.3	-172.7	148.9	0	0	115.2	R700 Y702 G1062 Y1063 F1065	R700-E1060 WeakPolarHBondContact CD-OE2 2.87Å; R700-E1060 IonicContact CZ-OE1 3.53Å; R700-E1060 VanDerWaalsContact CZ-OE1 3.26Å; R700-E1060 IonicContact CZ-OE2 3.44Å; R700-E1060 IonicContact NE-OE1 3Å; R700-E1060 PolarHBondContact NE-OE1 3.43Å; R700-E1060 IonicContact NE-OE2 2.67Å; R700-E1060 PolarHBondContact NE-OE2 2.83Å; R700-E1060 IonicContact NH2-OE1 2.83Å; R700-E1060 PolarHBondContact NH2-OE1 2.98Å; R700-E1060 IonicContact NH2-OE2 3.45Å; Y702-E1060 PolarHBondContact OH-OE2 3.03Å; E1060-G1062 PolarHBondContact O-N 3.34Å; E1060-Y1063 HydrophobicContact CB-CD2 4.1Å; E1060-Y1063 PolarHBondContact O-N 3.45Å; E1060-F1065 HydrophobicContact CB-CZ 4.45Å
1061	A	58.9	Low	69.3	Low	85 Å²	85	65.8 Å²	65.8	70%	0.702	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.2	-176.5	0	0	0	0	0	116.3	L1058	L1058-A1061 HydrophobicContact CD2-CB 3.65Å; L1058-A1061 HydrophobicContact CG-CB 4.21Å
1062	G	58.1	Low	68.1	Low	75 Å²	75	63.4 Å²	63.4	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.2	178.2	0	0	0	0	0	115.2	E1060	E1060-G1062 PolarHBondContact O-N 3.34Å
1063	Y	61.7	Low	66.6	Low	95 Å²	95	62.4 Å²	62.4	37%	0.373	33%	0.329	S	S	.	.			trans	-114.2	149.6	-174.1	-62.5	-88.9	0	0	0	112.2	R700 E1060	R700-Y1063 VanDerWaalsContact NH1-CZ 3.34Å; R700-Y1063 PolarHBondContact NH1-OH 3.48Å; E1060-Y1063 HydrophobicContact CB-CD2 4.1Å; E1060-Y1063 PolarHBondContact O-N 3.45Å
1064	K	65.6	Low	64.8	Low	111 Å²	111	63 Å²	63	48%	0.483	33%	0.333	S	S	.	.			trans	-104.9	147.3	162.5	-69.2	-170.9	178.7	-172.6	0	108.8	T694 S695 G1029	T694-K1064 CarbonylContact C-O 3.53Å; S695-K1064 VanDerWaalsContact CB-O 3.25Å; S695-K1064 WeakPolarHBondContact CB-O 2.96Å; S695-K1064 PolarHBondContact N-O 3.44Å; S695-K1064 WeakPolarHBondContact OG-CB 3.35Å; S695-K1064 PolarHBondContact OG-O 3.43Å; G1029-K1064 CarbonylContact O-C 3.5Å; G1029-K1064 WeakPolarHBondContact O-CA 3.35Å
1065	F	70.6	Confident	63.1	Low	5 Å²	5	62.7 Å²	62.7	2%	0.022	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-114.7	158	-177	-61.9	-86.8	0	0	0	111.3	V692 L693 T694 I1025 G1029 L1031 E1060 V1067	V692-F1065 HydrophobicContact CB-CD1 4.18Å; V692-F1065 HydrophobicContact CB-CE1 4.18Å; V692-F1065 HydrophobicContact CG1-CB 4.4Å; V692-F1065 HydrophobicContact CG1-CD1 3.29Å; V692-F1065 HydrophobicContact CG1-CE1 3.73Å; V692-F1065 HydrophobicContact CG1-CG 4.03Å; L693-F1065 WeakPolarHBondContact O-CA 3.35Å; L693-F1065 WeakPolarHBondContact O-CB 3.49Å; L693-F1065 WeakPolarHBondContact O-CD1 3.44Å; T694-F1065 HydrophobicContact CG2-CD1 4.26Å; T694-F1065 HydrophobicContact CG2-CE1 4.05Å; I1025-F1065 HydrophobicContact CD1-CB 3.95Å; I1025-F1065 HydrophobicContact CG1-CB 4.31Å; I1025-F1065 HydrophobicContact CG2-CB 4.5Å; G1029-F1065 WeakPolarHBondContact CA-O 3.47Å; G1029-F1065 PolarHBondContact O-N 3Å; L1031-F1065 HydrophobicContact CB-CD2 3.44Å; L1031-F1065 VanDerWaalsContact CB-CD2 3.44Å; L1031-F1065 HydrophobicContact CB-CE2 3.3Å; L1031-F1065 HydrophobicContact CB-CG 4.16Å; L1031-F1065 HydrophobicContact CB-CZ 3.9Å; L1031-F1065 HydrophobicContact CD2-CE1 4.06Å; L1031-F1065 HydrophobicContact CD2-CE2 4.01Å; L1031-F1065 HydrophobicContact CD2-CZ 3.69Å; L1031-F1065 HydrophobicContact CG-CE2 4.29Å; L1031-F1065 HydrophobicContact CG-CZ 4.44Å; E1060-F1065 HydrophobicContact CB-CZ 4.45Å; F1065-V1067 PolarHBondContact O-N 3.23Å
1066	V	66.2	Low	61.6	Low	3 Å²	3	57 Å²	57	2%	0.018	31%	0.305	C	S	.	.			trans	-65.3	118.2	179.6	-176.7	0	0	0	0	109.3	L680 L693 T694 L697	L680-V1066 HydrophobicContact CD1-CG1 4.44Å; L693-V1066 HydrophobicContact CB-CB 4.31Å; L693-V1066 HydrophobicContact CB-CG2 3.8Å; L693-V1066 PolarHBondContact O-N 3.3Å; T694-V1066 WeakPolarHBondContact O-CG2 3.46Å; L697-V1066 HydrophobicContact CD2-CG2 3.9Å
1067	V	56.7	Low	60.1	Low	41 Å²	41	56.6 Å²	56.6	25%	0.248	30%	0.303	C	S	.	.			trans	-83.5	129.6	164.7	-178.3	0	0	0	0	107	I1025 D1026 G1029 F1065 D1069	I1025-V1067 HydrophobicContact CG2-CG2 4.23Å; D1026-V1067 WeakPolarHBondContact O-CG2 3.22Å; G1029-V1067 VanDerWaalsContact CA-CG2 3.45Å; G1029-V1067 VanDerWaalsContact N-CG2 3.31Å; F1065-V1067 PolarHBondContact O-N 3.23Å; V1067-D1069 VanDerWaalsContact C-N 3.33Å; V1067-D1069 PolarHBondContact O-N 2.94Å
1068	P	60.5	Low	58.7	Low	32 Å²	32	55.2 Å²	55.2	21%	0.208	29%	0.293	C	S	.	.			trans	-60.7	94.8	168.5	-20.2	32.1	0	0	0	109.6	L680	L680-P1068 VanDerWaalsContact O-CB 3.3Å; L680-P1068 WeakPolarHBondContact O-CB 3.34Å; L680-P1068 WeakPolarHBondContact O-CG 3.35Å
1069	D	53.5	Low	57.5	Low	92 Å²	92	58.6 Å²	58.6	49%	0.492	30%	0.301	S	S	.	.			trans	-85.8	133.2	164.4	-163.4	-7.3	0	0	0	108.1	V1067 R1071	V1067-D1069 VanDerWaalsContact C-N 3.33Å; V1067-D1069 PolarHBondContact O-N 2.94Å; D1069-R1071 PolarHBondContact O-N 3.37Å; D1069-R1071 PolarHBondContact OD1-N 3.23Å; D1069-R1071 IonicContact OD2-NE 2.88Å
1070	R	43.7	Very low	56.5	Low	217 Å²	217	58.1 Å²	58.1	82%	0.819	30%	0.298	S	S	*	.	S	Bend	trans	-73.8	-3.5	179.5	-75.2	-171.3	177.7	-173.2	-0.4	112.8	P1072	R1070-P1072 WeakPolarHBondContact O-CD 3.1Å
1071	R	47.5	Very low	56.2	Low	116 Å²	116	56 Å²	56	44%	0.438	29%	0.288	S	S	.	.			trans	-71.2	106.5	173.7	-61.7	-175.9	-158.7	-155.9	-1	108.7	N610 D1069 I1073	N610-R1071 PolarHBondContact OD1-NH1 2.99Å; N610-R1071 VanDerWaalsContact OD1-NH1 3.1Å; D1069-R1071 PolarHBondContact O-N 3.37Å; D1069-R1071 PolarHBondContact OD1-N 3.23Å; D1069-R1071 IonicContact OD2-NE 2.88Å; R1071-I1073 PolarHBondContact O-N 3.34Å
1072	P	48	Very low	56.4	Low	25 Å²	25	51.9 Å²	51.9	16%	0.162	26%	0.255	C	S	.	.			trans	-67.7	126	173.3	-9.1	28.8	0	0	0	105.7	C676 R1070 V1074 L1075 S1076	C676-P1072 WeakPolarHBondContact O-CG 3.18Å; R1070-P1072 WeakPolarHBondContact O-CD 3.1Å; P1072-V1074 PolarHBondContact O-N 3.24Å; P1072-L1075 HydrophobicContact CB-CB 3.97Å; P1072-L1075 HydrophobicContact CB-CD1 4.42Å; P1072-L1075 HydrophobicContact CG-CB 3.77Å; P1072-L1075 HydrophobicContact CG-CD1 3.8Å; P1072-L1075 HydrophobicContact CG-CG 4.43Å; P1072-L1075 PolarHBondContact O-N 3.33Å; P1072-S1076 WeakPolarHBondContact O-CB 3.35Å; P1072-S1076 PolarHBondContact O-N 3.01Å
1073	I	50.2	Low	56.6	Low	12 Å²	12	50.3 Å²	50.3	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-45.9	-42	-179.3	-51.8	-165.6	0	0	0	110.2	W606 L647 L650 Y737 R1071 A1077	W606-I1073 HydrophobicContact CE3-CD1 4.46Å; W606-I1073 HydrophobicContact CE3-CG2 4.39Å; W606-I1073 HydrophobicContact CH2-CB 3.74Å; W606-I1073 HydrophobicContact CH2-CD1 4.18Å; W606-I1073 HydrophobicContact CH2-CG1 3.49Å; W606-I1073 VanDerWaalsContact CH2-CG1 3.49Å; W606-I1073 HydrophobicContact CH2-CG2 3.73Å; W606-I1073 HydrophobicContact CZ2-CB 4.28Å; W606-I1073 HydrophobicContact CZ2-CG1 4.48Å; W606-I1073 HydrophobicContact CZ2-CG2 3.94Å; W606-I1073 HydrophobicContact CZ3-CB 4.13Å; W606-I1073 HydrophobicContact CZ3-CD1 3.69Å; W606-I1073 HydrophobicContact CZ3-CG1 3.54Å; W606-I1073 HydrophobicContact CZ3-CG2 3.93Å; L647-I1073 HydrophobicContact CD2-CG2 3.52Å; L650-I1073 HydrophobicContact CD2-CD1 4.41Å; L650-I1073 HydrophobicContact CD2-CG2 4.12Å; Y737-I1073 HydrophobicContact CE1-CD1 3.71Å; R1071-I1073 PolarHBondContact O-N 3.34Å; I1073-A1077 WeakPolarHBondContact O-CB 3.44Å; I1073-A1077 PolarHBondContact O-N 3.43Å
1074	V	48.1	Very low	56.7	Low	24 Å²	24	45.9 Å²	45.9	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-53.2	176.3	-174.5	0	0	0	0	114.1	V672 W675 P1072 S1076 A1077 W1078	V672-V1074 HydrophobicContact CG1-CB 4.38Å; V672-V1074 HydrophobicContact CG1-CG1 3.29Å; V672-V1074 HydrophobicContact CG1-CG2 4.25Å; W675-V1074 HydrophobicContact CB-CG2 4Å; W675-V1074 HydrophobicContact CD2-CG2 4.21Å; W675-V1074 HydrophobicContact CE3-CG2 3.36Å; W675-V1074 HydrophobicContact CZ3-CG2 4.06Å; P1072-V1074 PolarHBondContact O-N 3.24Å; V1074-S1076 VanDerWaalsContact C-N 3.32Å; V1074-S1076 PolarHBondContact O-N 3.04Å; V1074-A1077 CarbonylContact O-C 3.5Å; V1074-A1077 WeakPolarHBondContact O-CA 3.03Å; V1074-A1077 WeakPolarHBondContact O-CB 3.4Å; V1074-A1077 PolarHBondContact O-N 3.01Å; V1074-A1077 VanDerWaalsContact O-N 3.16Å; V1074-W1078 WeakPolarHBondContact O-CB 3.17Å; V1074-W1078 PolarHBondContact O-N 3.23Å
1075	L	47.9	Very low	56.6	Low	39 Å²	39	40.7 Å²	40.7	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-36.6	-177	-105.4	156.7	0	0	0	111	C676 P1072 W1078 R1079	C676-L1075 HydrophobicContact CB-CD1 3.49Å; C676-L1075 VanDerWaalsContact CB-CD1 3.49Å; C676-L1075 HydrophobicContact CB-CG 4.21Å; P1072-L1075 HydrophobicContact CB-CB 3.97Å; P1072-L1075 HydrophobicContact CB-CD1 4.42Å; P1072-L1075 HydrophobicContact CG-CB 3.77Å; P1072-L1075 HydrophobicContact CG-CD1 3.8Å; P1072-L1075 HydrophobicContact CG-CG 4.43Å; P1072-L1075 PolarHBondContact O-N 3.33Å; L1075-W1078 PolarHBondContact O-N 2.97Å; L1075-R1079 WeakPolarHBondContact O-CB 3.16Å; L1075-R1079 WeakPolarHBondContact O-CG 3.43Å; L1075-R1079 PolarHBondContact O-N 3.1Å
1076	S	52.6	Low	56.4	Low	15 Å²	15	43.2 Å²	43.2	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-49.8	169.1	-166.9	0	0	0	0	109.6	Y643 P1072 V1074 W1078 R1079 S1080	Y643-S1076 PolarHBondContact OH-OG 3.45Å; P1072-S1076 WeakPolarHBondContact O-CB 3.35Å; P1072-S1076 PolarHBondContact O-N 3.01Å; V1074-S1076 VanDerWaalsContact C-N 3.32Å; V1074-S1076 PolarHBondContact O-N 3.04Å; S1076-W1078 VanDerWaalsContact C-N 3.34Å; S1076-W1078 PolarHBondContact O-N 2.72Å; S1076-R1079 PolarHBondContact O-N 3.26Å; S1076-S1080 WeakPolarHBondContact O-CB 3.31Å; S1076-S1080 PolarHBondContact O-N 3.06Å; S1076-S1080 PolarHBondContact O-OG 3.48Å
1077	A	53.8	Low	56.2	Low	17 Å²	17	44.2 Å²	44.2	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-44.1	176	0	0	0	0	0	112.9	L647 I1073 V1074 S1080 F1081	L647-A1077 HydrophobicContact CB-CB 4.41Å; L647-A1077 HydrophobicContact CD1-CB 3.38Å; L647-A1077 HydrophobicContact CD2-CB 3.91Å; L647-A1077 HydrophobicContact CG-CB 4.11Å; I1073-A1077 WeakPolarHBondContact O-CB 3.44Å; I1073-A1077 PolarHBondContact O-N 3.43Å; V1074-A1077 CarbonylContact O-C 3.5Å; V1074-A1077 WeakPolarHBondContact O-CA 3.03Å; V1074-A1077 WeakPolarHBondContact O-CB 3.4Å; V1074-A1077 PolarHBondContact O-N 3.01Å; V1074-A1077 VanDerWaalsContact O-N 3.16Å; A1077-S1080 WeakPolarHBondContact O-CB 3.17Å; A1077-S1080 PolarHBondContact O-N 3.1Å; A1077-F1081 WeakPolarHBondContact O-CB 3.22Å; A1077-F1081 PolarHBondContact O-N 2.91Å
1078	W	57.7	Low	56.4	Low	14 Å²	14	42.9 Å²	42.9	5%	0.053	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-54.8	178.4	174.3	-105.1	0	0	0	111.5	V1074 L1075 S1076 S1080 F1081 V1082 M1111 R1112 L1115 Q1143 D1146 V1147	V1074-W1078 WeakPolarHBondContact O-CB 3.17Å; V1074-W1078 PolarHBondContact O-N 3.23Å; L1075-W1078 PolarHBondContact O-N 2.97Å; S1076-W1078 VanDerWaalsContact C-N 3.34Å; S1076-W1078 PolarHBondContact O-N 2.72Å; W1078-S1080 PolarHBondContact O-N 3.11Å; W1078-F1081 HydrophobicContact CZ3-CD1 4.39Å; W1078-F1081 PolarHBondContact O-N 2.9Å; W1078-F1081 VanDerWaalsContact O-N 3.14Å; W1078-V1082 HydrophobicContact CD2-CG2 4.03Å; W1078-V1082 HydrophobicContact CE3-CG2 4.47Å; W1078-V1082 HydrophobicContact CH2-CG2 3.96Å; W1078-V1082 HydrophobicContact CZ2-CG2 3.5Å; W1078-V1082 VanDerWaalsContact CZ2-CG2 3.5Å; W1078-V1082 HydrophobicContact CZ3-CG2 4.44Å; W1078-V1082 WeakPolarHBondContact O-CB 3.45Å; W1078-V1082 VanDerWaalsContact O-CG2 3.32Å; W1078-V1082 WeakPolarHBondContact O-CG2 3.47Å; W1078-V1082 PolarHBondContact O-N 2.61Å; W1078-M1111 HydrophobicContact CH2-CB 3.4Å; W1078-M1111 VanDerWaalsContact CH2-CB 3.4Å; W1078-M1111 HydrophobicContact CH2-CG 4.47Å; W1078-M1111 HydrophobicContact CZ2-CB 4.2Å; W1078-M1111 HydrophobicContact CZ3-CB 3.65Å; W1078-R1112 HydrophobicContact CZ3-CB 4.17Å; W1078-L1115 HydrophobicContact CH2-CD1 3.79Å; W1078-L1115 HydrophobicContact CZ3-CD1 4.35Å; W1078-Q1143 HydrophobicContact CZ2-CB 4.32Å; W1078-D1146 HydrophobicContact CZ2-CB 4.37Å; W1078-V1147 HydrophobicContact CH2-CG2 3.44Å; W1078-V1147 VanDerWaalsContact CH2-CG2 3.44Å; W1078-V1147 HydrophobicContact CZ2-CG2 3.53Å
1079	R	58.7	Low	56.5	Low	148 Å²	148	41.7 Å²	41.7	56%	0.558	19%	0.192	S	C	*	.	H	α-helix	trans	-63.2	-33.9	178.1	-71.9	-179.7	175.7	174.2	0.7	111.8	L1075 S1076 S1083	L1075-R1079 WeakPolarHBondContact O-CB 3.16Å; L1075-R1079 WeakPolarHBondContact O-CG 3.43Å; L1075-R1079 PolarHBondContact O-N 3.1Å; S1076-R1079 PolarHBondContact O-N 3.26Å; R1079-S1083 WeakPolarHBondContact O-CB 3.4Å; R1079-S1083 PolarHBondContact O-N 2.85Å
1080	S	57.2	Low	56.9	Low	1 Å²	1	45 Å²	45	1%	0.007	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-53.6	171.4	-57.2	0	0	0	0	110.6	L611 Y643 S1076 A1077 W1078 V1082 S1083 V1084	L611-S1080 WeakPolarHBondContact CD1-OG 3.46Å; L611-S1080 VanDerWaalsContact CD2-CB 3.5Å; L611-S1080 VanDerWaalsContact CD2-OG 3.23Å; L611-S1080 WeakPolarHBondContact CD2-OG 3.08Å; Y643-S1080 WeakPolarHBondContact CE1-OG 3.25Å; S1076-S1080 WeakPolarHBondContact O-CB 3.31Å; S1076-S1080 PolarHBondContact O-N 3.06Å; S1076-S1080 PolarHBondContact O-OG 3.48Å; A1077-S1080 WeakPolarHBondContact O-CB 3.17Å; A1077-S1080 PolarHBondContact O-N 3.1Å; W1078-S1080 PolarHBondContact O-N 3.11Å; S1080-V1082 VanDerWaalsContact C-N 3.32Å; S1080-V1082 PolarHBondContact O-N 3.29Å; S1080-S1083 CarbonylContact O-C 3.59Å; S1080-S1083 WeakPolarHBondContact O-CB 3.42Å; S1080-S1083 PolarHBondContact O-N 3.06Å; S1080-S1083 VanDerWaalsContact O-N 3.13Å; S1080-V1084 WeakPolarHBondContact O-CB 3.5Å; S1080-V1084 WeakPolarHBondContact O-CG2 3.37Å; S1080-V1084 PolarHBondContact O-N 2.92Å
1081	F	62.6	Low	57.5	Low	8 Å²	8	34.9 Å²	34.9	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-46	-178.2	178	-96.5	0	0	0	111.1	L644 A1077 W1078 V1084 T1085 R1112 L1115 L1116	L644-F1081 HydrophobicContact CD1-CD2 4.02Å; L644-F1081 HydrophobicContact CD2-CB 3.76Å; L644-F1081 HydrophobicContact CD2-CD2 3.96Å; L644-F1081 HydrophobicContact CD2-CG 4.37Å; A1077-F1081 WeakPolarHBondContact O-CB 3.22Å; A1077-F1081 PolarHBondContact O-N 2.91Å; W1078-F1081 HydrophobicContact CZ3-CD1 4.39Å; W1078-F1081 PolarHBondContact O-N 2.9Å; W1078-F1081 VanDerWaalsContact O-N 3.14Å; F1081-V1084 PolarHBondContact O-N 3.01Å; F1081-T1085 VanDerWaalsContact O-CB 3.28Å; F1081-T1085 WeakPolarHBondContact O-CB 3.44Å; F1081-T1085 PolarHBondContact O-N 3.07Å; F1081-T1085 PolarHBondContact O-OG1 3.2Å; F1081-R1112 HydrophobicContact CD1-CG 3.94Å; F1081-R1112 HydrophobicContact CD2-CG 4.26Å; F1081-R1112 HydrophobicContact CE1-CB 4.34Å; F1081-R1112 HydrophobicContact CE1-CG 3.68Å; F1081-R1112 HydrophobicContact CE2-CG 4.04Å; F1081-R1112 HydrophobicContact CG-CG 4.23Å; F1081-R1112 HydrophobicContact CZ-CG 3.76Å; F1081-L1115 HydrophobicContact CD1-CD1 4.01Å; F1081-L1115 HydrophobicContact CE1-CB 3.58Å; F1081-L1115 HydrophobicContact CE1-CD1 3.58Å; F1081-L1115 HydrophobicContact CE1-CG 4.23Å; F1081-L1115 HydrophobicContact CZ-CB 4.04Å; F1081-L1116 HydrophobicContact CE2-CD2 3.69Å; F1081-L1116 HydrophobicContact CE2-CG 4.1Å; F1081-L1116 HydrophobicContact CZ-CD1 4.48Å; F1081-L1116 HydrophobicContact CZ-CD2 3.67Å; F1081-L1116 HydrophobicContact CZ-CG 3.71Å
1082	V	63	Low	57.6	Low	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-48.2	173.3	173.5	0	0	0	0	110.7	W1078 S1080 V1084 T1085 R1086 L1115 D1146	W1078-V1082 HydrophobicContact CD2-CG2 4.03Å; W1078-V1082 HydrophobicContact CE3-CG2 4.47Å; W1078-V1082 HydrophobicContact CH2-CG2 3.96Å; W1078-V1082 HydrophobicContact CZ2-CG2 3.5Å; W1078-V1082 VanDerWaalsContact CZ2-CG2 3.5Å; W1078-V1082 HydrophobicContact CZ3-CG2 4.44Å; W1078-V1082 WeakPolarHBondContact O-CB 3.45Å; W1078-V1082 VanDerWaalsContact O-CG2 3.32Å; W1078-V1082 WeakPolarHBondContact O-CG2 3.47Å; W1078-V1082 PolarHBondContact O-N 2.61Å; S1080-V1082 VanDerWaalsContact C-N 3.32Å; S1080-V1082 PolarHBondContact O-N 3.29Å; V1082-V1084 PolarHBondContact O-N 3.11Å; V1082-T1085 PolarHBondContact O-N 2.91Å; V1082-R1086 HydrophobicContact CG1-CG 4.1Å; V1082-R1086 VanDerWaalsContact CG1-CZ 3.48Å; V1082-R1086 WeakPolarHBondContact O-CB 3.24Å; V1082-R1086 VanDerWaalsContact O-CG 3.24Å; V1082-R1086 WeakPolarHBondContact O-CG 3.5Å; V1082-R1086 PolarHBondContact O-N 3.3Å; V1082-L1115 HydrophobicContact CG2-CD1 4.11Å; V1082-D1146 HydrophobicContact CG1-CB 3.97Å; V1082-D1146 HydrophobicContact CG2-CB 4.14Å
1083	S	63.4	Low	57.6	Low	42 Å²	42	40.8 Å²	40.8	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-58.6	-45.6	177.8	175.7	0	0	0	0	112.4	R640 R1079 S1080 C1087	R640-S1083 PolarHBondContact NH1-OG 2.85Å; R640-S1083 VanDerWaalsContact NH1-OG 3.16Å; R1079-S1083 WeakPolarHBondContact O-CB 3.4Å; R1079-S1083 PolarHBondContact O-N 2.85Å; S1080-S1083 CarbonylContact O-C 3.59Å; S1080-S1083 WeakPolarHBondContact O-CB 3.42Å; S1080-S1083 PolarHBondContact O-N 3.06Å; S1080-S1083 VanDerWaalsContact O-N 3.13Å; S1083-C1087 VanDerWaalsContact O-CB 3.26Å; S1083-C1087 WeakPolarHBondContact O-CB 3.48Å; S1083-C1087 PolarHBondContact O-N 2.93Å; S1083-C1087 PolarHBondContact O-SG 3.29Å
1084	V	63.1	Low	57.5	Low	2 Å²	2	47 Å²	47	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-50	175.6	175.7	0	0	0	0	110.1	R640 L644 S1080 F1081 V1082 R1086 C1087 L1088	R640-V1084 HydrophobicContact CB-CG1 4.33Å; R640-V1084 HydrophobicContact CB-CG2 3.57Å; R640-V1084 HydrophobicContact CG-CG2 3.74Å; L644-V1084 HydrophobicContact CD1-CB 4.19Å; L644-V1084 HydrophobicContact CD1-CG1 4.02Å; L644-V1084 HydrophobicContact CD1-CG2 4.2Å; S1080-V1084 WeakPolarHBondContact O-CB 3.5Å; S1080-V1084 WeakPolarHBondContact O-CG2 3.37Å; S1080-V1084 PolarHBondContact O-N 2.92Å; F1081-V1084 PolarHBondContact O-N 3.01Å; V1082-V1084 PolarHBondContact O-N 3.11Å; V1084-R1086 PolarHBondContact O-N 2.95Å; V1084-C1087 PolarHBondContact O-N 2.85Å; V1084-L1088 HydrophobicContact CG1-CD1 3.84Å; V1084-L1088 HydrophobicContact CG1-CG 4.34Å; V1084-L1088 WeakPolarHBondContact O-CB 3.33Å; V1084-L1088 WeakPolarHBondContact O-CG 3.48Å; V1084-L1088 PolarHBondContact O-N 3.47Å
1085	T	64.3	Low	57.7	Low	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-50.5	178.8	-56.7	0	0	0	0	111	F1081 V1082 C1087 L1088 L1089 L1115 L1119 T1150	F1081-T1085 VanDerWaalsContact O-CB 3.28Å; F1081-T1085 WeakPolarHBondContact O-CB 3.44Å; F1081-T1085 PolarHBondContact O-N 3.07Å; F1081-T1085 PolarHBondContact O-OG1 3.2Å; V1082-T1085 PolarHBondContact O-N 2.91Å; T1085-C1087 PolarHBondContact O-N 3.07Å; T1085-L1088 WeakPolarHBondContact O-CB 3.42Å; T1085-L1088 PolarHBondContact O-N 2.94Å; T1085-L1089 HydrophobicContact CG2-CD1 4.17Å; T1085-L1089 VanDerWaalsContact O-CG 3.25Å; T1085-L1089 WeakPolarHBondContact O-CG 3.41Å; T1085-L1089 PolarHBondContact O-N 3.02Å; T1085-L1115 HydrophobicContact CG2-CD2 4.41Å; T1085-L1119 HydrophobicContact CG2-CD1 3.95Å; T1085-L1119 HydrophobicContact CG2-CD2 3.98Å; T1085-L1119 HydrophobicContact CG2-CG 4.08Å; T1085-T1150 HydrophobicContact CG2-CG2 3.42Å; T1085-T1150 VanDerWaalsContact CG2-CG2 3.42Å
1086	R	66.5	Low	57.7	Low	57 Å²	57	48.1 Å²	48.1	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-44.2	178.2	-71.1	-176.6	171.8	149.2	-10.5	112.4	V1082 V1084 L1089 R1090 D1146 S1149 T1150 L1153	V1082-R1086 HydrophobicContact CG1-CG 4.1Å; V1082-R1086 VanDerWaalsContact CG1-CZ 3.48Å; V1082-R1086 WeakPolarHBondContact O-CB 3.24Å; V1082-R1086 VanDerWaalsContact O-CG 3.24Å; V1082-R1086 WeakPolarHBondContact O-CG 3.5Å; V1082-R1086 PolarHBondContact O-N 3.3Å; V1084-R1086 PolarHBondContact O-N 2.95Å; R1086-L1089 PolarHBondContact O-N 3Å; R1086-R1090 WeakPolarHBondContact O-CG 3.44Å; R1086-R1090 PolarHBondContact O-N 2.86Å; R1086-D1146 IonicContact CZ-OD1 2.91Å; R1086-D1146 VanDerWaalsContact CZ-OD1 3.27Å; R1086-D1146 IonicContact NH1-OD1 3.65Å; R1086-D1146 PolarHBondContact NH1-OD1 3.23Å; R1086-D1146 VanDerWaalsContact NH2-CA 3.26Å; R1086-D1146 PolarHBondContact NH2-O 3.26Å; R1086-D1146 IonicContact NH2-OD1 3.48Å; R1086-D1146 PolarHBondContact NH2-OD1 3.37Å; R1086-S1149 PolarHBondContact NH2-OG 3.18Å; R1086-T1150 HydrophobicContact CG-CG2 3.91Å; R1086-T1150 WeakPolarHBondContact CG-OG1 3.18Å; R1086-T1150 PolarHBondContact NE-OG1 3.49Å; R1086-L1153 HydrophobicContact CB-CD1 3.69Å; R1086-L1153 HydrophobicContact CG-CD1 3.72Å
1087	C	61.7	Low	57.5	Low	25 Å²	25	51.5 Å²	51.5	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-39	177.3	-75	0	0	0	0	112.2	F616 S1083 V1084 T1085 L1089 R1090 G1091	F616-C1087 HydrophobicContact CD2-CB 3.14Å; F616-C1087 VanDerWaalsContact CD2-SG 3.59Å; F616-C1087 HydrophobicContact CE2-CB 3.24Å; F616-C1087 HydrophobicContact CG-CB 3.95Å; F616-C1087 HydrophobicContact CZ-CB 4.18Å; S1083-C1087 VanDerWaalsContact O-CB 3.26Å; S1083-C1087 WeakPolarHBondContact O-CB 3.48Å; S1083-C1087 PolarHBondContact O-N 2.93Å; S1083-C1087 PolarHBondContact O-SG 3.29Å; V1084-C1087 PolarHBondContact O-N 2.85Å; T1085-C1087 PolarHBondContact O-N 3.07Å; C1087-L1089 VanDerWaalsContact C-N 3.28Å; C1087-L1089 PolarHBondContact O-N 2.81Å; C1087-R1090 PolarHBondContact O-N 2.91Å; C1087-G1091 PolarHBondContact O-N 2.79Å
1088	L	59.6	Low	57.3	Low	12 Å²	12	54.4 Å²	54.4	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-39.6	173.2	-77.2	172.7	0	0	0	111.9	F616 F633 F637 V1084 T1085 M1099	F616-L1088 HydrophobicContact CZ-CD2 4.48Å; F633-L1088 HydrophobicContact CZ-CD2 3.9Å; F637-L1088 HydrophobicContact CD2-CD1 4.46Å; F637-L1088 HydrophobicContact CD2-CD2 3.61Å; F637-L1088 HydrophobicContact CD2-CG 4.46Å; F637-L1088 HydrophobicContact CE2-CD1 3.96Å; F637-L1088 HydrophobicContact CE2-CD2 3.67Å; F637-L1088 HydrophobicContact CE2-CG 4.38Å; V1084-L1088 HydrophobicContact CG1-CD1 3.84Å; V1084-L1088 HydrophobicContact CG1-CG 4.34Å; V1084-L1088 WeakPolarHBondContact O-CB 3.33Å; V1084-L1088 WeakPolarHBondContact O-CG 3.48Å; V1084-L1088 PolarHBondContact O-N 3.47Å; T1085-L1088 WeakPolarHBondContact O-CB 3.42Å; T1085-L1088 PolarHBondContact O-N 2.94Å; L1088-M1099 HydrophobicContact CB-SD 4Å; L1088-M1099 HydrophobicContact CD1-SD 3.91Å; L1088-M1099 HydrophobicContact CG-SD 4.4Å
1089	L	62.6	Low	56.9	Low	8 Å²	8	54.2 Å²	54.2	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-70.4	-33.9	175.6	-63.8	170.4	0	0	0	112.2	T1085 R1086 C1087 G1091 L1119 T1150 L1153 Y1154 C1157	T1085-L1089 HydrophobicContact CG2-CD1 4.17Å; T1085-L1089 VanDerWaalsContact O-CG 3.25Å; T1085-L1089 WeakPolarHBondContact O-CG 3.41Å; T1085-L1089 PolarHBondContact O-N 3.02Å; R1086-L1089 PolarHBondContact O-N 3Å; C1087-L1089 VanDerWaalsContact C-N 3.28Å; C1087-L1089 PolarHBondContact O-N 2.81Å; L1089-G1091 PolarHBondContact O-N 2.95Å; L1089-L1119 HydrophobicContact CD2-CD2 3.99Å; L1089-L1119 HydrophobicContact CG-CD2 4.43Å; L1089-T1150 HydrophobicContact CD1-CG2 3.65Å; L1089-T1150 WeakPolarHBondContact CD1-O 3.24Å; L1089-L1153 HydrophobicContact CB-CB 3.92Å; L1089-L1153 HydrophobicContact CD1-CB 3.97Å; L1089-Y1154 HydrophobicContact CD2-CD2 3.74Å; L1089-Y1154 HydrophobicContact CD2-CG 4.42Å; L1089-C1157 PolarHBondContact O-SG 3.03Å
1090	R	63.5	Low	56.3	Low	162 Å²	162	55.3 Å²	55.3	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-64.3	-39.1	175.7	-72.5	176	-176.6	-178.3	0.3	112.3	R1086 C1087 C1092 L1153	R1086-R1090 WeakPolarHBondContact O-CG 3.44Å; R1086-R1090 PolarHBondContact O-N 2.86Å; C1087-R1090 PolarHBondContact O-N 2.91Å; R1090-C1092 PolarHBondContact O-N 3.31Å; R1090-L1153 HydrophobicContact CG-CD2 4.31Å
1091	G	56.4	Low	55.6	Low	3 Å²	3	62 Å²	62	3%	0.031	31%	0.306	C	S	.	.	S	Bend	trans	-90.6	78.2	-175.9	0	0	0	0	0	115.5	C1087 L1089 R1095	C1087-G1091 PolarHBondContact O-N 2.79Å; L1089-G1091 PolarHBondContact O-N 2.95Å; G1091-R1095 WeakPolarHBondContact O-CD 3.07Å; G1091-R1095 PolarHBondContact O-NH1 2.75Å; G1091-R1095 VanDerWaalsContact O-NH1 3.15Å
1092	C	48	Very low	54.9	Low	94 Å²	94	63.8 Å²	63.8	64%	0.635	32%	0.315	S	S	*	.			trans	49.1	119	157	-75.5	0	0	0	0	122.5	R1090 N1094 R1095	R1090-C1092 PolarHBondContact O-N 3.31Å; C1092-N1094 PolarHBondContact O-N 2.73Å; C1092-R1095 PolarHBondContact O-N 3.29Å
1093	R	47.8	Very low	53.8	Low	172 Å²	172	75.1 Å²	75.1	65%	0.649	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	19.6	-55.3	147.4	-152.3	172.6	-179.5	-169.7	-7.5	121.5	R1095 S1160	R1093-R1095 PolarHBondContact O-N 3.03Å; R1093-S1160 VanDerWaalsContact CZ-OG 3.28Å; R1093-S1160 PolarHBondContact NE-OG 2.8Å; R1093-S1160 PolarHBondContact NH2-OG 3.01Å
1094	N	48.5	Very low	52.7	Low	141 Å²	141	77.3 Å²	77.3	75%	0.754	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-73.2	-9.7	-175.3	-75	-5.5	0	0	0	113.2	C1092 T1097	C1092-N1094 PolarHBondContact O-N 2.73Å; N1094-T1097 PolarHBondContact O-OG1 3.4Å
1095	R	52	Low	51.3	Low	42 Å²	42	79.3 Å²	79.3	16%	0.158	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-95.6	-10.1	-171.9	-61.6	-176.9	178.8	152.1	-12.7	115	F633 G1091 C1092 R1093 T1097 C1098 M1099	F633-R1095 VanDerWaalsContact CD2-CZ 3.49Å; F633-R1095 VanDerWaalsContact CE2-CZ 3.48Å; F633-R1095 VanDerWaalsContact CG-NH2 3.27Å; F633-R1095 VanDerWaalsContact CZ-CD 3.44Å; G1091-R1095 WeakPolarHBondContact O-CD 3.07Å; G1091-R1095 PolarHBondContact O-NH1 2.75Å; G1091-R1095 VanDerWaalsContact O-NH1 3.15Å; C1092-R1095 PolarHBondContact O-N 3.29Å; R1093-R1095 PolarHBondContact O-N 3.03Å; R1095-T1097 PolarHBondContact O-N 3.3Å; R1095-C1098 PolarHBondContact O-N 2.73Å; R1095-M1099 PolarHBondContact O-N 2.85Å
1096	L	48.5	Very low	49.9	Very low	46 Å²	46	81.3 Å²	81.3	24%	0.241	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-30.1	171.9	-86.9	152.3	0	0	0	112.3	M1099 R1100 Y1154	L1096-M1099 HydrophobicContact CB-CE 4.28Å; L1096-M1099 HydrophobicContact CD2-CE 3.55Å; L1096-M1099 HydrophobicContact CG-CE 3.76Å; L1096-M1099 PolarHBondContact O-N 3.08Å; L1096-R1100 PolarHBondContact O-N 3.07Å; L1096-Y1154 HydrophobicContact CD2-CE2 4.09Å
1097	T	49.5	Very low	48.6	Very low	86 Å²	86	83 Å²	83	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-68.7	-42	174.8	48.3	0	0	0	0	112.7	N1094 R1095 M1099 R1100	N1094-T1097 PolarHBondContact O-OG1 3.4Å; R1095-T1097 PolarHBondContact O-N 3.3Å; T1097-M1099 PolarHBondContact O-N 2.62Å; T1097-R1100 PolarHBondContact O-N 2.97Å
1098	C	48.7	Very low	47.8	Very low	78 Å²	78	82.7 Å²	82.7	53%	0.527	41%	0.409	S	S	.	.	H	α-helix	trans	-61.3	-31.4	174.4	-67.1	0	0	0	0	112.1	R1095	R1095-C1098 PolarHBondContact O-N 2.73Å
1099	M	50.3	Low	47.6	Very low	9 Å²	9	84.1 Å²	84.1	4%	0.044	42%	0.42	C	S	.	.	H	α-helix	trans	-74.2	-28.7	179	-64.5	-168.1	-67.2	0	0	113.3	L1088 R1095 L1096 T1097 N1101 L1102 L1119	L1088-M1099 HydrophobicContact CB-SD 4Å; L1088-M1099 HydrophobicContact CD1-SD 3.91Å; L1088-M1099 HydrophobicContact CG-SD 4.4Å; R1095-M1099 PolarHBondContact O-N 2.85Å; L1096-M1099 HydrophobicContact CB-CE 4.28Å; L1096-M1099 HydrophobicContact CD2-CE 3.55Å; L1096-M1099 HydrophobicContact CG-CE 3.76Å; L1096-M1099 PolarHBondContact O-N 3.08Å; T1097-M1099 PolarHBondContact O-N 2.62Å; M1099-N1101 PolarHBondContact O-N 2.81Å; M1099-L1102 HydrophobicContact CB-CD1 4.45Å; M1099-L1102 WeakPolarHBondContact O-CB 3.49Å; M1099-L1102 PolarHBondContact O-N 3.2Å; M1099-L1119 HydrophobicContact CE-CD2 3.9Å; M1099-L1119 HydrophobicContact SD-CD1 4.23Å; M1099-L1119 HydrophobicContact SD-CD2 3.69Å; M1099-L1119 HydrophobicContact SD-CG 4.39Å
1100	R	45.9	Very low	47.4	Very low	172 Å²	172	85.1 Å²	85.1	65%	0.649	43%	0.427	S	S	*	.	H	α-helix	trans	-61.3	-24.9	175.5	-77.7	-177.9	168.7	165	-1	113.3	L1096 T1097 L1102	L1096-R1100 PolarHBondContact O-N 3.07Å; T1097-R1100 PolarHBondContact O-N 2.97Å; R1100-L1102 VanDerWaalsContact C-N 3.34Å
1101	N	42	Very low	47.4	Very low	141 Å²	141	77.4 Å²	77.4	75%	0.754	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	8.1	-178.4	-67.8	-15.3	0	0	0	113.9	M1099 Y1103	M1099-N1101 PolarHBondContact O-N 2.81Å; N1101-Y1103 PolarHBondContact O-N 2.99Å
1102	L	47.6	Very low	47.9	Very low	45 Å²	45	79.1 Å²	79.1	24%	0.236	40%	0.404	C	S	.	.			trans	-68.4	105.8	174.7	-75.9	168.3	0	0	0	110.2	M641 M1099 R1100 I1104	M641-L1102 HydrophobicContact CE-CD2 3.15Å; M641-L1102 HydrophobicContact SD-CD2 3.75Å; M1099-L1102 HydrophobicContact CB-CD1 4.45Å; M1099-L1102 WeakPolarHBondContact O-CB 3.49Å; M1099-L1102 PolarHBondContact O-N 3.2Å; R1100-L1102 VanDerWaalsContact C-N 3.34Å; L1102-I1104 HydrophobicContact CB-CG1 4.42Å; L1102-I1104 PolarHBondContact O-N 2.88Å; L1102-I1104 VanDerWaalsContact O-N 3.09Å
1103	Y	39.1	Very low	48.7	Very low	239 Å²	239	78 Å²	78	94%	0.937	39%	0.391	S	S	*	.			trans	-70	99.9	170.8	-140	-91.8	0	0	0	108.5	N1101 G1105	N1101-Y1103 PolarHBondContact O-N 2.99Å; Y1103-G1105 PolarHBondContact O-N 2.86Å
1104	I	40.9	Very low	49.8	Very low	87 Å²	87	69.8 Å²	69.8	45%	0.446	36%	0.36	S	S	.	.			trans	-92.9	84.9	-179.8	-59.1	147.6	0	0	0	107.4	L1102 L1116	L1102-I1104 HydrophobicContact CB-CG1 4.42Å; L1102-I1104 PolarHBondContact O-N 2.88Å; L1102-I1104 VanDerWaalsContact O-N 3.09Å; I1104-L1116 HydrophobicContact CD1-CB 3.91Å; I1104-L1116 HydrophobicContact CD1-CD1 3.86Å; I1104-L1116 HydrophobicContact CD1-CD2 3.84Å; I1104-L1116 HydrophobicContact CD1-CG 4.07Å; I1104-L1116 HydrophobicContact CG1-CD1 4.05Å; I1104-L1116 HydrophobicContact CG1-CD2 4.22Å; I1104-L1116 HydrophobicContact CG2-CD1 3.76Å
1105	G	34.1	Very low	50.8	Low	44 Å²	44	63 Å²	63	45%	0.454	32%	0.324	S	S	.	.			trans	-74.3	127.9	158.8	0	0	0	0	0	108.3	Y1103	Y1103-G1105 PolarHBondContact O-N 2.86Å
1106	S	35.8	Very low	51.5	Low	44 Å²	44	61.7 Å²	61.7	31%	0.308	32%	0.32	S	S	.	.	S	Bend	trans	84.5	154.5	156.2	84.5	0	0	0	0	121.8	N652 C1108	N652-S1106 WeakPolarHBondContact ND2-CB 3.37Å; N652-S1106 PolarHBondContact ND2-OG 3.23Å; N652-S1106 WeakPolarHBondContact OD1-CB 3.47Å; N652-S1106 PolarHBondContact OD1-OG 3.13Å; S1106-C1108 PolarHBondContact O-N 3.4Å
1107	F	37.7	Very low	52.5	Low	94 Å²	94	60.9 Å²	60.9	41%	0.412	32%	0.316	S	S	.	.			trans	-41.6	108.5	-159	-127	-99.7	0	0	0	113.7	E665	E665-F1107 HydrophobicContact CG-CZ 4.27Å
1108	C	44.6	Very low	53.6	Low	17 Å²	17	56.8 Å²	56.8	12%	0.115	29%	0.291	C	S	.	.			trans	-88.8	130	172	-72.4	0	0	0	0	108.1	S1106 R1112 L1113 L1116	S1106-C1108 PolarHBondContact O-N 3.4Å; C1108-R1112 HydrophobicContact CB-CB 3.99Å; C1108-R1112 HydrophobicContact CB-CG 4.1Å; C1108-L1113 HydrophobicContact CB-CB 3.84Å; C1108-L1116 HydrophobicContact CB-CD1 4.47Å; C1108-L1116 WeakPolarHBondContact SG-CD1 3.16Å
1109	S	56	Low	54.5	Low	42 Å²	42	53.4 Å²	53.4	29%	0.294	27%	0.267	S	S	.	.			trans	-46.8	140.8	159.6	67	0	0	0	0	108.3	M1111 R1112 L1113	S1109-M1111 PolarHBondContact O-N 3.37Å; S1109-R1112 WeakPolarHBondContact O-CA 3.39Å; S1109-R1112 WeakPolarHBondContact O-CB 3.34Å; S1109-R1112 PolarHBondContact O-N 3.02Å; S1109-R1112 WeakPolarHBondContact OG-CB 3.25Å; S1109-R1112 PolarHBondContact OG-N 3.1Å; S1109-L1113 PolarHBondContact O-N 2.92Å
1110	P	59.2	Low	55.3	Low	29 Å²	29	55.4 Å²	55.4	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-53.1	-30.7	-174.5	-25.9	22.9	0	0	0	114	L1113 S1114 V1129 R1133	P1110-L1113 PolarHBondContact O-N 3.16Å; P1110-S1114 WeakPolarHBondContact O-CB 3.38Å; P1110-S1114 PolarHBondContact O-N 3.31Å; P1110-V1129 HydrophobicContact CB-CG1 3.78Å; P1110-V1129 VanDerWaalsContact O-CG1 3.25Å; P1110-V1129 WeakPolarHBondContact O-CG1 3.48Å; P1110-R1133 HydrophobicContact CB-CB 4.5Å; P1110-R1133 VanDerWaalsContact CD-NH1 3.28Å
1111	M	63.8	Low	56.4	Low	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-32.4	173.4	-69.5	-64.2	-179.2	0	0	113.5	W1078 S1109 S1114 L1115 L1130 R1133 V1134 C1139 L1144 V1147	W1078-M1111 HydrophobicContact CH2-CB 3.4Å; W1078-M1111 VanDerWaalsContact CH2-CB 3.4Å; W1078-M1111 HydrophobicContact CH2-CG 4.47Å; W1078-M1111 HydrophobicContact CZ2-CB 4.2Å; W1078-M1111 HydrophobicContact CZ3-CB 3.65Å; S1109-M1111 PolarHBondContact O-N 3.37Å; M1111-S1114 PolarHBondContact O-OG 3.36Å; M1111-L1115 WeakPolarHBondContact O-CG 3.34Å; M1111-L1115 PolarHBondContact O-N 2.98Å; M1111-L1130 HydrophobicContact CE-CD1 3.68Å; M1111-L1130 HydrophobicContact SD-CD1 3.34Å; M1111-L1130 WeakPolarHBondContact SD-CD1 3.23Å; M1111-R1133 HydrophobicContact CE-CG 4.15Å; M1111-V1134 HydrophobicContact CE-CG2 4.38Å; M1111-C1139 HydrophobicContact CE-CB 3.49Å; M1111-C1139 VanDerWaalsContact CE-CB 3.49Å; M1111-L1144 HydrophobicContact CE-CD1 4.2Å; M1111-V1147 HydrophobicContact CB-CG2 4.1Å; M1111-V1147 HydrophobicContact CG-CG2 4.4Å; M1111-V1147 HydrophobicContact SD-CB 4.4Å; M1111-V1147 HydrophobicContact SD-CG2 3.72Å
1112	R	65.2	Low	58.1	Low	39 Å²	39	42.9 Å²	42.9	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-76.3	-42.1	172.8	-174	178.8	-170.4	-172	-1.3	110.9	C648 W1078 F1081 C1108 S1109 S1114 L1115 L1116	C648-R1112 VanDerWaalsContact SG-CZ 3.52Å; C648-R1112 PolarHBondContact SG-NH1 2.99Å; C648-R1112 PolarHBondContact SG-NH2 2.81Å; W1078-R1112 HydrophobicContact CZ3-CB 4.17Å; F1081-R1112 HydrophobicContact CD1-CG 3.94Å; F1081-R1112 HydrophobicContact CD2-CG 4.26Å; F1081-R1112 HydrophobicContact CE1-CB 4.34Å; F1081-R1112 HydrophobicContact CE1-CG 3.68Å; F1081-R1112 HydrophobicContact CE2-CG 4.04Å; F1081-R1112 HydrophobicContact CG-CG 4.23Å; F1081-R1112 HydrophobicContact CZ-CG 3.76Å; C1108-R1112 HydrophobicContact CB-CB 3.99Å; C1108-R1112 HydrophobicContact CB-CG 4.1Å; S1109-R1112 WeakPolarHBondContact O-CA 3.39Å; S1109-R1112 WeakPolarHBondContact O-CB 3.34Å; S1109-R1112 PolarHBondContact O-N 3.02Å; S1109-R1112 WeakPolarHBondContact OG-CB 3.25Å; S1109-R1112 PolarHBondContact OG-N 3.1Å; R1112-S1114 VanDerWaalsContact C-N 3.29Å; R1112-S1114 PolarHBondContact O-N 3.26Å; R1112-L1115 PolarHBondContact O-N 3.17Å; R1112-L1116 HydrophobicContact CG-CD1 4.06Å; R1112-L1116 HydrophobicContact CG-CG 4.47Å; R1112-L1116 WeakPolarHBondContact O-CB 3.22Å; R1112-L1116 VanDerWaalsContact O-CG 3.29Å; R1112-L1116 WeakPolarHBondContact O-CG 3.12Å; R1112-L1116 PolarHBondContact O-N 3.02Å
1113	L	65.7	Low	59.7	Low	69 Å²	69	40.9 Å²	40.9	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-43.5	175.5	-178.6	62.6	0	0	0	110.3	C1108 S1109 P1110 L1115 L1116 L1117 V1129	C1108-L1113 HydrophobicContact CB-CB 3.84Å; S1109-L1113 PolarHBondContact O-N 2.92Å; P1110-L1113 PolarHBondContact O-N 3.16Å; L1113-L1115 PolarHBondContact O-N 2.52Å; L1113-L1116 PolarHBondContact O-N 2.86Å; L1113-L1117 HydrophobicContact CD1-CD1 4.24Å; L1113-L1117 HydrophobicContact CD1-CG 4.18Å; L1113-L1117 HydrophobicContact CG-CD1 3.89Å; L1113-L1117 HydrophobicContact CG-CG 4.29Å; L1113-L1117 WeakPolarHBondContact O-CB 3.38Å; L1113-L1117 VanDerWaalsContact O-CG 3.25Å; L1113-L1117 WeakPolarHBondContact O-CG 3.19Å; L1113-L1117 PolarHBondContact O-N 3.22Å; L1113-V1129 HydrophobicContact CB-CG1 4.46Å; L1113-V1129 HydrophobicContact CD2-CG1 4.27Å; L1113-V1129 HydrophobicContact CD2-CG2 4.17Å
1114	S	70.3	Confident	61.6	Low	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-46.5	177.8	83	0	0	0	0	111.3	P1110 M1111 R1112 L1117 L1118 S1126 Y1151	P1110-S1114 WeakPolarHBondContact O-CB 3.38Å; P1110-S1114 PolarHBondContact O-N 3.31Å; M1111-S1114 PolarHBondContact O-OG 3.36Å; R1112-S1114 VanDerWaalsContact C-N 3.29Å; R1112-S1114 PolarHBondContact O-N 3.26Å; S1114-L1117 PolarHBondContact O-N 3.42Å; S1114-L1118 WeakPolarHBondContact O-CB 3.48Å; S1114-L1118 PolarHBondContact O-N 2.93Å; S1114-S1126 WeakPolarHBondContact CB-O 3.45Å; S1114-S1126 WeakPolarHBondContact O-CB 3.5Å; S1114-S1126 PolarHBondContact O-OG 2.72Å; S1114-Y1151 VanDerWaalsContact CB-OH 3.26Å; S1114-Y1151 WeakPolarHBondContact CB-OH 3.44Å; S1114-Y1151 PolarHBondContact OG-OH 3.15Å
1115	L	70	Confident	63.4	Low	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-37.2	175.3	-76	175.1	0	0	0	113.1	W1078 F1081 V1082 T1085 M1111 R1112 L1113 L1118 L1119 V1147 T1150 Y1151	W1078-L1115 HydrophobicContact CH2-CD1 3.79Å; W1078-L1115 HydrophobicContact CZ3-CD1 4.35Å; F1081-L1115 HydrophobicContact CD1-CD1 4.01Å; F1081-L1115 HydrophobicContact CE1-CB 3.58Å; F1081-L1115 HydrophobicContact CE1-CD1 3.58Å; F1081-L1115 HydrophobicContact CE1-CG 4.23Å; F1081-L1115 HydrophobicContact CZ-CB 4.04Å; V1082-L1115 HydrophobicContact CG2-CD1 4.11Å; T1085-L1115 HydrophobicContact CG2-CD2 4.41Å; M1111-L1115 WeakPolarHBondContact O-CG 3.34Å; M1111-L1115 PolarHBondContact O-N 2.98Å; R1112-L1115 PolarHBondContact O-N 3.17Å; L1113-L1115 PolarHBondContact O-N 2.52Å; L1115-L1118 HydrophobicContact CD2-CD2 4.47Å; L1115-L1118 WeakPolarHBondContact O-CB 3.31Å; L1115-L1118 PolarHBondContact O-N 2.97Å; L1115-L1119 WeakPolarHBondContact O-CG 3.17Å; L1115-L1119 PolarHBondContact O-N 3.05Å; L1115-V1147 HydrophobicContact CD1-CG2 4.13Å; L1115-V1147 HydrophobicContact CD2-CG1 4.2Å; L1115-V1147 HydrophobicContact CG-CG1 4.31Å; L1115-V1147 HydrophobicContact CG-CG2 4.32Å; L1115-T1150 HydrophobicContact CD2-CG2 3.59Å; L1115-Y1151 HydrophobicContact CD2-CD2 3.92Å; L1115-Y1151 HydrophobicContact CD2-CE2 3.8Å; L1115-Y1151 HydrophobicContact CG-CE2 4.48Å
1116	L	67.7	Low	65.7	Low	13 Å²	13	34.2 Å²	34.2	7%	0.068	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-41	176.4	-71.2	170.9	0	0	0	112.4	F1081 I1104 C1108 R1112 L1113 L1118 L1119 S1120	F1081-L1116 HydrophobicContact CE2-CD2 3.69Å; F1081-L1116 HydrophobicContact CE2-CG 4.1Å; F1081-L1116 HydrophobicContact CZ-CD1 4.48Å; F1081-L1116 HydrophobicContact CZ-CD2 3.67Å; F1081-L1116 HydrophobicContact CZ-CG 3.71Å; I1104-L1116 HydrophobicContact CD1-CB 3.91Å; I1104-L1116 HydrophobicContact CD1-CD1 3.86Å; I1104-L1116 HydrophobicContact CD1-CD2 3.84Å; I1104-L1116 HydrophobicContact CD1-CG 4.07Å; I1104-L1116 HydrophobicContact CG1-CD1 4.05Å; I1104-L1116 HydrophobicContact CG1-CD2 4.22Å; I1104-L1116 HydrophobicContact CG2-CD1 3.76Å; C1108-L1116 HydrophobicContact CB-CD1 4.47Å; C1108-L1116 WeakPolarHBondContact SG-CD1 3.16Å; R1112-L1116 HydrophobicContact CG-CD1 4.06Å; R1112-L1116 HydrophobicContact CG-CG 4.47Å; R1112-L1116 WeakPolarHBondContact O-CB 3.22Å; R1112-L1116 VanDerWaalsContact O-CG 3.29Å; R1112-L1116 WeakPolarHBondContact O-CG 3.12Å; R1112-L1116 PolarHBondContact O-N 3.02Å; L1113-L1116 PolarHBondContact O-N 2.86Å; L1116-L1118 VanDerWaalsContact C-N 3.26Å; L1116-L1118 PolarHBondContact O-N 3.37Å; L1116-L1119 PolarHBondContact O-N 3.42Å; L1116-S1120 PolarHBondContact O-N 2.92Å
1117	L	69.6	Low	67.8	Low	30 Å²	30	32.4 Å²	32.4	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-35.7	171.9	-71	170.9	0	0	0	111.3	L1113 S1114 S1120 G1121 A1122 Q1125 V1129	L1113-L1117 HydrophobicContact CD1-CD1 4.24Å; L1113-L1117 HydrophobicContact CD1-CG 4.18Å; L1113-L1117 HydrophobicContact CG-CD1 3.89Å; L1113-L1117 HydrophobicContact CG-CG 4.29Å; L1113-L1117 WeakPolarHBondContact O-CB 3.38Å; L1113-L1117 VanDerWaalsContact O-CG 3.25Å; L1113-L1117 WeakPolarHBondContact O-CG 3.19Å; L1113-L1117 PolarHBondContact O-N 3.22Å; S1114-L1117 PolarHBondContact O-N 3.42Å; L1117-S1120 PolarHBondContact O-N 2.97Å; L1117-S1120 PolarHBondContact O-OG 3.45Å; L1117-G1121 PolarHBondContact O-N 3.08Å; L1117-A1122 HydrophobicContact CB-CB 4.35Å; L1117-A1122 HydrophobicContact CD2-CB 4.11Å; L1117-A1122 CarbonylContact O-C 3.51Å; L1117-A1122 WeakPolarHBondContact O-CA 3.15Å; L1117-A1122 PolarHBondContact O-N 2.87Å; L1117-Q1125 HydrophobicContact CD1-CB 4.06Å; L1117-V1129 HydrophobicContact CD1-CG2 3.9Å
1118	L	72.3	Confident	69.9	Low	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-48	172.9	-168	75.4	0	0	0	110.5	S1114 L1115 L1116 S1120 G1121 V1123 S1126 Y1151 Y1154 Y1168	S1114-L1118 WeakPolarHBondContact O-CB 3.48Å; S1114-L1118 PolarHBondContact O-N 2.93Å; L1115-L1118 HydrophobicContact CD2-CD2 4.47Å; L1115-L1118 WeakPolarHBondContact O-CB 3.31Å; L1115-L1118 PolarHBondContact O-N 2.97Å; L1116-L1118 VanDerWaalsContact C-N 3.26Å; L1116-L1118 PolarHBondContact O-N 3.37Å; L1118-S1120 VanDerWaalsContact C-N 3.34Å; L1118-S1120 PolarHBondContact O-N 3.4Å; L1118-G1121 PolarHBondContact O-N 3.08Å; L1118-V1123 HydrophobicContact CD1-CG1 4.28Å; L1118-S1126 WeakPolarHBondContact CB-OG 3.47Å; L1118-Y1151 HydrophobicContact CD1-CD1 4.13Å; L1118-Y1151 HydrophobicContact CD1-CE1 4.15Å; L1118-Y1151 HydrophobicContact CD1-CG 4.39Å; L1118-Y1151 HydrophobicContact CD2-CD1 4.43Å; L1118-Y1151 HydrophobicContact CD2-CD2 3.55Å; L1118-Y1151 HydrophobicContact CD2-CE2 3.87Å; L1118-Y1151 HydrophobicContact CD2-CG 3.88Å; L1118-Y1154 HydrophobicContact CD1-CD1 3.8Å; L1118-Y1154 HydrophobicContact CD1-CD2 4.48Å; L1118-Y1154 HydrophobicContact CD1-CE1 4.02Å; L1118-Y1154 HydrophobicContact CD1-CG 4.05Å; L1118-Y1154 HydrophobicContact CD2-CD1 4.35Å; L1118-Y1154 HydrophobicContact CD2-CD2 4.03Å; L1118-Y1154 HydrophobicContact CD2-CG 3.77Å; L1118-Y1154 HydrophobicContact CG-CD1 3.99Å; L1118-Y1154 HydrophobicContact CG-CD2 3.77Å; L1118-Y1154 HydrophobicContact CG-CE1 4.3Å; L1118-Y1154 HydrophobicContact CG-CE2 4.1Å; L1118-Y1154 HydrophobicContact CG-CG 3.72Å; L1118-Y1154 WeakPolarHBondContact O-CE2 3.39Å; L1118-Y1154 PolarHBondContact O-OH 3Å; L1118-Y1168 HydrophobicContact CD1-CD2 4.48Å
1119	L	67.5	Low	71.5	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-30.8	179.7	-70.3	-176.8	0	0	0	113.7	T1085 L1089 M1099 L1115 L1116 G1121	T1085-L1119 HydrophobicContact CG2-CD1 3.95Å; T1085-L1119 HydrophobicContact CG2-CD2 3.98Å; T1085-L1119 HydrophobicContact CG2-CG 4.08Å; L1089-L1119 HydrophobicContact CD2-CD2 3.99Å; L1089-L1119 HydrophobicContact CG-CD2 4.43Å; M1099-L1119 HydrophobicContact CE-CD2 3.9Å; M1099-L1119 HydrophobicContact SD-CD1 4.23Å; M1099-L1119 HydrophobicContact SD-CD2 3.69Å; M1099-L1119 HydrophobicContact SD-CG 4.39Å; L1115-L1119 WeakPolarHBondContact O-CG 3.17Å; L1115-L1119 PolarHBondContact O-N 3.05Å; L1116-L1119 PolarHBondContact O-N 3.42Å; L1119-G1121 PolarHBondContact O-N 3.15Å
1120	S	67.1	Low	72.6	Confident	52 Å²	52	31.7 Å²	31.7	36%	0.364	17%	0.169	S	C	.	.	H	α-helix	trans	-74.2	-16	175.7	72.2	0	0	0	0	113.2	L1116 L1117 L1118	L1116-S1120 PolarHBondContact O-N 2.92Å; L1117-S1120 PolarHBondContact O-N 2.97Å; L1117-S1120 PolarHBondContact O-OG 3.45Å; L1118-S1120 VanDerWaalsContact C-N 3.34Å; L1118-S1120 PolarHBondContact O-N 3.4Å
1121	G	69	Low	73.5	Confident	24 Å²	24	33.2 Å²	33.2	25%	0.247	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	1.9	-174.9	0	0	0	0	0	114.1	L1117 L1118 L1119 V1123	L1117-G1121 PolarHBondContact O-N 3.08Å; L1118-G1121 PolarHBondContact O-N 3.08Å; L1119-G1121 PolarHBondContact O-N 3.15Å; G1121-V1123 PolarHBondContact O-N 3.2Å
1122	A	77.9	Confident	74.2	Confident	25 Å²	25	37.4 Å²	37.4	21%	0.207	19%	0.192	C	C	.	.			trans	-80.3	59.1	175.8	0	0	0	0	0	111.8	L1117 K1124 Q1125 S1126	L1117-A1122 HydrophobicContact CB-CB 4.35Å; L1117-A1122 HydrophobicContact CD2-CB 4.11Å; L1117-A1122 CarbonylContact O-C 3.51Å; L1117-A1122 WeakPolarHBondContact O-CA 3.15Å; L1117-A1122 PolarHBondContact O-N 2.87Å; A1122-K1124 PolarHBondContact O-N 3.32Å; A1122-Q1125 HydrophobicContact CB-CB 4.34Å; A1122-Q1125 PolarHBondContact O-N 2.79Å; A1122-S1126 WeakPolarHBondContact O-CB 3.43Å; A1122-S1126 PolarHBondContact O-N 3.23Å
1123	V	79.5	Confident	74.4	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-42.1	-170.5	-174.3	0	0	0	0	112.9	L1118 G1121 Q1125 S1126 F1127 Y1154 L1164 Y1168	L1118-V1123 HydrophobicContact CD1-CG1 4.28Å; G1121-V1123 PolarHBondContact O-N 3.2Å; V1123-Q1125 PolarHBondContact O-N 3.16Å; V1123-S1126 WeakPolarHBondContact O-CB 3.38Å; V1123-S1126 PolarHBondContact O-N 2.85Å; V1123-F1127 HydrophobicContact CG1-CD2 3.83Å; V1123-F1127 HydrophobicContact CG1-CE2 3.85Å; V1123-F1127 WeakPolarHBondContact O-CD2 3.31Å; V1123-F1127 PolarHBondContact O-N 2.85Å; V1123-F1127 VanDerWaalsContact O-N 3.09Å; V1123-Y1154 HydrophobicContact CG2-CE1 3.86Å; V1123-L1164 HydrophobicContact CG2-CD2 4.2Å; V1123-Y1168 HydrophobicContact CG1-CD2 4.02Å; V1123-Y1168 HydrophobicContact CG1-CG 4.4Å
1124	K	79.6	Confident	74.7	Confident	119 Å²	119	33.6 Å²	33.6	52%	0.517	17%	0.173	S	C	.	.	H	α-helix	trans	-62.3	-45.4	179.3	-67.2	-171.1	175.8	-165.4	0	112.3	A1122 F1127 Q1128 E1170 S1171	A1122-K1124 PolarHBondContact O-N 3.32Å; K1124-F1127 PolarHBondContact O-N 2.96Å; K1124-Q1128 PolarHBondContact O-N 3.18Å; K1124-E1170 WeakPolarHBondContact CE-OE2 3.34Å; K1124-E1170 IonicContact NZ-OE2 3.62Å; K1124-E1170 PolarHBondContact NZ-OE2 2.76Å; K1124-S1171 WeakPolarHBondContact CG-OG 3.47Å
1125	Q	79.3	Confident	74.7	Confident	111 Å²	111	38 Å²	38	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-67.1	-38.9	178.5	-65.4	176.7	-11	0	0	111.5	L1117 A1122 V1123 Q1128 V1129	L1117-Q1125 HydrophobicContact CD1-CB 4.06Å; A1122-Q1125 HydrophobicContact CB-CB 4.34Å; A1122-Q1125 PolarHBondContact O-N 2.79Å; V1123-Q1125 PolarHBondContact O-N 3.16Å; Q1125-Q1128 PolarHBondContact O-N 3.16Å; Q1125-V1129 WeakPolarHBondContact O-CG2 3.43Å; Q1125-V1129 PolarHBondContact O-N 2.92Å
1126	S	81.2	Confident	74.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-52.4	175.1	174.1	0	0	0	0	111.9	S1114 L1118 A1122 V1123 Q1128 V1129 L1130 Y1151	S1114-S1126 WeakPolarHBondContact CB-O 3.45Å; S1114-S1126 WeakPolarHBondContact O-CB 3.5Å; S1114-S1126 PolarHBondContact O-OG 2.72Å; L1118-S1126 WeakPolarHBondContact CB-OG 3.47Å; A1122-S1126 WeakPolarHBondContact O-CB 3.43Å; A1122-S1126 PolarHBondContact O-N 3.23Å; V1123-S1126 WeakPolarHBondContact O-CB 3.38Å; V1123-S1126 PolarHBondContact O-N 2.85Å; S1126-Q1128 VanDerWaalsContact C-N 3.34Å; S1126-Q1128 PolarHBondContact O-N 2.65Å; S1126-V1129 PolarHBondContact O-N 2.83Å; S1126-L1130 PolarHBondContact O-N 3.36Å; S1126-L1130 VanDerWaalsContact O-N 3.13Å; S1126-Y1151 PolarHBondContact O-OH 3.09Å; S1126-Y1151 VanDerWaalsContact OG-CZ 3.26Å; S1126-Y1151 PolarHBondContact OG-OH 3.31Å
1127	F	81.8	Confident	74.1	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-32.5	175.8	-87.1	-81.1	0	0	0	113.3	V1123 K1124 L1130 K1131 Y1151 Y1168 L1172 F1175	V1123-F1127 HydrophobicContact CG1-CD2 3.83Å; V1123-F1127 HydrophobicContact CG1-CE2 3.85Å; V1123-F1127 WeakPolarHBondContact O-CD2 3.31Å; V1123-F1127 PolarHBondContact O-N 2.85Å; V1123-F1127 VanDerWaalsContact O-N 3.09Å; K1124-F1127 PolarHBondContact O-N 2.96Å; F1127-L1130 PolarHBondContact O-N 2.95Å; F1127-K1131 WeakPolarHBondContact O-CB 3.36Å; F1127-K1131 PolarHBondContact O-N 3.08Å; F1127-Y1151 HydrophobicContact CD1-CD1 4.34Å; F1127-Y1151 AromaticContact CD1-CE1 3.9Å; F1127-Y1151 HydrophobicContact CD1-CE1 3.9Å; F1127-Y1151 HydrophobicContact CD2-CD1 4.26Å; F1127-Y1151 AromaticContact CD2-CE1 3.81Å; F1127-Y1151 HydrophobicContact CD2-CE1 3.81Å; F1127-Y1151 AromaticContact CE1-CD1 3.74Å; F1127-Y1151 HydrophobicContact CE1-CD1 3.74Å; F1127-Y1151 AromaticContact CE1-CE1 3.78Å; F1127-Y1151 HydrophobicContact CE1-CE1 3.78Å; F1127-Y1151 AromaticContact CE2-CD1 3.66Å; F1127-Y1151 HydrophobicContact CE2-CD1 3.66Å; F1127-Y1151 AromaticContact CE2-CE1 3.7Å; F1127-Y1151 HydrophobicContact CE2-CE1 3.7Å; F1127-Y1151 AromaticContact CG-CE1 3.95Å; F1127-Y1151 HydrophobicContact CG-CE1 3.95Å; F1127-Y1151 AromaticContact CZ-CD1 3.39Å; F1127-Y1151 HydrophobicContact CZ-CD1 3.39Å; F1127-Y1151 AromaticContact CZ-CE1 3.72Å; F1127-Y1151 HydrophobicContact CZ-CE1 3.72Å; F1127-Y1168 AromaticContact CE2-CD2 3.85Å; F1127-Y1168 HydrophobicContact CE2-CD2 3.85Å; F1127-Y1168 AromaticContact CE2-CE2 3.92Å; F1127-Y1168 HydrophobicContact CE2-CE2 3.92Å; F1127-Y1168 HydrophobicContact CE2-CG 4.36Å; F1127-Y1168 HydrophobicContact CZ-CD2 4.29Å; F1127-Y1168 AromaticContact CZ-CE2 3.96Å; F1127-Y1168 HydrophobicContact CZ-CE2 3.96Å; F1127-L1172 HydrophobicContact CE1-CB 4.07Å; F1127-L1172 HydrophobicContact CE1-CD1 3.75Å; F1127-L1172 HydrophobicContact CZ-CB 3.77Å; F1127-L1172 HydrophobicContact CZ-CD1 3.94Å; F1127-L1172 HydrophobicContact CZ-CG 4.46Å; F1127-F1175 HydrophobicContact CD1-CB 3.59Å; F1127-F1175 HydrophobicContact CD1-CD2 4.33Å; F1127-F1175 AromaticContact CD1-CG 3.9Å; F1127-F1175 HydrophobicContact CD1-CG 3.9Å; F1127-F1175 HydrophobicContact CE1-CB 4.05Å; F1127-F1175 HydrophobicContact CE1-CD1 4.46Å; F1127-F1175 HydrophobicContact CE1-CG 4.26Å
1128	Q	81.4	Confident	73.5	Confident	110 Å²	110	51.1 Å²	51.1	51%	0.514	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176.2	-174.8	177.2	-12.2	0	0	111.7	K1124 Q1125 S1126 L1130 K1131 E1132	K1124-Q1128 PolarHBondContact O-N 3.18Å; Q1125-Q1128 PolarHBondContact O-N 3.16Å; S1126-Q1128 VanDerWaalsContact C-N 3.34Å; S1126-Q1128 PolarHBondContact O-N 2.65Å; Q1128-L1130 VanDerWaalsContact C-N 3.28Å; Q1128-L1130 PolarHBondContact O-N 3.07Å; Q1128-K1131 WeakPolarHBondContact O-CB 3.14Å; Q1128-K1131 PolarHBondContact O-N 2.81Å; Q1128-E1132 PolarHBondContact NE2-OE1 2.95Å; Q1128-E1132 WeakPolarHBondContact O-CG 3.39Å; Q1128-E1132 PolarHBondContact O-N 2.89Å
1129	V	77.8	Confident	72.8	Confident	29 Å²	29	52 Å²	52	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-40.3	175.9	174.9	0	0	0	0	111	P1110 L1113 L1117 Q1125 S1126 R1133	P1110-V1129 HydrophobicContact CB-CG1 3.78Å; P1110-V1129 VanDerWaalsContact O-CG1 3.25Å; P1110-V1129 WeakPolarHBondContact O-CG1 3.48Å; L1113-V1129 HydrophobicContact CB-CG1 4.46Å; L1113-V1129 HydrophobicContact CD2-CG1 4.27Å; L1113-V1129 HydrophobicContact CD2-CG2 4.17Å; L1117-V1129 HydrophobicContact CD1-CG2 3.9Å; Q1125-V1129 WeakPolarHBondContact O-CG2 3.43Å; Q1125-V1129 PolarHBondContact O-N 2.92Å; S1126-V1129 PolarHBondContact O-N 2.83Å; V1129-R1133 PolarHBondContact O-N 2.78Å
1130	L	79.8	Confident	72.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-46.6	175.8	-174	63.8	0	0	0	111.7	M1111 S1126 F1127 Q1128 R1133 V1134 L1144 V1147 L1148 Y1151 F1175	M1111-L1130 HydrophobicContact CE-CD1 3.68Å; M1111-L1130 HydrophobicContact SD-CD1 3.34Å; M1111-L1130 WeakPolarHBondContact SD-CD1 3.23Å; S1126-L1130 PolarHBondContact O-N 3.36Å; S1126-L1130 VanDerWaalsContact O-N 3.13Å; F1127-L1130 PolarHBondContact O-N 2.95Å; Q1128-L1130 VanDerWaalsContact C-N 3.28Å; Q1128-L1130 PolarHBondContact O-N 3.07Å; L1130-R1133 PolarHBondContact O-N 3.09Å; L1130-V1134 HydrophobicContact CD1-CG2 4.24Å; L1130-V1134 HydrophobicContact CG-CG2 4.37Å; L1130-V1134 WeakPolarHBondContact O-CB 3.26Å; L1130-V1134 VanDerWaalsContact O-CG2 3.27Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.44Å; L1130-V1134 PolarHBondContact O-N 3.27Å; L1130-L1144 HydrophobicContact CD1-CD1 4.1Å; L1130-V1147 HydrophobicContact CD1-CG1 4Å; L1130-V1147 HydrophobicContact CD2-CG1 4.18Å; L1130-L1148 HydrophobicContact CD2-CD2 3.82Å; L1130-Y1151 HydrophobicContact CD2-CE1 4.08Å; L1130-F1175 HydrophobicContact CB-CE2 4.33Å; L1130-F1175 HydrophobicContact CD2-CD2 4.3Å; L1130-F1175 HydrophobicContact CD2-CE2 3.83Å; L1130-F1175 HydrophobicContact CD2-CZ 3.95Å; L1130-F1175 HydrophobicContact CG-CD2 4.32Å; L1130-F1175 HydrophobicContact CG-CE2 3.65Å; L1130-F1175 HydrophobicContact CG-CZ 4.1Å
1131	K	78.1	Confident	72.3	Confident	60 Å²	60	56 Å²	56	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-50.5	177.7	177.1	171.1	171.4	163	0	111.3	F1127 Q1128 R1133 V1134 L1135 F1175 A1178	F1127-K1131 WeakPolarHBondContact O-CB 3.36Å; F1127-K1131 PolarHBondContact O-N 3.08Å; Q1128-K1131 WeakPolarHBondContact O-CB 3.14Å; Q1128-K1131 PolarHBondContact O-N 2.81Å; K1131-R1133 VanDerWaalsContact C-N 3.31Å; K1131-R1133 PolarHBondContact O-N 3.01Å; K1131-V1134 PolarHBondContact O-N 3.28Å; K1131-L1135 HydrophobicContact CG-CD1 3.8Å; K1131-L1135 HydrophobicContact CG-CG 4.41Å; K1131-L1135 WeakPolarHBondContact O-CB 3.35Å; K1131-L1135 VanDerWaalsContact O-CG 3.24Å; K1131-L1135 WeakPolarHBondContact O-CG 3.41Å; K1131-L1135 PolarHBondContact O-N 3.26Å; K1131-F1175 HydrophobicContact CB-CD2 4.02Å; K1131-A1178 HydrophobicContact CD-CB 3.94Å; K1131-A1178 HydrophobicContact CG-CB 4.29Å
1132	E	76.7	Confident	71.8	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-58.6	-41.5	179.8	-74.6	175.3	-164.2	0	0	112	Q1128 R1136	Q1128-E1132 PolarHBondContact NE2-OE1 2.95Å; Q1128-E1132 WeakPolarHBondContact O-CG 3.39Å; Q1128-E1132 PolarHBondContact O-N 2.89Å; E1132-R1136 WeakPolarHBondContact O-CG 3.21Å; E1132-R1136 PolarHBondContact O-N 3.13Å
1133	R	70.8	Confident	71.1	Confident	27 Å²	27	59.2 Å²	59.2	10%	0.102	30%	0.297	C	S	.	.	H	α-helix	trans	-72.3	-41.8	178.9	-176.5	162.7	178.4	167.8	4.7	113.5	P1110 M1111 V1129 L1130 K1131 L1135 R1136 A1137 D1138	P1110-R1133 HydrophobicContact CB-CB 4.5Å; P1110-R1133 VanDerWaalsContact CD-NH1 3.28Å; M1111-R1133 HydrophobicContact CE-CG 4.15Å; V1129-R1133 PolarHBondContact O-N 2.78Å; L1130-R1133 PolarHBondContact O-N 3.09Å; K1131-R1133 VanDerWaalsContact C-N 3.31Å; K1131-R1133 PolarHBondContact O-N 3.01Å; R1133-L1135 VanDerWaalsContact C-N 3.33Å; R1133-R1136 PolarHBondContact O-N 3.42Å; R1133-A1137 PolarHBondContact O-N 3.06Å; R1133-D1138 PolarHBondContact NE-O 2.93Å; R1133-D1138 PolarHBondContact NH2-O 3.21Å
1134	V	71.1	Confident	70.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-39.2	179	171.2	0	0	0	0	110.8	M1111 L1130 K1131 R1136 A1137 L1144 F1175 C1179 V1182 V1185	M1111-V1134 HydrophobicContact CE-CG2 4.38Å; L1130-V1134 HydrophobicContact CD1-CG2 4.24Å; L1130-V1134 HydrophobicContact CG-CG2 4.37Å; L1130-V1134 WeakPolarHBondContact O-CB 3.26Å; L1130-V1134 VanDerWaalsContact O-CG2 3.27Å; L1130-V1134 WeakPolarHBondContact O-CG2 3.44Å; L1130-V1134 PolarHBondContact O-N 3.27Å; K1131-V1134 PolarHBondContact O-N 3.28Å; V1134-R1136 VanDerWaalsContact C-N 3.27Å; V1134-R1136 PolarHBondContact O-N 3.48Å; V1134-A1137 PolarHBondContact O-N 3.25Å; V1134-L1144 HydrophobicContact CG2-CD1 3.58Å; V1134-F1175 HydrophobicContact CB-CE2 4.29Å; V1134-F1175 HydrophobicContact CG1-CZ 4.49Å; V1134-F1175 HydrophobicContact CG2-CE2 4.07Å; V1134-F1175 HydrophobicContact CG2-CZ 4.12Å; V1134-C1179 HydrophobicContact CG1-CB 3.81Å; V1134-V1182 HydrophobicContact CG1-CB 4.13Å; V1134-V1182 HydrophobicContact CG1-CG1 4.13Å; V1134-V1182 HydrophobicContact CG1-CG2 4.07Å; V1134-V1185 HydrophobicContact CG1-CG2 3.49Å; V1134-V1185 VanDerWaalsContact CG1-CG2 3.49Å
1135	L	71.6	Confident	69.7	Low	92 Å²	92	54.9 Å²	54.9	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-29.4	174.7	-72.5	173	0	0	0	113.2	K1131 R1133 A1137 A1178	K1131-L1135 HydrophobicContact CG-CD1 3.8Å; K1131-L1135 HydrophobicContact CG-CG 4.41Å; K1131-L1135 WeakPolarHBondContact O-CB 3.35Å; K1131-L1135 VanDerWaalsContact O-CG 3.24Å; K1131-L1135 WeakPolarHBondContact O-CG 3.41Å; K1131-L1135 PolarHBondContact O-N 3.26Å; R1133-L1135 VanDerWaalsContact C-N 3.33Å; L1135-A1137 PolarHBondContact O-N 2.83Å; L1135-A1178 WeakPolarHBondContact CD2-O 3.21Å
1136	R	67.6	Low	69.1	Low	158 Å²	158	51 Å²	51	60%	0.596	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.2	173.2	-69.1	177.6	-172.1	-179.2	4.7	113.9	E1132 R1133 V1134 D1138	E1132-R1136 WeakPolarHBondContact O-CG 3.21Å; E1132-R1136 PolarHBondContact O-N 3.13Å; R1133-R1136 PolarHBondContact O-N 3.42Å; V1134-R1136 VanDerWaalsContact C-N 3.27Å; V1134-R1136 PolarHBondContact O-N 3.48Å; R1136-D1138 HydrophobicContact CB-CB 4.36Å; R1136-D1138 WeakPolarHBondContact CB-OD2 3.36Å; R1136-D1138 PolarHBondContact O-N 3.25Å
1137	A	56.9	Low	68.6	Low	72 Å²	72	51 Å²	51	60%	0.595	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.5	-171.9	0	0	0	0	0	115.1	R1133 V1134 L1135 C1139	R1133-A1137 PolarHBondContact O-N 3.06Å; V1134-A1137 PolarHBondContact O-N 3.25Å; L1135-A1137 PolarHBondContact O-N 2.83Å; A1137-C1139 PolarHBondContact O-N 3.27Å; A1137-C1139 VanDerWaalsContact O-N 3.16Å
1138	D	56.1	Low	68.1	Low	90 Å²	90	51.2 Å²	51.2	48%	0.481	27%	0.265	S	S	.	.			trans	-87.8	38	-178.8	-65.2	-32.9	0	0	0	112.8	R1133 R1136	R1133-D1138 PolarHBondContact NE-O 2.93Å; R1133-D1138 PolarHBondContact NH2-O 3.21Å; R1136-D1138 HydrophobicContact CB-CB 4.36Å; R1136-D1138 WeakPolarHBondContact CB-OD2 3.36Å; R1136-D1138 PolarHBondContact O-N 3.25Å
1139	C	58.8	Low	67.4	Low	18 Å²	18	46.5 Å²	46.5	12%	0.122	24%	0.244	C	C	.	.	S	Bend	trans	-137.4	135.5	-179.7	63.3	0	0	0	0	113.2	M1111 A1137	M1111-C1139 HydrophobicContact CE-CB 3.49Å; M1111-C1139 VanDerWaalsContact CE-CB 3.49Å; A1137-C1139 PolarHBondContact O-N 3.27Å; A1137-C1139 VanDerWaalsContact O-N 3.16Å
1140	N	61.8	Low	67.1	Low	86 Å²	86	45.1 Å²	45.1	46%	0.46	24%	0.235	S	C	.	.			trans	-70.5	139.6	168.4	-177.1	-8.5	0	0	0	110	D1142 Q1143 L1144	N1140-D1142 PolarHBondContact O-N 3.11Å; N1140-D1142 PolarHBondContact OD1-N 3.26Å; N1140-Q1143 HydrophobicContact CB-CG 4.29Å; N1140-Q1143 PolarHBondContact O-N 3.31Å; N1140-Q1143 VanDerWaalsContact O-N 3.08Å; N1140-L1144 PolarHBondContact O-N 3.37Å
1141	V	60.7	Low	66.9	Low	57 Å²	57	45.1 Å²	45.1	35%	0.345	24%	0.236	S	C	.	.	H	α-helix	trans	-50	-40.3	172.6	-178.9	0	0	0	0	111.2	L1144 T1145 C1184	V1141-L1144 PolarHBondContact O-N 3.26Å; V1141-T1145 VanDerWaalsContact O-CB 3.23Å; V1141-T1145 WeakPolarHBondContact O-CB 3.49Å; V1141-T1145 PolarHBondContact O-N 2.82Å; V1141-T1145 PolarHBondContact O-OG1 2.88Å; V1141-C1184 HydrophobicContact CG2-CB 3.86Å
1142	D	59.4	Low	66.4	Low	93 Å²	93	44.1 Å²	44.1	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-44.8	178.5	-71.5	-23	0	0	0	112.3	N1140 T1145 D1146	N1140-D1142 PolarHBondContact O-N 3.11Å; N1140-D1142 PolarHBondContact OD1-N 3.26Å; D1142-T1145 PolarHBondContact O-N 2.96Å; D1142-D1146 WeakPolarHBondContact O-CB 3.05Å; D1142-D1146 PolarHBondContact O-N 2.71Å
1143	Q	62.3	Low	66.1	Low	22 Å²	22	41.6 Å²	41.6	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-43.4	178.6	-71.1	179.6	-11.6	0	0	111	W1078 N1140 D1146 V1147	W1078-Q1143 HydrophobicContact CZ2-CB 4.32Å; N1140-Q1143 HydrophobicContact CB-CG 4.29Å; N1140-Q1143 PolarHBondContact O-N 3.31Å; N1140-Q1143 VanDerWaalsContact O-N 3.08Å; Q1143-D1146 WeakPolarHBondContact O-CB 3.37Å; Q1143-D1146 PolarHBondContact O-N 3.16Å; Q1143-V1147 WeakPolarHBondContact O-CG2 3.28Å; Q1143-V1147 PolarHBondContact O-N 3.43Å
1144	L	66.7	Low	66.2	Low	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-45.4	178.1	-177.2	66	0	0	0	111.1	M1111 L1130 V1134 N1140 V1141 D1146 V1147 L1148 C1184 V1185	M1111-L1144 HydrophobicContact CE-CD1 4.2Å; L1130-L1144 HydrophobicContact CD1-CD1 4.1Å; V1134-L1144 HydrophobicContact CG2-CD1 3.58Å; N1140-L1144 PolarHBondContact O-N 3.37Å; V1141-L1144 PolarHBondContact O-N 3.26Å; L1144-D1146 PolarHBondContact O-N 3.33Å; L1144-V1147 PolarHBondContact O-N 3.1Å; L1144-L1148 HydrophobicContact CD1-CD1 3.91Å; L1144-L1148 HydrophobicContact CD1-CG 4.08Å; L1144-L1148 HydrophobicContact CD2-CD1 4.35Å; L1144-L1148 HydrophobicContact CG-CD1 3.78Å; L1144-L1148 HydrophobicContact CG-CG 4.3Å; L1144-L1148 WeakPolarHBondContact O-CB 3.42Å; L1144-L1148 WeakPolarHBondContact O-CG 3.29Å; L1144-L1148 PolarHBondContact O-N 3.39Å; L1144-C1184 HydrophobicContact CD2-CB 3.89Å; L1144-C1184 VanDerWaalsContact CD2-SG 3.57Å; L1144-V1185 HydrophobicContact CD2-CG2 3.81Å
1145	T	64	Low	66.1	Low	31 Å²	31	40.6 Å²	40.6	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-42.3	173.9	-59.1	0	0	0	0	110.6	V1141 D1142 S1149 F1188 H1192	V1141-T1145 VanDerWaalsContact O-CB 3.23Å; V1141-T1145 WeakPolarHBondContact O-CB 3.49Å; V1141-T1145 PolarHBondContact O-N 2.82Å; V1141-T1145 PolarHBondContact O-OG1 2.88Å; D1142-T1145 PolarHBondContact O-N 2.96Å; T1145-S1149 WeakPolarHBondContact O-CB 3.43Å; T1145-S1149 PolarHBondContact O-N 3.16Å; T1145-S1149 VanDerWaalsContact O-N 3.11Å; T1145-S1149 PolarHBondContact O-OG 3Å; T1145-F1188 HydrophobicContact CG2-CD2 4.07Å; T1145-F1188 HydrophobicContact CG2-CE2 4.15Å; T1145-H1192 WeakPolarHBondContact CG2-NE2 3.46Å
1146	D	65.9	Low	65.7	Low	30 Å²	30	38.5 Å²	38.5	16%	0.16	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-44.6	177.6	-91.2	-22.3	0	0	0	113.4	W1078 V1082 R1086 D1142 Q1143 L1144 S1149 T1150	W1078-D1146 HydrophobicContact CZ2-CB 4.37Å; V1082-D1146 HydrophobicContact CG1-CB 3.97Å; V1082-D1146 HydrophobicContact CG2-CB 4.14Å; R1086-D1146 IonicContact CZ-OD1 2.91Å; R1086-D1146 VanDerWaalsContact CZ-OD1 3.27Å; R1086-D1146 IonicContact NH1-OD1 3.65Å; R1086-D1146 PolarHBondContact NH1-OD1 3.23Å; R1086-D1146 VanDerWaalsContact NH2-CA 3.26Å; R1086-D1146 PolarHBondContact NH2-O 3.26Å; R1086-D1146 IonicContact NH2-OD1 3.48Å; R1086-D1146 PolarHBondContact NH2-OD1 3.37Å; D1142-D1146 WeakPolarHBondContact O-CB 3.05Å; D1142-D1146 PolarHBondContact O-N 2.71Å; Q1143-D1146 WeakPolarHBondContact O-CB 3.37Å; Q1143-D1146 PolarHBondContact O-N 3.16Å; L1144-D1146 PolarHBondContact O-N 3.33Å; D1146-S1149 PolarHBondContact O-OG 3.48Å; D1146-T1150 WeakPolarHBondContact O-CB 3.44Å; D1146-T1150 PolarHBondContact O-N 2.94Å; D1146-T1150 PolarHBondContact O-OG1 2.98Å
1147	V	71.8	Confident	65.6	Low	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-53	176.8	176	0	0	0	0	111.3	W1078 M1111 L1115 L1130 Q1143 L1144 S1149 T1150 Y1151	W1078-V1147 HydrophobicContact CH2-CG2 3.44Å; W1078-V1147 VanDerWaalsContact CH2-CG2 3.44Å; W1078-V1147 HydrophobicContact CZ2-CG2 3.53Å; M1111-V1147 HydrophobicContact CB-CG2 4.1Å; M1111-V1147 HydrophobicContact CG-CG2 4.4Å; M1111-V1147 HydrophobicContact SD-CB 4.4Å; M1111-V1147 HydrophobicContact SD-CG2 3.72Å; L1115-V1147 HydrophobicContact CD1-CG2 4.13Å; L1115-V1147 HydrophobicContact CD2-CG1 4.2Å; L1115-V1147 HydrophobicContact CG-CG1 4.31Å; L1115-V1147 HydrophobicContact CG-CG2 4.32Å; L1130-V1147 HydrophobicContact CD1-CG1 4Å; L1130-V1147 HydrophobicContact CD2-CG1 4.18Å; Q1143-V1147 WeakPolarHBondContact O-CG2 3.28Å; Q1143-V1147 PolarHBondContact O-N 3.43Å; L1144-V1147 PolarHBondContact O-N 3.1Å; V1147-S1149 PolarHBondContact O-N 3.48Å; V1147-T1150 CarbonylContact O-C 3.54Å; V1147-T1150 WeakPolarHBondContact O-CA 3.23Å; V1147-T1150 VanDerWaalsContact O-CB 3.28Å; V1147-T1150 WeakPolarHBondContact O-CB 3.5Å; V1147-T1150 PolarHBondContact O-N 3.47Å; V1147-Y1151 HydrophobicContact CG1-CD2 3.64Å; V1147-Y1151 HydrophobicContact CG1-CE2 3.27Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.33Å; V1147-Y1151 PolarHBondContact O-N 3.06Å
1148	L	70	Confident	66	Low	11 Å²	11	29.2 Å²	29.2	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-172.8	-70.2	175.8	0	0	0	112.7	L1130 L1144 T1150 Y1151 E1152 F1175 F1188	L1130-L1148 HydrophobicContact CD2-CD2 3.82Å; L1144-L1148 HydrophobicContact CD1-CD1 3.91Å; L1144-L1148 HydrophobicContact CD1-CG 4.08Å; L1144-L1148 HydrophobicContact CD2-CD1 4.35Å; L1144-L1148 HydrophobicContact CG-CD1 3.78Å; L1144-L1148 HydrophobicContact CG-CG 4.3Å; L1144-L1148 WeakPolarHBondContact O-CB 3.42Å; L1144-L1148 WeakPolarHBondContact O-CG 3.29Å; L1144-L1148 PolarHBondContact O-N 3.39Å; L1148-T1150 VanDerWaalsContact C-N 3.27Å; L1148-T1150 PolarHBondContact O-N 3.3Å; L1148-Y1151 WeakPolarHBondContact O-CB 3.36Å; L1148-Y1151 PolarHBondContact O-N 3.32Å; L1148-E1152 PolarHBondContact O-N 3.28Å; L1148-F1175 HydrophobicContact CD2-CE1 3.91Å; L1148-F1175 HydrophobicContact CD2-CZ 4.28Å; L1148-F1188 HydrophobicContact CB-CD1 4.34Å; L1148-F1188 HydrophobicContact CB-CD2 4.25Å; L1148-F1188 HydrophobicContact CB-CE1 3.74Å; L1148-F1188 HydrophobicContact CB-CE2 3.62Å; L1148-F1188 HydrophobicContact CB-CZ 3.34Å; L1148-F1188 HydrophobicContact CD1-CB 4.33Å; L1148-F1188 HydrophobicContact CD1-CD1 3.47Å; L1148-F1188 VanDerWaalsContact CD1-CD1 3.47Å; L1148-F1188 HydrophobicContact CD1-CD2 4.03Å; L1148-F1188 HydrophobicContact CD1-CE1 3.69Å; L1148-F1188 HydrophobicContact CD1-CE2 4.21Å; L1148-F1188 HydrophobicContact CD1-CG 3.66Å; L1148-F1188 HydrophobicContact CD1-CZ 4.06Å; L1148-F1188 HydrophobicContact CG-CE1 4.32Å; L1148-F1188 HydrophobicContact CG-CZ 4.34Å
1149	S	67.9	Low	66.2	Low	10 Å²	10	31.7 Å²	31.7	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-25.3	172.1	54.6	0	0	0	0	113.2	R1086 T1145 D1146 V1147 E1152 L1153	R1086-S1149 PolarHBondContact NH2-OG 3.18Å; T1145-S1149 WeakPolarHBondContact O-CB 3.43Å; T1145-S1149 PolarHBondContact O-N 3.16Å; T1145-S1149 VanDerWaalsContact O-N 3.11Å; T1145-S1149 PolarHBondContact O-OG 3Å; D1146-S1149 PolarHBondContact O-OG 3.48Å; V1147-S1149 PolarHBondContact O-N 3.48Å; S1149-E1152 WeakPolarHBondContact O-CB 3.39Å; S1149-L1153 PolarHBondContact O-N 3.2Å
1150	T	70.5	Confident	66.3	Low	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.3	-37.9	170.4	-54.7	0	0	0	0	111.2	T1085 R1086 L1089 L1115 D1146 V1147 L1148 E1152 L1153 Y1154	T1085-T1150 HydrophobicContact CG2-CG2 3.42Å; T1085-T1150 VanDerWaalsContact CG2-CG2 3.42Å; R1086-T1150 HydrophobicContact CG-CG2 3.91Å; R1086-T1150 WeakPolarHBondContact CG-OG1 3.18Å; R1086-T1150 PolarHBondContact NE-OG1 3.49Å; L1089-T1150 HydrophobicContact CD1-CG2 3.65Å; L1089-T1150 WeakPolarHBondContact CD1-O 3.24Å; L1115-T1150 HydrophobicContact CD2-CG2 3.59Å; D1146-T1150 WeakPolarHBondContact O-CB 3.44Å; D1146-T1150 PolarHBondContact O-N 2.94Å; D1146-T1150 PolarHBondContact O-OG1 2.98Å; V1147-T1150 CarbonylContact O-C 3.54Å; V1147-T1150 WeakPolarHBondContact O-CA 3.23Å; V1147-T1150 VanDerWaalsContact O-CB 3.28Å; V1147-T1150 WeakPolarHBondContact O-CB 3.5Å; V1147-T1150 PolarHBondContact O-N 3.47Å; L1148-T1150 VanDerWaalsContact C-N 3.27Å; L1148-T1150 PolarHBondContact O-N 3.3Å; T1150-E1152 VanDerWaalsContact C-N 3.27Å; T1150-E1152 PolarHBondContact O-N 3.5Å; T1150-L1153 PolarHBondContact O-N 3.44Å; T1150-Y1154 PolarHBondContact O-N 3.39Å
1151	Y	75.8	Confident	66.8	Low	1 Å²	1	33 Å²	33	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-38.2	171.5	-84	-132.8	0	0	0	111.3	S1114 L1115 L1118 S1126 F1127 L1130 V1147 L1148 Y1154 F1155 Y1168	S1114-Y1151 VanDerWaalsContact CB-OH 3.26Å; S1114-Y1151 WeakPolarHBondContact CB-OH 3.44Å; S1114-Y1151 PolarHBondContact OG-OH 3.15Å; L1115-Y1151 HydrophobicContact CD2-CD2 3.92Å; L1115-Y1151 HydrophobicContact CD2-CE2 3.8Å; L1115-Y1151 HydrophobicContact CG-CE2 4.48Å; L1118-Y1151 HydrophobicContact CD1-CD1 4.13Å; L1118-Y1151 HydrophobicContact CD1-CE1 4.15Å; L1118-Y1151 HydrophobicContact CD1-CG 4.39Å; L1118-Y1151 HydrophobicContact CD2-CD1 4.43Å; L1118-Y1151 HydrophobicContact CD2-CD2 3.55Å; L1118-Y1151 HydrophobicContact CD2-CE2 3.87Å; L1118-Y1151 HydrophobicContact CD2-CG 3.88Å; S1126-Y1151 PolarHBondContact O-OH 3.09Å; S1126-Y1151 VanDerWaalsContact OG-CZ 3.26Å; S1126-Y1151 PolarHBondContact OG-OH 3.31Å; F1127-Y1151 HydrophobicContact CD1-CD1 4.34Å; F1127-Y1151 AromaticContact CD1-CE1 3.9Å; F1127-Y1151 HydrophobicContact CD1-CE1 3.9Å; F1127-Y1151 HydrophobicContact CD2-CD1 4.26Å; F1127-Y1151 AromaticContact CD2-CE1 3.81Å; F1127-Y1151 HydrophobicContact CD2-CE1 3.81Å; F1127-Y1151 AromaticContact CE1-CD1 3.74Å; F1127-Y1151 HydrophobicContact CE1-CD1 3.74Å; F1127-Y1151 AromaticContact CE1-CE1 3.78Å; F1127-Y1151 HydrophobicContact CE1-CE1 3.78Å; F1127-Y1151 AromaticContact CE2-CD1 3.66Å; F1127-Y1151 HydrophobicContact CE2-CD1 3.66Å; F1127-Y1151 AromaticContact CE2-CE1 3.7Å; F1127-Y1151 HydrophobicContact CE2-CE1 3.7Å; F1127-Y1151 AromaticContact CG-CE1 3.95Å; F1127-Y1151 HydrophobicContact CG-CE1 3.95Å; F1127-Y1151 AromaticContact CZ-CD1 3.39Å; F1127-Y1151 HydrophobicContact CZ-CD1 3.39Å; F1127-Y1151 AromaticContact CZ-CE1 3.72Å; F1127-Y1151 HydrophobicContact CZ-CE1 3.72Å; L1130-Y1151 HydrophobicContact CD2-CE1 4.08Å; V1147-Y1151 HydrophobicContact CG1-CD2 3.64Å; V1147-Y1151 HydrophobicContact CG1-CE2 3.27Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.33Å; V1147-Y1151 PolarHBondContact O-N 3.06Å; L1148-Y1151 WeakPolarHBondContact O-CB 3.36Å; L1148-Y1151 PolarHBondContact O-N 3.32Å; Y1151-Y1154 WeakPolarHBondContact O-CB 3.35Å; Y1151-Y1154 PolarHBondContact O-N 3.42Å; Y1151-F1155 PolarHBondContact O-N 3.39Å; Y1151-Y1168 HydrophobicContact CD1-CE2 4.18Å; Y1151-Y1168 VanDerWaalsContact O-CE2 3.32Å; Y1151-Y1168 WeakPolarHBondContact O-CE2 3.47Å; Y1151-Y1168 PolarHBondContact O-OH 3.3Å
1152	E	68.1	Low	67.3	Low	38 Å²	38	35.1 Å²	35.1	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-43.2	175.4	-165.9	-161.7	139.4	0	0	112	L1148 S1149 T1150 Y1154 F1155 N1156 M1199	L1148-E1152 PolarHBondContact O-N 3.28Å; S1149-E1152 WeakPolarHBondContact O-CB 3.39Å; T1150-E1152 VanDerWaalsContact C-N 3.27Å; T1150-E1152 PolarHBondContact O-N 3.5Å; E1152-Y1154 VanDerWaalsContact C-N 3.29Å; E1152-Y1154 PolarHBondContact O-N 3Å; E1152-F1155 PolarHBondContact O-N 3.18Å; E1152-N1156 PolarHBondContact O-N 3.14Å; E1152-N1156 VanDerWaalsContact O-N 3.1Å; E1152-N1156 PolarHBondContact O-ND2 2.95Å; E1152-M1199 HydrophobicContact CG-SD 4.25Å
1153	L	70.2	Confident	68	Low	38 Å²	38	33.9 Å²	33.9	20%	0.199	20%	0.198	C	C	.	.	H	α-helix	trans	-61.5	-38.7	173.6	-71.5	171.7	0	0	0	111.7	R1086 L1089 R1090 S1149 T1150 N1156 C1157	R1086-L1153 HydrophobicContact CB-CD1 3.69Å; R1086-L1153 HydrophobicContact CG-CD1 3.72Å; L1089-L1153 HydrophobicContact CB-CB 3.92Å; L1089-L1153 HydrophobicContact CD1-CB 3.97Å; R1090-L1153 HydrophobicContact CG-CD2 4.31Å; S1149-L1153 PolarHBondContact O-N 3.2Å; T1150-L1153 PolarHBondContact O-N 3.44Å; L1153-N1156 WeakPolarHBondContact O-CB 3.16Å; L1153-N1156 PolarHBondContact O-N 2.78Å; L1153-C1157 PolarHBondContact O-N 2.57Å; L1153-C1157 VanDerWaalsContact O-N 3.17Å; L1153-C1157 PolarHBondContact O-SG 3.23Å
1154	Y	72.8	Confident	68.5	Low	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-46.1	175.6	-176.9	-89.6	0	0	0	111.9	L1089 L1096 L1118 V1123 T1150 Y1151 E1152 N1156 C1157 C1158 Y1168	L1089-Y1154 HydrophobicContact CD2-CD2 3.74Å; L1089-Y1154 HydrophobicContact CD2-CG 4.42Å; L1096-Y1154 HydrophobicContact CD2-CE2 4.09Å; L1118-Y1154 HydrophobicContact CD1-CD1 3.8Å; L1118-Y1154 HydrophobicContact CD1-CD2 4.48Å; L1118-Y1154 HydrophobicContact CD1-CE1 4.02Å; L1118-Y1154 HydrophobicContact CD1-CG 4.05Å; L1118-Y1154 HydrophobicContact CD2-CD1 4.35Å; L1118-Y1154 HydrophobicContact CD2-CD2 4.03Å; L1118-Y1154 HydrophobicContact CD2-CG 3.77Å; L1118-Y1154 HydrophobicContact CG-CD1 3.99Å; L1118-Y1154 HydrophobicContact CG-CD2 3.77Å; L1118-Y1154 HydrophobicContact CG-CE1 4.3Å; L1118-Y1154 HydrophobicContact CG-CE2 4.1Å; L1118-Y1154 HydrophobicContact CG-CG 3.72Å; L1118-Y1154 WeakPolarHBondContact O-CE2 3.39Å; L1118-Y1154 PolarHBondContact O-OH 3Å; V1123-Y1154 HydrophobicContact CG2-CE1 3.86Å; T1150-Y1154 PolarHBondContact O-N 3.39Å; Y1151-Y1154 WeakPolarHBondContact O-CB 3.35Å; Y1151-Y1154 PolarHBondContact O-N 3.42Å; E1152-Y1154 VanDerWaalsContact C-N 3.29Å; E1152-Y1154 PolarHBondContact O-N 3Å; Y1154-N1156 VanDerWaalsContact C-N 3.26Å; Y1154-N1156 PolarHBondContact O-N 2.91Å; Y1154-C1157 WeakPolarHBondContact O-CA 3.49Å; Y1154-C1157 VanDerWaalsContact O-CB 3.27Å; Y1154-C1157 WeakPolarHBondContact O-CB 2.96Å; Y1154-C1157 PolarHBondContact O-N 3.43Å; Y1154-C1158 WeakPolarHBondContact CE1-SG 3.49Å; Y1154-C1158 PolarHBondContact O-N 3.48Å; Y1154-C1158 VanDerWaalsContact O-N 3.07Å; Y1154-C1158 PolarHBondContact O-SG 2.87Å; Y1154-C1158 VanDerWaalsContact O-SG 3.34Å; Y1154-Y1168 AromaticContact CD1-CD2 3.96Å; Y1154-Y1168 HydrophobicContact CD1-CD2 3.96Å; Y1154-Y1168 HydrophobicContact CD1-CE2 4.3Å; Y1154-Y1168 HydrophobicContact CE1-CD2 4.44Å
1155	F	68.3	Low	68.7	Low	5 Å²	5	37.9 Å²	37.9	2%	0.022	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-42.1	174.8	178.8	-103.6	0	0	0	112.5	Y1151 E1152 C1157 C1158 R1165 Y1168 V1169 M1199	Y1151-F1155 PolarHBondContact O-N 3.39Å; E1152-F1155 PolarHBondContact O-N 3.18Å; F1155-C1157 PolarHBondContact O-N 3.26Å; F1155-C1158 PolarHBondContact O-N 3.35Å; F1155-C1158 VanDerWaalsContact O-N 3.17Å; F1155-R1165 HydrophobicContact CD2-CG 4.29Å; F1155-R1165 HydrophobicContact CE2-CG 3.62Å; F1155-R1165 HydrophobicContact CZ-CG 4.31Å; F1155-Y1168 HydrophobicContact CB-CD1 4.06Å; F1155-Y1168 HydrophobicContact CB-CE1 3.63Å; F1155-Y1168 HydrophobicContact CB-CE2 4.17Å; F1155-Y1168 AromaticContact CD2-CD1 3.31Å; F1155-Y1168 HydrophobicContact CD2-CD1 3.31Å; F1155-Y1168 AromaticContact CD2-CE1 3.57Å; F1155-Y1168 HydrophobicContact CD2-CE1 3.57Å; F1155-Y1168 HydrophobicContact CD2-CG 4.02Å; F1155-Y1168 HydrophobicContact CE2-CD1 4.06Å; F1155-Y1168 HydrophobicContact CE2-CE1 4.45Å; F1155-Y1168 HydrophobicContact CG-CD1 4.03Å; F1155-Y1168 AromaticContact CG-CE1 3.83Å; F1155-Y1168 HydrophobicContact CG-CE1 3.83Å; F1155-V1169 HydrophobicContact CE2-CG2 3.73Å; F1155-V1169 HydrophobicContact CZ-CG2 4.45Å; F1155-M1199 HydrophobicContact CD1-CG 3.65Å; F1155-M1199 HydrophobicContact CD1-SD 3.6Å; F1155-M1199 HydrophobicContact CE1-CG 3.3Å; F1155-M1199 HydrophobicContact CE1-SD 3.93Å; F1155-M1199 HydrophobicContact CG-CG 4.41Å; F1155-M1199 HydrophobicContact CG-SD 4.19Å; F1155-M1199 HydrophobicContact CZ-CG 3.78Å
1156	N	63.5	Low	69.1	Low	48 Å²	48	39.3 Å²	39.3	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-29.9	175.7	-79.3	-50.2	0	0	0	113.2	E1152 L1153 Y1154 K1159	E1152-N1156 PolarHBondContact O-N 3.14Å; E1152-N1156 VanDerWaalsContact O-N 3.1Å; E1152-N1156 PolarHBondContact O-ND2 2.95Å; L1153-N1156 WeakPolarHBondContact O-CB 3.16Å; L1153-N1156 PolarHBondContact O-N 2.78Å; Y1154-N1156 VanDerWaalsContact C-N 3.26Å; Y1154-N1156 PolarHBondContact O-N 2.91Å; N1156-K1159 WeakPolarHBondContact O-CD 3.5Å; N1156-K1159 VanDerWaalsContact O-CG 3.31Å; N1156-K1159 WeakPolarHBondContact O-CG 3.36Å
1157	C	66.6	Low	69.5	Low	33 Å²	33	38.9 Å²	38.9	22%	0.223	23%	0.227	C	C	.	.	H	α-helix	trans	-74.1	-33.5	174.1	-61.1	0	0	0	0	112.7	L1089 L1153 Y1154 F1155 K1159	L1089-C1157 PolarHBondContact O-SG 3.03Å; L1153-C1157 PolarHBondContact O-N 2.57Å; L1153-C1157 VanDerWaalsContact O-N 3.17Å; L1153-C1157 PolarHBondContact O-SG 3.23Å; Y1154-C1157 WeakPolarHBondContact O-CA 3.49Å; Y1154-C1157 VanDerWaalsContact O-CB 3.27Å; Y1154-C1157 WeakPolarHBondContact O-CB 2.96Å; Y1154-C1157 PolarHBondContact O-N 3.43Å; F1155-C1157 PolarHBondContact O-N 3.26Å; C1157-K1159 PolarHBondContact O-N 3.49Å; C1157-K1159 VanDerWaalsContact O-N 3.12Å
1158	C	64.4	Low	69.8	Low	3 Å²	3	39.1 Å²	39.1	2%	0.02	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-72.4	4.7	-179.5	-63.5	0	0	0	0	114.3	Y1154 F1155 S1160 D1161 L1164 R1165	Y1154-C1158 WeakPolarHBondContact CE1-SG 3.49Å; Y1154-C1158 PolarHBondContact O-N 3.48Å; Y1154-C1158 VanDerWaalsContact O-N 3.07Å; Y1154-C1158 PolarHBondContact O-SG 2.87Å; Y1154-C1158 VanDerWaalsContact O-SG 3.34Å; F1155-C1158 PolarHBondContact O-N 3.35Å; F1155-C1158 VanDerWaalsContact O-N 3.17Å; C1158-S1160 PolarHBondContact O-N 2.79Å; C1158-D1161 PolarHBondContact O-N 3.47Å; C1158-L1164 HydrophobicContact CB-CB 4.42Å; C1158-R1165 HydrophobicContact CB-CB 4.45Å
1159	K	61.1	Low	69.9	Low	142 Å²	142	39.3 Å²	39.3	62%	0.617	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-50.3	-28.3	-176.1	-82.2	175.7	-174.4	172.6	0	114.8	N1156 C1157	N1156-K1159 WeakPolarHBondContact O-CD 3.5Å; N1156-K1159 VanDerWaalsContact O-CG 3.31Å; N1156-K1159 WeakPolarHBondContact O-CG 3.36Å; C1157-K1159 PolarHBondContact O-N 3.49Å; C1157-K1159 VanDerWaalsContact O-N 3.12Å
1160	S	61.4	Low	70.1	Confident	63 Å²	63	43.1 Å²	43.1	44%	0.441	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-96.9	-14.5	-179.3	61.1	0	0	0	0	116	R1093 C1158	R1093-S1160 VanDerWaalsContact CZ-OG 3.28Å; R1093-S1160 PolarHBondContact NE-OG 2.8Å; R1093-S1160 PolarHBondContact NH2-OG 3.01Å; C1158-S1160 PolarHBondContact O-N 2.79Å
1161	D	71.4	Confident	70.6	Confident	68 Å²	68	43.6 Å²	43.6	36%	0.364	25%	0.249	S	C	.	.			trans	-108.3	101.1	-178.3	-171.1	-32.3	0	0	0	108.8	C1158 A1163 L1164 R1165	C1158-D1161 PolarHBondContact O-N 3.47Å; D1161-A1163 VanDerWaalsContact C-N 3.28Å; D1161-A1163 PolarHBondContact O-N 2.93Å; D1161-A1163 PolarHBondContact OD1-N 2.91Å; D1161-A1163 VanDerWaalsContact OD1-N 3.07Å; D1161-L1164 HydrophobicContact CB-CB 4.14Å; D1161-L1164 HydrophobicContact CB-CD1 4.17Å; D1161-L1164 HydrophobicContact CB-CG 4.42Å; D1161-L1164 PolarHBondContact OD1-N 2.95Å; D1161-L1164 VanDerWaalsContact OD1-N 3.09Å; D1161-L1164 WeakPolarHBondContact OD2-CD1 3.33Å; D1161-R1165 VanDerWaalsContact O-CB 3.27Å; D1161-R1165 WeakPolarHBondContact O-CB 3.45Å; D1161-R1165 PolarHBondContact O-N 2.89Å
1162	S	71.8	Confident	70.5	Confident	101 Å²	101	44.1 Å²	44.1	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-62.3	-34.7	-177.8	54.8	0	0	0	0	112.5	R1165 S1166	S1162-R1165 PolarHBondContact O-N 3.44Å; S1162-S1166 WeakPolarHBondContact O-CB 3.3Å; S1162-S1166 PolarHBondContact O-N 3.37Å
1163	A	74.1	Confident	70.4	Confident	67 Å²	67	42.6 Å²	42.6	55%	0.554	25%	0.246	S	C	*	.	H	α-helix	trans	-71.8	-47.4	-177.4	0	0	0	0	0	111.4	D1161 R1165 S1166 A1167	D1161-A1163 VanDerWaalsContact C-N 3.28Å; D1161-A1163 PolarHBondContact O-N 2.93Å; D1161-A1163 PolarHBondContact OD1-N 2.91Å; D1161-A1163 VanDerWaalsContact OD1-N 3.07Å; A1163-R1165 VanDerWaalsContact C-N 3.27Å; A1163-R1165 PolarHBondContact O-N 2.91Å; A1163-S1166 PolarHBondContact O-N 2.78Å; A1163-A1167 WeakPolarHBondContact O-CB 3.16Å; A1163-A1167 PolarHBondContact O-N 2.9Å
1164	L	71.6	Confident	70.6	Confident	33 Å²	33	43.4 Å²	43.4	17%	0.173	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-38.2	173.7	-76.3	175.7	0	0	0	111.7	V1123 C1158 D1161 Y1168	V1123-L1164 HydrophobicContact CG2-CD2 4.2Å; C1158-L1164 HydrophobicContact CB-CB 4.42Å; D1161-L1164 HydrophobicContact CB-CB 4.14Å; D1161-L1164 HydrophobicContact CB-CD1 4.17Å; D1161-L1164 HydrophobicContact CB-CG 4.42Å; D1161-L1164 PolarHBondContact OD1-N 2.95Å; D1161-L1164 VanDerWaalsContact OD1-N 3.09Å; D1161-L1164 WeakPolarHBondContact OD2-CD1 3.33Å; L1164-Y1168 VanDerWaalsContact O-CB 3.3Å; L1164-Y1168 WeakPolarHBondContact O-CB 3.29Å; L1164-Y1168 PolarHBondContact O-N 2.96Å
1165	R	71.8	Confident	70.8	Confident	73 Å²	73	43.4 Å²	43.4	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-66.8	-44.4	178.4	-169.2	175.4	179	177.6	-6.6	112.2	F1155 C1158 D1161 S1162 A1163 Y1168 V1169	F1155-R1165 HydrophobicContact CD2-CG 4.29Å; F1155-R1165 HydrophobicContact CE2-CG 3.62Å; F1155-R1165 HydrophobicContact CZ-CG 4.31Å; C1158-R1165 HydrophobicContact CB-CB 4.45Å; D1161-R1165 VanDerWaalsContact O-CB 3.27Å; D1161-R1165 WeakPolarHBondContact O-CB 3.45Å; D1161-R1165 PolarHBondContact O-N 2.89Å; S1162-R1165 PolarHBondContact O-N 3.44Å; A1163-R1165 VanDerWaalsContact C-N 3.27Å; A1163-R1165 PolarHBondContact O-N 2.91Å; R1165-Y1168 PolarHBondContact O-N 3.26Å; R1165-V1169 VanDerWaalsContact O-CG2 3.27Å; R1165-V1169 WeakPolarHBondContact O-CG2 3.4Å; R1165-V1169 PolarHBondContact O-N 3.14Å
1166	S	71.4	Confident	70.8	Confident	61 Å²	61	43.3 Å²	43.3	43%	0.427	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-48.2	175	163	0	0	0	0	110.8	S1162 A1163 Y1168 V1169 E1170	S1162-S1166 WeakPolarHBondContact O-CB 3.3Å; S1162-S1166 PolarHBondContact O-N 3.37Å; A1163-S1166 PolarHBondContact O-N 2.78Å; S1166-Y1168 VanDerWaalsContact C-N 3.3Å; S1166-Y1168 PolarHBondContact O-N 2.82Å; S1166-V1169 PolarHBondContact O-N 3.39Å; S1166-E1170 WeakPolarHBondContact O-CG 3.3Å; S1166-E1170 PolarHBondContact O-N 2.92Å; S1166-E1170 PolarHBondContact OG-OE1 2.92Å
1167	A	75.5	Confident	70.9	Confident	22 Å²	22	45 Å²	45	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-39	176.8	0	0	0	0	0	112.7	A1163 S1171	A1163-A1167 WeakPolarHBondContact O-CB 3.16Å; A1163-A1167 PolarHBondContact O-N 2.9Å; A1167-S1171 VanDerWaalsContact O-CB 3.28Å; A1167-S1171 WeakPolarHBondContact O-CB 3.02Å; A1167-S1171 PolarHBondContact O-N 2.9Å; A1167-S1171 VanDerWaalsContact O-N 3.09Å; A1167-S1171 PolarHBondContact O-OG 2.79Å
1168	Y	77.2	Confident	71.1	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-47.3	174.6	-178.9	-80.7	0	0	0	112.2	L1118 V1123 F1127 Y1151 Y1154 F1155 L1164 R1165 S1166 S1171 L1172 M1199	L1118-Y1168 HydrophobicContact CD1-CD2 4.48Å; V1123-Y1168 HydrophobicContact CG1-CD2 4.02Å; V1123-Y1168 HydrophobicContact CG1-CG 4.4Å; F1127-Y1168 AromaticContact CE2-CD2 3.85Å; F1127-Y1168 HydrophobicContact CE2-CD2 3.85Å; F1127-Y1168 AromaticContact CE2-CE2 3.92Å; F1127-Y1168 HydrophobicContact CE2-CE2 3.92Å; F1127-Y1168 HydrophobicContact CE2-CG 4.36Å; F1127-Y1168 HydrophobicContact CZ-CD2 4.29Å; F1127-Y1168 AromaticContact CZ-CE2 3.96Å; F1127-Y1168 HydrophobicContact CZ-CE2 3.96Å; Y1151-Y1168 HydrophobicContact CD1-CE2 4.18Å; Y1151-Y1168 VanDerWaalsContact O-CE2 3.32Å; Y1151-Y1168 WeakPolarHBondContact O-CE2 3.47Å; Y1151-Y1168 PolarHBondContact O-OH 3.3Å; Y1154-Y1168 AromaticContact CD1-CD2 3.96Å; Y1154-Y1168 HydrophobicContact CD1-CD2 3.96Å; Y1154-Y1168 HydrophobicContact CD1-CE2 4.3Å; Y1154-Y1168 HydrophobicContact CE1-CD2 4.44Å; F1155-Y1168 HydrophobicContact CB-CD1 4.06Å; F1155-Y1168 HydrophobicContact CB-CE1 3.63Å; F1155-Y1168 HydrophobicContact CB-CE2 4.17Å; F1155-Y1168 AromaticContact CD2-CD1 3.31Å; F1155-Y1168 HydrophobicContact CD2-CD1 3.31Å; F1155-Y1168 AromaticContact CD2-CE1 3.57Å; F1155-Y1168 HydrophobicContact CD2-CE1 3.57Å; F1155-Y1168 HydrophobicContact CD2-CG 4.02Å; F1155-Y1168 HydrophobicContact CE2-CD1 4.06Å; F1155-Y1168 HydrophobicContact CE2-CE1 4.45Å; F1155-Y1168 HydrophobicContact CG-CD1 4.03Å; F1155-Y1168 AromaticContact CG-CE1 3.83Å; F1155-Y1168 HydrophobicContact CG-CE1 3.83Å; L1164-Y1168 VanDerWaalsContact O-CB 3.3Å; L1164-Y1168 WeakPolarHBondContact O-CB 3.29Å; L1164-Y1168 PolarHBondContact O-N 2.96Å; R1165-Y1168 PolarHBondContact O-N 3.26Å; S1166-Y1168 VanDerWaalsContact C-N 3.3Å; S1166-Y1168 PolarHBondContact O-N 2.82Å; Y1168-S1171 PolarHBondContact O-N 3.13Å; Y1168-L1172 HydrophobicContact CE1-CB 4.33Å; Y1168-L1172 HydrophobicContact CE1-CD2 3.91Å; Y1168-L1172 VanDerWaalsContact O-CB 3.28Å; Y1168-L1172 WeakPolarHBondContact O-CB 3.41Å; Y1168-L1172 PolarHBondContact O-N 2.93Å; Y1168-M1199 HydrophobicContact CE1-CE 4.26Å
1169	V	71.7	Confident	71.3	Confident	16 Å²	16	44.7 Å²	44.7	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-47	-179.1	173.3	0	0	0	0	110.8	F1155 R1165 S1166 S1171 L1172 V1173 I1206	F1155-V1169 HydrophobicContact CE2-CG2 3.73Å; F1155-V1169 HydrophobicContact CZ-CG2 4.45Å; R1165-V1169 VanDerWaalsContact O-CG2 3.27Å; R1165-V1169 WeakPolarHBondContact O-CG2 3.4Å; R1165-V1169 PolarHBondContact O-N 3.14Å; S1166-V1169 PolarHBondContact O-N 3.39Å; V1169-S1171 VanDerWaalsContact C-N 3.31Å; V1169-S1171 PolarHBondContact O-N 3.04Å; V1169-L1172 PolarHBondContact O-N 2.83Å; V1169-V1173 HydrophobicContact CG1-CG2 4.46Å; V1169-V1173 VanDerWaalsContact O-CG2 3.31Å; V1169-V1173 WeakPolarHBondContact O-CG2 3.48Å; V1169-V1173 PolarHBondContact O-N 2.94Å; V1169-I1206 HydrophobicContact CG1-CD1 3.37Å
1170	E	74	Confident	71.3	Confident	90 Å²	90	38.3 Å²	38.3	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-55.4	-46.2	174.8	-74.5	175.4	-171.5	0	0	111.9	K1124 S1166 V1173 S1174	K1124-E1170 WeakPolarHBondContact CE-OE2 3.34Å; K1124-E1170 IonicContact NZ-OE2 3.62Å; K1124-E1170 PolarHBondContact NZ-OE2 2.76Å; S1166-E1170 WeakPolarHBondContact O-CG 3.3Å; S1166-E1170 PolarHBondContact O-N 2.92Å; S1166-E1170 PolarHBondContact OG-OE1 2.92Å; E1170-V1173 PolarHBondContact O-N 2.53Å; E1170-S1174 PolarHBondContact O-N 2.9Å; E1170-S1174 VanDerWaalsContact O-N 3.08Å
1171	S	80.4	Confident	71.1	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-37.8	-178.1	-55.2	0	0	0	0	112.3	K1124 A1167 Y1168 V1169 F1175	K1124-S1171 WeakPolarHBondContact CG-OG 3.47Å; A1167-S1171 VanDerWaalsContact O-CB 3.28Å; A1167-S1171 WeakPolarHBondContact O-CB 3.02Å; A1167-S1171 PolarHBondContact O-N 2.9Å; A1167-S1171 VanDerWaalsContact O-N 3.09Å; A1167-S1171 PolarHBondContact O-OG 2.79Å; Y1168-S1171 PolarHBondContact O-N 3.13Å; V1169-S1171 VanDerWaalsContact C-N 3.31Å; V1169-S1171 PolarHBondContact O-N 3.04Å; S1171-F1175 WeakPolarHBondContact O-CB 3.37Å; S1171-F1175 PolarHBondContact O-N 2.82Å
1172	L	73.6	Confident	70.6	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-45.3	175.6	-179.4	64.3	0	0	0	110.9	F1127 Y1168 V1169 F1175 T1176 M1199 I1203	F1127-L1172 HydrophobicContact CE1-CB 4.07Å; F1127-L1172 HydrophobicContact CE1-CD1 3.75Å; F1127-L1172 HydrophobicContact CZ-CB 3.77Å; F1127-L1172 HydrophobicContact CZ-CD1 3.94Å; F1127-L1172 HydrophobicContact CZ-CG 4.46Å; Y1168-L1172 HydrophobicContact CE1-CB 4.33Å; Y1168-L1172 HydrophobicContact CE1-CD2 3.91Å; Y1168-L1172 VanDerWaalsContact O-CB 3.28Å; Y1168-L1172 WeakPolarHBondContact O-CB 3.41Å; Y1168-L1172 PolarHBondContact O-N 2.93Å; V1169-L1172 PolarHBondContact O-N 2.83Å; L1172-F1175 WeakPolarHBondContact O-CB 3.46Å; L1172-F1175 PolarHBondContact O-N 2.86Å; L1172-T1176 HydrophobicContact CD1-CG2 4.36Å; L1172-T1176 WeakPolarHBondContact O-CG2 3.49Å; L1172-T1176 PolarHBondContact O-N 3.33Å; L1172-T1176 PolarHBondContact O-OG1 2.84Å; L1172-M1199 HydrophobicContact CD2-CE 3.53Å; L1172-I1203 HydrophobicContact CD2-CD1 3.89Å; L1172-I1203 HydrophobicContact CD2-CG1 4.3Å
1173	V	65.6	Low	69.9	Low	6 Å²	6	39 Å²	39	4%	0.036	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-50.3	177.2	173	0	0	0	0	110.4	V1169 E1170 F1175 T1176 E1177 I1203 I1206	V1169-V1173 HydrophobicContact CG1-CG2 4.46Å; V1169-V1173 VanDerWaalsContact O-CG2 3.31Å; V1169-V1173 WeakPolarHBondContact O-CG2 3.48Å; V1169-V1173 PolarHBondContact O-N 2.94Å; E1170-V1173 PolarHBondContact O-N 2.53Å; V1173-F1175 VanDerWaalsContact C-N 3.28Å; V1173-F1175 PolarHBondContact O-N 3.44Å; V1173-T1176 VanDerWaalsContact CA-OG1 3.31Å; V1173-T1176 WeakPolarHBondContact CA-OG1 3.43Å; V1173-T1176 PolarHBondContact O-N 3.38Å; V1173-T1176 VanDerWaalsContact O-N 3.16Å; V1173-T1176 PolarHBondContact O-OG1 3.16Å; V1173-E1177 HydrophobicContact CG1-CG 4.32Å; V1173-E1177 WeakPolarHBondContact O-CB 3.42Å; V1173-E1177 WeakPolarHBondContact O-CG 3.4Å; V1173-E1177 PolarHBondContact O-N 3.34Å; V1173-I1203 HydrophobicContact CG2-CG1 4.46Å; V1173-I1206 HydrophobicContact CB-CG2 4.4Å; V1173-I1206 HydrophobicContact CG1-CG2 4.01Å; V1173-I1206 HydrophobicContact CG2-CB 4.13Å; V1173-I1206 HydrophobicContact CG2-CD1 4.48Å; V1173-I1206 HydrophobicContact CG2-CG2 4.06Å
1174	S	75.2	Confident	69.2	Low	54 Å²	54	36.5 Å²	36.5	38%	0.378	20%	0.204	S	C	.	.	H	α-helix	trans	-60.1	-34.6	176.2	156.4	0	0	0	0	113.4	E1170 A1178	E1170-S1174 PolarHBondContact O-N 2.9Å; E1170-S1174 VanDerWaalsContact O-N 3.08Å; S1174-A1178 WeakPolarHBondContact O-CB 3.48Å; S1174-A1178 PolarHBondContact O-N 3.12Å
1175	F	76.9	Confident	68.6	Low	1 Å²	1	35 Å²	35	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-69.6	-46.3	174	172.7	-95.1	0	0	0	111.4	F1127 L1130 K1131 V1134 L1148 S1171 L1172 V1173 A1178 C1179 V1185	F1127-F1175 HydrophobicContact CD1-CB 3.59Å; F1127-F1175 HydrophobicContact CD1-CD2 4.33Å; F1127-F1175 AromaticContact CD1-CG 3.9Å; F1127-F1175 HydrophobicContact CD1-CG 3.9Å; F1127-F1175 HydrophobicContact CE1-CB 4.05Å; F1127-F1175 HydrophobicContact CE1-CD1 4.46Å; F1127-F1175 HydrophobicContact CE1-CG 4.26Å; L1130-F1175 HydrophobicContact CB-CE2 4.33Å; L1130-F1175 HydrophobicContact CD2-CD2 4.3Å; L1130-F1175 HydrophobicContact CD2-CE2 3.83Å; L1130-F1175 HydrophobicContact CD2-CZ 3.95Å; L1130-F1175 HydrophobicContact CG-CD2 4.32Å; L1130-F1175 HydrophobicContact CG-CE2 3.65Å; L1130-F1175 HydrophobicContact CG-CZ 4.1Å; K1131-F1175 HydrophobicContact CB-CD2 4.02Å; V1134-F1175 HydrophobicContact CB-CE2 4.29Å; V1134-F1175 HydrophobicContact CG1-CZ 4.49Å; V1134-F1175 HydrophobicContact CG2-CE2 4.07Å; V1134-F1175 HydrophobicContact CG2-CZ 4.12Å; L1148-F1175 HydrophobicContact CD2-CE1 3.91Å; L1148-F1175 HydrophobicContact CD2-CZ 4.28Å; S1171-F1175 WeakPolarHBondContact O-CB 3.37Å; S1171-F1175 PolarHBondContact O-N 2.82Å; L1172-F1175 WeakPolarHBondContact O-CB 3.46Å; L1172-F1175 PolarHBondContact O-N 2.86Å; V1173-F1175 VanDerWaalsContact C-N 3.28Å; V1173-F1175 PolarHBondContact O-N 3.44Å; F1175-A1178 PolarHBondContact O-N 2.71Å; F1175-C1179 HydrophobicContact CE2-CB 4.19Å; F1175-C1179 HydrophobicContact CZ-CB 4.18Å; F1175-C1179 VanDerWaalsContact O-CB 3.27Å; F1175-C1179 WeakPolarHBondContact O-CB 3.23Å; F1175-C1179 PolarHBondContact O-N 2.83Å; F1175-V1185 HydrophobicContact CZ-CG2 4.38Å
1176	T	67.4	Low	67.7	Low	3 Å²	3	34.2 Å²	34.2	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-47.7	177.9	45.2	0	0	0	0	111.6	L1172 V1173 A1178 C1179 V1180 F1189	L1172-T1176 HydrophobicContact CD1-CG2 4.36Å; L1172-T1176 WeakPolarHBondContact O-CG2 3.49Å; L1172-T1176 PolarHBondContact O-N 3.33Å; L1172-T1176 PolarHBondContact O-OG1 2.84Å; V1173-T1176 VanDerWaalsContact CA-OG1 3.31Å; V1173-T1176 WeakPolarHBondContact CA-OG1 3.43Å; V1173-T1176 PolarHBondContact O-N 3.38Å; V1173-T1176 VanDerWaalsContact O-N 3.16Å; V1173-T1176 PolarHBondContact O-OG1 3.16Å; T1176-A1178 VanDerWaalsContact C-N 3.25Å; T1176-A1178 PolarHBondContact O-N 3.29Å; T1176-C1179 PolarHBondContact O-N 2.78Å; T1176-V1180 VanDerWaalsContact O-CB 3.27Å; T1176-V1180 WeakPolarHBondContact O-CB 3.39Å; T1176-V1180 PolarHBondContact O-N 3.49Å; T1176-F1189 HydrophobicContact CG2-CE1 4.43Å; T1176-F1189 HydrophobicContact CG2-CE2 3.93Å; T1176-F1189 HydrophobicContact CG2-CZ 3.46Å; T1176-F1189 VanDerWaalsContact CG2-CZ 3.46Å
1177	E	64.9	Low	66.9	Low	84 Å²	84	33.8 Å²	33.8	39%	0.393	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-37.7	179.4	-73.3	176.6	167.9	0	0	112.3	V1173 S1207 V1212	V1173-E1177 HydrophobicContact CG1-CG 4.32Å; V1173-E1177 WeakPolarHBondContact O-CB 3.42Å; V1173-E1177 WeakPolarHBondContact O-CG 3.4Å; V1173-E1177 PolarHBondContact O-N 3.34Å; E1177-S1207 PolarHBondContact OE1-OG 2.86Å; E1177-V1212 HydrophobicContact CG-CG2 4.43Å
1178	A	71	Confident	65.9	Low	29 Å²	29	33.6 Å²	33.6	24%	0.24	19%	0.185	C	C	.	.	H	α-helix	trans	-79.7	-32.6	179.4	0	0	0	0	0	114	K1131 L1135 S1174 F1175 T1176	K1131-A1178 HydrophobicContact CD-CB 3.94Å; K1131-A1178 HydrophobicContact CG-CB 4.29Å; L1135-A1178 WeakPolarHBondContact CD2-O 3.21Å; S1174-A1178 WeakPolarHBondContact O-CB 3.48Å; S1174-A1178 PolarHBondContact O-N 3.12Å; F1175-A1178 PolarHBondContact O-N 2.71Å; T1176-A1178 VanDerWaalsContact C-N 3.25Å; T1176-A1178 PolarHBondContact O-N 3.29Å
1179	C	69.6	Low	64.8	Low	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-113	-4	-167.1	-59.8	0	0	0	0	114.6	V1134 F1175 T1176 H1181 V1182 V1185	V1134-C1179 HydrophobicContact CG1-CB 3.81Å; F1175-C1179 HydrophobicContact CE2-CB 4.19Å; F1175-C1179 HydrophobicContact CZ-CB 4.18Å; F1175-C1179 VanDerWaalsContact O-CB 3.27Å; F1175-C1179 WeakPolarHBondContact O-CB 3.23Å; F1175-C1179 PolarHBondContact O-N 2.83Å; T1176-C1179 PolarHBondContact O-N 2.78Å; C1179-H1181 PolarHBondContact O-N 2.85Å; C1179-H1181 VanDerWaalsContact O-N 3.09Å; C1179-V1182 HydrophobicContact CB-CG2 4.44Å; C1179-V1182 WeakPolarHBondContact O-CB 3.45Å; C1179-V1182 WeakPolarHBondContact O-CG2 3.45Å; C1179-V1182 PolarHBondContact O-N 2.97Å; C1179-V1185 HydrophobicContact CB-CG2 4.04Å; C1179-V1185 WeakPolarHBondContact O-CB 3.45Å
1180	V	61.7	Low	63.7	Low	7 Å²	7	37.5 Å²	37.5	4%	0.042	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.1	-178.8	85.4	0	0	0	0	112.6	T1176 V1182 K1186 V1212 D1215	T1176-V1180 VanDerWaalsContact O-CB 3.27Å; T1176-V1180 WeakPolarHBondContact O-CB 3.39Å; T1176-V1180 PolarHBondContact O-N 3.49Å; V1180-V1182 VanDerWaalsContact C-N 3.28Å; V1180-V1182 PolarHBondContact O-N 3.2Å; V1180-K1186 WeakPolarHBondContact O-CE 3.28Å; V1180-K1186 WeakPolarHBondContact O-CG 3.25Å; V1180-V1212 HydrophobicContact CG1-CG2 4.25Å; V1180-D1215 HydrophobicContact CG2-CB 4.45Å
1181	H	56.7	Low	62.3	Low	127 Å²	127	39.5 Å²	39.5	59%	0.588	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-15.2	177.8	-56.6	-58.9	0	0	0	113.6	C1179	C1179-H1181 PolarHBondContact O-N 2.85Å; C1179-H1181 VanDerWaalsContact O-N 3.09Å
1182	V	61.3	Low	60.5	Low	21 Å²	21	42.5 Å²	42.5	13%	0.127	23%	0.231	C	C	.	.	S	Bend	trans	-78.2	127.2	-177.5	-171.9	0	0	0	0	109.6	V1134 C1179 V1180 C1184 V1185 K1186	V1134-V1182 HydrophobicContact CG1-CB 4.13Å; V1134-V1182 HydrophobicContact CG1-CG1 4.13Å; V1134-V1182 HydrophobicContact CG1-CG2 4.07Å; C1179-V1182 HydrophobicContact CB-CG2 4.44Å; C1179-V1182 WeakPolarHBondContact O-CB 3.45Å; C1179-V1182 WeakPolarHBondContact O-CG2 3.45Å; C1179-V1182 PolarHBondContact O-N 2.97Å; V1180-V1182 VanDerWaalsContact C-N 3.28Å; V1180-V1182 PolarHBondContact O-N 3.2Å; V1182-C1184 VanDerWaalsContact C-N 3.26Å; V1182-C1184 WeakPolarHBondContact CG1-SG 3.47Å; V1182-C1184 PolarHBondContact O-N 3.05Å; V1182-C1184 VanDerWaalsContact O-N 3.11Å; V1182-V1185 HydrophobicContact CB-CB 4.5Å; V1182-V1185 HydrophobicContact CB-CG2 4.22Å; V1182-V1185 PolarHBondContact O-N 3.07Å; V1182-K1186 PolarHBondContact O-N 3.33Å; V1182-K1186 VanDerWaalsContact O-N 3.1Å
1183	P	57.5	Low	58.9	Low	100 Å²	100	52.6 Å²	52.6	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-54.5	-35.5	-173.5	-28.8	34.4	0	0	0	115.3	T1187	P1183-T1187 PolarHBondContact O-N 3.36Å; P1183-T1187 PolarHBondContact O-OG1 3.3Å
1184	C	57.4	Low	57.6	Low	14 Å²	14	53.1 Å²	53.1	10%	0.095	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-32.7	178.4	59.3	0	0	0	0	113	V1141 L1144 V1182 T1187 F1188	V1141-C1184 HydrophobicContact CG2-CB 3.86Å; L1144-C1184 HydrophobicContact CD2-CB 3.89Å; L1144-C1184 VanDerWaalsContact CD2-SG 3.57Å; V1182-C1184 VanDerWaalsContact C-N 3.26Å; V1182-C1184 WeakPolarHBondContact CG1-SG 3.47Å; V1182-C1184 PolarHBondContact O-N 3.05Å; V1182-C1184 VanDerWaalsContact O-N 3.11Å; C1184-T1187 VanDerWaalsContact CA-OG1 3.25Å; C1184-T1187 WeakPolarHBondContact CA-OG1 3.45Å; C1184-T1187 PolarHBondContact O-OG1 3.06Å; C1184-T1187 VanDerWaalsContact O-OG1 3.06Å; C1184-F1188 PolarHBondContact O-N 3.46Å; C1184-F1188 VanDerWaalsContact O-N 3.1Å
1185	V	59.9	Low	56.2	Low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-75.3	-40.5	176.3	176.9	0	0	0	0	110.2	V1134 L1144 F1175 C1179 V1182 F1188 F1189	V1134-V1185 HydrophobicContact CG1-CG2 3.49Å; V1134-V1185 VanDerWaalsContact CG1-CG2 3.49Å; L1144-V1185 HydrophobicContact CD2-CG2 3.81Å; F1175-V1185 HydrophobicContact CZ-CG2 4.38Å; C1179-V1185 HydrophobicContact CB-CG2 4.04Å; C1179-V1185 WeakPolarHBondContact O-CB 3.45Å; V1182-V1185 HydrophobicContact CB-CB 4.5Å; V1182-V1185 HydrophobicContact CB-CG2 4.22Å; V1182-V1185 PolarHBondContact O-N 3.07Å; V1185-F1188 WeakPolarHBondContact O-CB 3.14Å; V1185-F1188 PolarHBondContact O-N 3.49Å; V1185-F1189 HydrophobicContact CG1-CD2 3.62Å; V1185-F1189 HydrophobicContact CG1-CE2 3.36Å; V1185-F1189 VanDerWaalsContact O-CD2 3.24Å; V1185-F1189 WeakPolarHBondContact O-CD2 3.22Å; V1185-F1189 PolarHBondContact O-N 3Å
1186	K	53.8	Low	54.7	Low	57 Å²	57	54.4 Å²	54.4	25%	0.248	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-50.5	171.6	-71.4	-159.9	166.6	-150.3	0	111.8	V1180 V1182 F1188 F1189 C1190 D1215	V1180-K1186 WeakPolarHBondContact O-CE 3.28Å; V1180-K1186 WeakPolarHBondContact O-CG 3.25Å; V1182-K1186 PolarHBondContact O-N 3.33Å; V1182-K1186 VanDerWaalsContact O-N 3.1Å; K1186-F1188 VanDerWaalsContact C-N 3.27Å; K1186-F1188 PolarHBondContact O-N 3.32Å; K1186-F1189 PolarHBondContact O-N 2.9Å; K1186-C1190 WeakPolarHBondContact O-CB 3.43Å; K1186-C1190 PolarHBondContact O-N 2.96Å; K1186-C1190 PolarHBondContact O-SG 3.19Å; K1186-D1215 WeakPolarHBondContact CE-OD2 3.1Å; K1186-D1215 IonicContact NZ-OD1 3.72Å; K1186-D1215 IonicContact NZ-OD2 2.86Å; K1186-D1215 PolarHBondContact NZ-OD2 2.85Å
1187	T	53.4	Low	53.6	Low	53 Å²	53	58.5 Å²	58.5	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-37.4	177.6	29.4	0	0	0	0	112.2	P1183 C1184 H1191	P1183-T1187 PolarHBondContact O-N 3.36Å; P1183-T1187 PolarHBondContact O-OG1 3.3Å; C1184-T1187 VanDerWaalsContact CA-OG1 3.25Å; C1184-T1187 WeakPolarHBondContact CA-OG1 3.45Å; C1184-T1187 PolarHBondContact O-OG1 3.06Å; C1184-T1187 VanDerWaalsContact O-OG1 3.06Å; T1187-H1191 WeakPolarHBondContact O-CB 3.25Å; T1187-H1191 PolarHBondContact O-CD2 3.49Å; T1187-H1191 VanDerWaalsContact O-CD2 3.26Å; T1187-H1191 PolarHBondContact O-N 3.07Å
1188	F	55.2	Low	52.6	Low	17 Å²	17	61.2 Å²	61.2	8%	0.075	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-52.3	173.1	177.4	-96.8	0	0	0	112.3	T1145 L1148 C1184 V1185 K1186 C1190 H1191 H1192	T1145-F1188 HydrophobicContact CG2-CD2 4.07Å; T1145-F1188 HydrophobicContact CG2-CE2 4.15Å; L1148-F1188 HydrophobicContact CB-CD1 4.34Å; L1148-F1188 HydrophobicContact CB-CD2 4.25Å; L1148-F1188 HydrophobicContact CB-CE1 3.74Å; L1148-F1188 HydrophobicContact CB-CE2 3.62Å; L1148-F1188 HydrophobicContact CB-CZ 3.34Å; L1148-F1188 HydrophobicContact CD1-CB 4.33Å; L1148-F1188 HydrophobicContact CD1-CD1 3.47Å; L1148-F1188 VanDerWaalsContact CD1-CD1 3.47Å; L1148-F1188 HydrophobicContact CD1-CD2 4.03Å; L1148-F1188 HydrophobicContact CD1-CE1 3.69Å; L1148-F1188 HydrophobicContact CD1-CE2 4.21Å; L1148-F1188 HydrophobicContact CD1-CG 3.66Å; L1148-F1188 HydrophobicContact CD1-CZ 4.06Å; L1148-F1188 HydrophobicContact CG-CE1 4.32Å; L1148-F1188 HydrophobicContact CG-CZ 4.34Å; C1184-F1188 PolarHBondContact O-N 3.46Å; C1184-F1188 VanDerWaalsContact O-N 3.1Å; V1185-F1188 WeakPolarHBondContact O-CB 3.14Å; V1185-F1188 PolarHBondContact O-N 3.49Å; K1186-F1188 VanDerWaalsContact C-N 3.27Å; K1186-F1188 PolarHBondContact O-N 3.32Å; F1188-C1190 VanDerWaalsContact C-N 3.3Å; F1188-C1190 PolarHBondContact O-N 3.44Å; F1188-H1191 PolarHBondContact O-N 2.96Å; F1188-H1192 HydrophobicContact CD2-CB 4.46Å; F1188-H1192 AromaticContact CD2-CD2 3.84Å; F1188-H1192 HydrophobicContact CE2-CB 4.13Å; F1188-H1192 AromaticContact CE2-CD2 3.44Å; F1188-H1192 VanDerWaalsContact CE2-CD2 3.44Å; F1188-H1192 WeakPolarHBondContact CE2-CD2 3.28Å; F1188-H1192 AromaticContact CE2-CG 3.79Å; F1188-H1192 HydrophobicContact CZ-CB 4.24Å; F1188-H1192 WeakPolarHBondContact O-CB 3.36Å; F1188-H1192 PolarHBondContact O-N 2.95Å
1189	F	53.2	Low	51.3	Low	31 Å²	31	60.2 Å²	60.2	14%	0.136	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-33.1	-179.9	-75.8	-62.5	0	0	0	113.1	T1176 V1185 K1186 L1195 L1216	T1176-F1189 HydrophobicContact CG2-CE1 4.43Å; T1176-F1189 HydrophobicContact CG2-CE2 3.93Å; T1176-F1189 HydrophobicContact CG2-CZ 3.46Å; T1176-F1189 VanDerWaalsContact CG2-CZ 3.46Å; V1185-F1189 HydrophobicContact CG1-CD2 3.62Å; V1185-F1189 HydrophobicContact CG1-CE2 3.36Å; V1185-F1189 VanDerWaalsContact O-CD2 3.24Å; V1185-F1189 WeakPolarHBondContact O-CD2 3.22Å; V1185-F1189 PolarHBondContact O-N 3Å; K1186-F1189 PolarHBondContact O-N 2.9Å; F1189-L1195 HydrophobicContact CD1-CD1 3.85Å; F1189-L1195 HydrophobicContact CE1-CD1 3.97Å; F1189-L1216 HydrophobicContact CD1-CD2 4.36Å
1190	C	48.5	Very low	50.3	Low	72 Å²	72	61.4 Å²	61.4	49%	0.486	31%	0.311	S	S	.	.	H	α-helix	trans	-74.9	-33.3	176.9	-65.9	0	0	0	0	113.9	K1186 F1188	K1186-C1190 WeakPolarHBondContact O-CB 3.43Å; K1186-C1190 PolarHBondContact O-N 2.96Å; K1186-C1190 PolarHBondContact O-SG 3.19Å; F1188-C1190 VanDerWaalsContact C-N 3.3Å; F1188-C1190 PolarHBondContact O-N 3.44Å
1191	H	45.7	Very low	49.5	Very low	131 Å²	131	69 Å²	69	61%	0.606	34%	0.339	S	S	*	.	H	α-helix	trans	-98	-24.9	-172.9	-75.4	-59.3	0	0	0	115	T1187 F1188 R1193	T1187-H1191 WeakPolarHBondContact O-CB 3.25Å; T1187-H1191 PolarHBondContact O-CD2 3.49Å; T1187-H1191 VanDerWaalsContact O-CD2 3.26Å; T1187-H1191 PolarHBondContact O-N 3.07Å; F1188-H1191 PolarHBondContact O-N 2.96Å; H1191-R1193 PolarHBondContact O-N 2.99Å
1192	H	42.8	Very low	48.9	Very low	72 Å²	72	64.3 Å²	64.3	33%	0.333	32%	0.321	S	S	.	.			trans	-86	115.7	-174	-121.1	-83.3	0	0	0	112.8	T1145 F1188 G1194	T1145-H1192 WeakPolarHBondContact CG2-NE2 3.46Å; F1188-H1192 HydrophobicContact CD2-CB 4.46Å; F1188-H1192 AromaticContact CD2-CD2 3.84Å; F1188-H1192 HydrophobicContact CE2-CB 4.13Å; F1188-H1192 AromaticContact CE2-CD2 3.44Å; F1188-H1192 VanDerWaalsContact CE2-CD2 3.44Å; F1188-H1192 WeakPolarHBondContact CE2-CD2 3.28Å; F1188-H1192 AromaticContact CE2-CG 3.79Å; F1188-H1192 HydrophobicContact CZ-CB 4.24Å; F1188-H1192 WeakPolarHBondContact O-CB 3.36Å; F1188-H1192 PolarHBondContact O-N 2.95Å; H1192-G1194 PolarHBondContact O-N 3.46Å
1193	R	39.2	Very low	48.3	Very low	226 Å²	226	63.5 Å²	63.5	85%	0.853	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	13.8	175.8	-67.1	-178	172.4	-170.3	-6.4	115.7	H1191 L1223	H1191-R1193 PolarHBondContact O-N 2.99Å; R1193-L1223 HydrophobicContact CB-CD2 4.45Å
1194	G	39.5	Very low	47.9	Very low	16 Å²	16	60.3 Å²	60.3	17%	0.165	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-17.3	-151.7	0	0	0	0	0	118	H1192 T1196	H1192-G1194 PolarHBondContact O-N 3.46Å; G1194-T1196 PolarHBondContact O-N 3.38Å
1195	L	45.5	Very low	47.3	Very low	41 Å²	41	65 Å²	65	22%	0.215	33%	0.326	C	S	.	.			trans	-60.5	107.9	177	-78.6	172.7	0	0	0	109	F1189 M1199 I1203 L1216	F1189-L1195 HydrophobicContact CD1-CD1 3.85Å; F1189-L1195 HydrophobicContact CE1-CD1 3.97Å; L1195-M1199 HydrophobicContact CD2-CB 4.21Å; L1195-M1199 HydrophobicContact CD2-CE 3.72Å; L1195-M1199 HydrophobicContact CD2-SD 4.42Å; L1195-I1203 HydrophobicContact CD2-CD1 4.31Å; L1195-L1216 HydrophobicContact CD1-CD2 3.85Å
1196	T	45.9	Very low	46.8	Very low	41 Å²	41	68.9 Å²	68.9	25%	0.252	35%	0.346	S	S	.	.			trans	-58	143.8	175.4	60.4	0	0	0	0	108.8	G1194 K1198 M1199 F1200	G1194-T1196 PolarHBondContact O-N 3.38Å; T1196-K1198 PolarHBondContact O-N 3.3Å; T1196-M1199 PolarHBondContact O-N 3.44Å; T1196-M1199 PolarHBondContact OG1-N 3.35Å; T1196-F1200 PolarHBondContact O-N 2.98Å; T1196-F1200 VanDerWaalsContact O-N 3.08Å
1197	P	43.8	Very low	46.5	Very low	89 Å²	89	66.3 Å²	66.3	58%	0.578	34%	0.335	S	S	*	.	H	α-helix	trans	-52.6	-24.6	176.7	-28.8	34.3	0	0	0	113.5	R1201	P1197-R1201 WeakPolarHBondContact O-CG 3.43Å; P1197-R1201 PolarHBondContact O-N 3.15Å
1198	K	43.5	Very low	46.3	Very low	142 Å²	142	71.2 Å²	71.2	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-72	-41.1	173.7	-71.7	-175.5	177.5	179.9	0	113.5	T1196 F1200 S1202	T1196-K1198 PolarHBondContact O-N 3.3Å; K1198-F1200 VanDerWaalsContact C-N 3.34Å; K1198-S1202 WeakPolarHBondContact O-CB 3.35Å; K1198-S1202 PolarHBondContact O-N 3.47Å; K1198-S1202 PolarHBondContact O-OG 3.16Å
1199	M	44.1	Very low	45.9	Very low	8 Å²	8	72.2 Å²	72.2	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-43	172.7	-78.7	176.6	69.5	0	0	110.1	E1152 F1155 Y1168 L1172 L1195 T1196 S1202 I1203	E1152-M1199 HydrophobicContact CG-SD 4.25Å; F1155-M1199 HydrophobicContact CD1-CG 3.65Å; F1155-M1199 HydrophobicContact CD1-SD 3.6Å; F1155-M1199 HydrophobicContact CE1-CG 3.3Å; F1155-M1199 HydrophobicContact CE1-SD 3.93Å; F1155-M1199 HydrophobicContact CG-CG 4.41Å; F1155-M1199 HydrophobicContact CG-SD 4.19Å; F1155-M1199 HydrophobicContact CZ-CG 3.78Å; Y1168-M1199 HydrophobicContact CE1-CE 4.26Å; L1172-M1199 HydrophobicContact CD2-CE 3.53Å; L1195-M1199 HydrophobicContact CD2-CB 4.21Å; L1195-M1199 HydrophobicContact CD2-CE 3.72Å; L1195-M1199 HydrophobicContact CD2-SD 4.42Å; T1196-M1199 PolarHBondContact O-N 3.44Å; T1196-M1199 PolarHBondContact OG1-N 3.35Å; M1199-S1202 PolarHBondContact O-N 3.4Å; M1199-S1202 VanDerWaalsContact O-N 3.11Å; M1199-I1203 VanDerWaalsContact O-CG1 3.3Å; M1199-I1203 WeakPolarHBondContact O-CG1 3.31Å; M1199-I1203 PolarHBondContact O-N 3.44Å
1200	F	48.3	Very low	45.3	Very low	24 Å²	24	75.6 Å²	75.6	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-53.3	176.2	-167.3	-84.9	0	0	0	111.8	T1196 K1198 S1202 I1203 A1204 L1216 E1220	T1196-F1200 PolarHBondContact O-N 2.98Å; T1196-F1200 VanDerWaalsContact O-N 3.08Å; K1198-F1200 VanDerWaalsContact C-N 3.34Å; F1200-S1202 VanDerWaalsContact C-N 3.25Å; F1200-S1202 PolarHBondContact O-N 3.02Å; F1200-I1203 PolarHBondContact O-N 3.48Å; F1200-I1203 VanDerWaalsContact O-N 3.15Å; F1200-A1204 HydrophobicContact CD1-CB 4.44Å; F1200-A1204 HydrophobicContact CE1-CB 4.39Å; F1200-A1204 VanDerWaalsContact O-CB 3.29Å; F1200-A1204 WeakPolarHBondContact O-CB 2.89Å; F1200-A1204 PolarHBondContact O-N 2.96Å; F1200-L1216 HydrophobicContact CD2-CB 4.46Å; F1200-L1216 HydrophobicContact CD2-CD2 4.48Å; F1200-L1216 HydrophobicContact CE2-CB 3.59Å; F1200-L1216 HydrophobicContact CE2-CD2 4.35Å; F1200-L1216 HydrophobicContact CE2-CG 4.43Å; F1200-L1216 WeakPolarHBondContact CE2-O 3.21Å; F1200-L1216 HydrophobicContact CZ-CB 4Å; F1200-E1220 HydrophobicContact CD2-CG 4.31Å; F1200-E1220 HydrophobicContact CE2-CB 4.06Å; F1200-E1220 HydrophobicContact CE2-CG 4.11Å; F1200-E1220 HydrophobicContact CZ-CB 4.17Å; F1200-E1220 HydrophobicContact CZ-CG 4.3Å
1201	R	43.6	Very low	45	Very low	168 Å²	168	74 Å²	74	63%	0.634	39%	0.385	S	S	*	.	H	α-helix	trans	-55.7	-39.8	173.9	-78.2	-174.7	-169.1	172.4	2.3	112.6	P1197 T1205	P1197-R1201 WeakPolarHBondContact O-CG 3.43Å; P1197-R1201 PolarHBondContact O-N 3.15Å; R1201-T1205 VanDerWaalsContact O-CB 3.29Å; R1201-T1205 WeakPolarHBondContact O-CB 3.21Å; R1201-T1205 WeakPolarHBondContact O-CG2 3.1Å; R1201-T1205 PolarHBondContact O-N 3.46Å; R1201-T1205 PolarHBondContact O-OG1 3.2Å
1202	S	46.1	Very low	44.9	Very low	28 Å²	28	67.9 Å²	67.9	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-69.2	-37.4	-180	-52.5	0	0	0	0	111.9	K1198 M1199 F1200 T1205 I1206	K1198-S1202 WeakPolarHBondContact O-CB 3.35Å; K1198-S1202 PolarHBondContact O-N 3.47Å; K1198-S1202 PolarHBondContact O-OG 3.16Å; M1199-S1202 PolarHBondContact O-N 3.4Å; M1199-S1202 VanDerWaalsContact O-N 3.11Å; F1200-S1202 VanDerWaalsContact C-N 3.25Å; F1200-S1202 PolarHBondContact O-N 3.02Å; S1202-T1205 WeakPolarHBondContact CA-OG1 3.24Å; S1202-T1205 PolarHBondContact O-OG1 3.08Å; S1202-I1206 WeakPolarHBondContact O-CD1 3.21Å; S1202-I1206 WeakPolarHBondContact O-CG1 3.34Å; S1202-I1206 PolarHBondContact O-N 3.36Å
1203	I	48.7	Very low	45	Very low	3 Å²	3	67.1 Å²	67.1	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-72.7	-44.4	176.6	-63.4	162.5	0	0	0	110	L1172 V1173 L1195 M1199 F1200 T1205 I1206 S1207 V1212 L1216	L1172-I1203 HydrophobicContact CD2-CD1 3.89Å; L1172-I1203 HydrophobicContact CD2-CG1 4.3Å; V1173-I1203 HydrophobicContact CG2-CG1 4.46Å; L1195-I1203 HydrophobicContact CD2-CD1 4.31Å; M1199-I1203 VanDerWaalsContact O-CG1 3.3Å; M1199-I1203 WeakPolarHBondContact O-CG1 3.31Å; M1199-I1203 PolarHBondContact O-N 3.44Å; F1200-I1203 PolarHBondContact O-N 3.48Å; F1200-I1203 VanDerWaalsContact O-N 3.15Å; I1203-T1205 VanDerWaalsContact C-N 3.35Å; I1203-T1205 PolarHBondContact O-N 3.25Å; I1203-I1206 PolarHBondContact O-N 3.24Å; I1203-S1207 VanDerWaalsContact O-CB 3.28Å; I1203-S1207 WeakPolarHBondContact O-CB 3.43Å; I1203-S1207 PolarHBondContact O-N 3.46Å; I1203-V1212 HydrophobicContact CG2-CG1 4.41Å; I1203-L1216 HydrophobicContact CB-CD1 4.48Å; I1203-L1216 HydrophobicContact CG2-CD1 3.63Å
1204	A	47.1	Very low	45.1	Very low	34 Å²	34	60.6 Å²	60.6	28%	0.281	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-31.6	-180	0	0	0	0	0	113.4	F1200 I1206 L1213	F1200-A1204 HydrophobicContact CD1-CB 4.44Å; F1200-A1204 HydrophobicContact CE1-CB 4.39Å; F1200-A1204 VanDerWaalsContact O-CB 3.29Å; F1200-A1204 WeakPolarHBondContact O-CB 2.89Å; F1200-A1204 PolarHBondContact O-N 2.96Å; A1204-I1206 VanDerWaalsContact C-N 3.34Å; A1204-L1213 HydrophobicContact CB-CD2 3.76Å
1205	T	46.9	Very low	45.3	Very low	112 Å²	112	61.9 Å²	61.9	69%	0.687	34%	0.336	S	S	*	.	H	α-helix	trans	-75.7	-20.9	175.8	45.7	0	0	0	0	113.5	R1201 S1202 I1203	R1201-T1205 VanDerWaalsContact O-CB 3.29Å; R1201-T1205 WeakPolarHBondContact O-CB 3.21Å; R1201-T1205 WeakPolarHBondContact O-CG2 3.1Å; R1201-T1205 PolarHBondContact O-N 3.46Å; R1201-T1205 PolarHBondContact O-OG1 3.2Å; S1202-T1205 WeakPolarHBondContact CA-OG1 3.24Å; S1202-T1205 PolarHBondContact O-OG1 3.08Å; I1203-T1205 VanDerWaalsContact C-N 3.35Å; I1203-T1205 PolarHBondContact O-N 3.25Å
1206	I	47.7	Very low	45.2	Very low	82 Å²	82	60.5 Å²	60.5	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-106.1	-33.7	-174.7	-60	170.3	0	0	0	111.4	V1169 V1173 S1202 I1203 A1204 N1208	V1169-I1206 HydrophobicContact CG1-CD1 3.37Å; V1173-I1206 HydrophobicContact CB-CG2 4.4Å; V1173-I1206 HydrophobicContact CG1-CG2 4.01Å; V1173-I1206 HydrophobicContact CG2-CB 4.13Å; V1173-I1206 HydrophobicContact CG2-CD1 4.48Å; V1173-I1206 HydrophobicContact CG2-CG2 4.06Å; S1202-I1206 WeakPolarHBondContact O-CD1 3.21Å; S1202-I1206 WeakPolarHBondContact O-CG1 3.34Å; S1202-I1206 PolarHBondContact O-N 3.36Å; I1203-I1206 PolarHBondContact O-N 3.24Å; A1204-I1206 VanDerWaalsContact C-N 3.34Å; I1206-N1208 PolarHBondContact O-N 2.9Å
1207	S	48.1	Very low	45	Very low	3 Å²	3	63.1 Å²	63.1	2%	0.021	34%	0.341	C	S	.	.			trans	-81.4	118.5	-177.1	-166.4	0	0	0	0	111.4	E1177 I1203 S1209	E1177-S1207 PolarHBondContact OE1-OG 2.86Å; I1203-S1207 VanDerWaalsContact O-CB 3.28Å; I1203-S1207 WeakPolarHBondContact O-CB 3.43Å; I1203-S1207 PolarHBondContact O-N 3.46Å; S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 3.17Å; S1207-S1209 PolarHBondContact OG-N 2.95Å
1208	N	49.5	Very low	44.9	Very low	156 Å²	156	61.8 Å²	61.8	83%	0.834	33%	0.328	S	S	*	.			trans	-83.9	3.6	172.6	-72.2	-19.6	0	0	0	112.9	I1206 P1210	I1206-N1208 PolarHBondContact O-N 2.9Å; N1208-P1210 WeakPolarHBondContact O-CD 3.45Å
1209	S	45.7	Very low	44.7	Very low	38 Å²	38	55.8 Å²	55.8	27%	0.266	31%	0.307	S	S	.	.			trans	-88.6	114.1	-175.3	178.1	0	0	0	0	111.5	S1207 A1211 V1212 L1213	S1207-S1209 VanDerWaalsContact C-N 3.25Å; S1207-S1209 PolarHBondContact O-N 3.17Å; S1207-S1209 PolarHBondContact OG-N 2.95Å; S1209-A1211 PolarHBondContact O-N 3.11Å; S1209-V1212 PolarHBondContact O-N 3.34Å; S1209-V1212 VanDerWaalsContact O-N 3.15Å; S1209-L1213 PolarHBondContact O-N 2.91Å; S1209-L1213 VanDerWaalsContact O-N 3.12Å
1210	P	40.7	Very low	44.2	Very low	101 Å²	101	57.6 Å²	57.6	66%	0.656	32%	0.315	S	S	*	.	H	α-helix	trans	-60.6	-32.2	178.1	-21.3	32.7	0	0	0	112.6	N1208 L1213 F1214	N1208-P1210 WeakPolarHBondContact O-CD 3.45Å; P1210-L1213 PolarHBondContact O-N 2.95Å; P1210-F1214 VanDerWaalsContact O-CB 3.32Å; P1210-F1214 WeakPolarHBondContact O-CB 3.46Å; P1210-F1214 PolarHBondContact O-N 3.22Å
1211	A	43.4	Very low	43.7	Very low	38 Å²	38	59.5 Å²	59.5	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-67	-39.6	177.7	0	0	0	0	0	112.2	S1209 F1214 D1215	S1209-A1211 PolarHBondContact O-N 3.11Å; A1211-F1214 PolarHBondContact O-N 2.95Å; A1211-D1215 WeakPolarHBondContact O-CB 3.48Å; A1211-D1215 PolarHBondContact O-N 2.98Å
1212	V	44.1	Very low	43.4	Very low	3 Å²	3	55.2 Å²	55.2	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-43.5	175.2	173.8	0	0	0	0	109.8	E1177 V1180 I1203 S1209 L1216	E1177-V1212 HydrophobicContact CG-CG2 4.43Å; V1180-V1212 HydrophobicContact CG1-CG2 4.25Å; I1203-V1212 HydrophobicContact CG2-CG1 4.41Å; S1209-V1212 PolarHBondContact O-N 3.34Å; S1209-V1212 VanDerWaalsContact O-N 3.15Å; V1212-L1216 HydrophobicContact CG1-CD1 3.61Å; V1212-L1216 HydrophobicContact CG1-CG 4.36Å; V1212-L1216 WeakPolarHBondContact O-CB 3.49Å; V1212-L1216 VanDerWaalsContact O-CD1 3.29Å; V1212-L1216 WeakPolarHBondContact O-CD1 3.4Å; V1212-L1216 WeakPolarHBondContact O-CG 3.27Å; V1212-L1216 PolarHBondContact O-N 2.92Å
1213	L	43.6	Very low	42.8	Very low	56 Å²	56	57.6 Å²	57.6	29%	0.293	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-40.2	175.4	-68.9	169.7	0	0	0	112.4	A1204 S1209 P1210 L1216 L1217	A1204-L1213 HydrophobicContact CB-CD2 3.76Å; S1209-L1213 PolarHBondContact O-N 2.91Å; S1209-L1213 VanDerWaalsContact O-N 3.12Å; P1210-L1213 PolarHBondContact O-N 2.95Å; L1213-L1216 PolarHBondContact O-N 2.97Å; L1213-L1217 VanDerWaalsContact O-CB 3.31Å; L1213-L1217 WeakPolarHBondContact O-CB 3.37Å; L1213-L1217 WeakPolarHBondContact O-CD1 3.13Å; L1213-L1217 VanDerWaalsContact O-CG 3.25Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.22Å
1214	F	42.6	Very low	41.9	Very low	89 Å²	89	61.1 Å²	61.1	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-50	179.9	-164.9	-89.5	0	0	0	112.6	P1210 A1211 L1216 L1217 I1218	P1210-F1214 VanDerWaalsContact O-CB 3.32Å; P1210-F1214 WeakPolarHBondContact O-CB 3.46Å; P1210-F1214 PolarHBondContact O-N 3.22Å; A1211-F1214 PolarHBondContact O-N 2.95Å; F1214-L1216 PolarHBondContact O-N 2.78Å; F1214-L1217 PolarHBondContact O-N 2.77Å; F1214-I1218 HydrophobicContact CD1-CD1 4.03Å; F1214-I1218 HydrophobicContact CE1-CD1 3.86Å; F1214-I1218 PolarHBondContact O-N 3.26Å; F1214-I1218 VanDerWaalsContact O-N 3.16Å
1215	D	43.3	Very low	41.2	Very low	43 Å²	43	67.6 Å²	67.6	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-33.8	176.1	-83	-20.5	0	0	0	110.9	V1180 K1186 A1211	V1180-D1215 HydrophobicContact CG2-CB 4.45Å; K1186-D1215 WeakPolarHBondContact CE-OD2 3.1Å; K1186-D1215 IonicContact NZ-OD1 3.72Å; K1186-D1215 IonicContact NZ-OD2 2.86Å; K1186-D1215 PolarHBondContact NZ-OD2 2.85Å; A1211-D1215 WeakPolarHBondContact O-CB 3.48Å; A1211-D1215 PolarHBondContact O-N 2.98Å
1216	L	43.7	Very low	40.5	Very low	13 Å²	13	67.5 Å²	67.5	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-71.4	-40.9	174.4	-76.6	172.1	0	0	0	113	F1189 L1195 F1200 I1203 V1212 L1213 F1214 I1218 G1219 E1220	F1189-L1216 HydrophobicContact CD1-CD2 4.36Å; L1195-L1216 HydrophobicContact CD1-CD2 3.85Å; F1200-L1216 HydrophobicContact CD2-CB 4.46Å; F1200-L1216 HydrophobicContact CD2-CD2 4.48Å; F1200-L1216 HydrophobicContact CE2-CB 3.59Å; F1200-L1216 HydrophobicContact CE2-CD2 4.35Å; F1200-L1216 HydrophobicContact CE2-CG 4.43Å; F1200-L1216 WeakPolarHBondContact CE2-O 3.21Å; F1200-L1216 HydrophobicContact CZ-CB 4Å; I1203-L1216 HydrophobicContact CB-CD1 4.48Å; I1203-L1216 HydrophobicContact CG2-CD1 3.63Å; V1212-L1216 HydrophobicContact CG1-CD1 3.61Å; V1212-L1216 HydrophobicContact CG1-CG 4.36Å; V1212-L1216 WeakPolarHBondContact O-CB 3.49Å; V1212-L1216 VanDerWaalsContact O-CD1 3.29Å; V1212-L1216 WeakPolarHBondContact O-CD1 3.4Å; V1212-L1216 WeakPolarHBondContact O-CG 3.27Å; V1212-L1216 PolarHBondContact O-N 2.92Å; L1213-L1216 PolarHBondContact O-N 2.97Å; F1214-L1216 PolarHBondContact O-N 2.78Å; L1216-I1218 VanDerWaalsContact C-N 3.33Å; L1216-I1218 PolarHBondContact O-N 3Å; L1216-G1219 WeakPolarHBondContact O-CA 3.32Å; L1216-G1219 PolarHBondContact O-N 3.21Å; L1216-E1220 PolarHBondContact O-N 3.36Å
1217	L	40.9	Very low	39.4	Very low	95 Å²	95	66.3 Å²	66.3	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-38.7	177.3	-86.2	161.6	0	0	0	112.3	L1213 F1214 G1219 E1220 S1221	L1213-L1217 VanDerWaalsContact O-CB 3.31Å; L1213-L1217 WeakPolarHBondContact O-CB 3.37Å; L1213-L1217 WeakPolarHBondContact O-CD1 3.13Å; L1213-L1217 VanDerWaalsContact O-CG 3.25Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.22Å; F1214-L1217 PolarHBondContact O-N 2.77Å; L1217-G1219 PolarHBondContact O-N 2.79Å; L1217-E1220 PolarHBondContact O-N 2.9Å; L1217-S1221 PolarHBondContact O-N 3.45Å
1218	I	42.2	Very low	38.5	Very low	61 Å²	61	71 Å²	71	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-57.5	-42.3	172.3	-65.9	171.4	0	0	0	109.8	F1214 L1216 S1221	F1214-I1218 HydrophobicContact CD1-CD1 4.03Å; F1214-I1218 HydrophobicContact CE1-CD1 3.86Å; F1214-I1218 PolarHBondContact O-N 3.26Å; F1214-I1218 VanDerWaalsContact O-N 3.16Å; L1216-I1218 VanDerWaalsContact C-N 3.33Å; L1216-I1218 PolarHBondContact O-N 3Å; I1218-S1221 PolarHBondContact O-OG 3.11Å
1219	G	39.5	Very low	37.3	Very low	16 Å²	16	72 Å²	72	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-63.3	-39.5	175.3	0	0	0	0	0	114.4	L1216 L1217	L1216-G1219 WeakPolarHBondContact O-CA 3.32Å; L1216-G1219 PolarHBondContact O-N 3.21Å; L1217-G1219 PolarHBondContact O-N 2.79Å
1220	E	33.6	Very low	36.4	Very low	46 Å²	46	74 Å²	74	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-75.4	-33.2	-178.8	-129.4	-165.7	-168	0	0	113.2	F1200 L1216 L1217 I1222 L1223	F1200-E1220 HydrophobicContact CD2-CG 4.31Å; F1200-E1220 HydrophobicContact CE2-CB 4.06Å; F1200-E1220 HydrophobicContact CE2-CG 4.11Å; F1200-E1220 HydrophobicContact CZ-CB 4.17Å; F1200-E1220 HydrophobicContact CZ-CG 4.3Å; L1216-E1220 PolarHBondContact O-N 3.36Å; L1217-E1220 PolarHBondContact O-N 2.9Å; E1220-I1222 PolarHBondContact O-N 3.01Å; E1220-I1222 VanDerWaalsContact O-N 3.1Å; E1220-L1223 PolarHBondContact O-N 3.33Å
1221	S	36.4	Very low	36	Very low	64 Å²	64	71 Å²	71	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-22.5	176	71.6	0	0	0	0	113.5	L1217 I1218	L1217-S1221 PolarHBondContact O-N 3.45Å; I1218-S1221 PolarHBondContact O-OG 3.11Å
1222	I	37.1	Very low	35.3	Very low	79 Å²	79	79.2 Å²	79.2	41%	0.405	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.5	176.5	-62.1	168.9	0	0	0	111.9	E1220 T1301	E1220-I1222 PolarHBondContact O-N 3.01Å; E1220-I1222 VanDerWaalsContact O-N 3.1Å; I1222-T1301 HydrophobicContact CD1-CG2 4.15Å
1223	L	34.1	Very low	34.4	Very low	78 Å²	78	83.6 Å²	83.6	41%	0.408	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-19.9	-166.4	-77.2	166.9	0	0	0	116.2	R1193 E1220 E1225	R1193-L1223 HydrophobicContact CB-CD2 4.45Å; E1220-L1223 PolarHBondContact O-N 3.33Å; L1223-E1225 PolarHBondContact O-N 3.12Å; L1223-E1225 VanDerWaalsContact O-N 3.13Å
1224	L	31.1	Very low	33.5	Very low	76 Å²	76	84.6 Å²	84.6	40%	0.398	47%	0.472	S	S	.	.			trans	-85.4	87.6	-173.6	-75.2	167.4	0	0	0	113.2	A1231	L1224-A1231 HydrophobicContact CD1-CB 4.07Å
1225	E	31	Very low	32.8	Very low	170 Å²	170	85.4 Å²	85.4	79%	0.794	48%	0.484	S	S	*	.	S	Bend	trans	-80.2	-13.1	167	-103.1	-178.1	176.5	0	0	113.9	L1223 C1304	L1223-E1225 PolarHBondContact O-N 3.12Å; L1223-E1225 VanDerWaalsContact O-N 3.13Å; E1225-C1304 VanDerWaalsContact CG-SG 3.59Å
1226	S	32.3	Very low	31.8	Very low	110 Å²	110	92 Å²	92	77%	0.769	51%	0.514	S	S	*	.	S	Bend	trans	-135.5	0.9	-163.4	58.8	0	0	0	0	120.6
1227	S	25.8	Very low	31.1	Very low	57 Å²	57	98.6 Å²	98.6	40%	0.399	55%	0.548	S	S	.	.			trans	-170.5	98.2	164.2	43.6	0	0	0	0	114.2	Q1229	S1227-Q1229 VanDerWaalsContact C-N 3.27Å; S1227-Q1229 PolarHBondContact O-N 2.7Å
1228	P	28.2	Very low	30.3	Very low	103 Å²	103	99.8 Å²	99.8	67%	0.669	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-11.6	-178	-19.5	31.5	0	0	0	115.9	V1230	P1228-V1230 VanDerWaalsContact C-N 3.33Å; P1228-V1230 PolarHBondContact O-N 2.88Å
1229	Q	25	Very low	29.5	Very low	177 Å²	177	102 Å²	102	83%	0.827	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-15.2	-171.7	-70	177.1	-14.6	0	0	114.3	S1227 S1233	S1227-Q1229 VanDerWaalsContact C-N 3.27Å; S1227-Q1229 PolarHBondContact O-N 2.7Å; Q1229-S1233 PolarHBondContact O-OG 3.46Å
1230	V	26.3	Very low	29	Very low	79 Å²	79	108 Å²	108	48%	0.479	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.3	-22.3	-172.7	-176.6	0	0	0	0	113.3	P1228	P1228-V1230 VanDerWaalsContact C-N 3.33Å; P1228-V1230 PolarHBondContact O-N 2.88Å
1231	A	31.3	Very low	28.6	Very low	38 Å²	38	111.8 Å²	111.8	31%	0.314	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-36.8	-173.4	0	0	0	0	0	113.7	L1224	L1224-A1231 HydrophobicContact CD1-CB 4.07Å
1232	Y	29.3	Very low	28.2	Very low	211 Å²	211	117.7 Å²	117.7	83%	0.827	66%	0.663	S	S	*	*	S	Bend	trans	-94.5	-15.2	-172.3	-71.7	-78.3	0	0	0	114.8
1233	S	25.5	Very low	27.6	Very low	94 Å²	94	120.5 Å²	120.5	66%	0.657	68%	0.684	S	S	*	*	S	Bend	trans	-84.4	-11	177.7	50.8	0	0	0	0	113.9	Q1229	Q1229-S1233 PolarHBondContact O-OG 3.46Å
1234	A	25.5	Very low	27.2	Very low	77 Å²	77	125.6 Å²	125.6	64%	0.636	71%	0.705	S	S	*	*	S	Bend	trans	-100.7	-6.1	-168.3	0	0	0	0	0	115.4	E1236	A1234-E1236 PolarHBondContact O-N 2.74Å
1235	V	27.5	Very low	26.9	Very low	107 Å²	107	129.2 Å²	129.2	65%	0.648	73%	0.725	S	S	*	*			trans	-95.9	78.5	175.6	-170.7	0	0	0	0	108.7	L1237	V1235-L1237 PolarHBondContact O-N 3.03Å
1236	E	22.7	Very low	26.6	Very low	182 Å²	182	129.3 Å²	129.3	85%	0.85	73%	0.731	S	S	*	*			trans	-70.1	103.9	160.5	-77.6	-179.2	167.7	0	0	107.3	A1234	A1234-E1236 PolarHBondContact O-N 2.74Å
1237	L	27.4	Very low	26.3	Very low	150 Å²	150	132.9 Å²	132.9	79%	0.785	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-61.5	126.8	168.4	-72.9	162	0	0	0	107.6	V1235 S1239	V1235-L1237 PolarHBondContact O-N 3.03Å; L1237-S1239 PolarHBondContact O-N 3.3Å
1238	P	25.8	Very low	26.2	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.9	-174.1	20.1	-29.8	0	0	0	110.8	T1240	P1238-T1240 PolarHBondContact O-N 2.97Å
1239	S	25	Very low	26	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.1	120.9	178.2	54.4	0	0	0	0	110.6	L1237 T1241	L1237-S1239 PolarHBondContact O-N 3.3Å; S1239-T1241 PolarHBondContact O-N 3.2Å
1240	T	28.5	Very low	26	Very low	143 Å²	143	137.2 Å²	137.2	88%	0.877	74%	0.743	S	S	*	*			trans	-67.2	110.9	177.4	40.6	0	0	0	0	111.1	P1238	P1238-T1240 PolarHBondContact O-N 2.97Å
1241	T	26.1	Very low	25.8	Very low	124 Å²	124	143.9 Å²	143.9	76%	0.761	76%	0.761	S	S	*	*			trans	-91.8	109.2	157.8	48.6	0	0	0	0	108.7	S1239 T1243	S1239-T1241 PolarHBondContact O-N 3.2Å; T1241-T1243 PolarHBondContact O-N 3Å
1242	E	26.3	Very low	25.6	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	78%	0.783	S	S	*	*			trans	19	93.1	151.5	-62.8	177.9	173.3	0	0	117.3
1243	T	26.1	Very low	25.4	Very low	137 Å²	137	144.9 Å²	144.9	84%	0.84	77%	0.768	S	S	*	*			trans	-148.5	103.7	141.9	48	0	0	0	0	108.2	T1241	T1241-T1243 PolarHBondContact O-N 3Å
1244	E	24.9	Very low	25.3	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	77%	0.772	S	S	*	*			trans	-58.2	150.1	165.9	-66.4	177.6	149.2	0	0	109.7
1245	D	25.1	Very low	25.2	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	78%	0.779	S	S	*	*			trans	78.3	82.3	176	-56.7	-25.8	0	0	0	117.5
1246	L	24.4	Very low	25.1	Very low	173 Å²	173	149.2 Å²	149.2	91%	0.906	79%	0.788	S	S	*	*				-172.9	117.2	129.6	-96.2	148.4	0	0	0	110.3	P1248	L1246-P1248 WeakPolarHBondContact O-CD 3.36Å
1247	H	25	Very low	25.2	Very low	184 Å²	184	146.5 Å²	146.5	85%	0.852	79%	0.789	S	S	*	*			trans	-52.2	120.2	175.1	-77.4	-71.5	0	0	0	112.2	I1249	H1247-I1249 PolarHBondContact O-N 3.48Å
1248	P	25.3	Very low	25.3	Very low	85 Å²	85	149 Å²	149	55%	0.552	80%	0.797	S	S	*	*			trans	-77.8	124.1	176.2	-1.5	17.3	0	0	0	110.4	L1246 Y1250	L1246-P1248 WeakPolarHBondContact O-CD 3.36Å; P1248-Y1250 HydrophobicContact CB-CD2 4.23Å; P1248-Y1250 HydrophobicContact CB-CE2 3.56Å; P1248-Y1250 HydrophobicContact CG-CE2 3.84Å; P1248-Y1250 WeakPolarHBondContact O-CD2 3.26Å; P1248-Y1250 PolarHBondContact O-N 3.16Å
1249	I	22.5	Very low	25.4	Very low	144 Å²	144	145.3 Å²	145.3	74%	0.738	78%	0.78	S	S	*	*			trans	-75.2	105.1	176.5	-63	167.1	0	0	0	108.2	H1247 Y1251	H1247-I1249 PolarHBondContact O-N 3.48Å; I1249-Y1251 HydrophobicContact CG2-CD2 3.81Å; I1249-Y1251 HydrophobicContact CG2-CE2 3.54Å
1250	Y	25	Very low	25.8	Very low	200 Å²	200	146 Å²	146	78%	0.784	78%	0.78	S	S	*	*			trans	-97.1	110.9	179.1	-70.2	-79.4	0	0	0	111.7	P1248	P1248-Y1250 HydrophobicContact CB-CD2 4.23Å; P1248-Y1250 HydrophobicContact CB-CE2 3.56Å; P1248-Y1250 HydrophobicContact CG-CE2 3.84Å; P1248-Y1250 WeakPolarHBondContact O-CD2 3.26Å; P1248-Y1250 PolarHBondContact O-N 3.16Å
1251	Y	23.5	Very low	26	Very low	219 Å²	219	146.6 Å²	146.6	86%	0.859	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-95.3	116.2	170.9	-84.1	-85.4	0	0	0	109.9	I1249	I1249-Y1251 HydrophobicContact CG2-CD2 3.81Å; I1249-Y1251 HydrophobicContact CG2-CE2 3.54Å
1252	Y	26.3	Very low	26.3	Very low	198 Å²	198	148.5 Å²	148.5	78%	0.776	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-102.1	140.8	171.6	-139.5	-90.6	0	0	0	111.6
1253	S	24.5	Very low	26.5	Very low	72 Å²	72	142.3 Å²	142.3	50%	0.503	75%	0.754	S	S	.	*	P	Polyproline II helix	trans	-90.9	155	-176.6	48.4	0	0	0	0	113.4
1254	C	23.9	Very low	27	Very low	112 Å²	112	139.9 Å²	139.9	76%	0.757	74%	0.742	S	S	*	*			trans	77.9	91.9	165	-63.9	0	0	0	0	115.6	H1256	C1254-H1256 PolarHBondContact O-N 2.96Å; C1254-H1256 VanDerWaalsContact O-N 3.14Å
1255	G	24	Very low	27.6	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	73%	0.729	S	S	*	*			trans	-58.9	112.7	169.9	0	0	0	0	0	111.5
1256	H	24.2	Very low	28	Very low	183 Å²	183	132 Å²	132	85%	0.847	71%	0.705	S	S	*	*				-163.2	138.1	125.2	-92.3	-66.7	0	0	0	107.9	C1254	C1254-H1256 PolarHBondContact O-N 2.96Å; C1254-H1256 VanDerWaalsContact O-N 3.14Å
1257	S	26.3	Very low	28.5	Very low	124 Å²	124	126.7 Å²	126.7	87%	0.867	69%	0.687	S	S	*	*			trans	73.9	136.5	169.5	50.5	0	0	0	0	120.1
1258	Q	28	Very low	29.3	Very low	204 Å²	204	124 Å²	124	95%	0.953	67%	0.673	S	S	*	*	S	Bend	trans	-67.1	127.8	-176.7	-65.2	157.7	-31.9	0	0	111.1
1259	G	28.2	Very low	29.8	Very low	41 Å²	41	123.2 Å²	123.2	42%	0.423	66%	0.664	S	S	.	*			trans	167.9	37	177.1	0	0	0	0	0	113.9	E1261	G1259-E1261 VanDerWaalsContact C-N 3.34Å; G1259-E1261 PolarHBondContact O-N 3.41Å
1260	T	33.8	Very low	30.4	Very low	124 Å²	124	118.2 Å²	118.2	76%	0.761	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-27	-174.3	40.3	0	0	0	0	113.7	C1264	T1260-C1264 PolarHBondContact O-SG 2.73Å
1261	E	33.5	Very low	30.9	Very low	155 Å²	155	114.7 Å²	114.7	72%	0.724	63%	0.632	S	S	*	*	H	α-helix	trans	-85.7	-38.7	-173.4	-157.5	169.7	-167.6	0	0	112.8	G1259 C1264 N1265	G1259-E1261 VanDerWaalsContact C-N 3.34Å; G1259-E1261 PolarHBondContact O-N 3.41Å; E1261-C1264 PolarHBondContact O-N 3.49Å; E1261-N1265 PolarHBondContact O-N 2.65Å; E1261-N1265 VanDerWaalsContact O-N 3.16Å; E1261-N1265 PolarHBondContact O-ND2 2.79Å
1262	E	30.8	Very low	31.5	Very low	163 Å²	163	109.4 Å²	109.4	76%	0.762	62%	0.615	S	S	*	*	H	α-helix	trans	-68	-38.6	177.7	-70	-178.2	166.7	0	0	112.2	N1265 L1266	E1262-N1265 PolarHBondContact O-N 2.83Å; E1262-L1266 WeakPolarHBondContact O-CB 3.41Å; E1262-L1266 PolarHBondContact O-N 3.14Å
1263	A	31.8	Very low	31.8	Very low	60 Å²	60	104.6 Å²	104.6	50%	0.496	60%	0.598	S	S	.	*	H	α-helix	trans	-68.5	-35.8	177.6	0	0	0	0	0	112.8	L1266 A1267	A1263-L1266 PolarHBondContact O-N 3.29Å; A1263-A1267 PolarHBondContact O-N 3.09Å
1264	C	37	Very low	32.3	Very low	86 Å²	86	104.6 Å²	104.6	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-65.4	-44.3	174.2	-75.2	0	0	0	0	111.7	T1260 E1261 L1266 A1267 F1268	T1260-C1264 PolarHBondContact O-SG 2.73Å; E1261-C1264 PolarHBondContact O-N 3.49Å; C1264-L1266 VanDerWaalsContact C-N 3.3Å; C1264-L1266 PolarHBondContact O-N 2.77Å; C1264-A1267 PolarHBondContact O-N 3.38Å; C1264-F1268 PolarHBondContact O-N 3.13Å; C1264-F1268 VanDerWaalsContact O-N 3.15Å
1265	N	35.9	Very low	32.9	Very low	111 Å²	111	106 Å²	106	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-62.5	-38.7	174.5	-73.6	-25.9	0	0	0	111.3	E1261 E1262 F1268 D1269	E1261-N1265 PolarHBondContact O-N 2.65Å; E1261-N1265 VanDerWaalsContact O-N 3.16Å; E1261-N1265 PolarHBondContact O-ND2 2.79Å; E1262-N1265 PolarHBondContact O-N 2.83Å; N1265-F1268 PolarHBondContact O-N 2.83Å; N1265-D1269 WeakPolarHBondContact O-CB 3.29Å; N1265-D1269 PolarHBondContact O-N 2.79Å
1266	L	34.7	Very low	33.4	Very low	60 Å²	60	108.6 Å²	108.6	31%	0.314	60%	0.597	S	S	.	*	H	α-helix	trans	-67.3	-38.1	178.7	-162	78.6	0	0	0	113	E1262 A1263 C1264 D1269 C1270	E1262-L1266 WeakPolarHBondContact O-CB 3.41Å; E1262-L1266 PolarHBondContact O-N 3.14Å; A1263-L1266 PolarHBondContact O-N 3.29Å; C1264-L1266 VanDerWaalsContact C-N 3.3Å; C1264-L1266 PolarHBondContact O-N 2.77Å; L1266-D1269 PolarHBondContact O-N 3.21Å; L1266-C1270 WeakPolarHBondContact O-CB 3.36Å; L1266-C1270 PolarHBondContact O-N 2.73Å; L1266-C1270 PolarHBondContact O-SG 3.03Å
1267	A	35.7	Very low	33.7	Very low	62 Å²	62	102.9 Å²	102.9	51%	0.512	59%	0.588	S	S	.	*	H	α-helix	trans	-66.1	-42	175.5	0	0	0	0	0	111.7	A1263 C1264 D1269 C1270 E1271	A1263-A1267 PolarHBondContact O-N 3.09Å; C1264-A1267 PolarHBondContact O-N 3.38Å; A1267-D1269 VanDerWaalsContact C-N 3.34Å; A1267-D1269 PolarHBondContact O-N 3.35Å; A1267-C1270 WeakPolarHBondContact O-CB 3.48Å; A1267-C1270 PolarHBondContact O-N 3.04Å; A1267-E1271 PolarHBondContact O-N 3.19Å
1268	F	40.2	Very low	33.8	Very low	127 Å²	127	103.8 Å²	103.8	56%	0.557	58%	0.578	S	S	*	*	H	α-helix	trans	-64.3	-39	175.4	-162.9	-95	0	0	0	111.9	C1264 N1265 E1271 Q1272	C1264-F1268 PolarHBondContact O-N 3.13Å; C1264-F1268 VanDerWaalsContact O-N 3.15Å; N1265-F1268 PolarHBondContact O-N 2.83Å; F1268-E1271 PolarHBondContact O-N 3.22Å; F1268-Q1272 HydrophobicContact CE1-CG 4.38Å; F1268-Q1272 PolarHBondContact O-N 3.39Å
1269	D	35.9	Very low	34.2	Very low	69 Å²	69	99.6 Å²	99.6	37%	0.369	58%	0.578	S	S	.	*	H	α-helix	trans	-66.5	-37.8	175.4	-129.4	42.4	0	0	0	112	N1265 L1266 A1267 E1271 K1273	N1265-D1269 WeakPolarHBondContact O-CB 3.29Å; N1265-D1269 PolarHBondContact O-N 2.79Å; L1266-D1269 PolarHBondContact O-N 3.21Å; A1267-D1269 VanDerWaalsContact C-N 3.34Å; A1267-D1269 PolarHBondContact O-N 3.35Å; D1269-E1271 VanDerWaalsContact C-N 3.34Å; D1269-K1273 WeakPolarHBondContact O-CB 3.33Å; D1269-K1273 VanDerWaalsContact O-CG 3.3Å; D1269-K1273 WeakPolarHBondContact O-CG 3.24Å; D1269-K1273 PolarHBondContact O-N 2.98Å; D1269-K1273 IonicContact OD2-NZ 2.92Å; D1269-K1273 PolarHBondContact OD2-NZ 2.8Å
1270	C	35.3	Very low	34.7	Very low	38 Å²	38	101.4 Å²	101.4	26%	0.257	59%	0.585	S	S	.	*	H	α-helix	trans	-63	-40	173.8	-69.9	0	0	0	0	111.8	L1266 A1267 K1273 A1274	L1266-C1270 WeakPolarHBondContact O-CB 3.36Å; L1266-C1270 PolarHBondContact O-N 2.73Å; L1266-C1270 PolarHBondContact O-SG 3.03Å; A1267-C1270 WeakPolarHBondContact O-CB 3.48Å; A1267-C1270 PolarHBondContact O-N 3.04Å; C1270-K1273 PolarHBondContact O-N 3.26Å; C1270-A1274 VanDerWaalsContact O-CB 3.31Å; C1270-A1274 WeakPolarHBondContact O-CB 3Å; C1270-A1274 PolarHBondContact O-N 2.96Å
1271	E	36.7	Very low	35	Very low	127 Å²	127	99.9 Å²	99.9	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-69.4	-43.6	178.6	-162.4	175.8	-161.4	0	0	111.6	A1267 F1268 D1269 K1273 A1274 N1275	A1267-E1271 PolarHBondContact O-N 3.19Å; F1268-E1271 PolarHBondContact O-N 3.22Å; D1269-E1271 VanDerWaalsContact C-N 3.34Å; E1271-K1273 PolarHBondContact O-N 2.97Å; E1271-A1274 PolarHBondContact O-N 3.28Å; E1271-N1275 PolarHBondContact O-N 3Å
1272	Q	35.2	Very low	35.3	Very low	107 Å²	107	94.5 Å²	94.5	50%	0.5	55%	0.55	S	S	.	*	H	α-helix	trans	-62.4	-40.6	172.9	-84.3	-161.4	-6.4	0	0	112.6	F1268 N1275 I1276	F1268-Q1272 HydrophobicContact CE1-CG 4.38Å; F1268-Q1272 PolarHBondContact O-N 3.39Å; Q1272-N1275 PolarHBondContact O-N 2.65Å; Q1272-I1276 WeakPolarHBondContact O-CG1 3.47Å; Q1272-I1276 PolarHBondContact O-N 2.89Å
1273	K	32	Very low	35.7	Very low	98 Å²	98	90.6 Å²	90.6	43%	0.426	54%	0.541	S	S	.	.	H	α-helix	trans	-72.6	-35.1	-179.5	-76.2	168.2	176.7	153	0	112.9	D1269 C1270 E1271 N1275 I1276	D1269-K1273 WeakPolarHBondContact O-CB 3.33Å; D1269-K1273 VanDerWaalsContact O-CG 3.3Å; D1269-K1273 WeakPolarHBondContact O-CG 3.24Å; D1269-K1273 PolarHBondContact O-N 2.98Å; D1269-K1273 IonicContact OD2-NZ 2.92Å; D1269-K1273 PolarHBondContact OD2-NZ 2.8Å; C1270-K1273 PolarHBondContact O-N 3.26Å; E1271-K1273 PolarHBondContact O-N 2.97Å; K1273-N1275 VanDerWaalsContact C-N 3.3Å; K1273-N1275 PolarHBondContact O-N 3.14Å; K1273-I1276 PolarHBondContact O-N 3.07Å; K1273-I1276 VanDerWaalsContact O-N 3.16Å
1274	A	36.3	Very low	36.1	Very low	71 Å²	71	88.4 Å²	88.4	59%	0.587	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-38.6	172.4	0	0	0	0	0	111.6	C1270 E1271 I1276 G1277	C1270-A1274 VanDerWaalsContact O-CB 3.31Å; C1270-A1274 WeakPolarHBondContact O-CB 3Å; C1270-A1274 PolarHBondContact O-N 2.96Å; E1271-A1274 PolarHBondContact O-N 3.28Å; A1274-I1276 PolarHBondContact O-N 3.07Å; A1274-G1277 PolarHBondContact O-N 3.04Å
1275	N	36.6	Very low	36.5	Very low	143 Å²	143	87.2 Å²	87.2	77%	0.765	51%	0.509	S	S	*	.	H	α-helix	trans	-66.3	-20.3	174.8	-81.5	-23.3	0	0	0	114.2	E1271 Q1272 K1273	E1271-N1275 PolarHBondContact O-N 3Å; Q1272-N1275 PolarHBondContact O-N 2.65Å; K1273-N1275 VanDerWaalsContact C-N 3.3Å; K1273-N1275 PolarHBondContact O-N 3.14Å
1276	I	33.9	Very low	36.7	Very low	128 Å²	128	83 Å²	83	66%	0.656	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0.9	178.7	-55.3	163.1	0	0	0	111.9	Q1272 K1273 A1274	Q1272-I1276 WeakPolarHBondContact O-CG1 3.47Å; Q1272-I1276 PolarHBondContact O-N 2.89Å; K1273-I1276 PolarHBondContact O-N 3.07Å; K1273-I1276 VanDerWaalsContact O-N 3.16Å; A1274-I1276 PolarHBondContact O-N 3.07Å
1277	G	30	Very low	36.9	Very low	63 Å²	63	84.9 Å²	84.9	65%	0.649	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	23.1	168.6	0	0	0	0	0	115.9	A1274	A1274-G1277 PolarHBondContact O-N 3.04Å
1278	Q	28.1	Very low	37.3	Very low	143 Å²	143	86.5 Å²	86.5	67%	0.668	49%	0.493	S	S	*	.			trans	-85.8	108.9	169.3	-71.6	-170.9	-11.8	0	0	110.8	S1280	Q1278-S1280 PolarHBondContact O-N 3.28Å
1279	A	37.7	Very low	37.5	Very low	115 Å²	115	83.4 Å²	83.4	95%	0.95	48%	0.482	S	S	*	.			trans	-80.9	37.4	-173.6	0	0	0	0	0	115.3
1280	S	36.9	Very low	37.7	Very low	80 Å²	80	83.9 Å²	83.9	56%	0.559	48%	0.484	S	S	*	.	S	Bend	trans	-125.2	129.9	175	58.1	0	0	0	0	110.7	Q1278	Q1278-S1280 PolarHBondContact O-N 3.28Å
1281	L	40.2	Very low	38.1	Very low	92 Å²	92	85 Å²	85	48%	0.482	49%	0.487	S	S	.	.			trans	-55.1	130.6	174.6	-77.2	161.1	0	0	0	109.5	S1283 F1285 V1286	L1281-S1283 PolarHBondContact O-N 2.73Å; L1281-F1285 HydrophobicContact CD2-CD1 4.23Å; L1281-V1286 HydrophobicContact CB-CG2 4.05Å
1282	P	39.8	Very low	38.4	Very low	42 Å²	42	82 Å²	82	27%	0.273	48%	0.478	S	S	.	.			trans	-58.2	131.6	178.5	-24.9	35	0	0	0	110.3	G1284 F1285 V1286	P1282-G1284 PolarHBondContact O-N 3.48Å; P1282-F1285 PolarHBondContact O-N 3.22Å; P1282-V1286 PolarHBondContact O-N 3.49Å
1283	S	39.6	Very low	38.8	Very low	81 Å²	81	81.8 Å²	81.8	57%	0.566	48%	0.477	S	S	*	.	H	α-helix	trans	-53.5	-28.3	-177.7	54.3	0	0	0	0	113.3	L1281 K1287	L1281-S1283 PolarHBondContact O-N 2.73Å; S1283-K1287 WeakPolarHBondContact O-CB 3.49Å; S1283-K1287 PolarHBondContact O-N 3.22Å
1284	G	41	Very low	39.2	Very low	14 Å²	14	81.2 Å²	81.2	14%	0.144	48%	0.475	C	S	.	.	H	α-helix	trans	-65.6	-43.9	174.5	0	0	0	0	0	113.6	P1282 V1286 K1287 D1288	P1282-G1284 PolarHBondContact O-N 3.48Å; G1284-V1286 VanDerWaalsContact C-N 3.33Å; G1284-V1286 PolarHBondContact O-N 2.87Å; G1284-K1287 PolarHBondContact O-N 3.06Å; G1284-D1288 VanDerWaalsContact O-CB 3.26Å; G1284-D1288 WeakPolarHBondContact O-CB 3.48Å; G1284-D1288 PolarHBondContact O-N 2.72Å
1285	F	44.4	Very low	39.4	Very low	60 Å²	60	80.8 Å²	80.8	26%	0.263	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-41.4	178	-177.5	-100.7	0	0	0	111.8	L1281 P1282 I1289 L1290	L1281-F1285 HydrophobicContact CD2-CD1 4.23Å; P1282-F1285 PolarHBondContact O-N 3.22Å; F1285-I1289 HydrophobicContact CD2-CB 4.41Å; F1285-I1289 HydrophobicContact CD2-CD1 3.74Å; F1285-I1289 HydrophobicContact CE2-CB 4.42Å; F1285-I1289 HydrophobicContact CE2-CD1 3.99Å; F1285-I1289 HydrophobicContact CE2-CG2 4.25Å; F1285-I1289 PolarHBondContact O-N 3.16Å; F1285-L1290 HydrophobicContact CD1-CD1 3.76Å; F1285-L1290 HydrophobicContact CE1-CD1 3.46Å; F1285-L1290 VanDerWaalsContact CE1-CD1 3.46Å; F1285-L1290 HydrophobicContact CE1-CG 4.04Å; F1285-L1290 HydrophobicContact CZ-CD1 4.46Å; F1285-L1290 PolarHBondContact O-N 2.83Å; F1285-L1290 VanDerWaalsContact O-N 3.15Å
1286	V	40.3	Very low	39.8	Very low	24 Å²	24	77.6 Å²	77.6	15%	0.145	46%	0.456	C	S	.	.	I	π-helix	trans	-66.9	-44	176.8	-177.8	0	0	0	0	111	L1281 P1282 G1284 L1291 I1311	L1281-V1286 HydrophobicContact CB-CG2 4.05Å; P1282-V1286 PolarHBondContact O-N 3.49Å; G1284-V1286 VanDerWaalsContact C-N 3.33Å; G1284-V1286 PolarHBondContact O-N 2.87Å; V1286-L1291 WeakPolarHBondContact O-CB 3.49Å; V1286-L1291 PolarHBondContact O-N 2.91Å; V1286-I1311 HydrophobicContact CG1-CG2 4.28Å
1287	K	39.8	Very low	40	Very low	98 Å²	98	75.5 Å²	75.5	43%	0.426	45%	0.446	S	S	.	.	I	π-helix	trans	-74.4	-42.9	-175.2	-174.3	-179.3	177.3	178.7	0	113.5	S1283 G1284 P1292	S1283-K1287 WeakPolarHBondContact O-CB 3.49Å; S1283-K1287 PolarHBondContact O-N 3.22Å; G1284-K1287 PolarHBondContact O-N 3.06Å; K1287-P1292 WeakPolarHBondContact O-CD 3.34Å
1288	D	43.8	Very low	40.3	Very low	97 Å²	97	76.3 Å²	76.3	52%	0.519	43%	0.43	S	S	.	.	I	π-helix	trans	-99	-22.9	-165.2	-55.1	-34.9	0	0	0	112.9	G1284 P1292	G1284-D1288 VanDerWaalsContact O-CB 3.26Å; G1284-D1288 WeakPolarHBondContact O-CB 3.48Å; G1284-D1288 PolarHBondContact O-N 2.72Å; D1288-P1292 WeakPolarHBondContact O-CG 3.35Å
1289	I	44	Very low	40.7	Very low	61 Å²	61	79.5 Å²	79.5	31%	0.313	44%	0.436	S	S	.	.	I	π-helix	trans	-117.2	-56	-176.4	-61.8	169.2	0	0	0	111.2	F1285 P1292 E1293	F1285-I1289 HydrophobicContact CD2-CB 4.41Å; F1285-I1289 HydrophobicContact CD2-CD1 3.74Å; F1285-I1289 HydrophobicContact CE2-CB 4.42Å; F1285-I1289 HydrophobicContact CE2-CD1 3.99Å; F1285-I1289 HydrophobicContact CE2-CG2 4.25Å; F1285-I1289 PolarHBondContact O-N 3.16Å; I1289-P1292 WeakPolarHBondContact O-CD 3.19Å; I1289-E1293 PolarHBondContact O-N 3.01Å
1290	L	40.6	Very low	40.7	Very low	80 Å²	80	80 Å²	80	42%	0.419	42%	0.423	S	S	.	.	I	π-helix	trans	-69.4	-45.3	-175.6	-97.3	162.7	0	0	0	113	F1285 F1294	F1285-L1290 HydrophobicContact CD1-CD1 3.76Å; F1285-L1290 HydrophobicContact CE1-CD1 3.46Å; F1285-L1290 VanDerWaalsContact CE1-CD1 3.46Å; F1285-L1290 HydrophobicContact CE1-CG 4.04Å; F1285-L1290 HydrophobicContact CZ-CD1 4.46Å; F1285-L1290 PolarHBondContact O-N 2.83Å; F1285-L1290 VanDerWaalsContact O-N 3.15Å; L1290-F1294 VanDerWaalsContact O-CB 3.23Å; L1290-F1294 WeakPolarHBondContact O-CB 3.42Å; L1290-F1294 PolarHBondContact O-N 2.87Å
1291	L	42.8	Very low	40.6	Very low	60 Å²	60	78.8 Å²	78.8	31%	0.314	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-177.3	-164.8	74.8	0	0	0	113	V1286 F1294 L1295	V1286-L1291 WeakPolarHBondContact O-CB 3.49Å; V1286-L1291 PolarHBondContact O-N 2.91Å; L1291-F1294 WeakPolarHBondContact O-CB 3.37Å; L1291-F1294 PolarHBondContact O-N 2.89Å; L1291-L1295 HydrophobicContact CG-CD1 4.38Å; L1291-L1295 VanDerWaalsContact O-CG 3.29Å; L1291-L1295 WeakPolarHBondContact O-CG 3.12Å; L1291-L1295 PolarHBondContact O-N 3.42Å
1292	P	44.4	Very low	40.1	Very low	65 Å²	65	84.3 Å²	84.3	42%	0.422	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-42.3	177.7	-24.8	38.2	0	0	0	113.5	K1287 D1288 I1289 F1294 L1295 A1296	K1287-P1292 WeakPolarHBondContact O-CD 3.34Å; D1288-P1292 WeakPolarHBondContact O-CG 3.35Å; I1289-P1292 WeakPolarHBondContact O-CD 3.19Å; P1292-F1294 VanDerWaalsContact C-N 3.33Å; P1292-F1294 PolarHBondContact O-N 3.42Å; P1292-L1295 PolarHBondContact O-N 3.03Å; P1292-A1296 PolarHBondContact O-N 3.41Å
1293	E	42.2	Very low	39.9	Very low	102 Å²	102	86 Å²	86	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-39.1	174.4	-84.9	-144.6	148	0	0	112	I1289 A1296 N1297	I1289-E1293 PolarHBondContact O-N 3.01Å; E1293-A1296 PolarHBondContact O-N 2.89Å; E1293-N1297 PolarHBondContact O-N 3.39Å; E1293-N1297 VanDerWaalsContact O-N 3.08Å
1294	F	41.1	Very low	39.6	Very low	86 Å²	86	84.4 Å²	84.4	38%	0.377	43%	0.426	S	S	.	.	H	α-helix	trans	-58.9	-47.3	172.7	173.6	-96.8	0	0	0	111.5	L1290 L1291 P1292 A1296 N1297 Y1298	L1290-F1294 VanDerWaalsContact O-CB 3.23Å; L1290-F1294 WeakPolarHBondContact O-CB 3.42Å; L1290-F1294 PolarHBondContact O-N 2.87Å; L1291-F1294 WeakPolarHBondContact O-CB 3.37Å; L1291-F1294 PolarHBondContact O-N 2.89Å; P1292-F1294 VanDerWaalsContact C-N 3.33Å; P1292-F1294 PolarHBondContact O-N 3.42Å; F1294-A1296 VanDerWaalsContact C-N 3.27Å; F1294-A1296 PolarHBondContact O-N 3.46Å; F1294-N1297 PolarHBondContact O-N 3.43Å; F1294-Y1298 WeakPolarHBondContact O-CB 3.44Å; F1294-Y1298 PolarHBondContact O-N 3.33Å
1295	L	39.7	Very low	39.1	Very low	63 Å²	63	91.1 Å²	91.1	33%	0.33	45%	0.451	S	S	.	.	H	α-helix	trans	-65.9	-27.2	177.8	-71.4	171.8	0	0	0	113	L1291 P1292 Y1298	L1291-L1295 HydrophobicContact CG-CD1 4.38Å; L1291-L1295 VanDerWaalsContact O-CG 3.29Å; L1291-L1295 WeakPolarHBondContact O-CG 3.12Å; L1291-L1295 PolarHBondContact O-N 3.42Å; P1292-L1295 PolarHBondContact O-N 3.03Å; L1295-Y1298 WeakPolarHBondContact O-CD1 3.38Å
1296	A	45.2	Very low	38.6	Very low	76 Å²	76	93.4 Å²	93.4	63%	0.628	47%	0.47	S	S	*	.	H	α-helix	trans	-72.6	-36.1	173.5	0	0	0	0	0	112.3	P1292 E1293 F1294	P1292-A1296 PolarHBondContact O-N 3.41Å; E1293-A1296 PolarHBondContact O-N 2.89Å; F1294-A1296 VanDerWaalsContact C-N 3.27Å; F1294-A1296 PolarHBondContact O-N 3.46Å
1297	N	37.8	Very low	38.4	Very low	83 Å²	83	94.7 Å²	94.7	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-107.9	-2.7	-169.9	-72.7	-41.5	0	0	0	115.8	E1293 F1294 R1299 N1300 T1301	E1293-N1297 PolarHBondContact O-N 3.39Å; E1293-N1297 VanDerWaalsContact O-N 3.08Å; F1294-N1297 PolarHBondContact O-N 3.43Å; N1297-R1299 VanDerWaalsContact C-N 3.25Å; N1297-R1299 PolarHBondContact O-N 2.9Å; N1297-R1299 VanDerWaalsContact O-N 3.11Å; N1297-N1300 PolarHBondContact O-N 3.39Å; N1297-T1301 PolarHBondContact O-OG1 3.34Å
1298	Y	36.9	Very low	38.3	Very low	80 Å²	80	95.9 Å²	95.9	31%	0.314	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-60	-27.1	-172	86.8	-84.8	0	0	0	115.1	F1294 L1295 N1300 T1301	F1294-Y1298 WeakPolarHBondContact O-CB 3.44Å; F1294-Y1298 PolarHBondContact O-N 3.33Å; L1295-Y1298 WeakPolarHBondContact O-CD1 3.38Å; Y1298-N1300 PolarHBondContact O-N 2.88Å; Y1298-T1301 WeakPolarHBondContact CA-OG1 3.31Å; Y1298-T1301 PolarHBondContact O-N 2.82Å
1299	R	36.3	Very low	38	Very low	211 Å²	211	94.2 Å²	94.2	80%	0.796	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.4	175.9	-73	-173.1	177.7	-173.9	-0.3	112.6	N1297	N1297-R1299 VanDerWaalsContact C-N 3.25Å; N1297-R1299 PolarHBondContact O-N 2.9Å; N1297-R1299 VanDerWaalsContact O-N 3.11Å
1300	N	38.4	Very low	37.6	Very low	124 Å²	124	97.8 Å²	97.8	66%	0.663	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-102.9	-9.6	-175.3	-66.5	-21.2	0	0	0	113.5	N1297 Y1298	N1297-N1300 PolarHBondContact O-N 3.39Å; Y1298-N1300 PolarHBondContact O-N 2.88Å
1301	T	33.8	Very low	37.7	Very low	55 Å²	55	97.6 Å²	97.6	34%	0.337	49%	0.487	S	S	.	.			trans	-119.8	105.8	-166.3	25.4	0	0	0	0	112.7	I1222 N1297 Y1298 M1303	I1222-T1301 HydrophobicContact CD1-CG2 4.15Å; N1297-T1301 PolarHBondContact O-OG1 3.34Å; Y1298-T1301 WeakPolarHBondContact CA-OG1 3.31Å; Y1298-T1301 PolarHBondContact O-N 2.82Å; T1301-M1303 PolarHBondContact O-N 3.22Å
1302	K	30.6	Very low	37.6	Very low	209 Å²	209	96.1 Å²	96.1	91%	0.909	48%	0.48	S	S	*	.			trans	-78.3	86.3	161.9	-88	-176.4	173	-179.4	0	108.7
1303	M	34.1	Very low	37.5	Very low	77 Å²	77	95.7 Å²	95.7	38%	0.379	48%	0.479	S	S	.	.			trans	-90.3	145.4	172.7	-146.3	-174.7	-171.6	0	0	110.7	T1301 C1307	T1301-M1303 PolarHBondContact O-N 3.22Å; M1303-C1307 HydrophobicContact CE-CB 3.97Å; M1303-C1307 HydrophobicContact CG-CB 4.49Å; M1303-C1307 HydrophobicContact SD-CB 4.13Å
1304	C	33.4	Very low	37.5	Very low	47 Å²	47	95.3 Å²	95.3	32%	0.318	48%	0.477	S	S	.	.			trans	-63.3	137.3	178.5	-79.1	0	0	0	0	112.6	E1225 T1306 C1307 W1308	E1225-C1304 VanDerWaalsContact CG-SG 3.59Å; C1304-T1306 PolarHBondContact O-N 3.33Å; C1304-C1307 PolarHBondContact O-N 3.42Å; C1304-W1308 PolarHBondContact O-N 3.04Å
1305	F	32.3	Very low	37.6	Very low	155 Å²	155	93.1 Å²	93.1	68%	0.68	48%	0.475	S	S	*	.	H	α-helix	trans	-48	-31.3	176.7	-173.1	-101	0	0	0	113.6	W1308 V1309	F1305-W1308 HydrophobicContact CE2-CE3 4.35Å; F1305-W1308 HydrophobicContact CE2-CZ3 4.45Å; F1305-W1308 WeakPolarHBondContact O-CB 3.3Å; F1305-W1308 PolarHBondContact O-N 2.99Å; F1305-V1309 HydrophobicContact CD1-CG2 3.88Å; F1305-V1309 HydrophobicContact CE1-CG2 3.63Å; F1305-V1309 HydrophobicContact CZ-CG2 4.08Å; F1305-V1309 WeakPolarHBondContact O-CG2 3.3Å; F1305-V1309 PolarHBondContact O-N 3.38Å
1306	T	32.9	Very low	37.7	Very low	109 Å²	109	94.2 Å²	94.2	67%	0.669	48%	0.48	S	S	*	.	H	α-helix	trans	-66	-41.9	179.1	-6.9	0	0	0	0	113.8	C1304 W1308 V1309 K1310	C1304-T1306 PolarHBondContact O-N 3.33Å; T1306-W1308 VanDerWaalsContact C-N 3.32Å; T1306-V1309 PolarHBondContact O-N 2.77Å; T1306-K1310 PolarHBondContact O-N 3.48Å
1307	C	36	Very low	37.7	Very low	50 Å²	50	96 Å²	96	34%	0.338	48%	0.483	S	S	.	.	H	α-helix	trans	-67.1	-38.3	175.2	-70.1	0	0	0	0	110.6	M1303 C1304 K1310 I1311	M1303-C1307 HydrophobicContact CE-CB 3.97Å; M1303-C1307 HydrophobicContact CG-CB 4.49Å; M1303-C1307 HydrophobicContact SD-CB 4.13Å; C1304-C1307 PolarHBondContact O-N 3.42Å; C1307-K1310 PolarHBondContact O-N 2.81Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.27Å; C1307-I1311 PolarHBondContact O-N 3.46Å; C1307-I1311 VanDerWaalsContact O-N 3.07Å
1308	W	38.2	Very low	38.1	Very low	123 Å²	123	97.2 Å²	97.2	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-46.7	174.9	-172.3	81.3	0	0	0	112	C1304 F1305 T1306 K1310 I1311 T1312	C1304-W1308 PolarHBondContact O-N 3.04Å; F1305-W1308 HydrophobicContact CE2-CE3 4.35Å; F1305-W1308 HydrophobicContact CE2-CZ3 4.45Å; F1305-W1308 WeakPolarHBondContact O-CB 3.3Å; F1305-W1308 PolarHBondContact O-N 2.99Å; T1306-W1308 VanDerWaalsContact C-N 3.32Å; W1308-K1310 VanDerWaalsContact C-N 3.26Å; W1308-K1310 PolarHBondContact O-N 3.23Å; W1308-I1311 PolarHBondContact O-N 3.43Å; W1308-T1312 HydrophobicContact CD2-CG2 3.99Å; W1308-T1312 HydrophobicContact CE3-CG2 4.47Å; W1308-T1312 HydrophobicContact CG-CG2 4.41Å; W1308-T1312 HydrophobicContact CH2-CG2 4.38Å; W1308-T1312 HydrophobicContact CZ2-CG2 3.9Å; W1308-T1312 WeakPolarHBondContact O-CB 3.03Å; W1308-T1312 WeakPolarHBondContact O-CG2 3.35Å; W1308-T1312 PolarHBondContact O-N 3.14Å; W1308-T1312 PolarHBondContact O-OG1 2.92Å
1309	V	36.3	Very low	38.5	Very low	63 Å²	63	97.7 Å²	97.7	38%	0.382	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-37.4	176.8	169.9	0	0	0	0	111.4	F1305 T1306 T1312 S1313	F1305-V1309 HydrophobicContact CD1-CG2 3.88Å; F1305-V1309 HydrophobicContact CE1-CG2 3.63Å; F1305-V1309 HydrophobicContact CZ-CG2 4.08Å; F1305-V1309 WeakPolarHBondContact O-CG2 3.3Å; F1305-V1309 PolarHBondContact O-N 3.38Å; T1306-V1309 PolarHBondContact O-N 2.77Å; V1309-T1312 WeakPolarHBondContact CA-OG1 3.33Å; V1309-T1312 PolarHBondContact O-OG1 3.39Å; V1309-S1313 WeakPolarHBondContact O-CA 3.42Å; V1309-S1313 WeakPolarHBondContact O-CB 3.45Å; V1309-S1313 PolarHBondContact O-N 2.62Å; V1309-S1313 PolarHBondContact O-OG 3.45Å; V1309-S1313 VanDerWaalsContact O-OG 3.13Å
1310	K	36.3	Very low	38.8	Very low	136 Å²	136	93.6 Å²	93.6	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-73.4	-49.2	-178.6	-146.3	176.1	-177.9	-171.3	0	112.3	T1306 C1307 W1308 T1312 S1313 E1314	T1306-K1310 PolarHBondContact O-N 3.48Å; C1307-K1310 PolarHBondContact O-N 2.81Å; W1308-K1310 VanDerWaalsContact C-N 3.26Å; W1308-K1310 PolarHBondContact O-N 3.23Å; K1310-T1312 VanDerWaalsContact C-N 3.29Å; K1310-T1312 PolarHBondContact O-N 2.85Å; K1310-S1313 WeakPolarHBondContact CA-OG 3.28Å; K1310-S1313 PolarHBondContact O-N 3.07Å; K1310-S1313 PolarHBondContact O-OG 3.07Å; K1310-E1314 PolarHBondContact O-N 3.06Å
1311	I	42.5	Very low	39.1	Very low	76 Å²	76	96 Å²	96	39%	0.39	50%	0.495	S	S	.	.	H	α-helix	trans	-59.7	-42.4	176.3	-64.4	168.7	0	0	0	110.4	V1286 C1307 W1308 A1315	V1286-I1311 HydrophobicContact CG1-CG2 4.28Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.27Å; C1307-I1311 PolarHBondContact O-N 3.46Å; C1307-I1311 VanDerWaalsContact O-N 3.07Å; W1308-I1311 PolarHBondContact O-N 3.43Å; I1311-A1315 VanDerWaalsContact O-CB 3.27Å; I1311-A1315 WeakPolarHBondContact O-CB 3.16Å; I1311-A1315 PolarHBondContact O-N 3.22Å
1312	T	41.3	Very low	39.8	Very low	28 Å²	28	98.6 Å²	98.6	17%	0.172	50%	0.5	C	S	.	.	H	α-helix	trans	-71.6	-39.8	176.7	53.3	0	0	0	0	112.3	W1308 V1309 K1310 E1314 A1315 I1316	W1308-T1312 HydrophobicContact CD2-CG2 3.99Å; W1308-T1312 HydrophobicContact CE3-CG2 4.47Å; W1308-T1312 HydrophobicContact CG-CG2 4.41Å; W1308-T1312 HydrophobicContact CH2-CG2 4.38Å; W1308-T1312 HydrophobicContact CZ2-CG2 3.9Å; W1308-T1312 WeakPolarHBondContact O-CB 3.03Å; W1308-T1312 WeakPolarHBondContact O-CG2 3.35Å; W1308-T1312 PolarHBondContact O-N 3.14Å; W1308-T1312 PolarHBondContact O-OG1 2.92Å; V1309-T1312 WeakPolarHBondContact CA-OG1 3.33Å; V1309-T1312 PolarHBondContact O-OG1 3.39Å; K1310-T1312 VanDerWaalsContact C-N 3.29Å; K1310-T1312 PolarHBondContact O-N 2.85Å; T1312-E1314 VanDerWaalsContact C-N 3.29Å; T1312-E1314 PolarHBondContact O-N 3.24Å; T1312-A1315 PolarHBondContact O-N 3.47Å; T1312-I1316 VanDerWaalsContact O-CB 3.28Å; T1312-I1316 WeakPolarHBondContact O-CB 3.41Å; T1312-I1316 VanDerWaalsContact O-CD1 3.27Å; T1312-I1316 WeakPolarHBondContact O-CD1 3.36Å; T1312-I1316 WeakPolarHBondContact O-CG1 3.3Å; T1312-I1316 PolarHBondContact O-N 3.17Å
1313	S	42.8	Very low	40.5	Very low	57 Å²	57	91 Å²	91	40%	0.399	47%	0.471	S	S	.	.	H	α-helix	trans	-61	-38.2	177.6	68.9	0	0	0	0	112.5	V1309 K1310	V1309-S1313 WeakPolarHBondContact O-CA 3.42Å; V1309-S1313 WeakPolarHBondContact O-CB 3.45Å; V1309-S1313 PolarHBondContact O-N 2.62Å; V1309-S1313 PolarHBondContact O-OG 3.45Å; V1309-S1313 VanDerWaalsContact O-OG 3.13Å; K1310-S1313 WeakPolarHBondContact CA-OG 3.28Å; K1310-S1313 PolarHBondContact O-N 3.07Å; K1310-S1313 PolarHBondContact O-OG 3.07Å
1314	E	40.4	Very low	40.9	Very low	94 Å²	94	95.4 Å²	95.4	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-74.8	-35.6	176.4	-72.1	-178.7	-175.7	0	0	111.6	K1310 T1312	K1310-E1314 PolarHBondContact O-N 3.06Å; T1312-E1314 VanDerWaalsContact C-N 3.29Å; T1312-E1314 PolarHBondContact O-N 3.24Å
1315	A	45.2	Very low	41.7	Very low	39 Å²	39	95.9 Å²	95.9	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-72.8	-31.6	175.8	0	0	0	0	0	113.8	I1311 T1312 V1317 N1318	I1311-A1315 VanDerWaalsContact O-CB 3.27Å; I1311-A1315 WeakPolarHBondContact O-CB 3.16Å; I1311-A1315 PolarHBondContact O-N 3.22Å; T1312-A1315 PolarHBondContact O-N 3.47Å; A1315-V1317 PolarHBondContact O-N 3.09Å; A1315-N1318 PolarHBondContact O-N 3.01Å
1316	I	40.5	Very low	42.3	Very low	86 Å²	86	92 Å²	92	44%	0.441	47%	0.471	S	S	.	.	H	α-helix	trans	-65.5	-27.6	-177.7	-75.8	160.6	0	0	0	111.7	T1312 N1318	T1312-I1316 VanDerWaalsContact O-CB 3.28Å; T1312-I1316 WeakPolarHBondContact O-CB 3.41Å; T1312-I1316 VanDerWaalsContact O-CD1 3.27Å; T1312-I1316 WeakPolarHBondContact O-CD1 3.36Å; T1312-I1316 WeakPolarHBondContact O-CG1 3.3Å; T1312-I1316 PolarHBondContact O-N 3.17Å; I1316-N1318 PolarHBondContact O-N 3.08Å
1317	V	46	Very low	42.7	Very low	113 Å²	113	90.1 Å²	90.1	69%	0.685	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.6	-178.3	179.5	0	0	0	0	112	A1315	A1315-V1317 PolarHBondContact O-N 3.09Å
1318	N	46.3	Very low	42.8	Very low	109 Å²	109	96.5 Å²	96.5	58%	0.583	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-18.2	-165.9	-72.6	-26.8	0	0	0	116.7	A1315 I1316	A1315-N1318 PolarHBondContact O-N 3.01Å; I1316-N1318 PolarHBondContact O-N 3.08Å
1319	D	45.1	Very low	43.1	Very low	91 Å²	91	94.5 Å²	94.5	49%	0.487	48%	0.478	S	S	.	.			trans	-162.8	83.6	176.4	-116.9	-30.2	0	0	0	114	F1321 Y1322	D1319-F1321 PolarHBondContact O-N 3.06Å; D1319-Y1322 PolarHBondContact O-N 3.19Å
1320	L	41.8	Very low	43.4	Very low	124 Å²	124	95.1 Å²	95.1	65%	0.649	47%	0.473	S	S	*	.	H	α-helix	trans	-55.2	-32.4	176.4	-99.2	153.3	0	0	0	112.6	W1324	L1320-W1324 WeakPolarHBondContact O-CB 3.49Å; L1320-W1324 PolarHBondContact O-N 3.46Å; L1320-W1324 VanDerWaalsContact O-N 3.09Å
1321	F	45.7	Very low	43.5	Very low	175 Å²	175	94.2 Å²	94.2	77%	0.768	47%	0.474	S	S	*	.	H	α-helix	trans	-74.6	-37.8	-172.8	-148.2	-90.5	0	0	0	113.4	D1319 S1325	D1319-F1321 PolarHBondContact O-N 3.06Å; F1321-S1325 WeakPolarHBondContact O-CB 3.48Å; F1321-S1325 PolarHBondContact O-N 3.42Å
1322	Y	47.6	Very low	43.5	Very low	109 Å²	109	94.8 Å²	94.8	43%	0.427	49%	0.49	S	S	.	.	H	α-helix	trans	-70.8	-44.2	-178.9	-167.3	-97.3	0	0	0	111.3	D1319 S1325 H1326	D1319-Y1322 PolarHBondContact O-N 3.19Å; Y1322-S1325 PolarHBondContact O-OG 2.87Å; Y1322-S1325 VanDerWaalsContact O-OG 3.08Å; Y1322-H1326 PolarHBondContact O-N 3.09Å
1323	V	46.3	Very low	43.3	Very low	50 Å²	50	100.7 Å²	100.7	30%	0.303	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-42	176.5	176.9	0	0	0	0	110.9	L1327	V1323-L1327 HydrophobicContact CG1-CD1 3.74Å; V1323-L1327 WeakPolarHBondContact O-CB 3.45Å; V1323-L1327 PolarHBondContact O-N 3.24Å
1324	W	42.7	Very low	42.8	Very low	169 Å²	169	101.3 Å²	101.3	64%	0.64	53%	0.529	S	S	*	.	H	α-helix	trans	-71.9	-34.4	-177.5	-148.4	67.3	0	0	0	113.4	L1320 L1327 R1328	L1320-W1324 WeakPolarHBondContact O-CB 3.49Å; L1320-W1324 PolarHBondContact O-N 3.46Å; L1320-W1324 VanDerWaalsContact O-N 3.09Å; W1324-L1327 PolarHBondContact O-N 3.47Å; W1324-R1328 WeakPolarHBondContact O-CB 3.09Å; W1324-R1328 PolarHBondContact O-N 3.39Å
1325	S	49	Very low	42.5	Very low	57 Å²	57	101.4 Å²	101.4	40%	0.399	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-42.8	177	73.8	0	0	0	0	112.2	F1321 Y1322 R1328 C1329	F1321-S1325 WeakPolarHBondContact O-CB 3.48Å; F1321-S1325 PolarHBondContact O-N 3.42Å; Y1322-S1325 PolarHBondContact O-OG 2.87Å; Y1322-S1325 VanDerWaalsContact O-OG 3.08Å; S1325-R1328 PolarHBondContact O-N 3.48Å; S1325-C1329 PolarHBondContact O-N 2.98Å
1326	H	45.4	Very low	41.7	Very low	73 Å²	73	105.1 Å²	105.1	34%	0.338	55%	0.554	S	S	.	*	H	α-helix	trans	-68.3	-44.4	174.1	-87.2	-74	0	0	0	111.6	Y1322 R1328 C1329 Y1330	Y1322-H1326 PolarHBondContact O-N 3.09Å; H1326-R1328 VanDerWaalsContact C-N 3.25Å; H1326-R1328 PolarHBondContact O-N 3.4Å; H1326-C1329 WeakPolarHBondContact O-CB 3.36Å; H1326-C1329 PolarHBondContact O-N 3.39Å; H1326-C1329 VanDerWaalsContact O-N 3.09Å; H1326-Y1330 WeakPolarHBondContact O-CD2 3.42Å; H1326-Y1330 PolarHBondContact O-N 3.13Å
1327	L	40.6	Very low	41.3	Very low	70 Å²	70	116.4 Å²	116.4	37%	0.366	59%	0.591	S	S	.	*	H	α-helix	trans	-55.2	-39.6	175.7	-106.8	142.3	0	0	0	112.6	V1323 W1324 C1329 Y1330 I1331	V1323-L1327 HydrophobicContact CG1-CD1 3.74Å; V1323-L1327 WeakPolarHBondContact O-CB 3.45Å; V1323-L1327 PolarHBondContact O-N 3.24Å; W1324-L1327 PolarHBondContact O-N 3.47Å; L1327-C1329 PolarHBondContact O-N 3.18Å; L1327-Y1330 PolarHBondContact O-N 3.16Å; L1327-Y1330 VanDerWaalsContact O-N 3.13Å; L1327-I1331 HydrophobicContact CD2-CD1 3.99Å; L1327-I1331 HydrophobicContact CD2-CG1 4.29Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.36Å; L1327-I1331 PolarHBondContact O-N 3.35Å
1328	R	39.3	Very low	41.1	Very low	184 Å²	184	116.6 Å²	116.6	69%	0.694	59%	0.587	S	S	*	*	H	α-helix	trans	-64.1	-39.6	178.1	-152.6	178.4	-173.9	-173.9	2.4	112.4	W1324 S1325 H1326 Y1330 A1332	W1324-R1328 WeakPolarHBondContact O-CB 3.09Å; W1324-R1328 PolarHBondContact O-N 3.39Å; S1325-R1328 PolarHBondContact O-N 3.48Å; H1326-R1328 VanDerWaalsContact C-N 3.25Å; H1326-R1328 PolarHBondContact O-N 3.4Å; R1328-Y1330 VanDerWaalsContact C-N 3.26Å; R1328-Y1330 PolarHBondContact O-N 2.83Å; R1328-A1332 PolarHBondContact O-N 3.48Å
1329	C	44.3	Very low	40.8	Very low	82 Å²	82	116.9 Å²	116.9	55%	0.554	59%	0.587	S	S	*	*	H	α-helix	trans	-64.3	-29.2	173.9	-85.6	0	0	0	0	113.1	S1325 H1326 L1327	S1325-C1329 PolarHBondContact O-N 2.98Å; H1326-C1329 WeakPolarHBondContact O-CB 3.36Å; H1326-C1329 PolarHBondContact O-N 3.39Å; H1326-C1329 VanDerWaalsContact O-N 3.09Å; L1327-C1329 PolarHBondContact O-N 3.18Å
1330	Y	41.9	Very low	40.6	Very low	75 Å²	75	118.4 Å²	118.4	29%	0.294	59%	0.592	S	S	.	*	H	α-helix	trans	-95.6	-32.3	-175.1	-72.8	-73.2	0	0	0	114.1	H1326 L1327 R1328 A1332 K1333	H1326-Y1330 WeakPolarHBondContact O-CD2 3.42Å; H1326-Y1330 PolarHBondContact O-N 3.13Å; L1327-Y1330 PolarHBondContact O-N 3.16Å; L1327-Y1330 VanDerWaalsContact O-N 3.13Å; R1328-Y1330 VanDerWaalsContact C-N 3.26Å; R1328-Y1330 PolarHBondContact O-N 2.83Å; Y1330-A1332 PolarHBondContact O-N 3.42Å; Y1330-K1333 PolarHBondContact O-N 3.45Å
1331	I	38.7	Very low	40.5	Very low	117 Å²	117	118.1 Å²	118.1	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-60.2	-37.5	167.9	-66.6	168.4	0	0	0	109.9	L1327 K1333 G1334	L1327-I1331 HydrophobicContact CD2-CD1 3.99Å; L1327-I1331 HydrophobicContact CD2-CG1 4.29Å; L1327-I1331 WeakPolarHBondContact O-CG1 3.36Å; L1327-I1331 PolarHBondContact O-N 3.35Å; I1331-K1333 PolarHBondContact O-N 3.3Å; I1331-K1333 VanDerWaalsContact O-N 3.16Å; I1331-G1334 PolarHBondContact O-N 3.45Å
1332	A	42.1	Very low	40.2	Very low	88 Å²	88	114.5 Å²	114.5	73%	0.727	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-19.7	174.1	0	0	0	0	0	114	R1328 Y1330	R1328-A1332 PolarHBondContact O-N 3.48Å; Y1330-A1332 PolarHBondContact O-N 3.42Å
1333	K	37.7	Very low	39.7	Very low	152 Å²	152	114.9 Å²	114.9	66%	0.661	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	11.4	178.9	-72.2	-175.7	178.3	176.6	0	113.9	Y1330 I1331 T1335	Y1330-K1333 PolarHBondContact O-N 3.45Å; I1331-K1333 PolarHBondContact O-N 3.3Å; I1331-K1333 VanDerWaalsContact O-N 3.16Å; K1333-T1335 PolarHBondContact O-N 3.22Å; K1333-T1335 PolarHBondContact O-OG1 3.02Å
1334	G	31.4	Very low	39.2	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.9	20.6	163.9	0	0	0	0	0	116.7	I1331	I1331-G1334 PolarHBondContact O-N 3.45Å
1335	T	36.1	Very low	38.9	Very low	97 Å²	97	115.7 Å²	115.7	60%	0.595	61%	0.606	S	S	*	*			trans	-104.7	-2.5	-172.5	29.9	0	0	0	0	114.7	K1333	K1333-T1335 PolarHBondContact O-N 3.22Å; K1333-T1335 PolarHBondContact O-OG1 3.02Å
1336	V	28.2	Very low	38.1	Very low	117 Å²	117	120.6 Å²	120.6	71%	0.709	62%	0.623	S	S	*	*			trans	-109	114.1	172.2	-173	0	0	0	0	107.6
1337	R	31.2	Very low	37.4	Very low	322 Å²	322	124.9 Å²	124.9	100%	1.215	65%	0.649	S	S	*	*			trans	-93.8	0	169.5	-108.6	-170.9	-177.3	179.8	1.2	109.8

Retrieved 1,337 of 1,337 residues in 849.7 ms (Link to these results)

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