A0A087XPY8_POEFO Loading...

Receptor protein-tyrosine kinase

In the nucleus is involved in transcriptional regulation. Associates with the 5'-TCAAATTC-3' sequence in the PTGS2/COX-2 promoter and activates its transcription. Implicated in transcriptional activation of CDKN1A; the function involves STAT3 and SRC. Involved in the transcription of rRNA genes by RNA Pol I and enhances protein synthesis and cell growth.

AlphaFold DB , UniProt , Accession A0A087XPY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,264 aa.

						>A0A087XPY8_POEFO|A0A087XPY8
VCLGTDMKLALPSSLENHYETLRLLYTGCQVVHGNLEITHLSGNPDLSFLKEIVEVQGYVLIAHVSVSLVPLDNLRIIRGSHFYNSNYSLAVLDNQGLKTLRLRSLKEILLGGVSILGNPQLCFPDPENIKWTDTMDEQNTKPKRLQARAPNCPSCHPTCEGHCWGETEQDCQILTRTNCASGCQRCKGPLPSDCCHTQCAAGCTGPRDSDCLACRHFNDSGMCKENCPPPNFYDSVTYQSKPNPNKKLSFGATCVKTCPYNYLAMEVACTLNCPRSNKEVIIKQPDGTETQKCEKCEADCAKDCYSLGMDNLGVVDNHSVTVVTSANVGQFTKCSKIFGSLAFRAQSFARDPVTNSSGLTLEQLKSFRKLEEIAGYLYIDAWPAEWSNLSVFENLKVIRGRMLYMGVFSLAIQNLHIQSLGLRSLHSVSGGLVLLYNNSELCYTDSLPWASILHPTEGPQRIVSLNREPSVCEKERRVCHPLCEGGCWGPGPGQCVSCKTFQRGTVCVEQCDYQGAAPEYVDGFLCKTCHDECRPLNASASCHGPGPDHCTECLHYQDEKICVERCPSGVKEDQQTVWKYSNETRHCLPCNTNCTLSCTMMDERGCPIDTKTGSGTTIAAAIGGVALFIILLGLLVFYLKRQTKMKRKETMRRYLQEQELVEPLTPSGASPNQAQMRILKETELKKLRPLGAGAFGTVYKGVWAPEGEHITIPVAIKVLRENTSPKGNKDILDEAFVMASVTSPYVCRLLGICLTSAVQLVTQLMPYGCLLDYVRENKDRIGSQCLLNWCVQIAKGMNYLEDIRLVHRDLAARNVLVKNPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILHRKFTHQSDVWSYGVTVWELMTFGSKPYDTIAAREIPDLLEGGERLPQPPICTIDVYMIMVKCWMIDPDSRPKFKDLVQDLSAMARDPSRYLVIQNDDQMSSCSPVDSQFYRMLLEEGENMGDMMDAEEYLVPQPNLFPRTRADGAQANGPTRHQSYQQQSKDLDVEPLAAGGPQSMYSSLSTLGRSQCPTLPVAASMSNGLWPQLARTTSAGGQSDSVFLDVTPDGHFLSPSSPGRYCKDPTYPRGSQCDLETDEADGSHHPNHLHHSLPRRSHAHSQRPSMPEYVNQEMLDPRPAIPERPTTLPRKGSRVERRLPNGLGSGHSVENPGYLIPVNSACPAFDNPYYLDLGDKANGAPPGAAGDGAATQESNGNITRHVNGFVTPTAENPEYLGLADTWTGGQT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	78.9	Confident	84.9	Confident	108 Å²	108	45.2 Å²	45.2	66%	0.655	26%	0.255	S	S	*	.				0	139.3	0	-174.7	0	0	0	0	106.5	V31 H33 F251	V1-V31 VanDerWaalsContact CA-O 3.28Å; V1-V31 WeakPolarHBondContact CA-O 3.42Å; V1-V31 HydrophobicContact CG1-CB 4.48Å; V1-V31 WeakPolarHBondContact CG1-O 3.26Å; V1-V31 HydrophobicContact CG2-CB 4.37Å; V1-H33 HydrophobicContact CG1-CB 4.03Å; V1-F251 HydrophobicContact CG1-CE1 4.31Å; V1-F251 HydrophobicContact CG1-CZ 4.38Å
2	C	82.8	Confident	84.8	Confident	17 Å²	17	42.9 Å²	42.9	12%	0.115	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-130.9	159.4	175.2	60.7	0	0	0	0	109.5	L25 Y26 C29 V31 H33	C2-L25 HydrophobicContact CB-CD1 4.47Å; C2-L25 VanDerWaalsContact CB-O 3.3Å; C2-L25 WeakPolarHBondContact CB-O 3.5Å; C2-Y26 VanDerWaalsContact SG-CD1 3.55Å; C2-C29 HydrophobicContact CB-CB 3.78Å; C2-C29 WeakPolarHBondContact CB-SG 3.4Å; C2-C29 PolarHBondContact N-SG 3.08Å; C2-C29 WeakPolarHBondContact SG-CB 3.33Å; C2-C29 CovalentContact SG-SG 2.04Å; C2-C29 PolarHBondContact SG-SG 3.48Å; C2-V31 PolarHBondContact N-O 2.85Å; C2-H33 PolarHBondContact O-N 3.4Å
3	L	79.7	Confident	84.2	Confident	52 Å²	52	42.2 Å²	42.2	27%	0.272	24%	0.243	S	C	.	.			trans	-76.5	-23.3	-172.8	-68.1	169.7	0	0	0	114.1	H33 G34 Y263 L404	L3-H33 CarbonylContact O-C 3.54Å; L3-G34 VanDerWaalsContact O-CA 3.31Å; L3-G34 WeakPolarHBondContact O-CA 3.38Å; L3-G34 PolarHBondContact O-N 2.96Å; L3-Y263 WeakPolarHBondContact CD2-OH 3.39Å; L3-L404 HydrophobicContact CD1-CD1 3.62Å
4	G	85	Confident	84	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.021	23%	0.23	C	C	.	.			trans	74.6	-162.2	-169.1	0	0	0	0	0	112.4	V32 N35	G4-V32 VanDerWaalsContact CA-CG1 3.48Å; G4-N35 CarbonylContact C-O 3.51Å; G4-N35 WeakPolarHBondContact CA-O 3.41Å
5	T	87.7	Confident	84	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.031	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-139.6	171.4	-174.5	56.1	0	0	0	0	113.3	M7 L25 N35 E37 V408	T5-M7 HydrophobicContact CG2-CE 4.01Å; T5-L25 HydrophobicContact CG2-CD2 3.36Å; T5-N35 PolarHBondContact N-O 2.81Å; T5-N35 WeakPolarHBondContact O-CB 3.42Å; T5-N35 PolarHBondContact O-ND2 2.99Å; T5-E37 VanDerWaalsContact C-OE2 3.23Å; T5-E37 WeakPolarHBondContact CB-OE2 3.19Å; T5-E37 WeakPolarHBondContact OG1-CB 3.04Å; T5-E37 WeakPolarHBondContact OG1-CG 3.41Å; T5-E37 PolarHBondContact OG1-OE2 2.82Å; T5-V408 HydrophobicContact CG2-CG2 3.51Å
6	D	85	Confident	83.9	Confident	29 Å²	29	49.6 Å²	49.6	16%	0.155	27%	0.274	C	S	.	.			trans	-145.7	45.8	167.4	-165.1	48.7	0	0	0	112	K8 N35 E37 Y59 N318 M406	D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 VanDerWaalsContact CG-NZ 3.27Å; D6-K8 VanDerWaalsContact OD1-CE 3.25Å; D6-K8 WeakPolarHBondContact OD1-CE 3.04Å; D6-K8 IonicContact OD1-NZ 2.88Å; D6-K8 PolarHBondContact OD1-NZ 3.31Å; D6-K8 WeakPolarHBondContact OD2-CE 3.34Å; D6-K8 IonicContact OD2-NZ 3.88Å; D6-K8 PolarHBondContact OD2-NZ 3.06Å; D6-N35 PolarHBondContact OD1-ND2 2.94Å; D6-E37 WeakPolarHBondContact CA-OE2 3.46Å; D6-E37 PolarHBondContact N-OE2 2.88Å; D6-E37 VanDerWaalsContact N-OE2 3.16Å; D6-Y59 PolarHBondContact OD1-OH 2.87Å; D6-N318 PolarHBondContact OD2-ND2 3.05Å; D6-M406 PolarHBondContact N-O 3.16Å
7	M	85.3	Confident	84	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.059	26%	0.262	C	S	.	.			trans	-69	-29.3	172.6	-69.3	172.5	-58.9	0	0	112.5	T5 L9 A10 L22 E37 M406	T5-M7 HydrophobicContact CG2-CE 4.01Å; M7-L9 PolarHBondContact O-N 3.24Å; M7-A10 WeakPolarHBondContact O-CB 3.41Å; M7-A10 PolarHBondContact O-N 3.21Å; M7-L22 HydrophobicContact CE-CD2 4.46Å; M7-E37 HydrophobicContact CE-CB 4.28Å; M7-E37 PolarHBondContact N-OE1 3.14Å; M7-E37 PolarHBondContact N-OE2 3.07Å; M7-M406 HydrophobicContact CG-CB 3.82Å
8	K	89.6	Confident	84.3	Confident	49 Å²	49	45.1 Å²	45.1	21%	0.213	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-119.8	-169.3	-59.3	163.6	-166.9	106.3	0	109.8	D6 E37 Y59 L61 Y84	D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 VanDerWaalsContact CG-NZ 3.27Å; D6-K8 VanDerWaalsContact OD1-CE 3.25Å; D6-K8 WeakPolarHBondContact OD1-CE 3.04Å; D6-K8 IonicContact OD1-NZ 2.88Å; D6-K8 PolarHBondContact OD1-NZ 3.31Å; D6-K8 WeakPolarHBondContact OD2-CE 3.34Å; D6-K8 IonicContact OD2-NZ 3.88Å; D6-K8 PolarHBondContact OD2-NZ 3.06Å; K8-E37 VanDerWaalsContact CA-OE1 3.24Å; K8-E37 WeakPolarHBondContact CA-OE1 3.45Å; K8-E37 PolarHBondContact N-OE1 3.35Å; K8-Y59 WeakPolarHBondContact CG-OH 3.49Å; K8-L61 WeakPolarHBondContact O-CD2 3.4Å; K8-Y84 HydrophobicContact CB-CE2 4.2Å
9	L	89.6	Confident	84.7	Confident	59 Å²	59	45.4 Å²	45.4	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.9	174.2	-57.5	-177	0	0	0	113.5	M7 H40 L61 A63 Y84	M7-L9 PolarHBondContact O-N 3.24Å; L9-H40 PolarHBondContact O-NE2 2.73Å; L9-L61 HydrophobicContact CD2-CD2 4.29Å; L9-A63 HydrophobicContact CD2-CB 3.34Å; L9-Y84 VanDerWaalsContact CD1-OH 3.28Å; L9-Y84 WeakPolarHBondContact CD1-OH 3.27Å; L9-Y84 WeakPolarHBondContact CG-OH 3.36Å
10	A	85.8	Confident	84.9	Confident	40 Å²	40	46.6 Å²	46.6	33%	0.331	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-58.3	142.1	177.1	0	0	0	0	0	110.7	M7 H40	M7-A10 WeakPolarHBondContact O-CB 3.41Å; M7-A10 PolarHBondContact O-N 3.21Å; A10-H40 PolarHBondContact O-CD2 3.24Å; A10-H40 PolarHBondContact O-NE2 3.47Å
11	L	85	Confident	85.1	Confident	124 Å²	124	44.7 Å²	44.7	65%	0.649	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-65.6	133.1	174.5	-77.1	162.7	0	0	0	109.5	L15	L11-L15 HydrophobicContact CD2-CD2 4.47Å
12	P	83.8	Confident	85.6	Confident	18 Å²	18	39.6 Å²	39.6	12%	0.117	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-66.8	149.8	177.7	29.6	-36.1	0	0	0	110.6	S14 L15 H18 H40	P12-S14 PolarHBondContact O-N 3.34Å; P12-L15 HydrophobicContact CG-CD2 3.66Å; P12-L15 HydrophobicContact CG-CG 4.2Å; P12-H18 HydrophobicContact CB-CB 4.02Å; P12-H18 WeakPolarHBondContact CB-ND1 3.05Å; P12-H18 HydrophobicContact CG-CB 3.87Å; P12-H40 HydrophobicContact CG-CB 4.45Å
13	S	76.5	Confident	86	Confident	33 Å²	33	42.7 Å²	42.7	23%	0.231	22%	0.218	C	C	.	.	S	Bend	trans	-57.4	-27	-175.2	-52.8	0	0	0	0	114.2
14	S	81	Confident	86.3	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.063	22%	0.216	C	C	.	.			trans	-142.7	126.1	161.9	168.3	0	0	0	0	108.8	P12 E16 N17 H18	P12-S14 PolarHBondContact O-N 3.34Å; S14-E16 PolarHBondContact OG-N 3.1Å; S14-N17 PolarHBondContact OG-N 2.66Å; S14-H18 WeakPolarHBondContact O-CB 3.43Å; S14-H18 PolarHBondContact O-N 2.84Å; S14-H18 VanDerWaalsContact O-N 3.16Å
15	L	84.1	Confident	86.4	Confident	99 Å²	99	43.5 Å²	43.5	52%	0.518	22%	0.222	S	C	.	.	S	Bend	trans	-67.4	-37.4	175.5	-75.5	163.2	0	0	0	111.7	L11 P12 H18 H40	L11-L15 HydrophobicContact CD2-CD2 4.47Å; P12-L15 HydrophobicContact CG-CD2 3.66Å; P12-L15 HydrophobicContact CG-CG 4.2Å; L15-H18 WeakPolarHBondContact O-CB 3.49Å; L15-H18 PolarHBondContact O-N 2.87Å; L15-H40 HydrophobicContact CD2-CB 3.96Å
16	E	83.4	Confident	86.5	Confident	137 Å²	137	43.3 Å²	43.3	64%	0.64	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-46.8	177.7	-177	176.7	-153.4	0	0	111.1	S14 H18	S14-E16 PolarHBondContact OG-N 3.1Å; E16-H18 VanDerWaalsContact C-N 3.28Å; E16-H18 PolarHBondContact O-N 3.39Å
17	N	85.3	Confident	86.7	Confident	15 Å²	15	46 Å²	46	8%	0.08	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.5	177.9	-62	-28.6	0	0	0	113.4	S14 Y19 E20 T21 Y437 I463 S465	S14-N17 PolarHBondContact OG-N 2.66Å; N17-Y19 PolarHBondContact O-N 2.03Å; N17-E20 PolarHBondContact O-N 3.03Å; N17-T21 PolarHBondContact O-N 2.87Å; N17-T21 PolarHBondContact O-OG1 2.78Å; N17-Y437 WeakPolarHBondContact ND2-CD2 3.38Å; N17-I463 HydrophobicContact CB-CG2 3.86Å; N17-S465 PolarHBondContact ND2-OG 2.64Å; N17-S465 PolarHBondContact OD1-OG 2.9Å
18	H	89.4	Confident	86.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-38.3	-169.3	-170.3	48.1	0	0	0	112.7	P12 S14 L15 E16 T21 L22 T39	P12-H18 HydrophobicContact CB-CB 4.02Å; P12-H18 WeakPolarHBondContact CB-ND1 3.05Å; P12-H18 HydrophobicContact CG-CB 3.87Å; S14-H18 WeakPolarHBondContact O-CB 3.43Å; S14-H18 PolarHBondContact O-N 2.84Å; S14-H18 VanDerWaalsContact O-N 3.16Å; L15-H18 WeakPolarHBondContact O-CB 3.49Å; L15-H18 PolarHBondContact O-N 2.87Å; E16-H18 VanDerWaalsContact C-N 3.28Å; E16-H18 PolarHBondContact O-N 3.39Å; H18-T21 VanDerWaalsContact O-CB 3.29Å; H18-T21 WeakPolarHBondContact O-CB 3.28Å; H18-T21 PolarHBondContact O-N 3.01Å; H18-L22 WeakPolarHBondContact O-CG 3.47Å; H18-L22 PolarHBondContact O-N 2.92Å; H18-T39 PolarHBondContact CD2-O 2.66Å; H18-T39 PolarHBondContact NE2-O 2.83Å; H18-T39 VanDerWaalsContact NE2-O 3.15Å
19	Y	91.4	Very high	86.9	Confident	51 Å²	51	45.6 Å²	45.6	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-49.3	173.3	168.8	-108.5	0	0	0	112.1	N17 T21 L22 R23 P45 D46 L47 F49	N17-Y19 PolarHBondContact O-N 2.03Å; Y19-T21 VanDerWaalsContact C-N 3.27Å; Y19-T21 PolarHBondContact O-N 2.92Å; Y19-L22 PolarHBondContact O-N 2.86Å; Y19-R23 PolarHBondContact O-N 2.86Å; Y19-P45 HydrophobicContact CD2-CB 3.36Å; Y19-P45 HydrophobicContact CD2-CG 4.19Å; Y19-P45 HydrophobicContact CE2-CB 3.46Å; Y19-P45 VanDerWaalsContact CE2-CB 3.46Å; Y19-P45 HydrophobicContact CG-CB 3.93Å; Y19-D46 VanDerWaalsContact CE2-O 3.26Å; Y19-D46 WeakPolarHBondContact CE2-O 3.05Å; Y19-D46 PolarHBondContact OH-O 3.34Å; Y19-L47 HydrophobicContact CD2-CD2 4.49Å; Y19-L47 HydrophobicContact CE2-CD2 4.26Å; Y19-F49 AromaticContact CE2-CE1 3.9Å; Y19-F49 HydrophobicContact CE2-CE1 3.9Å
20	E	88.6	Confident	87	Confident	68 Å²	68	48.5 Å²	48.5	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-39.7	176.9	-68.3	-66.8	135.1	0	0	111.3	N17 L22 R23 L24	N17-E20 PolarHBondContact O-N 3.03Å; E20-L22 PolarHBondContact O-N 3.36Å; E20-R23 VanDerWaalsContact CD-NH1 3.31Å; E20-R23 PolarHBondContact O-N 3.38Å; E20-R23 IonicContact OE1-CZ 2.74Å; E20-R23 IonicContact OE1-NH1 2.68Å; E20-R23 PolarHBondContact OE1-NH1 2.03Å; E20-R23 IonicContact OE1-NH2 3.92Å; E20-R23 IonicContact OE2-CZ 3.26Å; E20-R23 IonicContact OE2-NH1 2.82Å; E20-R23 PolarHBondContact OE2-NH1 3.43Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.95Å; E20-L24 WeakPolarHBondContact O-CB 3.47Å; E20-L24 WeakPolarHBondContact O-CG 3.14Å; E20-L24 PolarHBondContact O-N 3.32Å
21	T	88.7	Confident	87.2	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-50.3	174.3	-52.9	0	0	0	0	111.8	N17 H18 Y19 L25 V408 F409 L433 I463	N17-T21 PolarHBondContact O-N 2.87Å; N17-T21 PolarHBondContact O-OG1 2.78Å; H18-T21 VanDerWaalsContact O-CB 3.29Å; H18-T21 WeakPolarHBondContact O-CB 3.28Å; H18-T21 PolarHBondContact O-N 3.01Å; Y19-T21 VanDerWaalsContact C-N 3.27Å; Y19-T21 PolarHBondContact O-N 2.92Å; T21-L25 WeakPolarHBondContact O-CB 3.42Å; T21-L25 PolarHBondContact O-N 2.89Å; T21-L25 VanDerWaalsContact O-N 3.15Å; T21-V408 HydrophobicContact CG2-CG1 3.48Å; T21-V408 VanDerWaalsContact CG2-CG1 3.48Å; T21-V408 HydrophobicContact CG2-CG2 4.4Å; T21-F409 HydrophobicContact CG2-CE1 4.46Å; T21-F409 HydrophobicContact CG2-CZ 3.85Å; T21-L433 HydrophobicContact CG2-CD1 4.06Å; T21-I463 VanDerWaalsContact OG1-CD1 3.26Å; T21-I463 WeakPolarHBondContact OG1-CD1 3.44Å
22	L	90.3	Very high	87.5	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-39.3	178.6	-63.8	176.6	0	0	0	111.9	M7 H18 Y19 E20 L25 Y26 I38 L41 F49	M7-L22 HydrophobicContact CE-CD2 4.46Å; H18-L22 WeakPolarHBondContact O-CG 3.47Å; H18-L22 PolarHBondContact O-N 2.92Å; Y19-L22 PolarHBondContact O-N 2.86Å; E20-L22 PolarHBondContact O-N 3.36Å; L22-L25 PolarHBondContact O-N 3.12Å; L22-Y26 HydrophobicContact CB-CD2 4.46Å; L22-Y26 HydrophobicContact CD2-CD2 4.46Å; L22-Y26 HydrophobicContact CD2-CE2 3.94Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 2.93Å; L22-Y26 VanDerWaalsContact O-N 3.1Å; L22-I38 HydrophobicContact CD1-CD1 4.25Å; L22-L41 HydrophobicContact CD1-CD1 4.02Å; L22-L41 HydrophobicContact CD1-CD2 4.1Å; L22-L41 HydrophobicContact CD1-CG 4.15Å; L22-F49 HydrophobicContact CB-CZ 4.4Å; L22-F49 WeakPolarHBondContact O-CE2 3.41Å
23	R	90.6	Very high	87.7	Confident	82 Å²	82	44.1 Å²	44.1	31%	0.309	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-45.6	177.4	-166.2	-178.3	80.8	-129.5	-12.5	111.3	Y19 E20 L25 T27 F49	Y19-R23 PolarHBondContact O-N 2.86Å; E20-R23 VanDerWaalsContact CD-NH1 3.31Å; E20-R23 PolarHBondContact O-N 3.38Å; E20-R23 IonicContact OE1-CZ 2.74Å; E20-R23 IonicContact OE1-NH1 2.68Å; E20-R23 PolarHBondContact OE1-NH1 2.03Å; E20-R23 IonicContact OE1-NH2 3.92Å; E20-R23 IonicContact OE2-CZ 3.26Å; E20-R23 IonicContact OE2-NH1 2.82Å; E20-R23 PolarHBondContact OE2-NH1 3.43Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.95Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 3.44Å; R23-T27 WeakPolarHBondContact CG-OG1 3.31Å; R23-T27 VanDerWaalsContact O-CB 3.28Å; R23-T27 WeakPolarHBondContact O-CB 3.23Å; R23-T27 PolarHBondContact O-N 3.28Å; R23-T27 PolarHBondContact O-OG1 3.29Å; R23-F49 HydrophobicContact CB-CD1 4.3Å; R23-F49 HydrophobicContact CB-CE1 3.93Å; R23-F49 HydrophobicContact CB-CZ 4.08Å; R23-F49 HydrophobicContact CG-CD1 3.76Å; R23-F49 HydrophobicContact CG-CE1 3.9Å; R23-F49 HydrophobicContact CG-CG 4.17Å; R23-F49 HydrophobicContact CG-CZ 4.44Å
24	L	86.9	Confident	88.2	Confident	42 Å²	42	43 Å²	43	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-35.8	178.8	-71	173.7	0	0	0	112.6	E20 L433 P460 I463	E20-L24 WeakPolarHBondContact O-CB 3.47Å; E20-L24 WeakPolarHBondContact O-CG 3.14Å; E20-L24 PolarHBondContact O-N 3.32Å; L24-L433 HydrophobicContact CB-CD1 4.26Å; L24-L433 HydrophobicContact CB-CD2 4.33Å; L24-P460 HydrophobicContact CD2-CG 3.77Å; L24-I463 HydrophobicContact CD1-CD1 4.24Å; L24-I463 HydrophobicContact CD1-CG1 3.91Å
25	L	86.4	Confident	88.8	Confident	29 Å²	29	43 Å²	43	15%	0.152	23%	0.226	C	C	.	.	H	α-helix	trans	-76.3	-35.4	-179.1	-176.6	61	0	0	0	113.8	C2 T5 T21 L22 R23	C2-L25 HydrophobicContact CB-CD1 4.47Å; C2-L25 VanDerWaalsContact CB-O 3.3Å; C2-L25 WeakPolarHBondContact CB-O 3.5Å; T5-L25 HydrophobicContact CG2-CD2 3.36Å; T21-L25 WeakPolarHBondContact O-CB 3.42Å; T21-L25 PolarHBondContact O-N 2.89Å; T21-L25 VanDerWaalsContact O-N 3.15Å; L22-L25 PolarHBondContact O-N 3.12Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 3.44Å
26	Y	89.9	Confident	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-110.1	-10.9	-169.7	-63.8	-64.2	0	0	0	115.6	C2 L22 G28 C29 V32 N35 L36 I38 L50 I53	C2-Y26 VanDerWaalsContact SG-CD1 3.55Å; L22-Y26 HydrophobicContact CB-CD2 4.46Å; L22-Y26 HydrophobicContact CD2-CD2 4.46Å; L22-Y26 HydrophobicContact CD2-CE2 3.94Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.47Å; L22-Y26 PolarHBondContact O-N 2.93Å; L22-Y26 VanDerWaalsContact O-N 3.1Å; Y26-G28 PolarHBondContact O-N 2.88Å; Y26-C29 VanDerWaalsContact O-CB 3.25Å; Y26-C29 WeakPolarHBondContact O-CB 3.17Å; Y26-C29 PolarHBondContact O-N 2.04Å; Y26-V32 HydrophobicContact CD1-CG2 4.31Å; Y26-V32 HydrophobicContact CE1-CG1 4.11Å; Y26-V32 HydrophobicContact CE1-CG2 4.03Å; Y26-N35 PolarHBondContact OH-O 2.97Å; Y26-L36 HydrophobicContact CD1-CD1 4.06Å; Y26-L36 HydrophobicContact CD2-CD1 4.35Å; Y26-L36 HydrophobicContact CE1-CD1 3.6Å; Y26-L36 HydrophobicContact CE2-CD1 3.92Å; Y26-L36 HydrophobicContact CG-CD1 4.44Å; Y26-I38 HydrophobicContact CE2-CD1 4.36Å; Y26-L50 HydrophobicContact CD2-CD2 4.26Å; Y26-L50 HydrophobicContact CG-CD2 4.24Å; Y26-I53 HydrophobicContact CD1-CD1 4.14Å; Y26-I53 HydrophobicContact CG-CD1 4.45Å
27	T	89.6	Confident	90	Very high	85 Å²	85	31.8 Å²	31.8	52%	0.521	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	127.9	172.3	-59.9	0	0	0	0	110.4	R23 C29	R23-T27 WeakPolarHBondContact CG-OG1 3.31Å; R23-T27 VanDerWaalsContact O-CB 3.28Å; R23-T27 WeakPolarHBondContact O-CB 3.23Å; R23-T27 PolarHBondContact O-N 3.28Å; R23-T27 PolarHBondContact O-OG1 3.29Å; T27-C29 VanDerWaalsContact C-N 3.25Å; T27-C29 PolarHBondContact O-N 3.45Å
28	G	88.4	Confident	90.5	Very high	50 Å²	50	31.1 Å²	31.1	52%	0.515	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	2	-173.6	0	0	0	0	0	114.3	Y26 E52	Y26-G28 PolarHBondContact O-N 2.88Å; G28-E52 WeakPolarHBondContact CA-OE2 3.42Å; G28-E52 PolarHBondContact N-OE2 2.91Å
29	C	90.1	Very high	90.7	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.02	17%	0.166	C	C	.	.			trans	-93.3	107.9	-174.5	-169.4	0	0	0	0	113.1	C2 Y26 T27 V31 E52 I53	C2-C29 HydrophobicContact CB-CB 3.78Å; C2-C29 WeakPolarHBondContact CB-SG 3.4Å; C2-C29 PolarHBondContact N-SG 3.08Å; C2-C29 WeakPolarHBondContact SG-CB 3.33Å; C2-C29 CovalentContact SG-SG 2.04Å; C2-C29 PolarHBondContact SG-SG 3.48Å; Y26-C29 VanDerWaalsContact O-CB 3.25Å; Y26-C29 WeakPolarHBondContact O-CB 3.17Å; Y26-C29 PolarHBondContact O-N 2.04Å; T27-C29 VanDerWaalsContact C-N 3.25Å; T27-C29 PolarHBondContact O-N 3.45Å; C29-V31 PolarHBondContact SG-O 2.9Å; C29-E52 CarbonylContact O-C 3.23Å; C29-I53 WeakPolarHBondContact O-CA 3.2Å; C29-I53 WeakPolarHBondContact O-CG1 3.26Å; C29-I53 PolarHBondContact O-N 2.94Å
30	Q	91.8	Very high	90.7	Very high	120 Å²	120	30 Å²	30	56%	0.561	16%	0.164	S	C	*	.	S	Bend	trans	-90.5	-22.2	173.3	-63.2	178.5	-3.7	0	0	114.3	E52 V54 E55	Q30-E52 WeakPolarHBondContact CA-O 3.22Å; Q30-V54 HydrophobicContact CB-CG2 4.38Å; Q30-V54 PolarHBondContact O-N 3.14Å; Q30-E55 PolarHBondContact O-N 2.8Å
31	V	90.8	Very high	90.9	Very high	35 Å²	35	27.1 Å²	27.1	21%	0.212	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	120.4	-176.2	-177.1	0	0	0	0	108.9	V1 C2 C29 E55	V1-V31 VanDerWaalsContact CA-O 3.28Å; V1-V31 WeakPolarHBondContact CA-O 3.42Å; V1-V31 HydrophobicContact CG1-CB 4.48Å; V1-V31 WeakPolarHBondContact CG1-O 3.26Å; V1-V31 HydrophobicContact CG2-CB 4.37Å; C2-V31 PolarHBondContact N-O 2.85Å; C29-V31 PolarHBondContact SG-O 2.9Å; V31-E55 WeakPolarHBondContact CA-O 3.45Å; V31-E55 HydrophobicContact CG1-CB 4.29Å; V31-E55 HydrophobicContact CG1-CG 4.17Å; V31-E55 HydrophobicContact CG2-CB 4.35Å
32	V	91.4	Very high	90.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	109.2	177.7	-171.6	0	0	0	0	109	G4 Y26 G34 I53 E55 V56 Q57	G4-V32 VanDerWaalsContact CA-CG1 3.48Å; Y26-V32 HydrophobicContact CD1-CG2 4.31Å; Y26-V32 HydrophobicContact CE1-CG1 4.11Å; Y26-V32 HydrophobicContact CE1-CG2 4.03Å; V32-G34 PolarHBondContact O-N 3.49Å; V32-I53 HydrophobicContact CG2-CD1 4.39Å; V32-I53 HydrophobicContact CG2-CG1 4.48Å; V32-I53 HydrophobicContact CG2-CG2 3.99Å; V32-E55 PolarHBondContact N-O 2.85Å; V32-V56 HydrophobicContact CB-CG1 4.46Å; V32-V56 HydrophobicContact CB-CG2 4.18Å; V32-V56 HydrophobicContact CG2-CG2 4.09Å; V32-Q57 VanDerWaalsContact O-CB 3.24Å; V32-Q57 WeakPolarHBondContact O-CB 3Å; V32-Q57 PolarHBondContact O-N 2.87Å
33	H	86.1	Confident	90.6	Very high	56 Å²	56	33.3 Å²	33.3	26%	0.259	20%	0.201	S	C	.	.	S	Bend	trans	-82.5	41.5	-179.1	-160.6	-110.6	0	0	0	112.4	V1 C2 L3 G252 Y263	V1-H33 HydrophobicContact CG1-CB 4.03Å; C2-H33 PolarHBondContact O-N 3.4Å; L3-H33 CarbonylContact O-C 3.54Å; H33-G252 WeakPolarHBondContact NE2-CA 3.45Å; H33-G252 PolarHBondContact NE2-N 3.41Å; H33-Y263 AromaticContact CE1-CE1 3.82Å; H33-Y263 PolarHBondContact ND1-OH 2.81Å
34	G	87.9	Confident	90.4	Very high	9 Å²	9	35.9 Å²	35.9	9%	0.093	22%	0.221	C	C	.	.	S	Bend	trans	177.9	-145.9	-174.2	0	0	0	0	0	109.2	L3 V32 G58	L3-G34 VanDerWaalsContact O-CA 3.31Å; L3-G34 WeakPolarHBondContact O-CA 3.38Å; L3-G34 PolarHBondContact O-N 2.96Å; V32-G34 PolarHBondContact O-N 3.49Å; G34-G58 WeakPolarHBondContact O-CA 3.38Å; G34-G58 PolarHBondContact O-N 3.41Å
35	N	93.1	Very high	90.6	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.053	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-96.4	148.7	179.2	-38.1	-60.1	0	0	0	111.2	G4 T5 D6 Y26 E37 G58 Y59 H82	G4-N35 CarbonylContact C-O 3.51Å; G4-N35 WeakPolarHBondContact CA-O 3.41Å; T5-N35 PolarHBondContact N-O 2.81Å; T5-N35 WeakPolarHBondContact O-CB 3.42Å; T5-N35 PolarHBondContact O-ND2 2.99Å; D6-N35 PolarHBondContact OD1-ND2 2.94Å; Y26-N35 PolarHBondContact OH-O 2.97Å; N35-E37 HydrophobicContact CB-CG 4.24Å; N35-G58 WeakPolarHBondContact OD1-CA 3.41Å; N35-Y59 CarbonylContact C-O 3.47Å; N35-Y59 VanDerWaalsContact CA-O 3.27Å; N35-Y59 WeakPolarHBondContact CA-O 3.22Å; N35-Y59 HydrophobicContact CB-CD1 4.04Å; N35-Y59 HydrophobicContact CB-CD2 4.04Å; N35-Y59 HydrophobicContact CB-CE1 3.93Å; N35-Y59 HydrophobicContact CB-CE2 3.94Å; N35-Y59 HydrophobicContact CB-CG 4.1Å; N35-Y59 WeakPolarHBondContact CB-O 3.31Å; N35-Y59 VanDerWaalsContact CG-CD1 3.45Å; N35-Y59 WeakPolarHBondContact ND2-CE1 3.43Å; N35-Y59 WeakPolarHBondContact OD1-CD1 3.48Å; N35-Y59 WeakPolarHBondContact OD1-CE1 3.47Å; N35-Y59 PolarHBondContact OD1-N 2.9Å; N35-H82 WeakPolarHBondContact OD1-CB 3.37Å
36	L	96.7	Very high	90.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	102.2	172.7	172.9	60.5	0	0	0	109	Y26 I38 I53 V56 Y59 V60 L61 L72	Y26-L36 HydrophobicContact CD1-CD1 4.06Å; Y26-L36 HydrophobicContact CD2-CD1 4.35Å; Y26-L36 HydrophobicContact CE1-CD1 3.6Å; Y26-L36 HydrophobicContact CE2-CD1 3.92Å; Y26-L36 HydrophobicContact CG-CD1 4.44Å; L36-I38 HydrophobicContact CD1-CD1 4.06Å; L36-I38 HydrophobicContact CD1-CG1 4.33Å; L36-I53 HydrophobicContact CD1-CD1 3.86Å; L36-I53 HydrophobicContact CD2-CD1 3.94Å; L36-I53 HydrophobicContact CD2-CG2 4.4Å; L36-V56 HydrophobicContact CB-CG1 4.11Å; L36-V56 HydrophobicContact CB-CG2 3.89Å; L36-V56 HydrophobicContact CD2-CG2 3.88Å; L36-Y59 PolarHBondContact N-O 2.98Å; L36-V60 HydrophobicContact CB-CG2 4.31Å; L36-V60 HydrophobicContact CD2-CG1 4.34Å; L36-V60 HydrophobicContact CD2-CG2 4.38Å; L36-V60 HydrophobicContact CG-CG1 4.49Å; L36-V60 CarbonylContact O-C 3.55Å; L36-V60 WeakPolarHBondContact O-CA 3.04Å; L36-L61 PolarHBondContact O-N 3.41Å; L36-L72 HydrophobicContact CD2-CD1 4.18Å; L36-L72 HydrophobicContact CD2-CD2 3.8Å
37	E	95.9	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.8	-179.5	-48.7	173.4	124.6	0	0	110.7	T5 D6 M7 K8 N35 Y59 L61	T5-E37 VanDerWaalsContact C-OE2 3.23Å; T5-E37 WeakPolarHBondContact CB-OE2 3.19Å; T5-E37 WeakPolarHBondContact OG1-CB 3.04Å; T5-E37 WeakPolarHBondContact OG1-CG 3.41Å; T5-E37 PolarHBondContact OG1-OE2 2.82Å; D6-E37 WeakPolarHBondContact CA-OE2 3.46Å; D6-E37 PolarHBondContact N-OE2 2.88Å; D6-E37 VanDerWaalsContact N-OE2 3.16Å; M7-E37 HydrophobicContact CE-CB 4.28Å; M7-E37 PolarHBondContact N-OE1 3.14Å; M7-E37 PolarHBondContact N-OE2 3.07Å; K8-E37 VanDerWaalsContact CA-OE1 3.24Å; K8-E37 WeakPolarHBondContact CA-OE1 3.45Å; K8-E37 PolarHBondContact N-OE1 3.35Å; N35-E37 HydrophobicContact CB-CG 4.24Å; E37-Y59 HydrophobicContact CG-CE2 4.19Å; E37-Y59 PolarHBondContact OE1-OH 2.91Å; E37-Y59 VanDerWaalsContact OE1-OH 3.1Å; E37-L61 CarbonylContact C-O 3.49Å; E37-L61 WeakPolarHBondContact CA-O 3.06Å; E37-L61 HydrophobicContact CB-CB 4.4Å; E37-L61 HydrophobicContact CG-CB 4.19Å; E37-L61 HydrophobicContact CG-CD2 4.43Å
38	I	95.7	Very high	91.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	93	176.5	-53.3	-62.5	0	0	0	106.9	L22 Y26 L36 L41 L50 L61 I62 A63 V65	L22-I38 HydrophobicContact CD1-CD1 4.25Å; Y26-I38 HydrophobicContact CE2-CD1 4.36Å; L36-I38 HydrophobicContact CD1-CD1 4.06Å; L36-I38 HydrophobicContact CD1-CG1 4.33Å; I38-L41 HydrophobicContact CG2-CD1 3.68Å; I38-L50 HydrophobicContact CD1-CD1 3.83Å; I38-L50 HydrophobicContact CD1-CD2 3.83Å; I38-L50 HydrophobicContact CD1-CG 4.5Å; I38-L50 HydrophobicContact CG1-CD1 4.08Å; I38-L61 PolarHBondContact N-O 2.89Å; I38-I62 HydrophobicContact CB-CG1 4.4Å; I38-I62 WeakPolarHBondContact O-CA 3.41Å; I38-A63 PolarHBondContact O-N 3.28Å; I38-V65 HydrophobicContact CG2-CG1 4.47Å; I38-V65 WeakPolarHBondContact O-CG1 3.41Å
39	T	94.4	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162	-171.7	61.2	0	0	0	0	113.2	H18 L41 L61 A63	H18-T39 PolarHBondContact CD2-O 2.66Å; H18-T39 PolarHBondContact NE2-O 2.83Å; H18-T39 VanDerWaalsContact NE2-O 3.15Å; T39-L41 PolarHBondContact O-N 2.04Å; T39-L61 HydrophobicContact CG2-CD2 4.07Å; T39-L61 HydrophobicContact CG2-CG 4.14Å; T39-A63 CarbonylContact C-O 3.59Å; T39-A63 WeakPolarHBondContact CA-O 3.32Å; T39-A63 WeakPolarHBondContact CB-O 3.09Å; T39-A63 HydrophobicContact CG2-CB 4.01Å
40	H	92.4	Very high	92	Very high	32 Å²	32	35.5 Å²	35.5	15%	0.148	21%	0.208	C	C	.	.	S	Bend	trans	54.4	18.3	171.4	-59.6	-71	0	0	0	116.8	L9 A10 P12 L15 S42 A63 H64	L9-H40 PolarHBondContact O-NE2 2.73Å; A10-H40 PolarHBondContact O-CD2 3.24Å; A10-H40 PolarHBondContact O-NE2 3.47Å; P12-H40 HydrophobicContact CG-CB 4.45Å; L15-H40 HydrophobicContact CD2-CB 3.96Å; H40-S42 PolarHBondContact O-N 2.76Å; H40-A63 PolarHBondContact N-O 3.35Å; H40-H64 AromaticContact CE1-CD2 3.68Å
41	L	92.4	Very high	92.1	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.042	20%	0.2	C	C	.	.			trans	-77.9	115.9	-178.1	-74	-178.2	0	0	0	112.7	L22 I38 T39 L47 V65 S66	L22-L41 HydrophobicContact CD1-CD1 4.02Å; L22-L41 HydrophobicContact CD1-CD2 4.1Å; L22-L41 HydrophobicContact CD1-CG 4.15Å; I38-L41 HydrophobicContact CG2-CD1 3.68Å; T39-L41 PolarHBondContact O-N 2.04Å; L41-L47 HydrophobicContact CD1-CD1 4.16Å; L41-L47 HydrophobicContact CD1-CD2 3.86Å; L41-V65 HydrophobicContact CB-CB 4.23Å; L41-V65 HydrophobicContact CB-CG1 4.17Å; L41-S66 PolarHBondContact O-N 3.26Å; L41-S66 PolarHBondContact O-OG 2.71Å
42	S	87.6	Confident	92.2	Very high	97 Å²	97	36.5 Å²	36.5	68%	0.678	21%	0.21	S	C	*	.			trans	-97.6	150.5	176.6	63	0	0	0	0	112.9	H40 P45 S66	H40-S42 PolarHBondContact O-N 2.76Å; S42-P45 WeakPolarHBondContact O-CD 3.26Å; S42-S66 VanDerWaalsContact CA-OG 3.27Å; S42-S66 WeakPolarHBondContact CA-OG 3.5Å
43	G	85.6	Confident	92.5	Very high	42 Å²	42	36.5 Å²	36.5	43%	0.433	21%	0.21	S	C	.	.	S	Bend	trans	77.5	-148.3	177.1	0	0	0	0	0	114.1	S66	G43-S66 PolarHBondContact N-OG 2.88Å
44	N	86	Confident	92.9	Very high	136 Å²	136	35.6 Å²	35.6	73%	0.727	21%	0.208	S	C	*	.			trans	-123.3	59	179.5	-66.4	-59.7	0	0	0	112.7
45	P	91.2	Very high	93.2	Very high	32 Å²	32	36.2 Å²	36.2	21%	0.208	21%	0.209	C	C	.	.			trans	-60.5	149.6	169	24.3	-33.8	0	0	0	112.5	Y19 S42 L47 V67	Y19-P45 HydrophobicContact CD2-CB 3.36Å; Y19-P45 HydrophobicContact CD2-CG 4.19Å; Y19-P45 HydrophobicContact CE2-CB 3.46Å; Y19-P45 VanDerWaalsContact CE2-CB 3.46Å; Y19-P45 HydrophobicContact CG-CB 3.93Å; S42-P45 WeakPolarHBondContact O-CD 3.26Å; P45-L47 PolarHBondContact O-N 2.83Å; P45-V67 HydrophobicContact CG-CG1 3.67Å
46	D	92.6	Very high	93.4	Very high	98 Å²	98	35.8 Å²	35.8	52%	0.524	21%	0.206	S	C	.	.			trans	-79.5	118.6	172.4	179.3	28	0	0	0	111	Y19 S48 F49	Y19-D46 VanDerWaalsContact CE2-O 3.26Å; Y19-D46 WeakPolarHBondContact CE2-O 3.05Å; Y19-D46 PolarHBondContact OH-O 3.34Å; D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.43Å; D46-S48 PolarHBondContact OD1-N 2.71Å; D46-S48 PolarHBondContact OD1-OG 2.04Å; D46-S48 VanDerWaalsContact OD2-CB 3.29Å; D46-S48 WeakPolarHBondContact OD2-CB 3.4Å; D46-S48 PolarHBondContact OD2-OG 2.76Å; D46-F49 WeakPolarHBondContact O-CE1 3.43Å
47	L	95.4	Very high	93.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	21%	0.213	C	C	.	.			trans	-101.6	17.4	177.5	-61.6	-177.7	0	0	0	113	Y19 L41 P45 F49 L50 V67 V70 P71	Y19-L47 HydrophobicContact CD2-CD2 4.49Å; Y19-L47 HydrophobicContact CE2-CD2 4.26Å; L41-L47 HydrophobicContact CD1-CD1 4.16Å; L41-L47 HydrophobicContact CD1-CD2 3.86Å; P45-L47 PolarHBondContact O-N 2.83Å; L47-F49 HydrophobicContact CD2-CE1 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.86Å; L47-F49 PolarHBondContact O-N 3.33Å; L47-F49 VanDerWaalsContact O-N 3.12Å; L47-L50 HydrophobicContact CB-CD1 4.06Å; L47-L50 HydrophobicContact CB-CG 4.45Å; L47-L50 HydrophobicContact CD1-CD1 4.32Å; L47-L50 HydrophobicContact CD2-CD1 4.42Å; L47-L50 WeakPolarHBondContact O-CB 3.39Å; L47-L50 PolarHBondContact O-N 2.71Å; L47-V67 HydrophobicContact CD1-CB 4.45Å; L47-V67 HydrophobicContact CD1-CG1 4.28Å; L47-V67 HydrophobicContact CD1-CG2 3.93Å; L47-V70 HydrophobicContact CD1-CG2 4.14Å; L47-P71 HydrophobicContact CB-CG 4.3Å; L47-P71 WeakPolarHBondContact O-CG 3.25Å
48	S	94.9	Very high	93	Very high	49 Å²	49	37.3 Å²	37.3	34%	0.343	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-51.1	-33.3	179.2	62	0	0	0	0	114.5	D46 L50 K51	D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.43Å; D46-S48 PolarHBondContact OD1-N 2.71Å; D46-S48 PolarHBondContact OD1-OG 2.04Å; D46-S48 VanDerWaalsContact OD2-CB 3.29Å; D46-S48 WeakPolarHBondContact OD2-CB 3.4Å; D46-S48 PolarHBondContact OD2-OG 2.76Å; S48-L50 PolarHBondContact O-N 3.11Å; S48-K51 VanDerWaalsContact O-CB 3.29Å; S48-K51 WeakPolarHBondContact O-CB 3.02Å; S48-K51 VanDerWaalsContact O-CG 3.27Å; S48-K51 WeakPolarHBondContact O-CG 3.31Å; S48-K51 PolarHBondContact O-N 3.07Å
49	F	93.3	Very high	93	Very high	16 Å²	16	37.5 Å²	37.5	7%	0.07	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.3	178.1	62.3	-91.1	0	0	0	113.9	Y19 L22 R23 D46 L47 K51	Y19-F49 AromaticContact CE2-CE1 3.9Å; Y19-F49 HydrophobicContact CE2-CE1 3.9Å; L22-F49 HydrophobicContact CB-CZ 4.4Å; L22-F49 WeakPolarHBondContact O-CE2 3.41Å; R23-F49 HydrophobicContact CB-CD1 4.3Å; R23-F49 HydrophobicContact CB-CE1 3.93Å; R23-F49 HydrophobicContact CB-CZ 4.08Å; R23-F49 HydrophobicContact CG-CD1 3.76Å; R23-F49 HydrophobicContact CG-CE1 3.9Å; R23-F49 HydrophobicContact CG-CG 4.17Å; R23-F49 HydrophobicContact CG-CZ 4.44Å; D46-F49 WeakPolarHBondContact O-CE1 3.43Å; L47-F49 HydrophobicContact CD2-CE1 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.86Å; L47-F49 PolarHBondContact O-N 3.33Å; L47-F49 VanDerWaalsContact O-N 3.12Å; F49-K51 PolarHBondContact O-N 2.79Å
50	L	95.9	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-67.4	-16.9	177.7	-62.6	-178.7	0	0	0	113.1	Y26 I38 L47 S48 E52 I53 V70 L72	Y26-L50 HydrophobicContact CD2-CD2 4.26Å; Y26-L50 HydrophobicContact CG-CD2 4.24Å; I38-L50 HydrophobicContact CD1-CD1 3.83Å; I38-L50 HydrophobicContact CD1-CD2 3.83Å; I38-L50 HydrophobicContact CD1-CG 4.5Å; I38-L50 HydrophobicContact CG1-CD1 4.08Å; L47-L50 HydrophobicContact CB-CD1 4.06Å; L47-L50 HydrophobicContact CB-CG 4.45Å; L47-L50 HydrophobicContact CD1-CD1 4.32Å; L47-L50 HydrophobicContact CD2-CD1 4.42Å; L47-L50 WeakPolarHBondContact O-CB 3.39Å; L47-L50 PolarHBondContact O-N 2.71Å; S48-L50 PolarHBondContact O-N 3.11Å; L50-E52 PolarHBondContact O-N 3.01Å; L50-I53 HydrophobicContact CB-CD1 4.46Å; L50-I53 HydrophobicContact CD2-CD1 3.85Å; L50-I53 PolarHBondContact O-N 2.98Å; L50-V70 HydrophobicContact CD1-CG1 4.18Å; L50-L72 HydrophobicContact CB-CD2 4.01Å
51	K	94.4	Very high	93.5	Very high	86 Å²	86	36 Å²	36	37%	0.374	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.1	-179.2	-68.9	177.5	177.2	175.3	0	113.8	S48 F49 I53 P71 D73 N74	S48-K51 VanDerWaalsContact O-CB 3.29Å; S48-K51 WeakPolarHBondContact O-CB 3.02Å; S48-K51 VanDerWaalsContact O-CG 3.27Å; S48-K51 WeakPolarHBondContact O-CG 3.31Å; S48-K51 PolarHBondContact O-N 3.07Å; F49-K51 PolarHBondContact O-N 2.79Å; K51-I53 VanDerWaalsContact C-N 3.3Å; K51-P71 WeakPolarHBondContact CA-O 3.41Å; K51-P71 HydrophobicContact CG-CB 3.94Å; K51-P71 HydrophobicContact CG-CG 4.14Å; K51-P71 WeakPolarHBondContact CG-O 3.43Å; K51-P71 PolarHBondContact N-O 2.85Å; K51-D73 VanDerWaalsContact CE-OD2 3.32Å; K51-D73 WeakPolarHBondContact CE-OD2 3.38Å; K51-D73 HydrophobicContact CG-CB 4.39Å; K51-N74 WeakPolarHBondContact O-CB 3.48Å; K51-N74 PolarHBondContact O-ND2 2.04Å
52	E	93.4	Very high	93.7	Very high	91 Å²	91	35.6 Å²	35.6	43%	0.425	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-77.6	-17.2	-178.6	-62.5	-171.6	155	0	0	112.8	G28 C29 Q30 L50 V54	G28-E52 WeakPolarHBondContact CA-OE2 3.42Å; G28-E52 PolarHBondContact N-OE2 2.91Å; C29-E52 CarbonylContact O-C 3.23Å; Q30-E52 WeakPolarHBondContact CA-O 3.22Å; L50-E52 PolarHBondContact O-N 3.01Å; E52-V54 WeakPolarHBondContact O-CG2 3.38Å; E52-V54 PolarHBondContact O-N 2.88Å
53	I	96.5	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.			trans	-68.6	122.3	-177.5	-59.5	167.7	0	0	0	110	Y26 C29 V32 L36 L50 K51 V56 L72 N74 L75	Y26-I53 HydrophobicContact CD1-CD1 4.14Å; Y26-I53 HydrophobicContact CG-CD1 4.45Å; C29-I53 WeakPolarHBondContact O-CA 3.2Å; C29-I53 WeakPolarHBondContact O-CG1 3.26Å; C29-I53 PolarHBondContact O-N 2.94Å; V32-I53 HydrophobicContact CG2-CD1 4.39Å; V32-I53 HydrophobicContact CG2-CG1 4.48Å; V32-I53 HydrophobicContact CG2-CG2 3.99Å; L36-I53 HydrophobicContact CD1-CD1 3.86Å; L36-I53 HydrophobicContact CD2-CD1 3.94Å; L36-I53 HydrophobicContact CD2-CG2 4.4Å; L50-I53 HydrophobicContact CB-CD1 4.46Å; L50-I53 HydrophobicContact CD2-CD1 3.85Å; L50-I53 PolarHBondContact O-N 2.98Å; K51-I53 VanDerWaalsContact C-N 3.3Å; I53-V56 HydrophobicContact CG2-CG2 4.07Å; I53-L72 HydrophobicContact CB-CD2 4.5Å; I53-L72 HydrophobicContact CD1-CD2 4.2Å; I53-N74 CarbonylContact O-C 3.56Å; I53-N74 VanDerWaalsContact O-C 3.23Å; I53-L75 HydrophobicContact CG2-CD1 4.38Å; I53-L75 WeakPolarHBondContact O-CA 3.2Å; I53-L75 PolarHBondContact O-N 2.84Å; I53-L75 VanDerWaalsContact O-N 3.1Å
54	V	95.2	Very high	94.6	Very high	37 Å²	37	32.5 Å²	32.5	22%	0.224	17%	0.168	C	C	.	.			trans	-108	-30.9	179.5	-172.5	0	0	0	0	112	Q30 E52 N74 R76	Q30-V54 HydrophobicContact CB-CG2 4.38Å; Q30-V54 PolarHBondContact O-N 3.14Å; E52-V54 WeakPolarHBondContact O-CG2 3.38Å; E52-V54 PolarHBondContact O-N 2.88Å; V54-N74 WeakPolarHBondContact CA-O 3.37Å; V54-N74 HydrophobicContact CG2-CB 4.41Å; V54-R76 HydrophobicContact CG1-CB 4.38Å; V54-R76 HydrophobicContact CG1-CG 3.94Å; V54-R76 PolarHBondContact O-N 2.62Å
55	E	94.4	Very high	95	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.103	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.6	-172.7	172.1	165.5	135.9	0	0	112.2	Q30 V31 V32 I77 R79	Q30-E55 PolarHBondContact O-N 2.8Å; V31-E55 WeakPolarHBondContact CA-O 3.45Å; V31-E55 HydrophobicContact CG1-CB 4.29Å; V31-E55 HydrophobicContact CG1-CG 4.17Å; V31-E55 HydrophobicContact CG2-CB 4.35Å; V32-E55 PolarHBondContact N-O 2.85Å; E55-I77 HydrophobicContact CB-CG2 3.88Å; E55-I77 HydrophobicContact CG-CG2 3.8Å; E55-R79 VanDerWaalsContact CD-NH2 3.31Å; E55-R79 IonicContact OE1-CZ 3.94Å; E55-R79 IonicContact OE1-NE 2.92Å; E55-R79 PolarHBondContact OE1-NE 3.15Å; E55-R79 IonicContact OE1-NH2 3.57Å; E55-R79 PolarHBondContact OE1-NH2 3.08Å; E55-R79 IonicContact OE2-CZ 2.89Å; E55-R79 IonicContact OE2-NE 3.05Å; E55-R79 PolarHBondContact OE2-NE 3.31Å; E55-R79 IonicContact OE2-NH2 3.77Å; E55-R79 PolarHBondContact OE2-NH2 2.89Å
56	V	96.4	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125	172.2	177.9	0	0	0	0	109.6	V32 L36 I53 V60 L75 I77 I78 R79	V32-V56 HydrophobicContact CB-CG1 4.46Å; V32-V56 HydrophobicContact CB-CG2 4.18Å; V32-V56 HydrophobicContact CG2-CG2 4.09Å; L36-V56 HydrophobicContact CB-CG1 4.11Å; L36-V56 HydrophobicContact CB-CG2 3.89Å; L36-V56 HydrophobicContact CD2-CG2 3.88Å; I53-V56 HydrophobicContact CG2-CG2 4.07Å; V56-V60 HydrophobicContact CB-CG2 4.16Å; V56-V60 HydrophobicContact CG1-CG2 4.05Å; V56-V60 HydrophobicContact CG2-CG2 4.01Å; V56-L75 HydrophobicContact CG2-CD1 3.95Å; V56-I77 PolarHBondContact N-O 3.07Å; V56-I77 VanDerWaalsContact N-O 3.15Å; V56-I78 WeakPolarHBondContact O-CA 3.35Å; V56-R79 PolarHBondContact O-N 2.8Å
57	Q	92.6	Very high	95.1	Very high	32 Å²	32	22.4 Å²	22.4	15%	0.15	12%	0.116	C	C	.	.	S	Bend	trans	-76.3	-43.1	-176.2	-174.5	69.4	62.1	0	0	112.3	V32 R79 G80 S81	V32-Q57 VanDerWaalsContact O-CB 3.24Å; V32-Q57 WeakPolarHBondContact O-CB 3Å; V32-Q57 PolarHBondContact O-N 2.87Å; Q57-R79 WeakPolarHBondContact O-CB 3.03Å; Q57-G80 PolarHBondContact O-N 3.41Å; Q57-S81 PolarHBondContact O-N 3.15Å; Q57-S81 PolarHBondContact O-OG 3.15Å; Q57-S81 VanDerWaalsContact O-OG 3.1Å
58	G	93.1	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-89.7	-127.3	177.5	0	0	0	0	0	112.9	G34 N35 I78 G80	G34-G58 WeakPolarHBondContact O-CA 3.38Å; G34-G58 PolarHBondContact O-N 3.41Å; N35-G58 WeakPolarHBondContact OD1-CA 3.41Å; G58-I78 WeakPolarHBondContact O-CG2 3.31Å; G58-G80 WeakPolarHBondContact O-CA 3.46Å; G58-G80 PolarHBondContact O-N 3.17Å; G58-G80 VanDerWaalsContact O-N 3.14Å
59	Y	96.1	Very high	94.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.016	13%	0.133	C	C	.	.			trans	-108.1	164.3	175.7	61.6	-94.9	0	0	0	113.2	D6 K8 N35 L36 E37 L61 H82 Y84 S89	D6-Y59 PolarHBondContact OD1-OH 2.87Å; K8-Y59 WeakPolarHBondContact CG-OH 3.49Å; N35-Y59 CarbonylContact C-O 3.47Å; N35-Y59 VanDerWaalsContact CA-O 3.27Å; N35-Y59 WeakPolarHBondContact CA-O 3.22Å; N35-Y59 HydrophobicContact CB-CD1 4.04Å; N35-Y59 HydrophobicContact CB-CD2 4.04Å; N35-Y59 HydrophobicContact CB-CE1 3.93Å; N35-Y59 HydrophobicContact CB-CE2 3.94Å; N35-Y59 HydrophobicContact CB-CG 4.1Å; N35-Y59 WeakPolarHBondContact CB-O 3.31Å; N35-Y59 VanDerWaalsContact CG-CD1 3.45Å; N35-Y59 WeakPolarHBondContact ND2-CE1 3.43Å; N35-Y59 WeakPolarHBondContact OD1-CD1 3.48Å; N35-Y59 WeakPolarHBondContact OD1-CE1 3.47Å; N35-Y59 PolarHBondContact OD1-N 2.9Å; L36-Y59 PolarHBondContact N-O 2.98Å; E37-Y59 HydrophobicContact CG-CE2 4.19Å; E37-Y59 PolarHBondContact OE1-OH 2.91Å; E37-Y59 VanDerWaalsContact OE1-OH 3.1Å; Y59-L61 HydrophobicContact CD2-CB 4.06Å; Y59-L61 HydrophobicContact CE2-CB 3.96Å; Y59-L61 HydrophobicContact CE2-CD2 4.44Å; Y59-H82 HydrophobicContact CD1-CB 3.94Å; Y59-H82 HydrophobicContact CE1-CB 4.28Å; Y59-Y84 AromaticContact CE2-CD2 4Å; Y59-Y84 HydrophobicContact CE2-CD2 4Å; Y59-Y84 HydrophobicContact CE2-CG 4.43Å; Y59-S89 CarbonylContact C-O 3.45Å; Y59-S89 WeakPolarHBondContact CA-O 3.37Å
60	V	98.1	Very high	95.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.4	169.3	-178.6	0	0	0	0	109	L36 V56 I62 L72 L75 I78 S89 L90 A91	L36-V60 HydrophobicContact CB-CG2 4.31Å; L36-V60 HydrophobicContact CD2-CG1 4.34Å; L36-V60 HydrophobicContact CD2-CG2 4.38Å; L36-V60 HydrophobicContact CG-CG1 4.49Å; L36-V60 CarbonylContact O-C 3.55Å; L36-V60 WeakPolarHBondContact O-CA 3.04Å; V56-V60 HydrophobicContact CB-CG2 4.16Å; V56-V60 HydrophobicContact CG1-CG2 4.05Å; V56-V60 HydrophobicContact CG2-CG2 4.01Å; V60-I62 HydrophobicContact CG1-CG1 4.42Å; V60-L72 HydrophobicContact CG1-CD1 4.43Å; V60-L75 HydrophobicContact CG2-CD2 4.21Å; V60-I78 HydrophobicContact CB-CD1 4.21Å; V60-I78 HydrophobicContact CG2-CD1 3.59Å; V60-I78 HydrophobicContact CG2-CG1 3.89Å; V60-I78 HydrophobicContact CG2-CG2 4.4Å; V60-S89 PolarHBondContact N-O 2.98Å; V60-L90 HydrophobicContact CB-CD1 3.92Å; V60-L90 HydrophobicContact CG1-CD1 3.93Å; V60-L90 WeakPolarHBondContact O-CA 3.47Å; V60-A91 PolarHBondContact O-N 2.94Å
61	L	97.8	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.1	177.1	176.5	65.3	0	0	0	110.2	K8 L9 L36 E37 I38 T39 Y59 A63 Y84 A91 L93	K8-L61 WeakPolarHBondContact O-CD2 3.4Å; L9-L61 HydrophobicContact CD2-CD2 4.29Å; L36-L61 PolarHBondContact O-N 3.41Å; E37-L61 CarbonylContact C-O 3.49Å; E37-L61 WeakPolarHBondContact CA-O 3.06Å; E37-L61 HydrophobicContact CB-CB 4.4Å; E37-L61 HydrophobicContact CG-CB 4.19Å; E37-L61 HydrophobicContact CG-CD2 4.43Å; I38-L61 PolarHBondContact N-O 2.89Å; T39-L61 HydrophobicContact CG2-CD2 4.07Å; T39-L61 HydrophobicContact CG2-CG 4.14Å; Y59-L61 HydrophobicContact CD2-CB 4.06Å; Y59-L61 HydrophobicContact CE2-CB 3.96Å; Y59-L61 HydrophobicContact CE2-CD2 4.44Å; L61-A63 HydrophobicContact CD1-CB 4.07Å; L61-A63 HydrophobicContact CG-CB 4.36Å; L61-Y84 HydrophobicContact CD1-CD1 4.43Å; L61-Y84 HydrophobicContact CD1-CD2 4.08Å; L61-Y84 HydrophobicContact CD1-CE1 4.36Å; L61-Y84 HydrophobicContact CD1-CE2 4Å; L61-Y84 HydrophobicContact CD1-CG 4.3Å; L61-Y84 HydrophobicContact CD2-CD2 3.88Å; L61-Y84 HydrophobicContact CD2-CE2 3.73Å; L61-Y84 HydrophobicContact CG-CD2 4.48Å; L61-A91 CarbonylContact C-O 3.49Å; L61-A91 WeakPolarHBondContact CA-O 3.29Å; L61-A91 HydrophobicContact CD1-CB 3.71Å; L61-L93 HydrophobicContact CD1-CD1 4.27Å
62	I	97.7	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	108.2	173.9	-58.3	173.2	0	0	0	107.3	I38 V60 V65 V70 L72 A91 V92 L93 N95 L98 L101	I38-I62 HydrophobicContact CB-CG1 4.4Å; I38-I62 WeakPolarHBondContact O-CA 3.41Å; V60-I62 HydrophobicContact CG1-CG1 4.42Å; I62-V65 HydrophobicContact CG2-CG1 4.4Å; I62-V65 HydrophobicContact CG2-CG2 4.16Å; I62-V70 HydrophobicContact CD1-CB 4.49Å; I62-V70 HydrophobicContact CD1-CG1 3.95Å; I62-V70 HydrophobicContact CG2-CG2 4.39Å; I62-L72 HydrophobicContact CD1-CD1 4.31Å; I62-A91 PolarHBondContact N-O 3.03Å; I62-V92 HydrophobicContact CB-CG1 4.49Å; I62-V92 CarbonylContact O-C 3.55Å; I62-V92 VanDerWaalsContact O-CA 3.31Å; I62-V92 WeakPolarHBondContact O-CA 3.35Å; I62-L93 PolarHBondContact O-N 3.2Å; I62-N95 PolarHBondContact O-ND2 3.14Å; I62-L98 HydrophobicContact CG2-CD2 4.2Å; I62-L101 HydrophobicContact CD1-CD1 3.4Å; I62-L101 VanDerWaalsContact CD1-CD1 3.4Å; I62-L101 HydrophobicContact CD1-CD2 3.87Å; I62-L101 HydrophobicContact CD1-CG 4.26Å
63	A	96.7	Very high	95.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	141.7	-170.5	0	0	0	0	0	115.6	L9 I38 T39 H40 L61 V65 L93 N95	L9-A63 HydrophobicContact CD2-CB 3.34Å; I38-A63 PolarHBondContact O-N 3.28Å; T39-A63 CarbonylContact C-O 3.59Å; T39-A63 WeakPolarHBondContact CA-O 3.32Å; T39-A63 WeakPolarHBondContact CB-O 3.09Å; T39-A63 HydrophobicContact CG2-CB 4.01Å; H40-A63 PolarHBondContact N-O 3.35Å; L61-A63 HydrophobicContact CD1-CB 4.07Å; L61-A63 HydrophobicContact CG-CB 4.36Å; A63-V65 PolarHBondContact O-N 3.15Å; A63-L93 WeakPolarHBondContact CA-O 3.39Å; A63-L93 HydrophobicContact CB-CB 4.15Å; A63-N95 WeakPolarHBondContact CA-OD1 3.06Å; A63-N95 PolarHBondContact N-OD1 2.96Å
64	H	94.4	Very high	95.1	Very high	74 Å²	74	20.6 Å²	20.6	34%	0.343	12%	0.115	S	C	.	.	S	Bend	trans	54.7	30.2	-178.2	-49.4	-45.3	0	0	0	114.7	H40 L93 D94 N95	H40-H64 AromaticContact CE1-CD2 3.68Å; H64-L93 PolarHBondContact N-O 2.97Å; H64-L93 VanDerWaalsContact N-O 3.17Å; H64-D94 IonicContact CE1-OD2 3.78Å; H64-D94 WeakPolarHBondContact ND1-CB 3.48Å; H64-N95 PolarHBondContact N-OD1 3.13Å
65	V	94	Very high	95.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	10%	0.104	C	C	.	.			trans	-91.7	148.4	176.7	-42.9	0	0	0	0	112.7	I38 L41 I62 A63 V67 N95 Q96 L98	I38-V65 HydrophobicContact CG2-CG1 4.47Å; I38-V65 WeakPolarHBondContact O-CG1 3.41Å; L41-V65 HydrophobicContact CB-CB 4.23Å; L41-V65 HydrophobicContact CB-CG1 4.17Å; I62-V65 HydrophobicContact CG2-CG1 4.4Å; I62-V65 HydrophobicContact CG2-CG2 4.16Å; A63-V65 PolarHBondContact O-N 3.15Å; V65-V67 HydrophobicContact CB-CG2 3.98Å; V65-V67 HydrophobicContact CG2-CG2 3.52Å; V65-N95 HydrophobicContact CG2-CB 4.08Å; V65-N95 WeakPolarHBondContact CG2-OD1 3.04Å; V65-N95 PolarHBondContact N-OD1 2.79Å; V65-N95 CarbonylContact O-C 3.37Å; V65-N95 WeakPolarHBondContact O-CA 3.48Å; V65-Q96 PolarHBondContact O-N 3.38Å; V65-L98 HydrophobicContact CG2-CB 4.48Å
66	S	93	Very high	95.2	Very high	47 Å²	47	21.8 Å²	21.8	33%	0.329	12%	0.115	S	C	.	.			trans	-107.8	-3.3	173.9	67.7	0	0	0	0	114.3	L41 S42 G43 G97	L41-S66 PolarHBondContact O-N 3.26Å; L41-S66 PolarHBondContact O-OG 2.71Å; S42-S66 VanDerWaalsContact CA-OG 3.27Å; S42-S66 WeakPolarHBondContact CA-OG 3.5Å; G43-S66 PolarHBondContact N-OG 2.88Å; S66-G97 WeakPolarHBondContact O-CA 3.44Å
67	V	93.6	Very high	95.2	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.024	12%	0.115	C	C	.	.			trans	-61.7	140.7	173.8	-71.3	0	0	0	0	111.3	P45 L47 V65 V70 G97 L98	P45-V67 HydrophobicContact CG-CG1 3.67Å; L47-V67 HydrophobicContact CD1-CB 4.45Å; L47-V67 HydrophobicContact CD1-CG1 4.28Å; L47-V67 HydrophobicContact CD1-CG2 3.93Å; V65-V67 HydrophobicContact CB-CG2 3.98Å; V65-V67 HydrophobicContact CG2-CG2 3.52Å; V67-V70 HydrophobicContact CG2-CG2 3.91Å; V67-G97 CarbonylContact O-C 3.56Å; V67-L98 VanDerWaalsContact O-CA 3.24Å; V67-L98 WeakPolarHBondContact O-CA 3.5Å; V67-L98 PolarHBondContact O-N 2.97Å
68	S	92.9	Very high	95.4	Very high	55 Å²	55	20.3 Å²	20.3	39%	0.385	11%	0.108	S	C	.	.	S	Bend	trans	-77.5	-28.2	-178.9	56.2	0	0	0	0	114.3	G97 K99 T100	S68-G97 WeakPolarHBondContact CA-O 3.18Å; S68-K99 PolarHBondContact O-N 2.87Å; S68-T100 PolarHBondContact O-N 3.18Å
69	L	94.2	Very high	95.4	Very high	63 Å²	63	21 Å²	21	33%	0.33	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.6	-177	172.6	63.7	0	0	0	110.8	P71 T100 R102	L69-P71 HydrophobicContact CG-CB 4.4Å; L69-T100 WeakPolarHBondContact CA-O 3.33Å; L69-T100 HydrophobicContact CD1-CG2 3.62Å; L69-R102 HydrophobicContact CD1-CB 4.31Å
70	V	96	Very high	95.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.7	164.4	176.9	0	0	0	0	108.4	L47 L50 I62 V67 L72 L98 T100 L101 R102	L47-V70 HydrophobicContact CD1-CG2 4.14Å; L50-V70 HydrophobicContact CD1-CG1 4.18Å; I62-V70 HydrophobicContact CD1-CB 4.49Å; I62-V70 HydrophobicContact CD1-CG1 3.95Å; I62-V70 HydrophobicContact CG2-CG2 4.39Å; V67-V70 HydrophobicContact CG2-CG2 3.91Å; V70-L72 HydrophobicContact CG1-CD1 4.23Å; V70-L72 HydrophobicContact CG1-CG 4.19Å; V70-L72 PolarHBondContact O-N 2.87Å; V70-L98 HydrophobicContact CB-CD1 4.42Å; V70-L98 HydrophobicContact CG2-CD1 3.87Å; V70-T100 PolarHBondContact N-O 2.03Å; V70-L101 HydrophobicContact CB-CD1 4.08Å; V70-L101 HydrophobicContact CG1-CD1 4.06Å; V70-R102 PolarHBondContact O-N 2.97Å
71	P	95.6	Very high	94.6	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.032	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	76.5	-169.3	37.7	-35.5	0	0	0	112.5	L47 K51 L69 D73	L47-P71 HydrophobicContact CB-CG 4.3Å; L47-P71 WeakPolarHBondContact O-CG 3.25Å; K51-P71 WeakPolarHBondContact CA-O 3.41Å; K51-P71 HydrophobicContact CG-CB 3.94Å; K51-P71 HydrophobicContact CG-CG 4.14Å; K51-P71 WeakPolarHBondContact CG-O 3.43Å; K51-P71 PolarHBondContact N-O 2.85Å; L69-P71 HydrophobicContact CG-CB 4.4Å; P71-D73 PolarHBondContact O-N 2.87Å; P71-D73 VanDerWaalsContact O-N 3.11Å
72	L	96.8	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.			trans	-87.1	48.2	172.8	-69.9	169.3	0	0	0	110.9	L36 L50 I53 V60 I62 V70 N74 L75 L101 R102 L103	L36-L72 HydrophobicContact CD2-CD1 4.18Å; L36-L72 HydrophobicContact CD2-CD2 3.8Å; L50-L72 HydrophobicContact CB-CD2 4.01Å; I53-L72 HydrophobicContact CB-CD2 4.5Å; I53-L72 HydrophobicContact CD1-CD2 4.2Å; V60-L72 HydrophobicContact CG1-CD1 4.43Å; I62-L72 HydrophobicContact CD1-CD1 4.31Å; V70-L72 HydrophobicContact CG1-CD1 4.23Å; V70-L72 HydrophobicContact CG1-CG 4.19Å; V70-L72 PolarHBondContact O-N 2.87Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 3.33Å; L72-N74 VanDerWaalsContact O-N 3.16Å; L72-L75 HydrophobicContact CB-CB 4.21Å; L72-L75 HydrophobicContact CB-CD2 4.45Å; L72-L75 HydrophobicContact CD1-CD2 4.23Å; L72-L75 PolarHBondContact O-N 3.13Å; L72-L101 HydrophobicContact CD1-CD1 4.26Å; L72-R102 CarbonylContact C-O 3.3Å; L72-R102 WeakPolarHBondContact CA-O 3.01Å; L72-R102 PolarHBondContact N-O 2.77Å; L72-R102 VanDerWaalsContact N-O 3.13Å; L72-L103 HydrophobicContact CB-CD2 3.68Å; L72-L103 HydrophobicContact CD1-CD2 4.03Å
73	D	93.2	Very high	93.9	Very high	17 Å²	17	31.8 Å²	31.8	9%	0.091	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-40	-169.8	-82	-68.4	0	0	0	113.4	K51 P71 R102 R104 S105	K51-D73 VanDerWaalsContact CE-OD2 3.32Å; K51-D73 WeakPolarHBondContact CE-OD2 3.38Å; K51-D73 HydrophobicContact CG-CB 4.39Å; P71-D73 PolarHBondContact O-N 2.87Å; P71-D73 VanDerWaalsContact O-N 3.11Å; D73-R102 WeakPolarHBondContact OD1-CD 3.32Å; D73-R102 IonicContact OD1-NE 3.3Å; D73-R102 IonicContact OD1-NH1 3.43Å; D73-R102 PolarHBondContact OD1-NH1 2.93Å; D73-R102 IonicContact OD2-NH1 2.66Å; D73-R104 WeakPolarHBondContact O-CG 3.25Å; D73-R104 IonicContact OD1-CZ 4Å; D73-R104 IonicContact OD1-NE 2.82Å; D73-S105 VanDerWaalsContact O-CB 3.32Å; D73-S105 WeakPolarHBondContact O-CB 3.47Å; D73-S105 PolarHBondContact O-OG 3.13Å
74	N	95.4	Very high	93.6	Very high	69 Å²	69	33.2 Å²	33.2	37%	0.369	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.1	-174.8	-70.1	-60.9	0	0	0	115.3	K51 I53 V54 L72 R76	K51-N74 WeakPolarHBondContact O-CB 3.48Å; K51-N74 PolarHBondContact O-ND2 2.04Å; I53-N74 CarbonylContact O-C 3.56Å; I53-N74 VanDerWaalsContact O-C 3.23Å; V54-N74 WeakPolarHBondContact CA-O 3.37Å; V54-N74 HydrophobicContact CG2-CB 4.41Å; L72-N74 VanDerWaalsContact C-N 3.28Å; L72-N74 PolarHBondContact O-N 3.33Å; L72-N74 VanDerWaalsContact O-N 3.16Å; N74-R76 WeakPolarHBondContact O-CG 3.25Å; N74-R76 PolarHBondContact O-N 3.32Å; N74-R76 VanDerWaalsContact O-N 3.1Å
75	L	97.3	Very high	93.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.			trans	-66.7	111.2	-176.9	176.1	55.4	0	0	0	110.4	I53 V56 V60 L72 I77 I78 L103 S105 L106	I53-L75 HydrophobicContact CG2-CD1 4.38Å; I53-L75 WeakPolarHBondContact O-CA 3.2Å; I53-L75 PolarHBondContact O-N 2.84Å; I53-L75 VanDerWaalsContact O-N 3.1Å; V56-L75 HydrophobicContact CG2-CD1 3.95Å; V60-L75 HydrophobicContact CG2-CD2 4.21Å; L72-L75 HydrophobicContact CB-CB 4.21Å; L72-L75 HydrophobicContact CB-CD2 4.45Å; L72-L75 HydrophobicContact CD1-CD2 4.23Å; L72-L75 PolarHBondContact O-N 3.13Å; L75-I77 WeakPolarHBondContact CD1-O 3.34Å; L75-I78 HydrophobicContact CD2-CG1 4.36Å; L75-L103 HydrophobicContact CB-CD2 4.49Å; L75-L103 HydrophobicContact CD2-CD2 3.9Å; L75-S105 CarbonylContact O-C 3.57Å; L75-S105 WeakPolarHBondContact O-CB 3.27Å; L75-L106 WeakPolarHBondContact O-CA 3.36Å; L75-L106 PolarHBondContact O-N 2.81Å
76	R	95.3	Very high	92.8	Very high	85 Å²	85	39.1 Å²	39.1	32%	0.321	21%	0.213	S	C	.	.			trans	-93.3	-37.4	-175.5	-65.7	177.2	-167.2	179.3	3.2	113.5	V54 N74 S105 K107 E108 A202 L213	V54-R76 HydrophobicContact CG1-CB 4.38Å; V54-R76 HydrophobicContact CG1-CG 3.94Å; V54-R76 PolarHBondContact O-N 2.62Å; N74-R76 WeakPolarHBondContact O-CG 3.25Å; N74-R76 PolarHBondContact O-N 3.32Å; N74-R76 VanDerWaalsContact O-N 3.1Å; R76-S105 WeakPolarHBondContact CA-O 3.04Å; R76-K107 PolarHBondContact O-N 3.49Å; R76-E108 PolarHBondContact O-N 2.96Å; R76-A202 HydrophobicContact CB-CB 4.06Å; R76-L213 VanDerWaalsContact CD-O 3.29Å; R76-L213 WeakPolarHBondContact CD-O 3.02Å; R76-L213 PolarHBondContact NH1-O 3.45Å
77	I	95.1	Very high	92.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.1	-166.2	-175.8	170.3	0	0	0	112.1	E55 V56 L75 R79 E108 L110 A201 A214	E55-I77 HydrophobicContact CB-CG2 3.88Å; E55-I77 HydrophobicContact CG-CG2 3.8Å; V56-I77 PolarHBondContact N-O 3.07Å; V56-I77 VanDerWaalsContact N-O 3.15Å; L75-I77 WeakPolarHBondContact CD1-O 3.34Å; I77-R79 HydrophobicContact CD1-CG 4.22Å; I77-R79 HydrophobicContact CG1-CG 4.23Å; I77-E108 VanDerWaalsContact CA-O 3.32Å; I77-E108 WeakPolarHBondContact CA-O 3.36Å; I77-E108 HydrophobicContact CB-CB 4.43Å; I77-E108 HydrophobicContact CD1-CB 4.34Å; I77-E108 HydrophobicContact CD1-CG 4.21Å; I77-E108 HydrophobicContact CG1-CB 4.06Å; I77-E108 HydrophobicContact CG1-CG 4.25Å; I77-L110 HydrophobicContact CD1-CD1 4.02Å; I77-L110 HydrophobicContact CD1-CG 4.16Å; I77-A201 HydrophobicContact CD1-CB 3.67Å; I77-A214 HydrophobicContact CB-CB 4.42Å; I77-A214 HydrophobicContact CD1-CB 4.42Å; I77-A214 HydrophobicContact CG2-CB 4Å
78	I	96.6	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	165.7	-54	169	0	0	0	107.1	V56 G58 V60 L75 L90 L106 E108 I109 L110	V56-I78 WeakPolarHBondContact O-CA 3.35Å; G58-I78 WeakPolarHBondContact O-CG2 3.31Å; V60-I78 HydrophobicContact CB-CD1 4.21Å; V60-I78 HydrophobicContact CG2-CD1 3.59Å; V60-I78 HydrophobicContact CG2-CG1 3.89Å; V60-I78 HydrophobicContact CG2-CG2 4.4Å; L75-I78 HydrophobicContact CD2-CG1 4.36Å; I78-L90 HydrophobicContact CD1-CB 4.23Å; I78-L106 HydrophobicContact CD1-CD1 4.21Å; I78-L106 HydrophobicContact CD1-CD2 4.26Å; I78-L106 HydrophobicContact CG1-CD1 4.07Å; I78-E108 PolarHBondContact N-O 3.07Å; I78-I109 HydrophobicContact CB-CG1 4.38Å; I78-I109 HydrophobicContact CD1-CD1 4.47Å; I78-I109 HydrophobicContact CD1-CG1 4.4Å; I78-I109 WeakPolarHBondContact O-CA 3.46Å; I78-L110 PolarHBondContact O-N 3.13Å
79	R	93.1	Very high	92.8	Very high	15 Å²	15	37.1 Å²	37.1	6%	0.057	19%	0.193	C	C	.	.			trans	-84.9	-26.9	-173.2	-61.4	-173.7	176.4	-77.6	-9.7	113.7	E55 V56 Q57 I77 L110 C215 R216	E55-R79 VanDerWaalsContact CD-NH2 3.31Å; E55-R79 IonicContact OE1-CZ 3.94Å; E55-R79 IonicContact OE1-NE 2.92Å; E55-R79 PolarHBondContact OE1-NE 3.15Å; E55-R79 IonicContact OE1-NH2 3.57Å; E55-R79 PolarHBondContact OE1-NH2 3.08Å; E55-R79 IonicContact OE2-CZ 2.89Å; E55-R79 IonicContact OE2-NE 3.05Å; E55-R79 PolarHBondContact OE2-NE 3.31Å; E55-R79 IonicContact OE2-NH2 3.77Å; E55-R79 PolarHBondContact OE2-NH2 2.89Å; V56-R79 PolarHBondContact O-N 2.8Å; Q57-R79 WeakPolarHBondContact O-CB 3.03Å; I77-R79 HydrophobicContact CD1-CG 4.22Å; I77-R79 HydrophobicContact CG1-CG 4.23Å; R79-L110 HydrophobicContact CB-CD1 4.31Å; R79-L110 HydrophobicContact CG-CD1 4.13Å; R79-C215 PolarHBondContact NH1-O 2.84Å; R79-C215 PolarHBondContact NH2-O 2.93Å; R79-R216 PolarHBondContact NH1-O 2.03Å; R79-R216 VanDerWaalsContact NH1-O 3.08Å
80	G	90.8	Very high	92.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.			trans	67.9	37.9	176	0	0	0	0	0	114.3	Q57 G58 H82 F83	Q57-G80 PolarHBondContact O-N 3.41Å; G58-G80 WeakPolarHBondContact O-CA 3.46Å; G58-G80 PolarHBondContact O-N 3.17Å; G58-G80 VanDerWaalsContact O-N 3.14Å; G80-H82 PolarHBondContact O-N 3.01Å; G80-F83 WeakPolarHBondContact O-CE1 3.37Å; G80-F83 WeakPolarHBondContact O-CZ 3.03Å
81	S	88	Confident	93	Very high	60 Å²	60	34.1 Å²	34.1	42%	0.42	18%	0.178	S	C	.	.	S	Bend	trans	-68.8	-16.5	170.4	70.4	0	0	0	0	113.1	Q57	Q57-S81 PolarHBondContact O-N 3.15Å; Q57-S81 PolarHBondContact O-OG 3.15Å; Q57-S81 VanDerWaalsContact O-OG 3.1Å
82	H	88.6	Confident	93	Very high	102 Å²	102	33.9 Å²	33.9	47%	0.472	18%	0.176	S	C	.	.	S	Bend	trans	-132.5	154.7	170.7	-55.9	-80.2	0	0	0	108.4	N35 Y59 G80	N35-H82 WeakPolarHBondContact OD1-CB 3.37Å; Y59-H82 HydrophobicContact CD1-CB 3.94Å; Y59-H82 HydrophobicContact CE1-CB 4.28Å; G80-H82 PolarHBondContact O-N 3.01Å
83	F	91.4	Very high	93	Very high	68 Å²	68	34.9 Å²	34.9	30%	0.298	18%	0.181	S	C	.	.			trans	-127.3	133.5	178	-52.5	-54	0	0	0	111.7	G80 Y88 L111 G112	G80-F83 WeakPolarHBondContact O-CE1 3.37Å; G80-F83 WeakPolarHBondContact O-CZ 3.03Å; F83-Y88 CarbonylContact C-O 3.54Å; F83-Y88 WeakPolarHBondContact CA-O 3.04Å; F83-L111 HydrophobicContact CE1-CB 3.88Å; F83-L111 HydrophobicContact CZ-CB 3.96Å; F83-G112 VanDerWaalsContact CE1-CA 3.49Å
84	Y	91.4	Very high	93.1	Very high	30 Å²	30	37.5 Å²	37.5	12%	0.118	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-64.8	133.3	163.1	-175	-99.6	0	0	0	109.9	K8 L9 Y59 L61 S86 N87 Y88 A91 L93	K8-Y84 HydrophobicContact CB-CE2 4.2Å; L9-Y84 VanDerWaalsContact CD1-OH 3.28Å; L9-Y84 WeakPolarHBondContact CD1-OH 3.27Å; L9-Y84 WeakPolarHBondContact CG-OH 3.36Å; Y59-Y84 AromaticContact CE2-CD2 4Å; Y59-Y84 HydrophobicContact CE2-CD2 4Å; Y59-Y84 HydrophobicContact CE2-CG 4.43Å; L61-Y84 HydrophobicContact CD1-CD1 4.43Å; L61-Y84 HydrophobicContact CD1-CD2 4.08Å; L61-Y84 HydrophobicContact CD1-CE1 4.36Å; L61-Y84 HydrophobicContact CD1-CE2 4Å; L61-Y84 HydrophobicContact CD1-CG 4.3Å; L61-Y84 HydrophobicContact CD2-CD2 3.88Å; L61-Y84 HydrophobicContact CD2-CE2 3.73Å; L61-Y84 HydrophobicContact CG-CD2 4.48Å; Y84-S86 PolarHBondContact O-N 2.96Å; Y84-S86 VanDerWaalsContact O-N 3.13Å; Y84-N87 PolarHBondContact O-N 2.83Å; Y84-N87 VanDerWaalsContact O-N 3.16Å; Y84-Y88 PolarHBondContact N-O 2.84Å; Y84-Y88 PolarHBondContact O-N 2.87Å; Y84-A91 HydrophobicContact CD1-CB 3.75Å; Y84-A91 HydrophobicContact CE1-CB 4.41Å; Y84-A91 HydrophobicContact CG-CB 4.16Å; Y84-L93 HydrophobicContact CD1-CD1 4.37Å; Y84-L93 HydrophobicContact CE1-CD1 3.54Å
85	N	88.1	Confident	93.1	Very high	111 Å²	111	34.2 Å²	34.2	59%	0.594	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	42	-177.1	-160.3	1.5	0	0	0	113.4	N87 Y88	N85-N87 PolarHBondContact O-N 2.66Å; N85-N87 PolarHBondContact O-ND2 2.6Å; N85-Y88 HydrophobicContact CB-CD2 4.29Å; N85-Y88 HydrophobicContact CB-CE2 4.46Å
86	S	82.9	Confident	92.9	Very high	89 Å²	89	39.8 Å²	39.8	62%	0.622	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	6.1	179.4	-55.7	0	0	0	0	116.6	Y84 K142	Y84-S86 PolarHBondContact O-N 2.96Å; Y84-S86 VanDerWaalsContact O-N 3.13Å; S86-K142 PolarHBondContact O-NZ 3.33Å
87	N	89	Confident	92.7	Very high	51 Å²	51	36.3 Å²	36.3	27%	0.273	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	-28	-169.6	-71	-68.2	0	0	0	115.8	Y84 N85 G113 K142 P143	Y84-N87 PolarHBondContact O-N 2.83Å; Y84-N87 VanDerWaalsContact O-N 3.16Å; N85-N87 PolarHBondContact O-N 2.66Å; N85-N87 PolarHBondContact O-ND2 2.6Å; N87-G113 PolarHBondContact O-N 2.87Å; N87-K142 HydrophobicContact CB-CD 4.27Å; N87-K142 WeakPolarHBondContact OD1-CD 3.44Å; N87-K142 PolarHBondContact OD1-NZ 2.83Å; N87-P143 HydrophobicContact CB-CG 4.46Å
88	Y	94.2	Very high	92.6	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.5	-170	-51.1	-73.2	0	0	0	112	F83 Y84 N85 G113 P143 R145	F83-Y88 CarbonylContact C-O 3.54Å; F83-Y88 WeakPolarHBondContact CA-O 3.04Å; Y84-Y88 PolarHBondContact N-O 2.84Å; Y84-Y88 PolarHBondContact O-N 2.87Å; N85-Y88 HydrophobicContact CB-CD2 4.29Å; N85-Y88 HydrophobicContact CB-CE2 4.46Å; Y88-G113 CarbonylContact C-O 3.58Å; Y88-G113 VanDerWaalsContact CA-O 3.26Å; Y88-G113 WeakPolarHBondContact CA-O 3.11Å; Y88-P143 HydrophobicContact CE1-CG 4.02Å; Y88-R145 VanDerWaalsContact OH-CD 3.31Å; Y88-R145 WeakPolarHBondContact OH-CD 3.45Å; Y88-R145 PolarHBondContact OH-NE 2.93Å
89	S	95	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-15.1	169.4	49.2	0	0	0	0	112.2	Y59 V60 I109 L111 G112 G113	Y59-S89 CarbonylContact C-O 3.45Å; Y59-S89 WeakPolarHBondContact CA-O 3.37Å; V60-S89 PolarHBondContact N-O 2.98Å; S89-I109 WeakPolarHBondContact OG-CG2 3.35Å; S89-L111 WeakPolarHBondContact CB-O 3.18Å; S89-L111 PolarHBondContact OG-O 3.2Å; S89-G112 WeakPolarHBondContact OG-CA 3.16Å; S89-G112 PolarHBondContact OG-O 2.72Å; S89-G112 VanDerWaalsContact OG-O 3.04Å; S89-G113 PolarHBondContact N-O 3.01Å
90	L	97.1	Very high	92.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.8	164.9	177	60.7	0	0	0	109.9	V60 I78 V92 L103 L106 G113 V114 S115 W132	V60-L90 HydrophobicContact CB-CD1 3.92Å; V60-L90 HydrophobicContact CG1-CD1 3.93Å; V60-L90 WeakPolarHBondContact O-CA 3.47Å; I78-L90 HydrophobicContact CD1-CB 4.23Å; L90-V92 HydrophobicContact CD1-CG2 4.09Å; L90-V92 HydrophobicContact CG-CG2 4.38Å; L90-L103 HydrophobicContact CD2-CD1 4.12Å; L90-L106 HydrophobicContact CD2-CD2 4.41Å; L90-G113 PolarHBondContact N-O 2.93Å; L90-V114 HydrophobicContact CB-CG1 4.48Å; L90-V114 HydrophobicContact CB-CG2 4.31Å; L90-V114 HydrophobicContact CD2-CG1 4.18Å; L90-V114 HydrophobicContact CG-CG1 4.4Å; L90-V114 WeakPolarHBondContact O-CA 3.34Å; L90-S115 PolarHBondContact O-N 3.25Å; L90-W132 HydrophobicContact CD2-CH2 4Å; L90-W132 HydrophobicContact CD2-CZ3 4.15Å
91	A	97.3	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.6	179	0	0	0	0	0	111.1	V60 L61 I62 Y84 L93 S115	V60-A91 PolarHBondContact O-N 2.94Å; L61-A91 CarbonylContact C-O 3.49Å; L61-A91 WeakPolarHBondContact CA-O 3.29Å; L61-A91 HydrophobicContact CD1-CB 3.71Å; I62-A91 PolarHBondContact N-O 3.03Å; Y84-A91 HydrophobicContact CD1-CB 3.75Å; Y84-A91 HydrophobicContact CE1-CB 4.41Å; Y84-A91 HydrophobicContact CG-CB 4.16Å; A91-L93 HydrophobicContact CB-CD1 4.31Å; A91-L93 HydrophobicContact CB-CG 4.4Å; A91-S115 CarbonylContact C-O 3.52Å; A91-S115 WeakPolarHBondContact CA-O 3.46Å
92	V	97.3	Very high	93.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	97.3	-177.1	-171.7	0	0	0	0	108.1	I62 L90 L98 L101 S115 I116 L117 N119	I62-V92 HydrophobicContact CB-CG1 4.49Å; I62-V92 CarbonylContact O-C 3.55Å; I62-V92 VanDerWaalsContact O-CA 3.31Å; I62-V92 WeakPolarHBondContact O-CA 3.35Å; L90-V92 HydrophobicContact CD1-CG2 4.09Å; L90-V92 HydrophobicContact CG-CG2 4.38Å; V92-L98 HydrophobicContact CG1-CD2 3.87Å; V92-L101 HydrophobicContact CB-CD2 4.45Å; V92-L101 HydrophobicContact CG1-CD2 4.12Å; V92-L101 HydrophobicContact CG2-CD2 3.45Å; V92-L101 VanDerWaalsContact CG2-CD2 3.45Å; V92-S115 PolarHBondContact N-O 3.43Å; V92-I116 HydrophobicContact CB-CB 4.46Å; V92-I116 HydrophobicContact CB-CG1 4.14Å; V92-I116 HydrophobicContact CB-CG2 4.23Å; V92-I116 HydrophobicContact CG2-CG1 4.15Å; V92-I116 WeakPolarHBondContact O-CA 3.44Å; V92-L117 PolarHBondContact O-N 3.4Å; V92-N119 PolarHBondContact O-ND2 3.02Å
93	L	96	Very high	93.4	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.105	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.6	-159.3	-56.4	177.7	0	0	0	113.4	L61 I62 A63 H64 Y84 A91 N95 L117	L61-L93 HydrophobicContact CD1-CD1 4.27Å; I62-L93 PolarHBondContact O-N 3.2Å; A63-L93 WeakPolarHBondContact CA-O 3.39Å; A63-L93 HydrophobicContact CB-CB 4.15Å; H64-L93 PolarHBondContact N-O 2.97Å; H64-L93 VanDerWaalsContact N-O 3.17Å; Y84-L93 HydrophobicContact CD1-CD1 4.37Å; Y84-L93 HydrophobicContact CE1-CD1 3.54Å; A91-L93 HydrophobicContact CB-CD1 4.31Å; A91-L93 HydrophobicContact CB-CG 4.4Å; L93-N95 PolarHBondContact N-ND2 3.24Å; L93-N95 PolarHBondContact O-N 3.4Å; L93-N95 VanDerWaalsContact O-N 3.08Å; L93-N95 PolarHBondContact O-ND2 2.83Å; L93-N95 PolarHBondContact O-OD1 3.4Å; L93-L117 CarbonylContact C-O 3.23Å; L93-L117 VanDerWaalsContact CA-O 3.31Å; L93-L117 WeakPolarHBondContact CA-O 3.48Å; L93-L117 HydrophobicContact CD2-CB 4.23Å
94	D	95.5	Very high	93.5	Very high	72 Å²	72	35.6 Å²	35.6	39%	0.385	18%	0.181	S	C	.	.			trans	57.5	27	165.3	-57.3	-41.8	0	0	0	115.7	H64 Q96 L117 G118	H64-D94 IonicContact CE1-OD2 3.78Å; H64-D94 WeakPolarHBondContact ND1-CB 3.48Å; D94-Q96 PolarHBondContact O-N 3Å; D94-Q96 PolarHBondContact O-NE2 2.94Å; D94-L117 PolarHBondContact N-O 3.01Å; D94-G118 CarbonylContact C-O 3.59Å; D94-G118 VanDerWaalsContact CA-O 3.24Å; D94-G118 WeakPolarHBondContact CA-O 3.41Å
95	N	95.6	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.			trans	-84.2	105.1	-176.2	-56.9	-69.7	0	0	0	111.6	I62 A63 H64 V65 L93 G97 L98 N119	I62-N95 PolarHBondContact O-ND2 3.14Å; A63-N95 WeakPolarHBondContact CA-OD1 3.06Å; A63-N95 PolarHBondContact N-OD1 2.96Å; H64-N95 PolarHBondContact N-OD1 3.13Å; V65-N95 HydrophobicContact CG2-CB 4.08Å; V65-N95 WeakPolarHBondContact CG2-OD1 3.04Å; V65-N95 PolarHBondContact N-OD1 2.79Å; V65-N95 CarbonylContact O-C 3.37Å; V65-N95 WeakPolarHBondContact O-CA 3.48Å; L93-N95 PolarHBondContact N-ND2 3.24Å; L93-N95 PolarHBondContact O-N 3.4Å; L93-N95 VanDerWaalsContact O-N 3.08Å; L93-N95 PolarHBondContact O-ND2 2.83Å; L93-N95 PolarHBondContact O-OD1 3.4Å; N95-G97 PolarHBondContact O-N 3.07Å; N95-L98 HydrophobicContact CB-CB 3.62Å; N95-L98 HydrophobicContact CB-CD2 4.03Å; N95-N119 VanDerWaalsContact CB-OD1 3.28Å; N95-N119 WeakPolarHBondContact CB-OD1 3.27Å; N95-N119 PolarHBondContact N-OD1 3.11Å; N95-N119 PolarHBondContact ND2-OD1 2.7Å
96	Q	92.1	Very high	94	Very high	118 Å²	118	30.2 Å²	30.2	55%	0.551	16%	0.156	S	C	*	.	S	Bend	trans	-70.7	-26.9	-170.2	-61.5	-56.1	-51	0	0	114.8	V65 D94 Q121	V65-Q96 PolarHBondContact O-N 3.38Å; D94-Q96 PolarHBondContact O-N 3Å; D94-Q96 PolarHBondContact O-NE2 2.94Å; Q96-Q121 PolarHBondContact O-NE2 3.42Å
97	G	90.6	Very high	94.5	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	13%	0.132	C	C	.	.	S	Bend	trans	-110.8	-7	-177.2	0	0	0	0	0	115.3	S66 V67 S68 N95 K99	S66-G97 WeakPolarHBondContact O-CA 3.44Å; V67-G97 CarbonylContact O-C 3.56Å; S68-G97 WeakPolarHBondContact CA-O 3.18Å; N95-G97 PolarHBondContact O-N 3.07Å; G97-K99 PolarHBondContact O-N 3.1Å
98	L	94.9	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.			trans	-71.6	117.2	-172.3	-176	63.4	0	0	0	111.7	I62 V65 V67 V70 V92 N95 L101 Q121 L122	I62-L98 HydrophobicContact CG2-CD2 4.2Å; V65-L98 HydrophobicContact CG2-CB 4.48Å; V67-L98 VanDerWaalsContact O-CA 3.24Å; V67-L98 WeakPolarHBondContact O-CA 3.5Å; V67-L98 PolarHBondContact O-N 2.97Å; V70-L98 HydrophobicContact CB-CD1 4.42Å; V70-L98 HydrophobicContact CG2-CD1 3.87Å; V92-L98 HydrophobicContact CG1-CD2 3.87Å; N95-L98 HydrophobicContact CB-CB 3.62Å; N95-L98 HydrophobicContact CB-CD2 4.03Å; L98-L101 HydrophobicContact CD2-CB 4.47Å; L98-Q121 CarbonylContact O-C 3.5Å; L98-Q121 VanDerWaalsContact O-C 3.23Å; L98-L122 HydrophobicContact CD2-CD1 4.3Å; L98-L122 HydrophobicContact CG-CD1 4.1Å; L98-L122 WeakPolarHBondContact O-CA 3.3Å; L98-L122 PolarHBondContact O-N 3.36Å
99	K	93.9	Very high	94.8	Very high	99 Å²	99	24.3 Å²	24.3	43%	0.43	12%	0.117	S	C	.	.			trans	-103.8	-38	178.1	-64.2	-175.8	178.1	-174.6	0	112.8	S68 G97 Q121 C123 F124	S68-K99 PolarHBondContact O-N 2.87Å; G97-K99 PolarHBondContact O-N 3.1Å; K99-Q121 WeakPolarHBondContact CA-O 3.43Å; K99-Q121 HydrophobicContact CG-CB 4Å; K99-C123 PolarHBondContact O-N 2.88Å; K99-F124 PolarHBondContact O-N 2.73Å; K99-F124 VanDerWaalsContact O-N 3.15Å
100	T	94.9	Very high	94.6	Very high	21 Å²	21	25.5 Å²	25.5	13%	0.129	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	113.9	-177.3	-61.5	0	0	0	0	110.7	S68 L69 V70 R102 F124	S68-T100 PolarHBondContact O-N 3.18Å; L69-T100 WeakPolarHBondContact CA-O 3.33Å; L69-T100 HydrophobicContact CD1-CG2 3.62Å; V70-T100 PolarHBondContact N-O 2.03Å; T100-R102 HydrophobicContact CG2-CB 4.09Å; T100-F124 CarbonylContact C-O 3.47Å; T100-F124 WeakPolarHBondContact CA-O 3.29Å; T100-F124 HydrophobicContact CG2-CB 4.1Å
101	L	95.6	Very high	94.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	101.9	160.6	169.1	54.2	0	0	0	107.6	I62 V70 L72 V92 L98 L103 F124 P125	I62-L101 HydrophobicContact CD1-CD1 3.4Å; I62-L101 VanDerWaalsContact CD1-CD1 3.4Å; I62-L101 HydrophobicContact CD1-CD2 3.87Å; I62-L101 HydrophobicContact CD1-CG 4.26Å; V70-L101 HydrophobicContact CB-CD1 4.08Å; V70-L101 HydrophobicContact CG1-CD1 4.06Å; L72-L101 HydrophobicContact CD1-CD1 4.26Å; V92-L101 HydrophobicContact CB-CD2 4.45Å; V92-L101 HydrophobicContact CG1-CD2 4.12Å; V92-L101 HydrophobicContact CG2-CD2 3.45Å; V92-L101 VanDerWaalsContact CG2-CD2 3.45Å; L98-L101 HydrophobicContact CD2-CB 4.47Å; L101-L103 HydrophobicContact CD1-CD1 4.18Å; L101-L103 HydrophobicContact CD1-CD2 4.43Å; L101-L103 HydrophobicContact CD1-CG 4.03Å; L101-L103 HydrophobicContact CD2-CD1 3.86Å; L101-L103 HydrophobicContact CG-CD1 3.75Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L101-L103 PolarHBondContact O-N 3.05Å; L101-F124 PolarHBondContact N-O 3.38Å; L101-P125 VanDerWaalsContact O-CD 3.3Å; L101-P125 WeakPolarHBondContact O-CD 3.04Å
102	R	93.6	Very high	93.9	Very high	59 Å²	59	29.6 Å²	29.6	22%	0.223	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.9	-173	-165.3	-173.9	-72.9	156.7	-1	110.6	L69 V70 L72 D73 T100 R104 D171	L69-R102 HydrophobicContact CD1-CB 4.31Å; V70-R102 PolarHBondContact O-N 2.97Å; L72-R102 CarbonylContact C-O 3.3Å; L72-R102 WeakPolarHBondContact CA-O 3.01Å; L72-R102 PolarHBondContact N-O 2.77Å; L72-R102 VanDerWaalsContact N-O 3.13Å; D73-R102 WeakPolarHBondContact OD1-CD 3.32Å; D73-R102 IonicContact OD1-NE 3.3Å; D73-R102 IonicContact OD1-NH1 3.43Å; D73-R102 PolarHBondContact OD1-NH1 2.93Å; D73-R102 IonicContact OD2-NH1 2.66Å; T100-R102 HydrophobicContact CG2-CB 4.09Å; R102-R104 HydrophobicContact CG-CG 4.42Å; R102-D171 WeakPolarHBondContact CD-OD1 3.3Å; R102-D171 WeakPolarHBondContact CG-OD1 3.33Å; R102-D171 IonicContact NE-OD1 3.5Å
103	L	95.5	Very high	93.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	15%	0.145	C	C	.	.			trans	-121.1	37.8	-178.7	-69	166.3	0	0	0	111.5	L72 L75 L90 L101 S105 L106 W165	L72-L103 HydrophobicContact CB-CD2 3.68Å; L72-L103 HydrophobicContact CD1-CD2 4.03Å; L75-L103 HydrophobicContact CB-CD2 4.49Å; L75-L103 HydrophobicContact CD2-CD2 3.9Å; L90-L103 HydrophobicContact CD2-CD1 4.12Å; L101-L103 HydrophobicContact CD1-CD1 4.18Å; L101-L103 HydrophobicContact CD1-CD2 4.43Å; L101-L103 HydrophobicContact CD1-CG 4.03Å; L101-L103 HydrophobicContact CD2-CD1 3.86Å; L101-L103 HydrophobicContact CG-CD1 3.75Å; L101-L103 HydrophobicContact CG-CG 3.98Å; L101-L103 PolarHBondContact O-N 3.05Å; L103-S105 PolarHBondContact O-N 2.91Å; L103-L106 HydrophobicContact CB-CB 4.01Å; L103-L106 HydrophobicContact CB-CD2 4.28Å; L103-L106 HydrophobicContact CD1-CD2 4Å; L103-L106 HydrophobicContact CD2-CD2 4.3Å; L103-L106 HydrophobicContact CG-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 3.2Å; L103-W165 HydrophobicContact CB-CD2 4.03Å; L103-W165 HydrophobicContact CB-CE3 3.65Å; L103-W165 HydrophobicContact CB-CH2 4.4Å; L103-W165 HydrophobicContact CB-CZ3 3.86Å; L103-W165 HydrophobicContact CD1-CE3 4.44Å; L103-W165 HydrophobicContact CD1-CZ3 4.03Å
104	R	92.1	Very high	93.7	Very high	50 Å²	50	28.7 Å²	28.7	19%	0.189	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.6	-172.1	59.4	167	61.3	178.6	-2.1	115.4	D73 R102 Q170 D171	D73-R104 WeakPolarHBondContact O-CG 3.25Å; D73-R104 IonicContact OD1-CZ 4Å; D73-R104 IonicContact OD1-NE 2.82Å; R102-R104 HydrophobicContact CG-CG 4.42Å; R104-Q170 PolarHBondContact NE-O 2.91Å; R104-D171 IonicContact CZ-OD1 3.68Å; R104-D171 IonicContact NE-OD1 3.47Å; R104-D171 PolarHBondContact NE-OD1 3.24Å; R104-D171 IonicContact NH2-OD1 3.39Å; R104-D171 PolarHBondContact NH2-OD1 3.2Å; R104-D171 IonicContact NH2-OD2 2.88Å; R104-D171 PolarHBondContact NH2-OD2 2.92Å; R104-D171 VanDerWaalsContact NH2-OD2 3.15Å
105	S	95.1	Very high	93.7	Very high	26 Å²	26	25.5 Å²	25.5	18%	0.182	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.9	177.5	-65.4	0	0	0	0	114.9	D73 L75 R76 L103 K107	D73-S105 VanDerWaalsContact O-CB 3.32Å; D73-S105 WeakPolarHBondContact O-CB 3.47Å; D73-S105 PolarHBondContact O-OG 3.13Å; L75-S105 CarbonylContact O-C 3.57Å; L75-S105 WeakPolarHBondContact O-CB 3.27Å; R76-S105 WeakPolarHBondContact CA-O 3.04Å; L103-S105 PolarHBondContact O-N 2.91Å; S105-K107 WeakPolarHBondContact O-CG 3.45Å; S105-K107 PolarHBondContact O-N 3.04Å
106	L	96	Very high	93.7	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	12%	0.124	C	C	.	.			trans	-75.6	110.8	-167.6	-178.6	62.3	0	0	0	111.6	L75 I78 L90 L103 I109 T135 W165	L75-L106 WeakPolarHBondContact O-CA 3.36Å; L75-L106 PolarHBondContact O-N 2.81Å; I78-L106 HydrophobicContact CD1-CD1 4.21Å; I78-L106 HydrophobicContact CD1-CD2 4.26Å; I78-L106 HydrophobicContact CG1-CD1 4.07Å; L90-L106 HydrophobicContact CD2-CD2 4.41Å; L103-L106 HydrophobicContact CB-CB 4.01Å; L103-L106 HydrophobicContact CB-CD2 4.28Å; L103-L106 HydrophobicContact CD1-CD2 4Å; L103-L106 HydrophobicContact CD2-CD2 4.3Å; L103-L106 HydrophobicContact CG-CD2 4.44Å; L103-L106 WeakPolarHBondContact O-CB 3.31Å; L103-L106 PolarHBondContact O-N 3.2Å; L106-I109 HydrophobicContact CD1-CG1 4.42Å; L106-I109 HydrophobicContact CD2-CD1 4.41Å; L106-T135 HydrophobicContact CD2-CG2 4.4Å; L106-T135 HydrophobicContact CG-CG2 3.99Å; L106-W165 HydrophobicContact CD2-CH2 4.48Å
107	K	94.1	Very high	93.9	Very high	27 Å²	27	22.9 Å²	22.9	12%	0.117	11%	0.113	C	C	.	.			trans	-123.5	-17.6	-173.5	-69.7	169.5	178.8	-170.6	0	113.9	R76 S105 T176 R186 A202	R76-K107 PolarHBondContact O-N 3.49Å; S105-K107 WeakPolarHBondContact O-CG 3.45Å; S105-K107 PolarHBondContact O-N 3.04Å; K107-T176 HydrophobicContact CD-CG2 3.95Å; K107-R186 PolarHBondContact O-NH1 2.89Å; K107-R186 VanDerWaalsContact O-NH1 3.14Å; K107-R186 PolarHBondContact O-NH2 3.31Å; K107-R186 VanDerWaalsContact O-NH2 3.16Å; K107-A202 HydrophobicContact CB-CB 4.1Å; K107-A202 VanDerWaalsContact CD-O 3.22Å; K107-A202 WeakPolarHBondContact CD-O 3.2Å
108	E	94.1	Very high	94	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.4	-179.9	-171	66.5	-84	0	0	113.1	R76 I77 I78 L110 T135 R177 R186 A201	R76-E108 PolarHBondContact O-N 2.96Å; I77-E108 VanDerWaalsContact CA-O 3.32Å; I77-E108 WeakPolarHBondContact CA-O 3.36Å; I77-E108 HydrophobicContact CB-CB 4.43Å; I77-E108 HydrophobicContact CD1-CB 4.34Å; I77-E108 HydrophobicContact CD1-CG 4.21Å; I77-E108 HydrophobicContact CG1-CB 4.06Å; I77-E108 HydrophobicContact CG1-CG 4.25Å; I78-E108 PolarHBondContact N-O 3.07Å; E108-L110 HydrophobicContact CG-CD2 3.54Å; E108-L110 HydrophobicContact CG-CG 3.91Å; E108-T135 CarbonylContact C-O 3.59Å; E108-T135 VanDerWaalsContact C-O 3.29Å; E108-T135 VanDerWaalsContact CA-O 3.27Å; E108-T135 WeakPolarHBondContact CA-O 3.39Å; E108-R177 IonicContact OE1-NH1 3.48Å; E108-R177 IonicContact OE2-NH1 2.77Å; E108-R186 IonicContact OE1-CZ 3.15Å; E108-R186 IonicContact OE1-NH2 2.77Å; E108-R186 PolarHBondContact OE1-NH2 3.43Å; E108-R186 IonicContact OE2-CZ 2.71Å; E108-R186 VanDerWaalsContact OE2-CZ 3.3Å; E108-R186 IonicContact OE2-NE 3.56Å; E108-R186 PolarHBondContact OE2-NE 3.03Å; E108-R186 IonicContact OE2-NH2 3.63Å; E108-R186 PolarHBondContact OE2-NH2 2.72Å; E108-A201 HydrophobicContact CG-CB 4.16Å
109	I	94.6	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	94	167.6	-61.8	178.3	0	0	0	105.4	I78 S89 L106 L111 G112 V114 W132 T135 M136 D137	I78-I109 HydrophobicContact CB-CG1 4.38Å; I78-I109 HydrophobicContact CD1-CD1 4.47Å; I78-I109 HydrophobicContact CD1-CG1 4.4Å; I78-I109 WeakPolarHBondContact O-CA 3.46Å; S89-I109 WeakPolarHBondContact OG-CG2 3.35Å; L106-I109 HydrophobicContact CD1-CG1 4.42Å; L106-I109 HydrophobicContact CD2-CD1 4.41Å; I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 3.33Å; I109-G112 WeakPolarHBondContact CG2-O 3.19Å; I109-V114 HydrophobicContact CD1-CG2 3.93Å; I109-W132 HydrophobicContact CD1-CZ3 4.49Å; I109-T135 HydrophobicContact CD1-CG2 4.06Å; I109-T135 HydrophobicContact CG1-CG2 4.06Å; I109-T135 PolarHBondContact N-O 3.02Å; I109-M136 HydrophobicContact CB-CG 4.2Å; I109-M136 HydrophobicContact CD1-CG 4.36Å; I109-D137 PolarHBondContact O-N 2.82Å
110	L	90.5	Very high	94.1	Very high	26 Å²	26	22.6 Å²	22.6	14%	0.136	13%	0.126	C	C	.	.			trans	-62.4	-40.2	-172.3	-67.5	176.6	0	0	0	111.8	I77 I78 R79 E108 R216	I77-L110 HydrophobicContact CD1-CD1 4.02Å; I77-L110 HydrophobicContact CD1-CG 4.16Å; I78-L110 PolarHBondContact O-N 3.13Å; R79-L110 HydrophobicContact CB-CD1 4.31Å; R79-L110 HydrophobicContact CG-CD1 4.13Å; E108-L110 HydrophobicContact CG-CD2 3.54Å; E108-L110 HydrophobicContact CG-CG 3.91Å; L110-R216 HydrophobicContact CD2-CG 4.26Å
111	L	90.4	Very high	94	Very high	86 Å²	86	25.5 Å²	25.5	45%	0.45	14%	0.138	S	C	.	.	S	Bend	trans	-144.1	150.4	-177.5	-64.5	173.4	0	0	0	110.5	F83 S89 I109	F83-L111 HydrophobicContact CE1-CB 3.88Å; F83-L111 HydrophobicContact CZ-CB 3.96Å; S89-L111 WeakPolarHBondContact CB-O 3.18Å; S89-L111 PolarHBondContact OG-O 3.2Å; I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 3.33Å
112	G	90.6	Very high	94	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.138	C	C	.	.			trans	89.7	146.4	177.2	0	0	0	0	0	113.1	F83 S89 I109 N140	F83-G112 VanDerWaalsContact CE1-CA 3.49Å; S89-G112 WeakPolarHBondContact OG-CA 3.16Å; S89-G112 PolarHBondContact OG-O 2.72Å; S89-G112 VanDerWaalsContact OG-O 3.04Å; I109-G112 WeakPolarHBondContact CG2-O 3.19Å; G112-N140 PolarHBondContact N-ND2 3.44Å; G112-N140 PolarHBondContact N-OD1 2.98Å; G112-N140 PolarHBondContact O-ND2 3.33Å
113	G	92.6	Very high	94	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-175.7	179.9	0	0	0	0	0	113.4	N87 Y88 S89 L90 K142 P143	N87-G113 PolarHBondContact O-N 2.87Å; Y88-G113 CarbonylContact C-O 3.58Å; Y88-G113 VanDerWaalsContact CA-O 3.26Å; Y88-G113 WeakPolarHBondContact CA-O 3.11Å; S89-G113 PolarHBondContact N-O 3.01Å; L90-G113 PolarHBondContact N-O 2.93Å; G113-K142 VanDerWaalsContact N-CB 3.34Å; G113-P143 WeakPolarHBondContact CA-O 3.5Å
114	V	95.1	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.3	-177.9	178.4	0	0	0	0	110	L90 I109 I116 W132 M136 P143 K144 R145 L146	L90-V114 HydrophobicContact CB-CG1 4.48Å; L90-V114 HydrophobicContact CB-CG2 4.31Å; L90-V114 HydrophobicContact CD2-CG1 4.18Å; L90-V114 HydrophobicContact CG-CG1 4.4Å; L90-V114 WeakPolarHBondContact O-CA 3.34Å; I109-V114 HydrophobicContact CD1-CG2 3.93Å; V114-I116 HydrophobicContact CG1-CD1 4.17Å; V114-I116 HydrophobicContact CG1-CG1 4.02Å; V114-W132 HydrophobicContact CG1-CE3 4.36Å; V114-W132 HydrophobicContact CG1-CH2 3.85Å; V114-W132 HydrophobicContact CG1-CZ2 4.05Å; V114-W132 HydrophobicContact CG1-CZ3 4.01Å; V114-W132 HydrophobicContact CG2-CE3 3.83Å; V114-W132 HydrophobicContact CG2-CZ3 3.83Å; V114-M136 HydrophobicContact CG2-SD 3.8Å; V114-P143 PolarHBondContact N-O 3.36Å; V114-K144 CarbonylContact O-C 3.58Å; V114-K144 WeakPolarHBondContact O-CA 3.19Å; V114-R145 PolarHBondContact O-N 2.8Å; V114-L146 HydrophobicContact CG1-CD2 4.26Å
115	S	95.8	Very high	93.8	Very high	6 Å²	6	21.1 Å²	21.1	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	109.9	175.2	-174.9	0	0	0	0	111.1	L90 A91 V92 R145	L90-S115 PolarHBondContact O-N 3.25Å; A91-S115 CarbonylContact C-O 3.52Å; A91-S115 WeakPolarHBondContact CA-O 3.46Å; V92-S115 PolarHBondContact N-O 3.43Å; S115-R145 CarbonylContact C-O 3.4Å; S115-R145 VanDerWaalsContact CA-O 3.25Å; S115-R145 WeakPolarHBondContact CA-O 3.37Å
116	I	96.3	Very high	93.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.5	175.1	-55.4	178.5	0	0	0	107.5	V92 V114 L122 P125 P127 W132 R145 L146 Q147	V92-I116 HydrophobicContact CB-CB 4.46Å; V92-I116 HydrophobicContact CB-CG1 4.14Å; V92-I116 HydrophobicContact CB-CG2 4.23Å; V92-I116 HydrophobicContact CG2-CG1 4.15Å; V92-I116 WeakPolarHBondContact O-CA 3.44Å; V114-I116 HydrophobicContact CG1-CD1 4.17Å; V114-I116 HydrophobicContact CG1-CG1 4.02Å; I116-L122 HydrophobicContact CG2-CD2 3.55Å; I116-P125 HydrophobicContact CD1-CG 4.36Å; I116-P127 HydrophobicContact CB-CB 4.33Å; I116-P127 HydrophobicContact CD1-CB 4.21Å; I116-P127 HydrophobicContact CG2-CB 4.21Å; I116-P127 HydrophobicContact CG2-CG 3.94Å; I116-W132 HydrophobicContact CD1-CH2 4.17Å; I116-W132 HydrophobicContact CD1-CZ2 3.8Å; I116-R145 PolarHBondContact N-O 2.96Å; I116-L146 HydrophobicContact CB-CD2 4.29Å; I116-L146 HydrophobicContact CD1-CD2 4.21Å; I116-L146 HydrophobicContact CG1-CD2 4.28Å; I116-L146 CarbonylContact O-C 3.23Å; I116-L146 WeakPolarHBondContact O-CA 3.48Å; I116-Q147 HydrophobicContact CG2-CG 4.23Å; I116-Q147 WeakPolarHBondContact O-CG 3.48Å; I116-Q147 PolarHBondContact O-N 3.09Å; I116-Q147 VanDerWaalsContact O-N 3.1Å
117	L	94.8	Very high	93	Very high	62 Å²	62	20.5 Å²	20.5	33%	0.325	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	149.1	-173.1	-65.7	174.5	0	0	0	111.5	V92 L93 D94 N119 R145 Q147	V92-L117 PolarHBondContact O-N 3.4Å; L93-L117 CarbonylContact C-O 3.23Å; L93-L117 VanDerWaalsContact CA-O 3.31Å; L93-L117 WeakPolarHBondContact CA-O 3.48Å; L93-L117 HydrophobicContact CD2-CB 4.23Å; D94-L117 PolarHBondContact N-O 3.01Å; L117-N119 VanDerWaalsContact C-ND2 3.32Å; L117-N119 PolarHBondContact N-ND2 3.01Å; L117-N119 PolarHBondContact O-N 3.44Å; L117-N119 PolarHBondContact O-ND2 2.78Å; L117-R145 HydrophobicContact CD1-CB 4.16Å; L117-R145 HydrophobicContact CG-CB 4.47Å; L117-Q147 VanDerWaalsContact C-OE1 3.29Å; L117-Q147 HydrophobicContact CD2-CB 4.49Å
118	G	93.9	Very high	92.6	Very high	34 Å²	34	24.7 Å²	24.7	35%	0.351	14%	0.139	S	C	.	.	S	Bend	trans	75.1	15.8	171.7	0	0	0	0	0	115.8	D94 P120	D94-G118 CarbonylContact C-O 3.59Å; D94-G118 VanDerWaalsContact CA-O 3.24Å; D94-G118 WeakPolarHBondContact CA-O 3.41Å; G118-P120 WeakPolarHBondContact O-CD 3.34Å
119	N	96	Very high	92.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.161	C	C	.	.			trans	-103.5	85.4	-177.5	-45.5	-82.4	0	0	0	110.3	V92 N95 L117 Q121 L122 Q147	V92-N119 PolarHBondContact O-ND2 3.02Å; N95-N119 VanDerWaalsContact CB-OD1 3.28Å; N95-N119 WeakPolarHBondContact CB-OD1 3.27Å; N95-N119 PolarHBondContact N-OD1 3.11Å; N95-N119 PolarHBondContact ND2-OD1 2.7Å; L117-N119 VanDerWaalsContact C-ND2 3.32Å; L117-N119 PolarHBondContact N-ND2 3.01Å; L117-N119 PolarHBondContact O-N 3.44Å; L117-N119 PolarHBondContact O-ND2 2.78Å; N119-Q121 PolarHBondContact O-N 2.7Å; N119-L122 HydrophobicContact CB-CB 3.74Å; N119-L122 HydrophobicContact CB-CD2 4.14Å; N119-L122 PolarHBondContact O-N 2.84Å; N119-Q147 PolarHBondContact ND2-OE1 3.22Å; N119-Q147 PolarHBondContact O-NE2 3.27Å
120	P	93.8	Very high	92.4	Very high	69 Å²	69	29.2 Å²	29.2	45%	0.448	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.4	-168.1	28.4	-38.1	0	0	0	115.1	G118 A150	G118-P120 WeakPolarHBondContact O-CD 3.34Å; P120-A150 WeakPolarHBondContact O-CB 3.36Å
121	Q	94.6	Very high	92.5	Very high	82 Å²	82	31 Å²	31	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	2.9	179	-56.9	-166.5	34.7	0	0	113.6	Q96 L98 K99 N119 C123	Q96-Q121 PolarHBondContact O-NE2 3.42Å; L98-Q121 CarbonylContact O-C 3.5Å; L98-Q121 VanDerWaalsContact O-C 3.23Å; K99-Q121 WeakPolarHBondContact CA-O 3.43Å; K99-Q121 HydrophobicContact CG-CB 4Å; N119-Q121 PolarHBondContact O-N 2.7Å; Q121-C123 PolarHBondContact O-N 2.92Å
122	L	95.1	Very high	92.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.149	C	C	.	.			trans	-71.3	112.1	-171	-171.9	68.3	0	0	0	111.8	L98 I116 N119 F124 P127 A150	L98-L122 HydrophobicContact CD2-CD1 4.3Å; L98-L122 HydrophobicContact CG-CD1 4.1Å; L98-L122 WeakPolarHBondContact O-CA 3.3Å; L98-L122 PolarHBondContact O-N 3.36Å; I116-L122 HydrophobicContact CG2-CD2 3.55Å; N119-L122 HydrophobicContact CB-CB 3.74Å; N119-L122 HydrophobicContact CB-CD2 4.14Å; N119-L122 PolarHBondContact O-N 2.84Å; L122-F124 WeakPolarHBondContact CD1-O 3.25Å; L122-P127 HydrophobicContact CD2-CG 4.11Å; L122-A150 WeakPolarHBondContact O-CB 3.42Å; L122-A150 PolarHBondContact O-N 2.81Å; L122-A150 VanDerWaalsContact O-N 3.09Å
123	C	93.3	Very high	92.4	Very high	18 Å²	18	31.2 Å²	31.2	12%	0.122	17%	0.173	C	C	.	.			trans	-99.3	-30.9	176.2	-67.6	0	0	0	0	113.1	K99 Q121 R149 C153	K99-C123 PolarHBondContact O-N 2.88Å; Q121-C123 PolarHBondContact O-N 2.92Å; C123-R149 VanDerWaalsContact O-CZ 3.27Å; C123-R149 PolarHBondContact O-NE 3.26Å; C123-R149 PolarHBondContact O-NH2 2.68Å; C123-C153 WeakPolarHBondContact CA-SG 3.33Å; C123-C153 HydrophobicContact CB-CB 3.52Å; C123-C153 WeakPolarHBondContact CB-SG 3.43Å; C123-C153 VanDerWaalsContact SG-CA 3.57Å; C123-C153 WeakPolarHBondContact SG-CB 3.22Å; C123-C153 CovalentContact SG-SG 2.03Å; C123-C153 PolarHBondContact SG-SG 3.23Å
124	F	92.5	Very high	92.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-142.5	128.6	-173.6	-62.6	-74.7	0	0	0	110.8	K99 T100 L101 L122 P154 C164 G166 E167	K99-F124 PolarHBondContact O-N 2.73Å; K99-F124 VanDerWaalsContact O-N 3.15Å; T100-F124 CarbonylContact C-O 3.47Å; T100-F124 WeakPolarHBondContact CA-O 3.29Å; T100-F124 HydrophobicContact CG2-CB 4.1Å; L101-F124 PolarHBondContact N-O 3.38Å; L122-F124 WeakPolarHBondContact CD1-O 3.25Å; F124-P154 HydrophobicContact CE2-CB 4.48Å; F124-P154 HydrophobicContact CE2-CG 4.47Å; F124-P154 HydrophobicContact CZ-CB 4.23Å; F124-P154 WeakPolarHBondContact CZ-O 3.39Å; F124-C164 VanDerWaalsContact CE1-SG 3.53Å; F124-G166 VanDerWaalsContact CD1-CA 3.45Å; F124-E167 HydrophobicContact CD2-CG 4.2Å; F124-E167 HydrophobicContact CE1-CG 4.34Å; F124-E167 HydrophobicContact CE2-CG 3.3Å; F124-E167 HydrophobicContact CZ-CB 4.35Å; F124-E167 HydrophobicContact CZ-CG 3.38Å
125	P	90.6	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	S	Bend	cis	-57.3	156	-10	28	-36	0	0	0	111.8	L101 I116 P127 I130 W165	L101-P125 VanDerWaalsContact O-CD 3.3Å; L101-P125 WeakPolarHBondContact O-CD 3.04Å; I116-P125 HydrophobicContact CD1-CG 4.36Å; P125-P127 VanDerWaalsContact O-CD 3.25Å; P125-P127 WeakPolarHBondContact O-CD 3.27Å; P125-I130 HydrophobicContact CB-CD1 4.3Å; P125-I130 HydrophobicContact CB-CG1 3.64Å; P125-W165 HydrophobicContact CB-CE3 3.67Å; P125-W165 HydrophobicContact CB-CZ3 3.9Å; P125-W165 HydrophobicContact CG-CE3 3.98Å; P125-W165 HydrophobicContact CG-CZ3 3.95Å
126	D	88.4	Confident	91.9	Very high	16 Å²	16	31.7 Å²	31.7	9%	0.086	18%	0.175	C	C	.	.			trans	-69.5	111	154	-176.8	-34.3	0	0	0	107.1	E128 N129 I130 R149	D126-E128 VanDerWaalsContact C-N 3.27Å; D126-E128 PolarHBondContact O-N 2.68Å; D126-E128 PolarHBondContact OD1-N 3.38Å; D126-N129 HydrophobicContact CB-CB 4.04Å; D126-N129 PolarHBondContact O-N 3.16Å; D126-N129 PolarHBondContact OD1-N 2.91Å; D126-N129 VanDerWaalsContact OD1-N 3.16Å; D126-N129 PolarHBondContact OD2-ND2 2.82Å; D126-I130 WeakPolarHBondContact O-CG1 3.47Å; D126-I130 PolarHBondContact O-N 2.95Å; D126-R149 HydrophobicContact CB-CG 4.39Å; D126-R149 WeakPolarHBondContact OD2-CD 3.44Å; D126-R149 IonicContact OD2-NE 2.67Å
127	P	85.6	Confident	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-30.5	-167.1	-21.8	35.5	0	0	0	112.8	I116 L122 P125 W132 L146 Q147	I116-P127 HydrophobicContact CB-CB 4.33Å; I116-P127 HydrophobicContact CD1-CB 4.21Å; I116-P127 HydrophobicContact CG2-CB 4.21Å; I116-P127 HydrophobicContact CG2-CG 3.94Å; L122-P127 HydrophobicContact CD2-CG 4.11Å; P125-P127 VanDerWaalsContact O-CD 3.25Å; P125-P127 WeakPolarHBondContact O-CD 3.27Å; P127-W132 PolarHBondContact O-NE1 3.34Å; P127-L146 HydrophobicContact CB-CB 4.26Å; P127-L146 HydrophobicContact CB-CD2 4.03Å; P127-L146 WeakPolarHBondContact O-CD1 3.23Å; P127-Q147 WeakPolarHBondContact CB-O 3.48Å; P127-Q147 HydrophobicContact CG-CG 4.09Å; P127-Q147 WeakPolarHBondContact CG-O 3.3Å
128	E	87	Confident	89.6	Confident	115 Å²	115	36.3 Å²	36.3	54%	0.537	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-34.3	-176.7	-66.6	176.7	152.1	0	0	111.6	D126 L146 A148	D126-E128 VanDerWaalsContact C-N 3.27Å; D126-E128 PolarHBondContact O-N 2.68Å; D126-E128 PolarHBondContact OD1-N 3.38Å; E128-L146 HydrophobicContact CG-CB 4.35Å; E128-A148 WeakPolarHBondContact OE2-CA 3.41Å
129	N	89.9	Confident	88.1	Confident	87 Å²	87	42 Å²	42	47%	0.465	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.1	179	-77.4	-54.4	0	0	0	115.1	D126 K131 H163	D126-N129 HydrophobicContact CB-CB 4.04Å; D126-N129 PolarHBondContact O-N 3.16Å; D126-N129 PolarHBondContact OD1-N 2.91Å; D126-N129 VanDerWaalsContact OD1-N 3.16Å; D126-N129 PolarHBondContact OD2-ND2 2.82Å; N129-K131 PolarHBondContact O-N 2.68Å; N129-H163 PolarHBondContact O-ND1 2.95Å
130	I	92.7	Very high	86.7	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.036	22%	0.217	C	C	.	.	S	Bend	trans	-65.7	131.9	173.3	-74.5	-66.6	0	0	0	111.2	P125 D126 W132 W165 Q173	P125-I130 HydrophobicContact CB-CD1 4.3Å; P125-I130 HydrophobicContact CB-CG1 3.64Å; D126-I130 WeakPolarHBondContact O-CG1 3.47Å; D126-I130 PolarHBondContact O-N 2.95Å; I130-W132 VanDerWaalsContact C-N 3.25Å; I130-W132 HydrophobicContact CB-CD2 4.48Å; I130-W132 HydrophobicContact CB-CZ2 4.18Å; I130-W132 HydrophobicContact CG2-CD2 3.69Å; I130-W132 HydrophobicContact CG2-CE3 4.14Å; I130-W132 HydrophobicContact CG2-CG 4.04Å; I130-W132 HydrophobicContact CG2-CH2 4.32Å; I130-W132 HydrophobicContact CG2-CZ2 3.88Å; I130-W132 HydrophobicContact CG2-CZ3 4.44Å; I130-W132 PolarHBondContact O-N 2.53Å; I130-W165 HydrophobicContact CD1-CD2 4.03Å; I130-W165 HydrophobicContact CD1-CE3 4.26Å; I130-W165 HydrophobicContact CD1-CH2 4.38Å; I130-W165 HydrophobicContact CD1-CZ2 4.16Å; I130-W165 HydrophobicContact CD1-CZ3 4.43Å; I130-W165 HydrophobicContact CG1-CH2 4.43Å; I130-W165 HydrophobicContact CG1-CZ3 4.35Å; I130-W165 HydrophobicContact CG2-CH2 3.95Å; I130-W165 HydrophobicContact CG2-CZ2 4.15Å; I130-Q173 HydrophobicContact CD1-CB 4.27Å
131	K	92.7	Very high	85.3	Confident	65 Å²	65	45.5 Å²	45.5	28%	0.283	23%	0.232	S	C	.	.			trans	-74.4	74.8	174.5	-62.2	-168.6	-166.8	172.7	0	110.8	N129 T133 D134 H163 Q173 L175	N129-K131 PolarHBondContact O-N 2.68Å; K131-T133 PolarHBondContact O-N 2.65Å; K131-D134 PolarHBondContact O-N 3.18Å; K131-H163 VanDerWaalsContact CE-CD2 3.4Å; K131-H163 WeakPolarHBondContact CE-CD2 3.05Å; K131-H163 WeakPolarHBondContact CE-CE1 3.43Å; K131-H163 WeakPolarHBondContact CE-NE2 3.04Å; K131-Q173 PolarHBondContact O-NE2 2.91Å; K131-L175 HydrophobicContact CB-CD2 4.06Å; K131-L175 HydrophobicContact CD-CD1 3.89Å; K131-L175 HydrophobicContact CD-CD2 3.98Å; K131-L175 HydrophobicContact CG-CD2 4.44Å
132	W	91.4	Very high	84.6	Confident	8 Å²	8	44.5 Å²	44.5	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-16	178.6	-65.1	104.3	0	0	0	114.3	L90 I109 V114 I116 P127 I130 D134 T135 M136 K144 L146 W165	L90-W132 HydrophobicContact CD2-CH2 4Å; L90-W132 HydrophobicContact CD2-CZ3 4.15Å; I109-W132 HydrophobicContact CD1-CZ3 4.49Å; V114-W132 HydrophobicContact CG1-CE3 4.36Å; V114-W132 HydrophobicContact CG1-CH2 3.85Å; V114-W132 HydrophobicContact CG1-CZ2 4.05Å; V114-W132 HydrophobicContact CG1-CZ3 4.01Å; V114-W132 HydrophobicContact CG2-CE3 3.83Å; V114-W132 HydrophobicContact CG2-CZ3 3.83Å; I116-W132 HydrophobicContact CD1-CH2 4.17Å; I116-W132 HydrophobicContact CD1-CZ2 3.8Å; P127-W132 PolarHBondContact O-NE1 3.34Å; I130-W132 VanDerWaalsContact C-N 3.25Å; I130-W132 HydrophobicContact CB-CD2 4.48Å; I130-W132 HydrophobicContact CB-CZ2 4.18Å; I130-W132 HydrophobicContact CG2-CD2 3.69Å; I130-W132 HydrophobicContact CG2-CE3 4.14Å; I130-W132 HydrophobicContact CG2-CG 4.04Å; I130-W132 HydrophobicContact CG2-CH2 4.32Å; I130-W132 HydrophobicContact CG2-CZ2 3.88Å; I130-W132 HydrophobicContact CG2-CZ3 4.44Å; I130-W132 PolarHBondContact O-N 2.53Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-T135 PolarHBondContact O-N 3.35Å; W132-M136 HydrophobicContact CB-CE 4.31Å; W132-M136 WeakPolarHBondContact O-CG 3.37Å; W132-M136 PolarHBondContact O-N 2.74Å; W132-K144 HydrophobicContact CB-CD 4.01Å; W132-K144 HydrophobicContact CG-CD 4.48Å; W132-L146 HydrophobicContact CZ2-CD2 4.45Å; W132-W165 AromaticContact CH2-CH2 3.8Å; W132-W165 HydrophobicContact CH2-CH2 3.8Å; W132-W165 AromaticContact CH2-CZ3 3.98Å; W132-W165 HydrophobicContact CH2-CZ3 3.98Å; W132-W165 HydrophobicContact CZ2-CH2 4.5Å; W132-W165 AromaticContact CZ3-CH2 3.99Å; W132-W165 HydrophobicContact CZ3-CH2 3.99Å
133	T	89.1	Confident	83.9	Confident	83 Å²	83	47 Å²	47	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-72.9	-16.5	172.2	44.2	0	0	0	0	114.1	K131	K131-T133 PolarHBondContact O-N 2.65Å
134	D	91.8	Very high	83.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-86	-37.7	168.8	-159.8	96.9	0	0	0	111.1	K131 W132 L175 T176 R177 T178 R186	K131-D134 PolarHBondContact O-N 3.18Å; W132-D134 VanDerWaalsContact C-N 3.3Å; D134-L175 HydrophobicContact CB-CD2 3.83Å; D134-T176 VanDerWaalsContact CG-N 3.31Å; D134-T176 PolarHBondContact OD1-N 2.95Å; D134-T176 VanDerWaalsContact OD1-N 3.09Å; D134-T176 PolarHBondContact OD2-N 2.82Å; D134-T176 PolarHBondContact OD2-OG1 3.34Å; D134-R177 PolarHBondContact OD1-N 3.09Å; D134-R177 PolarHBondContact OD2-N 3.45Å; D134-T178 HydrophobicContact CB-CG2 3.91Å; D134-T178 WeakPolarHBondContact OD1-CB 3.48Å; D134-T178 PolarHBondContact OD1-N 3.35Å; D134-T178 PolarHBondContact OD1-OG1 2.85Å; D134-R186 VanDerWaalsContact O-CZ 3.3Å; D134-R186 PolarHBondContact O-NH1 2.93Å; D134-R186 PolarHBondContact O-NH2 2.72Å; D134-R186 IonicContact OD2-NH1 3.74Å; D134-R186 PolarHBondContact OD2-NH1 2.04Å
135	T	91.8	Very high	83.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-81.8	-27.3	-172.3	-56.2	0	0	0	0	114	L106 E108 I109 W132 Q173	L106-T135 HydrophobicContact CD2-CG2 4.4Å; L106-T135 HydrophobicContact CG-CG2 3.99Å; E108-T135 CarbonylContact C-O 3.59Å; E108-T135 VanDerWaalsContact C-O 3.29Å; E108-T135 VanDerWaalsContact CA-O 3.27Å; E108-T135 WeakPolarHBondContact CA-O 3.39Å; I109-T135 HydrophobicContact CD1-CG2 4.06Å; I109-T135 HydrophobicContact CG1-CG2 4.06Å; I109-T135 PolarHBondContact N-O 3.02Å; W132-T135 PolarHBondContact O-N 3.35Å; T135-Q173 PolarHBondContact OG1-NE2 2.7Å
136	M	89.4	Confident	83.8	Confident	15 Å²	15	59.8 Å²	59.8	7%	0.074	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-103.6	149.1	177.9	-55.7	-174.6	-50.8	0	0	111.5	I109 V114 W132 K144	I109-M136 HydrophobicContact CB-CG 4.2Å; I109-M136 HydrophobicContact CD1-CG 4.36Å; V114-M136 HydrophobicContact CG2-SD 3.8Å; W132-M136 HydrophobicContact CB-CE 4.31Å; W132-M136 WeakPolarHBondContact O-CG 3.37Å; W132-M136 PolarHBondContact O-N 2.74Å; M136-K144 HydrophobicContact CE-CD 3.63Å; M136-K144 HydrophobicContact CE-CG 3.77Å; M136-K144 HydrophobicContact SD-CG 4.42Å
137	D	77.1	Confident	84	Confident	9 Å²	9	60.5 Å²	60.5	5%	0.048	30%	0.297	C	S	.	.			trans	-70	144.2	175.7	-161.3	-83.2	0	0	0	113.2	I109 Q139 N140 R177 R216	I109-D137 PolarHBondContact O-N 2.82Å; D137-Q139 PolarHBondContact O-N 2.78Å; D137-Q139 PolarHBondContact OD1-N 3.24Å; D137-N140 WeakPolarHBondContact O-CB 3.44Å; D137-N140 PolarHBondContact O-N 2.9Å; D137-R177 IonicContact OD1-NH2 2.75Å; D137-R177 IonicContact OD2-CZ 2.61Å; D137-R177 IonicContact OD2-NH1 3.25Å; D137-R177 PolarHBondContact OD2-NH1 2.92Å; D137-R177 IonicContact OD2-NH2 2.71Å; D137-R177 PolarHBondContact OD2-NH2 2.97Å; D137-R216 IonicContact OD1-NH2 2.7Å; D137-R216 IonicContact OD2-CZ 3.5Å; D137-R216 IonicContact OD2-NH1 2.62Å; D137-R216 PolarHBondContact OD2-NH1 2.85Å; D137-R216 IonicContact OD2-NH2 2.69Å; D137-R216 PolarHBondContact OD2-NH2 2.89Å
138	E	65	Low	84.2	Confident	150 Å²	150	63.4 Å²	63.4	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.8	179.5	-74.3	152.3	-111.5	0	0	113.5	N140 R177	E138-N140 PolarHBondContact O-N 2.62Å; E138-R177 IonicContact OE1-CZ 4Å; E138-R177 IonicContact OE1-NE 2.81Å; E138-R177 PolarHBondContact OE1-NE 2.85Å; E138-R177 IonicContact OE1-NH2 2.65Å; E138-R177 PolarHBondContact OE1-NH2 2.9Å
139	Q	63.3	Low	84.4	Confident	155 Å²	155	60.7 Å²	60.7	72%	0.724	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.5	175.7	-59.4	-177.7	2.9	0	0	112.7	D137 T141	D137-Q139 PolarHBondContact O-N 2.78Å; D137-Q139 PolarHBondContact OD1-N 3.24Å; Q139-T141 PolarHBondContact O-N 3.17Å
140	N	65.8	Low	84.4	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.091	29%	0.288	C	S	.	.			trans	-83.6	78.5	-172.3	-164.9	-1.6	0	0	0	111.9	G112 D137 E138 K142	G112-N140 PolarHBondContact N-ND2 3.44Å; G112-N140 PolarHBondContact N-OD1 2.98Å; G112-N140 PolarHBondContact O-ND2 3.33Å; D137-N140 WeakPolarHBondContact O-CB 3.44Å; D137-N140 PolarHBondContact O-N 2.9Å; E138-N140 PolarHBondContact O-N 2.62Å; N140-K142 PolarHBondContact O-N 3.33Å; N140-K142 WeakPolarHBondContact OD1-CB 3.3Å
141	T	65.3	Low	84.1	Confident	126 Å²	126	61.9 Å²	61.9	77%	0.773	32%	0.32	S	S	*	.			trans	-67.9	16.6	179.9	54.8	0	0	0	0	115.5	Q139	Q139-T141 PolarHBondContact O-N 3.17Å
142	K	78.3	Confident	83.9	Confident	61 Å²	61	67 Å²	67	27%	0.265	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-85.5	150.4	-176.3	-70.9	-75.3	-175.5	168.5	0	112.1	S86 N87 G113 N140	S86-K142 PolarHBondContact O-NZ 3.33Å; N87-K142 HydrophobicContact CB-CD 4.27Å; N87-K142 WeakPolarHBondContact OD1-CD 3.44Å; N87-K142 PolarHBondContact OD1-NZ 2.83Å; G113-K142 VanDerWaalsContact N-CB 3.34Å; N140-K142 PolarHBondContact O-N 3.33Å; N140-K142 WeakPolarHBondContact OD1-CB 3.3Å
143	P	81.5	Confident	83.8	Confident	53 Å²	53	67.6 Å²	67.6	34%	0.344	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-71.2	147.3	-171.9	28.3	-35.4	0	0	0	113.1	N87 Y88 G113 V114	N87-P143 HydrophobicContact CB-CG 4.46Å; Y88-P143 HydrophobicContact CE1-CG 4.02Å; G113-P143 WeakPolarHBondContact CA-O 3.5Å; V114-P143 PolarHBondContact N-O 3.36Å
144	K	88.1	Confident	83.9	Confident	98 Å²	98	66.4 Å²	66.4	43%	0.426	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.3	161.7	-65.5	177.6	-105.8	-173.8	0	108.5	V114 W132 M136 L146	V114-K144 CarbonylContact O-C 3.58Å; V114-K144 WeakPolarHBondContact O-CA 3.19Å; W132-K144 HydrophobicContact CB-CD 4.01Å; W132-K144 HydrophobicContact CG-CD 4.48Å; M136-K144 HydrophobicContact CE-CD 3.63Å; M136-K144 HydrophobicContact CE-CG 3.77Å; M136-K144 HydrophobicContact SD-CG 4.42Å; K144-L146 HydrophobicContact CB-CD1 4.43Å
145	R	92.1	Very high	83.8	Confident	141 Å²	141	71.1 Å²	71.1	53%	0.532	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116.6	167.6	-67.2	-169	179.2	-177.9	-0.5	108.1	Y88 V114 S115 I116 L117	Y88-R145 VanDerWaalsContact OH-CD 3.31Å; Y88-R145 WeakPolarHBondContact OH-CD 3.45Å; Y88-R145 PolarHBondContact OH-NE 2.93Å; V114-R145 PolarHBondContact O-N 2.8Å; S115-R145 CarbonylContact C-O 3.4Å; S115-R145 VanDerWaalsContact CA-O 3.25Å; S115-R145 WeakPolarHBondContact CA-O 3.37Å; I116-R145 PolarHBondContact N-O 2.96Å; L117-R145 HydrophobicContact CD1-CB 4.16Å; L117-R145 HydrophobicContact CG-CB 4.47Å
146	L	93.8	Very high	83.7	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.257	39%	0.39	S	S	.	.			trans	-130.7	153.2	-170.2	-59.9	166.1	0	0	0	108.3	V114 I116 P127 E128 W132 K144	V114-L146 HydrophobicContact CG1-CD2 4.26Å; I116-L146 HydrophobicContact CB-CD2 4.29Å; I116-L146 HydrophobicContact CD1-CD2 4.21Å; I116-L146 HydrophobicContact CG1-CD2 4.28Å; I116-L146 CarbonylContact O-C 3.23Å; I116-L146 WeakPolarHBondContact O-CA 3.48Å; P127-L146 HydrophobicContact CB-CB 4.26Å; P127-L146 HydrophobicContact CB-CD2 4.03Å; P127-L146 WeakPolarHBondContact O-CD1 3.23Å; E128-L146 HydrophobicContact CG-CB 4.35Å; W132-L146 HydrophobicContact CZ2-CD2 4.45Å; K144-L146 HydrophobicContact CB-CD1 4.43Å
147	Q	92.4	Very high	83.9	Confident	31 Å²	31	74.9 Å²	74.9	15%	0.145	40%	0.402	C	S	.	.			trans	-109.7	154.3	172.3	60.2	169.3	92.2	0	0	109.4	I116 L117 N119 P127	I116-Q147 HydrophobicContact CG2-CG 4.23Å; I116-Q147 WeakPolarHBondContact O-CG 3.48Å; I116-Q147 PolarHBondContact O-N 3.09Å; I116-Q147 VanDerWaalsContact O-N 3.1Å; L117-Q147 VanDerWaalsContact C-OE1 3.29Å; L117-Q147 HydrophobicContact CD2-CB 4.49Å; N119-Q147 PolarHBondContact ND2-OE1 3.22Å; N119-Q147 PolarHBondContact O-NE2 3.27Å; P127-Q147 WeakPolarHBondContact CB-O 3.48Å; P127-Q147 HydrophobicContact CG-CG 4.09Å; P127-Q147 WeakPolarHBondContact CG-O 3.3Å
148	A	89.8	Confident	84.6	Confident	60 Å²	60	79.9 Å²	79.9	50%	0.496	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-57.2	151.3	163.7	0	0	0	0	0	111.5	E128	E128-A148 WeakPolarHBondContact OE2-CA 3.41Å
149	R	90.8	Very high	85.9	Confident	58 Å²	58	76.7 Å²	76.7	22%	0.219	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-61.8	147.5	174.8	-160.7	-172.1	-161.3	-147.8	-5.5	111.5	C123 D126 C153 P154	C123-R149 VanDerWaalsContact O-CZ 3.27Å; C123-R149 PolarHBondContact O-NE 3.26Å; C123-R149 PolarHBondContact O-NH2 2.68Å; D126-R149 HydrophobicContact CB-CG 4.39Å; D126-R149 WeakPolarHBondContact OD2-CD 3.44Å; D126-R149 IonicContact OD2-NE 2.67Å; R149-C153 VanDerWaalsContact CZ-CB 3.5Å; R149-P154 VanDerWaalsContact CZ-O 3.22Å; R149-P154 PolarHBondContact NH1-O 3.42Å; R149-P154 PolarHBondContact NH2-O 2.87Å
150	A	91.2	Very high	87.1	Confident	12 Å²	12	69.7 Å²	69.7	10%	0.099	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-63.6	149.9	174.1	0	0	0	0	0	112.5	P120 L122 C153	P120-A150 WeakPolarHBondContact O-CB 3.36Å; L122-A150 WeakPolarHBondContact O-CB 3.42Å; L122-A150 PolarHBondContact O-N 2.81Å; L122-A150 VanDerWaalsContact O-N 3.09Å; A150-C153 PolarHBondContact O-SG 3.44Å
151	P	85.7	Confident	88.1	Confident	108 Å²	108	76.4 Å²	76.4	70%	0.701	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	153.5	178.3	29.4	-35.3	0	0	0	112.2	C153	P151-C153 VanDerWaalsContact C-N 3.25Å; P151-C153 PolarHBondContact O-N 3.27Å
152	N	87.3	Confident	88.9	Confident	171 Å²	171	71.9 Å²	71.9	91%	0.914	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	21.2	179.5	-53	-41	0	0	0	115.7
153	C	90.7	Very high	89.5	Confident	21 Å²	21	70.8 Å²	70.8	14%	0.142	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-75	142.5	174.6	-68.8	0	0	0	0	113	C123 R149 A150 P151	C123-C153 WeakPolarHBondContact CA-SG 3.33Å; C123-C153 HydrophobicContact CB-CB 3.52Å; C123-C153 WeakPolarHBondContact CB-SG 3.43Å; C123-C153 VanDerWaalsContact SG-CA 3.57Å; C123-C153 WeakPolarHBondContact SG-CB 3.22Å; C123-C153 CovalentContact SG-SG 2.03Å; C123-C153 PolarHBondContact SG-SG 3.23Å; R149-C153 VanDerWaalsContact CZ-CB 3.5Å; A150-C153 PolarHBondContact O-SG 3.44Å; P151-C153 VanDerWaalsContact C-N 3.25Å; P151-C153 PolarHBondContact O-N 3.27Å
154	P	91.1	Very high	90	Very high	58 Å²	58	68.3 Å²	68.3	38%	0.377	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-58.4	150	174.8	-22.7	33.2	0	0	0	112.6	F124 R149 E167	F124-P154 HydrophobicContact CE2-CB 4.48Å; F124-P154 HydrophobicContact CE2-CG 4.47Å; F124-P154 HydrophobicContact CZ-CB 4.23Å; F124-P154 WeakPolarHBondContact CZ-O 3.39Å; R149-P154 VanDerWaalsContact CZ-O 3.22Å; R149-P154 PolarHBondContact NH1-O 3.42Å; R149-P154 PolarHBondContact NH2-O 2.87Å; P154-E167 HydrophobicContact CB-CG 4.18Å; P154-E167 HydrophobicContact CG-CG 4.41Å
155	S	89.5	Confident	90.2	Very high	100 Å²	100	63.7 Å²	63.7	70%	0.699	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-66.7	154.7	172.7	-57.1	0	0	0	0	111.7
156	C	90.4	Very high	90.2	Very high	23 Å²	23	57.1 Å²	57.1	16%	0.155	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-58.4	155	162.5	-65.9	0	0	0	0	110.7	C160 G162 C164	C156-C160 HydrophobicContact CB-CB 4.18Å; C156-G162 PolarHBondContact SG-O 2.97Å; C156-C164 WeakPolarHBondContact CA-SG 3.5Å; C156-C164 HydrophobicContact CB-CB 3.74Å; C156-C164 WeakPolarHBondContact CB-SG 3.1Å; C156-C164 WeakPolarHBondContact SG-CB 3.43Å; C156-C164 CovalentContact SG-SG 2.03Å; C156-C164 PolarHBondContact SG-SG 2.99Å
157	H	93.4	Very high	90	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.329	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-57.4	140.3	168.7	-167.7	-105.6	0	0	0	110.4	T159 C160 E169	H157-T159 PolarHBondContact ND1-OG1 3.2Å; H157-T159 PolarHBondContact O-N 3.01Å; H157-T159 VanDerWaalsContact O-N 3.07Å; H157-C160 WeakPolarHBondContact O-CB 3.44Å; H157-C160 PolarHBondContact O-N 3.14Å; H157-C160 PolarHBondContact O-SG 2.77Å; H157-E169 IonicContact CE1-OE1 3.02Å; H157-E169 IonicContact ND1-OE1 3.39Å
158	P	91	Very high	89.9	Confident	115 Å²	115	61.6 Å²	61.6	75%	0.747	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.9	-172.8	-29	36.8	0	0	0	115.1	C160	P158-C160 PolarHBondContact O-N 3.19Å
159	T	92.3	Very high	90	Very high	83 Å²	83	64.3 Å²	64.3	51%	0.509	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-72.1	-9.6	177	53.9	0	0	0	0	114.2	H157 E169	H157-T159 PolarHBondContact ND1-OG1 3.2Å; H157-T159 PolarHBondContact O-N 3.01Å; H157-T159 VanDerWaalsContact O-N 3.07Å; T159-E169 WeakPolarHBondContact CG2-OE1 3.22Å; T159-E169 PolarHBondContact OG1-OE1 3.28Å
160	C	88.5	Confident	90	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.054	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-85.4	-5.4	178.2	-51.8	0	0	0	0	114.4	C156 H157 P158 G162 H163 C164 C172	C156-C160 HydrophobicContact CB-CB 4.18Å; H157-C160 WeakPolarHBondContact O-CB 3.44Å; H157-C160 PolarHBondContact O-N 3.14Å; H157-C160 PolarHBondContact O-SG 2.77Å; P158-C160 PolarHBondContact O-N 3.19Å; C160-G162 PolarHBondContact O-N 3.14Å; C160-H163 PolarHBondContact O-N 2.8Å; C160-C164 HydrophobicContact CB-CB 4.12Å; C160-C172 WeakPolarHBondContact CA-SG 3.45Å; C160-C172 HydrophobicContact CB-CB 3.66Å; C160-C172 WeakPolarHBondContact CB-SG 3.23Å; C160-C172 WeakPolarHBondContact SG-CA 3.35Å; C160-C172 WeakPolarHBondContact SG-CB 3.2Å; C160-C172 CovalentContact SG-SG 2.04Å; C160-C172 PolarHBondContact SG-SG 2.04Å
161	E	86.4	Confident	90.1	Very high	158 Å²	158	68 Å²	68	74%	0.738	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	22.7	-173.9	-57.8	-175.7	161.9	0	0	114.4
162	G	82.3	Confident	90.4	Very high	31 Å²	31	63.9 Å²	63.9	32%	0.32	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-6.2	-175.4	0	0	0	0	0	115.4	C156 C160	C156-G162 PolarHBondContact SG-O 2.97Å; C160-G162 PolarHBondContact O-N 3.14Å
163	H	90.6	Very high	90.7	Very high	37 Å²	37	56.5 Å²	56.5	17%	0.171	32%	0.317	C	S	.	.			trans	-100.4	92.5	-176.8	-49.6	-64.2	0	0	0	110.7	N129 K131 C160 Q173	N129-H163 PolarHBondContact O-ND1 2.95Å; K131-H163 VanDerWaalsContact CE-CD2 3.4Å; K131-H163 WeakPolarHBondContact CE-CD2 3.05Å; K131-H163 WeakPolarHBondContact CE-CE1 3.43Å; K131-H163 WeakPolarHBondContact CE-NE2 3.04Å; C160-H163 PolarHBondContact O-N 2.8Å; H163-Q173 HydrophobicContact CB-CB 4.01Å; H163-Q173 PolarHBondContact O-N 3.02Å
164	C	92.3	Very high	90.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.007	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-143.4	149.1	-175.6	74.2	0	0	0	0	115.9	F124 C156 C160 G166 D171	F124-C164 VanDerWaalsContact CE1-SG 3.53Å; C156-C164 WeakPolarHBondContact CA-SG 3.5Å; C156-C164 HydrophobicContact CB-CB 3.74Å; C156-C164 WeakPolarHBondContact CB-SG 3.1Å; C156-C164 WeakPolarHBondContact SG-CB 3.43Å; C156-C164 CovalentContact SG-SG 2.03Å; C156-C164 PolarHBondContact SG-SG 2.99Å; C160-C164 HydrophobicContact CB-CB 4.12Å; C164-G166 WeakPolarHBondContact CB-O 3.26Å; C164-G166 PolarHBondContact SG-O 3.34Å; C164-D171 WeakPolarHBondContact CA-O 3.24Å
165	W	92.5	Very high	90.8	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.008	33%	0.326	C	S	.	.	S	Bend	trans	-94.5	8.8	174.7	-55.8	103.2	0	0	0	113.2	L103 L106 P125 I130 W132 D171	L103-W165 HydrophobicContact CB-CD2 4.03Å; L103-W165 HydrophobicContact CB-CE3 3.65Å; L103-W165 HydrophobicContact CB-CH2 4.4Å; L103-W165 HydrophobicContact CB-CZ3 3.86Å; L103-W165 HydrophobicContact CD1-CE3 4.44Å; L103-W165 HydrophobicContact CD1-CZ3 4.03Å; L106-W165 HydrophobicContact CD2-CH2 4.48Å; P125-W165 HydrophobicContact CB-CE3 3.67Å; P125-W165 HydrophobicContact CB-CZ3 3.9Å; P125-W165 HydrophobicContact CG-CE3 3.98Å; P125-W165 HydrophobicContact CG-CZ3 3.95Å; I130-W165 HydrophobicContact CD1-CD2 4.03Å; I130-W165 HydrophobicContact CD1-CE3 4.26Å; I130-W165 HydrophobicContact CD1-CH2 4.38Å; I130-W165 HydrophobicContact CD1-CZ2 4.16Å; I130-W165 HydrophobicContact CD1-CZ3 4.43Å; I130-W165 HydrophobicContact CG1-CH2 4.43Å; I130-W165 HydrophobicContact CG1-CZ3 4.35Å; I130-W165 HydrophobicContact CG2-CH2 3.95Å; I130-W165 HydrophobicContact CG2-CZ2 4.15Å; W132-W165 AromaticContact CH2-CH2 3.8Å; W132-W165 HydrophobicContact CH2-CH2 3.8Å; W132-W165 AromaticContact CH2-CZ3 3.98Å; W132-W165 HydrophobicContact CH2-CZ3 3.98Å; W132-W165 HydrophobicContact CZ2-CH2 4.5Å; W132-W165 AromaticContact CZ3-CH2 3.99Å; W132-W165 HydrophobicContact CZ3-CH2 3.99Å; W165-D171 HydrophobicContact CB-CB 4.45Å; W165-D171 PolarHBondContact N-O 2.77Å
166	G	91.4	Very high	91	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.031	29%	0.294	C	S	.	.	S	Bend	trans	169.2	177.6	-170.2	0	0	0	0	0	112.4	F124 C164 D171	F124-G166 VanDerWaalsContact CD1-CA 3.45Å; C164-G166 WeakPolarHBondContact CB-O 3.26Å; C164-G166 PolarHBondContact SG-O 3.34Å; G166-D171 VanDerWaalsContact CA-CB 3.49Å
167	E	90.1	Very high	91	Very high	111 Å²	111	54.9 Å²	54.9	52%	0.519	29%	0.291	S	S	.	.	S	Bend	trans	-76	-21.4	-172.2	-65	173.7	-145.9	0	0	114.4	F124 P154	F124-E167 HydrophobicContact CD2-CG 4.2Å; F124-E167 HydrophobicContact CE1-CG 4.34Å; F124-E167 HydrophobicContact CE2-CG 3.3Å; F124-E167 HydrophobicContact CZ-CB 4.35Å; F124-E167 HydrophobicContact CZ-CG 3.38Å; P154-E167 HydrophobicContact CB-CG 4.18Å; P154-E167 HydrophobicContact CG-CG 4.41Å
168	T	91.4	Very high	90.9	Very high	63 Å²	63	54.9 Å²	54.9	39%	0.387	30%	0.296	S	S	.	.	S	Bend	trans	-95	159.8	-169.8	76.3	0	0	0	0	112.8	Q170 D171	T168-Q170 PolarHBondContact O-N 3.03Å; T168-Q170 VanDerWaalsContact O-N 3.15Å; T168-Q170 PolarHBondContact OG1-N 2.74Å; T168-D171 WeakPolarHBondContact CB-OD2 3.49Å; T168-D171 PolarHBondContact N-OD2 2.62Å; T168-D171 WeakPolarHBondContact O-CB 3.3Å; T168-D171 PolarHBondContact O-N 2.71Å; T168-D171 PolarHBondContact OG1-OD2 2.8Å
169	E	91.3	Very high	90.8	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.1	-29.6	169.9	179.8	161	-115.1	0	0	113.2	H157 T159 D171 C172	H157-E169 IonicContact CE1-OE1 3.02Å; H157-E169 IonicContact ND1-OE1 3.39Å; T159-E169 WeakPolarHBondContact CG2-OE1 3.22Å; T159-E169 PolarHBondContact OG1-OE1 3.28Å; E169-D171 PolarHBondContact O-N 3.15Å; E169-C172 PolarHBondContact O-N 2.84Å; E169-C172 PolarHBondContact O-SG 2.77Å
170	Q	90.9	Very high	90.8	Very high	144 Å²	144	50.9 Å²	50.9	67%	0.673	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-75	-7.9	176.1	-57.7	-179.2	-2.1	0	0	113.7	R104 T168	R104-Q170 PolarHBondContact NE-O 2.91Å; T168-Q170 PolarHBondContact O-N 3.03Å; T168-Q170 VanDerWaalsContact O-N 3.15Å; T168-Q170 PolarHBondContact OG1-N 2.74Å
171	D	92.2	Very high	90.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-101.9	1.3	177.5	-60.1	-65.1	0	0	0	112.9	R102 R104 C164 W165 G166 T168 E169	R102-D171 WeakPolarHBondContact CD-OD1 3.3Å; R102-D171 WeakPolarHBondContact CG-OD1 3.33Å; R102-D171 IonicContact NE-OD1 3.5Å; R104-D171 IonicContact CZ-OD1 3.68Å; R104-D171 IonicContact NE-OD1 3.47Å; R104-D171 PolarHBondContact NE-OD1 3.24Å; R104-D171 IonicContact NH2-OD1 3.39Å; R104-D171 PolarHBondContact NH2-OD1 3.2Å; R104-D171 IonicContact NH2-OD2 2.88Å; R104-D171 PolarHBondContact NH2-OD2 2.92Å; R104-D171 VanDerWaalsContact NH2-OD2 3.15Å; C164-D171 WeakPolarHBondContact CA-O 3.24Å; W165-D171 HydrophobicContact CB-CB 4.45Å; W165-D171 PolarHBondContact N-O 2.77Å; G166-D171 VanDerWaalsContact CA-CB 3.49Å; T168-D171 WeakPolarHBondContact CB-OD2 3.49Å; T168-D171 PolarHBondContact N-OD2 2.62Å; T168-D171 WeakPolarHBondContact O-CB 3.3Å; T168-D171 PolarHBondContact O-N 2.71Å; T168-D171 PolarHBondContact OG1-OD2 2.8Å; E169-D171 PolarHBondContact O-N 3.15Å
172	C	93.4	Very high	90.9	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.155	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-59.2	143.5	174.3	-57.6	0	0	0	0	111.7	C160 E169 I174	C160-C172 WeakPolarHBondContact CA-SG 3.45Å; C160-C172 HydrophobicContact CB-CB 3.66Å; C160-C172 WeakPolarHBondContact CB-SG 3.23Å; C160-C172 WeakPolarHBondContact SG-CA 3.35Å; C160-C172 WeakPolarHBondContact SG-CB 3.2Å; C160-C172 CovalentContact SG-SG 2.04Å; C160-C172 PolarHBondContact SG-SG 2.04Å; E169-C172 PolarHBondContact O-N 2.84Å; E169-C172 PolarHBondContact O-SG 2.77Å; C172-I174 PolarHBondContact O-N 2.88Å; C172-I174 VanDerWaalsContact O-N 3.15Å
173	Q	93.6	Very high	90.8	Very high	15 Å²	15	52.4 Å²	52.4	7%	0.07	31%	0.306	C	S	.	.			trans	-72.3	107.5	178	-171.3	-171.3	0.4	0	0	110.5	I130 K131 T135 H163 L175	I130-Q173 HydrophobicContact CD1-CB 4.27Å; K131-Q173 PolarHBondContact O-NE2 2.91Å; T135-Q173 PolarHBondContact OG1-NE2 2.7Å; H163-Q173 HydrophobicContact CB-CB 4.01Å; H163-Q173 PolarHBondContact O-N 3.02Å; Q173-L175 HydrophobicContact CG-CD2 4.14Å; Q173-L175 PolarHBondContact O-N 2.99Å
174	I	91.7	Very high	90.7	Very high	97 Å²	97	52.5 Å²	52.5	50%	0.497	31%	0.31	S	S	.	.			trans	-75.6	105.1	176.3	-56.8	172.6	0	0	0	109.6	C172 T176	C172-I174 PolarHBondContact O-N 2.88Å; C172-I174 VanDerWaalsContact O-N 3.15Å; I174-T176 HydrophobicContact CG2-CG2 4.2Å
175	L	92.6	Very high	90.5	Very high	40 Å²	40	56.7 Å²	56.7	21%	0.209	33%	0.33	C	S	.	.			trans	-73.6	134.1	177.3	-53.8	178.6	0	0	0	111.1	K131 D134 Q173 N179	K131-L175 HydrophobicContact CB-CD2 4.06Å; K131-L175 HydrophobicContact CD-CD1 3.89Å; K131-L175 HydrophobicContact CD-CD2 3.98Å; K131-L175 HydrophobicContact CG-CD2 4.44Å; D134-L175 HydrophobicContact CB-CD2 3.83Å; Q173-L175 HydrophobicContact CG-CD2 4.14Å; Q173-L175 PolarHBondContact O-N 2.99Å; L175-N179 HydrophobicContact CB-CB 4.22Å
176	T	93.7	Very high	90.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.031	33%	0.33	C	S	.	.	S	Bend	trans	-139.1	7	-173.8	57	0	0	0	0	114.2	K107 D134 I174 C180 R186 C187	K107-T176 HydrophobicContact CD-CG2 3.95Å; D134-T176 VanDerWaalsContact CG-N 3.31Å; D134-T176 PolarHBondContact OD1-N 2.95Å; D134-T176 VanDerWaalsContact OD1-N 3.09Å; D134-T176 PolarHBondContact OD2-N 2.82Å; D134-T176 PolarHBondContact OD2-OG1 3.34Å; I174-T176 HydrophobicContact CG2-CG2 4.2Å; T176-C180 PolarHBondContact O-SG 2.83Å; T176-R186 CarbonylContact O-C 3.36Å; T176-R186 WeakPolarHBondContact O-CA 3.36Å; T176-R186 VanDerWaalsContact O-CD 3.3Å; T176-R186 WeakPolarHBondContact O-CD 3.27Å; T176-R186 PolarHBondContact OG1-NH1 2.61Å; T176-C187 PolarHBondContact O-N 3.45Å
177	R	90.6	Very high	90.7	Very high	27 Å²	27	56.7 Å²	56.7	10%	0.102	33%	0.329	C	S	.	.	S	Bend	trans	-134.5	-48.6	178.4	-176.3	-179.4	-155.7	121.4	2.8	112	E108 D134 D137 E138 N179 C180	E108-R177 IonicContact OE1-NH1 3.48Å; E108-R177 IonicContact OE2-NH1 2.77Å; D134-R177 PolarHBondContact OD1-N 3.09Å; D134-R177 PolarHBondContact OD2-N 3.45Å; D137-R177 IonicContact OD1-NH2 2.75Å; D137-R177 IonicContact OD2-CZ 2.61Å; D137-R177 IonicContact OD2-NH1 3.25Å; D137-R177 PolarHBondContact OD2-NH1 2.92Å; D137-R177 IonicContact OD2-NH2 2.71Å; D137-R177 PolarHBondContact OD2-NH2 2.97Å; E138-R177 IonicContact OE1-CZ 4Å; E138-R177 IonicContact OE1-NE 2.81Å; E138-R177 PolarHBondContact OE1-NE 2.85Å; E138-R177 IonicContact OE1-NH2 2.65Å; E138-R177 PolarHBondContact OE1-NH2 2.9Å; R177-N179 VanDerWaalsContact C-N 3.31Å; R177-N179 PolarHBondContact O-N 3.46Å; R177-C180 WeakPolarHBondContact CA-SG 3.48Å; R177-C180 WeakPolarHBondContact O-CB 3.38Å; R177-C180 PolarHBondContact O-SG 3.23Å; R177-C180 VanDerWaalsContact O-SG 3.38Å
178	T	89.6	Confident	90.9	Very high	71 Å²	71	56.7 Å²	56.7	44%	0.436	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.5	-177.8	56.3	0	0	0	0	113.9	D134	D134-T178 HydrophobicContact CB-CG2 3.91Å; D134-T178 WeakPolarHBondContact OD1-CB 3.48Å; D134-T178 PolarHBondContact OD1-N 3.35Å; D134-T178 PolarHBondContact OD1-OG1 2.85Å
179	N	89.1	Confident	90.9	Very high	84 Å²	84	54.2 Å²	54.2	45%	0.449	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	38.6	179.2	-167.9	30.2	0	0	0	111.8	L175 R177 C187 P190	L175-N179 HydrophobicContact CB-CB 4.22Å; R177-N179 VanDerWaalsContact C-N 3.31Å; R177-N179 PolarHBondContact O-N 3.46Å; N179-C187 PolarHBondContact O-SG 2.77Å; N179-P190 WeakPolarHBondContact O-CA 3.03Å
180	C	91.9	Very high	90.9	Very high	29 Å²	29	52.2 Å²	52.2	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	-115.2	158	-175.6	-57.9	0	0	0	0	112.5	T176 R177 C184 C187	T176-C180 PolarHBondContact O-SG 2.83Å; R177-C180 WeakPolarHBondContact CA-SG 3.48Å; R177-C180 WeakPolarHBondContact O-CB 3.38Å; R177-C180 PolarHBondContact O-SG 3.23Å; R177-C180 VanDerWaalsContact O-SG 3.38Å; C180-C184 HydrophobicContact CB-CB 4.45Å; C180-C187 WeakPolarHBondContact CA-SG 3.44Å; C180-C187 HydrophobicContact CB-CB 3.74Å; C180-C187 WeakPolarHBondContact CB-SG 3.01Å; C180-C187 WeakPolarHBondContact SG-CB 3.37Å; C180-C187 PolarHBondContact SG-N 3.39Å; C180-C187 VanDerWaalsContact SG-N 3.39Å; C180-C187 CovalentContact SG-SG 2.03Å; C180-C187 PolarHBondContact SG-SG 2.75Å
181	A	90.4	Very high	91	Very high	19 Å²	19	50.1 Å²	50.1	16%	0.157	30%	0.304	C	S	.	.			trans	-63.8	148.3	169.5	0	0	0	0	0	111.8	G183 C184 P192	A181-G183 PolarHBondContact O-N 3.41Å; A181-C184 WeakPolarHBondContact O-CB 3.21Å; A181-C184 PolarHBondContact O-N 3.21Å; A181-C184 VanDerWaalsContact O-N 3.16Å; A181-P192 HydrophobicContact CB-CB 4.32Å; A181-P192 HydrophobicContact CB-CG 3.94Å
182	S	86.5	Confident	90.8	Very high	124 Å²	124	55 Å²	55	87%	0.867	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	125.4	-177.9	55.5	0	0	0	0	112.5
183	G	81.8	Confident	90.7	Very high	87 Å²	87	58.1 Å²	58.1	90%	0.897	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-7.7	-179.4	0	0	0	0	0	114.9	A181	A181-G183 PolarHBondContact O-N 3.41Å
184	C	88.4	Confident	90.7	Very high	39 Å²	39	58.9 Å²	58.9	26%	0.264	36%	0.363	S	S	.	.			trans	-92.8	121.5	177.5	-57.6	0	0	0	0	111.5	C180 A181 R186 C195	C180-C184 HydrophobicContact CB-CB 4.45Å; A181-C184 WeakPolarHBondContact O-CB 3.21Å; A181-C184 PolarHBondContact O-N 3.21Å; A181-C184 VanDerWaalsContact O-N 3.16Å; C184-R186 PolarHBondContact O-N 3.36Å; C184-C195 HydrophobicContact CB-CB 3.64Å; C184-C195 WeakPolarHBondContact CB-SG 3.25Å; C184-C195 WeakPolarHBondContact SG-CB 3.23Å; C184-C195 CovalentContact SG-SG 2.02Å; C184-C195 PolarHBondContact SG-SG 2.81Å
185	Q	87.8	Confident	90.9	Very high	89 Å²	89	55.3 Å²	55.3	42%	0.416	35%	0.346	S	S	.	.	S	Bend	trans	-65.8	-37.6	179.8	-67.2	-175.1	-1.5	0	0	113.2
186	R	93.5	Very high	91	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.015	34%	0.341	C	S	.	.	S	Bend	trans	-144	153.1	176.8	-70.7	-69.5	-177.6	-172.3	-15	109.7	K107 E108 D134 T176 C184 C196 A201	K107-R186 PolarHBondContact O-NH1 2.89Å; K107-R186 VanDerWaalsContact O-NH1 3.14Å; K107-R186 PolarHBondContact O-NH2 3.31Å; K107-R186 VanDerWaalsContact O-NH2 3.16Å; E108-R186 IonicContact OE1-CZ 3.15Å; E108-R186 IonicContact OE1-NH2 2.77Å; E108-R186 PolarHBondContact OE1-NH2 3.43Å; E108-R186 IonicContact OE2-CZ 2.71Å; E108-R186 VanDerWaalsContact OE2-CZ 3.3Å; E108-R186 IonicContact OE2-NE 3.56Å; E108-R186 PolarHBondContact OE2-NE 3.03Å; E108-R186 IonicContact OE2-NH2 3.63Å; E108-R186 PolarHBondContact OE2-NH2 2.72Å; D134-R186 VanDerWaalsContact O-CZ 3.3Å; D134-R186 PolarHBondContact O-NH1 2.93Å; D134-R186 PolarHBondContact O-NH2 2.72Å; D134-R186 IonicContact OD2-NH1 3.74Å; D134-R186 PolarHBondContact OD2-NH1 2.04Å; T176-R186 CarbonylContact O-C 3.36Å; T176-R186 WeakPolarHBondContact O-CA 3.36Å; T176-R186 VanDerWaalsContact O-CD 3.3Å; T176-R186 WeakPolarHBondContact O-CD 3.27Å; T176-R186 PolarHBondContact OG1-NH1 2.61Å; C184-R186 PolarHBondContact O-N 3.36Å; R186-C196 HydrophobicContact CB-CB 4.15Å; R186-C196 WeakPolarHBondContact O-CB 3.09Å; R186-C196 PolarHBondContact O-N 3.29Å; R186-A201 WeakPolarHBondContact CD-O 3.42Å; R186-A201 WeakPolarHBondContact CG-O 3.42Å; R186-A201 PolarHBondContact NE-O 2.6Å
187	C	94.1	Very high	91.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-146.8	168.7	177.5	65.4	0	0	0	0	112.2	T176 N179 C180 G189 D194 C196	T176-C187 PolarHBondContact O-N 3.45Å; N179-C187 PolarHBondContact O-SG 2.77Å; C180-C187 WeakPolarHBondContact CA-SG 3.44Å; C180-C187 HydrophobicContact CB-CB 3.74Å; C180-C187 WeakPolarHBondContact CB-SG 3.01Å; C180-C187 WeakPolarHBondContact SG-CB 3.37Å; C180-C187 PolarHBondContact SG-N 3.39Å; C180-C187 VanDerWaalsContact SG-N 3.39Å; C180-C187 CovalentContact SG-SG 2.03Å; C180-C187 PolarHBondContact SG-SG 2.75Å; C187-G189 VanDerWaalsContact CB-O 3.32Å; C187-G189 WeakPolarHBondContact CB-O 3.29Å; C187-G189 PolarHBondContact SG-O 3.33Å; C187-D194 CarbonylContact C-O 3.54Å; C187-D194 VanDerWaalsContact CA-O 3.23Å; C187-D194 WeakPolarHBondContact CA-O 3.44Å; C187-D194 WeakPolarHBondContact CB-O 3.41Å; C187-C196 VanDerWaalsContact CA-SG 3.52Å
188	K	94.3	Very high	91.2	Very high	110 Å²	110	59.8 Å²	59.8	48%	0.478	37%	0.373	S	S	.	.	S	Bend	trans	-99.3	-2.9	166.2	69.5	178.6	179.2	178.2	0	113.8	D194 T205	K188-D194 WeakPolarHBondContact CE-OD1 3.49Å; K188-D194 HydrophobicContact CG-CB 3.67Å; K188-D194 PolarHBondContact N-O 3.34Å; K188-T205 PolarHBondContact NZ-O 2.86Å
189	G	91.7	Very high	91.4	Very high	11 Å²	11	57.3 Å²	57.3	11%	0.113	36%	0.357	C	S	.	.	S	Bend	trans	177.6	173.4	-171	0	0	0	0	0	111.8	C187 L191 D194	C187-G189 VanDerWaalsContact CB-O 3.32Å; C187-G189 WeakPolarHBondContact CB-O 3.29Å; C187-G189 PolarHBondContact SG-O 3.33Å; G189-L191 PolarHBondContact O-N 3.41Å; G189-D194 WeakPolarHBondContact O-CB 3.5Å
190	P	91.6	Very high	91.7	Very high	76 Å²	76	53.3 Å²	53.3	49%	0.494	34%	0.336	S	S	.	.	S	Bend	trans	-80.8	-8.9	-169	32.5	-36.9	0	0	0	114.9	N179	N179-P190 WeakPolarHBondContact O-CA 3.03Å
191	L	91.8	Very high	91.6	Very high	100 Å²	100	52 Å²	52	52%	0.524	33%	0.327	S	S	.	.	S	Bend	trans	-81	150.2	-178	-56.5	175.8	0	0	0	111.1	G189 S193 D194	G189-L191 PolarHBondContact O-N 3.41Å; L191-S193 WeakPolarHBondContact CB-OG 3.35Å; L191-S193 PolarHBondContact O-N 2.81Å; L191-S193 VanDerWaalsContact O-N 3.1Å; L191-D194 WeakPolarHBondContact CB-OD2 3.39Å; L191-D194 PolarHBondContact N-OD2 3.32Å; L191-D194 WeakPolarHBondContact O-CB 3.3Å; L191-D194 PolarHBondContact O-N 3.19Å
192	P	89.7	Confident	91.7	Very high	105 Å²	105	51 Å²	51	68%	0.682	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-57.5	-24.5	171.8	-25.8	34.9	0	0	0	114	A181 D194 C195	A181-P192 HydrophobicContact CB-CB 4.32Å; A181-P192 HydrophobicContact CB-CG 3.94Å; P192-D194 VanDerWaalsContact C-N 3.28Å; P192-D194 PolarHBondContact O-N 3.2Å; P192-C195 PolarHBondContact O-SG 2.88Å
193	S	91.1	Very high	92	Very high	88 Å²	88	45.1 Å²	45.1	62%	0.615	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-74.9	-12.1	173.3	53.9	0	0	0	0	114.5	L191	L191-S193 WeakPolarHBondContact CB-OG 3.35Å; L191-S193 PolarHBondContact O-N 2.81Å; L191-S193 VanDerWaalsContact O-N 3.1Å
194	D	93.9	Very high	92.6	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-96.8	1.7	179.9	-64.8	-33.6	0	0	0	112.7	C187 K188 G189 L191 P192	C187-D194 CarbonylContact C-O 3.54Å; C187-D194 VanDerWaalsContact CA-O 3.23Å; C187-D194 WeakPolarHBondContact CA-O 3.44Å; C187-D194 WeakPolarHBondContact CB-O 3.41Å; K188-D194 WeakPolarHBondContact CE-OD1 3.49Å; K188-D194 HydrophobicContact CG-CB 3.67Å; K188-D194 PolarHBondContact N-O 3.34Å; G189-D194 WeakPolarHBondContact O-CB 3.5Å; L191-D194 WeakPolarHBondContact CB-OD2 3.39Å; L191-D194 PolarHBondContact N-OD2 3.32Å; L191-D194 WeakPolarHBondContact O-CB 3.3Å; L191-D194 PolarHBondContact O-N 3.19Å; P192-D194 VanDerWaalsContact C-N 3.28Å; P192-D194 PolarHBondContact O-N 3.2Å
195	C	94.6	Very high	92.9	Very high	21 Å²	21	44 Å²	44	14%	0.142	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-69.3	136.5	178.2	-62.5	0	0	0	0	111.9	C184 P192	C184-C195 HydrophobicContact CB-CB 3.64Å; C184-C195 WeakPolarHBondContact CB-SG 3.25Å; C184-C195 WeakPolarHBondContact SG-CB 3.23Å; C184-C195 CovalentContact SG-SG 2.02Å; C184-C195 PolarHBondContact SG-SG 2.81Å; P192-C195 PolarHBondContact O-SG 2.88Å
196	C	95.6	Very high	93.2	Very high	17 Å²	17	40 Å²	40	12%	0.115	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-83.6	160.6	-179.9	-59.3	0	0	0	0	111.8	R186 C187 C200 C204	R186-C196 HydrophobicContact CB-CB 4.15Å; R186-C196 WeakPolarHBondContact O-CB 3.09Å; R186-C196 PolarHBondContact O-N 3.29Å; C187-C196 VanDerWaalsContact CA-SG 3.52Å; C196-C200 HydrophobicContact CB-CB 3.93Å; C196-C204 WeakPolarHBondContact CA-SG 3.23Å; C196-C204 HydrophobicContact CB-CB 3.66Å; C196-C204 WeakPolarHBondContact CB-SG 3.4Å; C196-C204 WeakPolarHBondContact SG-CB 3.37Å; C196-C204 PolarHBondContact SG-N 2.67Å; C196-C204 CovalentContact SG-SG 2.03Å; C196-C204 PolarHBondContact SG-SG 2.64Å
197	H	95.3	Very high	93.1	Very high	69 Å²	69	43.8 Å²	43.8	32%	0.319	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-58.7	146.7	168.5	-167	-113.6	0	0	0	111.2	Q199 C200	H197-Q199 PolarHBondContact ND1-N 3.13Å; H197-Q199 PolarHBondContact O-N 3.08Å; H197-Q199 VanDerWaalsContact O-N 3.1Å; H197-C200 VanDerWaalsContact O-CB 3.25Å; H197-C200 WeakPolarHBondContact O-CB 3.35Å; H197-C200 PolarHBondContact O-N 3.09Å; H197-C200 PolarHBondContact O-SG 3.19Å
198	T	92.4	Very high	93.1	Very high	80 Å²	80	52 Å²	52	49%	0.491	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.7	-176.8	53.7	0	0	0	0	114
199	Q	94.3	Very high	93.1	Very high	19 Å²	19	48.7 Å²	48.7	9%	0.089	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.7	174	-56.7	-65.9	-27.7	0	0	113.1	H197 C215 R216 H217 C224 E226	H197-Q199 PolarHBondContact ND1-N 3.13Å; H197-Q199 PolarHBondContact O-N 3.08Å; H197-Q199 VanDerWaalsContact O-N 3.1Å; Q199-C215 WeakPolarHBondContact O-CA 3.22Å; Q199-R216 PolarHBondContact O-N 3.1Å; Q199-H217 PolarHBondContact OE1-ND1 2.97Å; Q199-C224 HydrophobicContact CB-CB 3.83Å; Q199-C224 VanDerWaalsContact CB-O 3.25Å; Q199-C224 WeakPolarHBondContact CB-O 3.29Å; Q199-E226 PolarHBondContact NE2-OE2 2.75Å
200	C	94.4	Very high	93.2	Very high	1 Å²	1	51 Å²	51	1%	0.007	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-82.6	138.6	172.1	-57	0	0	0	0	111.3	C196 H197 C212	C196-C200 HydrophobicContact CB-CB 3.93Å; H197-C200 VanDerWaalsContact O-CB 3.25Å; H197-C200 WeakPolarHBondContact O-CB 3.35Å; H197-C200 PolarHBondContact O-N 3.09Å; H197-C200 PolarHBondContact O-SG 3.19Å; C200-C212 WeakPolarHBondContact CA-SG 3.49Å; C200-C212 HydrophobicContact CB-CB 3.67Å; C200-C212 WeakPolarHBondContact CB-SG 3.27Å; C200-C212 WeakPolarHBondContact SG-CA 3.03Å; C200-C212 WeakPolarHBondContact SG-CB 3.22Å; C200-C212 CovalentContact SG-SG 2.03Å; C200-C212 PolarHBondContact SG-SG 2.86Å
201	A	91	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-105.8	-62.1	179.8	0	0	0	0	0	112.3	I77 E108 R186 G203 A214 R216	I77-A201 HydrophobicContact CD1-CB 3.67Å; E108-A201 HydrophobicContact CG-CB 4.16Å; R186-A201 WeakPolarHBondContact CD-O 3.42Å; R186-A201 WeakPolarHBondContact CG-O 3.42Å; R186-A201 PolarHBondContact NE-O 2.6Å; A201-G203 PolarHBondContact O-N 3.36Å; A201-G203 VanDerWaalsContact O-N 3.13Å; A201-A214 HydrophobicContact CB-CB 4.41Å; A201-A214 PolarHBondContact N-O 2.82Å; A201-R216 HydrophobicContact CB-CB 4.31Å
202	A	91.7	Very high	93.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-86	27.3	-175.3	0	0	0	0	0	114.2	R76 K107 L213 A214	R76-A202 HydrophobicContact CB-CB 4.06Å; K107-A202 HydrophobicContact CB-CB 4.1Å; K107-A202 VanDerWaalsContact CD-O 3.22Å; K107-A202 WeakPolarHBondContact CD-O 3.2Å; A202-L213 HydrophobicContact CB-CB 4.25Å; A202-L213 WeakPolarHBondContact O-CD1 3.14Å; A202-A214 HydrophobicContact CB-CB 3.85Å
203	G	93.3	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.			trans	80.6	-164.7	-166.5	0	0	0	0	0	113.7	A201 L213	A201-G203 PolarHBondContact O-N 3.36Å; A201-G203 VanDerWaalsContact O-N 3.13Å; G203-L213 WeakPolarHBondContact O-CB 3.24Å; G203-L213 PolarHBondContact O-N 3.24Å
204	C	94.9	Very high	93.8	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.054	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-154	167	-169.5	60.3	0	0	0	0	113.1	C196 G206 D211	C196-C204 WeakPolarHBondContact CA-SG 3.23Å; C196-C204 HydrophobicContact CB-CB 3.66Å; C196-C204 WeakPolarHBondContact CB-SG 3.4Å; C196-C204 WeakPolarHBondContact SG-CB 3.37Å; C196-C204 PolarHBondContact SG-N 2.67Å; C196-C204 CovalentContact SG-SG 2.03Å; C196-C204 PolarHBondContact SG-SG 2.64Å; C204-G206 VanDerWaalsContact CB-O 3.23Å; C204-G206 WeakPolarHBondContact CB-O 3.47Å; C204-G206 PolarHBondContact SG-O 2.92Å; C204-D211 CarbonylContact C-O 3.5Å; C204-D211 WeakPolarHBondContact CA-O 3.42Å; C204-D211 WeakPolarHBondContact CB-O 3.29Å
205	T	95.1	Very high	93.7	Very high	93 Å²	93	38.3 Å²	38.3	57%	0.571	21%	0.213	S	C	*	.	S	Bend	trans	-90.8	-21.5	165.5	48.1	0	0	0	0	113	K188 D211 L213	K188-T205 PolarHBondContact NZ-O 2.86Å; T205-D211 PolarHBondContact N-O 2.64Å; T205-D211 PolarHBondContact OG1-O 2.94Å; T205-L213 HydrophobicContact CG2-CD2 4.2Å
206	G	92.4	Very high	93.6	Very high	7 Å²	7	39.1 Å²	39.1	7%	0.072	21%	0.213	C	C	.	.	S	Bend	trans	-163.5	-179.7	-173.3	0	0	0	0	0	111.7	C204 R208 D211	C204-G206 VanDerWaalsContact CB-O 3.23Å; C204-G206 WeakPolarHBondContact CB-O 3.47Å; C204-G206 PolarHBondContact SG-O 2.92Å; G206-R208 PolarHBondContact O-N 2.8Å; G206-D211 VanDerWaalsContact C-CB 3.48Å; G206-D211 WeakPolarHBondContact CA-OD2 3.5Å; G206-D211 VanDerWaalsContact O-CB 3.26Å; G206-D211 WeakPolarHBondContact O-CB 3.42Å
207	P	92.9	Very high	93.4	Very high	83 Å²	83	42 Å²	42	54%	0.539	23%	0.225	S	C	.	.	S	Bend	trans	-82.9	-3.4	-168.3	33.7	-36.7	0	0	0	114.9
208	R	93.9	Very high	93.2	Very high	174 Å²	174	40.9 Å²	40.9	66%	0.657	22%	0.219	S	C	*	.	S	Bend	trans	-88.4	160.5	-174.7	-59.8	179.8	170.5	179.8	-3.5	113.1	G206 S210 D211	G206-R208 PolarHBondContact O-N 2.8Å; R208-S210 PolarHBondContact O-N 2.8Å; R208-S210 VanDerWaalsContact O-N 3.16Å; R208-D211 HydrophobicContact CB-CB 4.45Å; R208-D211 VanDerWaalsContact CB-OD2 3.27Å; R208-D211 WeakPolarHBondContact CB-OD2 3.4Å; R208-D211 PolarHBondContact N-OD2 3.03Å; R208-D211 PolarHBondContact O-N 3.27Å
209	D	93.2	Very high	93.2	Very high	40 Å²	40	40.1 Å²	40.1	21%	0.214	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.1	169.6	70.2	-27.3	0	0	0	113.8	C212 M223 C224	D209-C212 PolarHBondContact O-SG 3.25Å; D209-M223 WeakPolarHBondContact OD2-CB 3.3Å; D209-C224 WeakPolarHBondContact O-CB 3.36Å; D209-C224 PolarHBondContact O-N 2.94Å
210	S	94.8	Very high	93.2	Very high	60 Å²	60	39.6 Å²	39.6	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.3	-178.9	23.5	0	0	0	0	113.3	R208 G222	R208-S210 PolarHBondContact O-N 2.8Å; R208-S210 VanDerWaalsContact O-N 3.16Å; S210-G222 WeakPolarHBondContact CA-O 3.41Å
211	D	95.6	Very high	93	Very high	44 Å²	44	44.1 Å²	44.1	24%	0.235	24%	0.241	C	C	.	.	S	Bend	trans	-96.3	3	177.5	-68.4	-45.5	0	0	0	113	C204 T205 G206 R208	C204-D211 CarbonylContact C-O 3.5Å; C204-D211 WeakPolarHBondContact CA-O 3.42Å; C204-D211 WeakPolarHBondContact CB-O 3.29Å; T205-D211 PolarHBondContact N-O 2.64Å; T205-D211 PolarHBondContact OG1-O 2.94Å; G206-D211 VanDerWaalsContact C-CB 3.48Å; G206-D211 WeakPolarHBondContact CA-OD2 3.5Å; G206-D211 VanDerWaalsContact O-CB 3.26Å; G206-D211 WeakPolarHBondContact O-CB 3.42Å; R208-D211 HydrophobicContact CB-CB 4.45Å; R208-D211 VanDerWaalsContact CB-OD2 3.27Å; R208-D211 WeakPolarHBondContact CB-OD2 3.4Å; R208-D211 PolarHBondContact N-OD2 3.03Å; R208-D211 PolarHBondContact O-N 3.27Å
212	C	95	Very high	92.9	Very high	24 Å²	24	46.1 Å²	46.1	16%	0.162	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-72.4	138.8	-173.8	-59.7	0	0	0	0	113.2	C200 D209 A214 C224	C200-C212 WeakPolarHBondContact CA-SG 3.49Å; C200-C212 HydrophobicContact CB-CB 3.67Å; C200-C212 WeakPolarHBondContact CB-SG 3.27Å; C200-C212 WeakPolarHBondContact SG-CA 3.03Å; C200-C212 WeakPolarHBondContact SG-CB 3.22Å; C200-C212 CovalentContact SG-SG 2.03Å; C200-C212 PolarHBondContact SG-SG 2.86Å; D209-C212 PolarHBondContact O-SG 3.25Å; C212-A214 VanDerWaalsContact C-N 3.32Å; C212-A214 PolarHBondContact O-N 2.88Å; C212-C224 HydrophobicContact CB-CB 4.42Å; C212-C224 WeakPolarHBondContact CB-SG 3.12Å; C212-C224 VanDerWaalsContact SG-SG 3.67Å
213	L	92.9	Very high	93	Very high	46 Å²	46	49.5 Å²	49.5	24%	0.241	28%	0.279	C	S	.	.	S	Bend	trans	-74	-23.7	175.3	-67	177.9	0	0	0	113.3	R76 A202 G203 T205	R76-L213 VanDerWaalsContact CD-O 3.29Å; R76-L213 WeakPolarHBondContact CD-O 3.02Å; R76-L213 PolarHBondContact NH1-O 3.45Å; A202-L213 HydrophobicContact CB-CB 4.25Å; A202-L213 WeakPolarHBondContact O-CD1 3.14Å; G203-L213 WeakPolarHBondContact O-CB 3.24Å; G203-L213 PolarHBondContact O-N 3.24Å; T205-L213 HydrophobicContact CG2-CD2 4.2Å
214	A	92.4	Very high	93	Very high	13 Å²	13	49.7 Å²	49.7	11%	0.107	28%	0.28	C	S	.	.	S	Bend	trans	-159.3	151.3	167.4	0	0	0	0	0	109	I77 A201 A202 C212	I77-A214 HydrophobicContact CB-CB 4.42Å; I77-A214 HydrophobicContact CD1-CB 4.42Å; I77-A214 HydrophobicContact CG2-CB 4Å; A201-A214 HydrophobicContact CB-CB 4.41Å; A201-A214 PolarHBondContact N-O 2.82Å; A202-A214 HydrophobicContact CB-CB 3.85Å; C212-A214 VanDerWaalsContact C-N 3.32Å; C212-A214 PolarHBondContact O-N 2.88Å
215	C	93.3	Very high	92.9	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.041	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-87.7	139	179.9	-56	0	0	0	0	112.5	R79 Q199 N219 C224	R79-C215 PolarHBondContact NH1-O 2.84Å; R79-C215 PolarHBondContact NH2-O 2.93Å; Q199-C215 WeakPolarHBondContact O-CA 3.22Å; C215-N219 HydrophobicContact CB-CB 4.49Å; C215-C224 WeakPolarHBondContact CA-SG 3.49Å; C215-C224 HydrophobicContact CB-CB 3.58Å; C215-C224 WeakPolarHBondContact CB-SG 3.23Å; C215-C224 WeakPolarHBondContact SG-CA 3.41Å; C215-C224 WeakPolarHBondContact SG-CB 3.22Å; C215-C224 CovalentContact SG-SG 2.03Å; C215-C224 PolarHBondContact SG-SG 3.48Å
216	R	91.4	Very high	92.7	Very high	37 Å²	37	53.6 Å²	53.6	14%	0.14	29%	0.29	C	S	.	.	S	Bend	trans	-66.2	-48.6	175.9	-166.7	171.2	-178.3	101.2	3.1	111.2	R79 L110 D137 Q199 A201	R79-R216 PolarHBondContact NH1-O 2.03Å; R79-R216 VanDerWaalsContact NH1-O 3.08Å; L110-R216 HydrophobicContact CD2-CG 4.26Å; D137-R216 IonicContact OD1-NH2 2.7Å; D137-R216 IonicContact OD2-CZ 3.5Å; D137-R216 IonicContact OD2-NH1 2.62Å; D137-R216 PolarHBondContact OD2-NH1 2.85Å; D137-R216 IonicContact OD2-NH2 2.69Å; D137-R216 PolarHBondContact OD2-NH2 2.89Å; Q199-R216 PolarHBondContact O-N 3.1Å; A201-R216 HydrophobicContact CB-CB 4.31Å
217	H	90.8	Very high	92.5	Very high	79 Å²	79	58.6 Å²	58.6	37%	0.366	32%	0.315	S	S	.	.	S	Bend	trans	-104.3	-90.8	176.8	-53.9	108.9	0	0	0	111.7	Q199 K225 A253	Q199-H217 PolarHBondContact OE1-ND1 2.97Å; H217-K225 WeakPolarHBondContact CB-O 3.43Å; H217-A253 WeakPolarHBondContact O-CB 3.42Å
218	F	92.6	Very high	92.4	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.197	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.5	-176.3	-55.8	-85.3	0	0	0	113.6	C224 K225 E226 G252 A253	F218-C224 CarbonylContact O-C 3.57Å; F218-C224 WeakPolarHBondContact O-CA 3.5Å; F218-K225 PolarHBondContact N-O 3.47Å; F218-K225 PolarHBondContact O-N 2.97Å; F218-E226 VanDerWaalsContact CD2-O 3.24Å; F218-E226 WeakPolarHBondContact CD2-O 3.39Å; F218-E226 VanDerWaalsContact CE2-O 3.29Å; F218-E226 WeakPolarHBondContact CE2-O 3.28Å; F218-G252 VanDerWaalsContact CE1-O 3.32Å; F218-G252 WeakPolarHBondContact CE1-O 3.47Å; F218-A253 CarbonylContact C-O 3.58Å; F218-A253 WeakPolarHBondContact CA-O 3.37Å
219	N	92.5	Very high	92.3	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.2	166.7	-175.1	-18.9	0	0	0	110.2	C215 S221 G222 A253 T254 C255	C215-N219 HydrophobicContact CB-CB 4.49Å; N219-S221 PolarHBondContact OD1-N 3.09Å; N219-G222 WeakPolarHBondContact OD1-CA 3.32Å; N219-G222 PolarHBondContact OD1-N 3.02Å; N219-A253 PolarHBondContact N-O 2.75Å; N219-T254 HydrophobicContact CB-CG2 4.47Å; N219-C255 PolarHBondContact O-N 3Å
220	D	93.2	Very high	92.1	Very high	7 Å²	7	50 Å²	50	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	81.7	173.2	-174	27.7	0	0	0	110.7	G222 M223 K225 K248 C255	D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 3.03Å; D220-M223 PolarHBondContact N-O 3.38Å; D220-M223 PolarHBondContact O-N 3.46Å; D220-K225 HydrophobicContact CB-CD 3.76Å; D220-K225 HydrophobicContact CB-CG 4.2Å; D220-K225 WeakPolarHBondContact OD2-CE 3.38Å; D220-K225 IonicContact OD2-NZ 3.09Å; D220-K225 PolarHBondContact OD2-NZ 2.94Å; D220-K248 VanDerWaalsContact OD1-CD 3.23Å; D220-K248 WeakPolarHBondContact OD1-CD 3.07Å; D220-K248 WeakPolarHBondContact OD1-CE 3.38Å; D220-K248 IonicContact OD1-NZ 3.23Å; D220-K248 PolarHBondContact OD1-NZ 2.89Å; D220-C255 HydrophobicContact CB-CB 4.26Å
221	S	89.9	Confident	91.6	Very high	96 Å²	96	48.7 Å²	48.7	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	35.6	175.7	-56.2	0	0	0	0	114.6	N219 K248	N219-S221 PolarHBondContact OD1-N 3.09Å; S221-K248 PolarHBondContact OG-NZ 2.85Å
222	G	88.8	Confident	91.1	Very high	42 Å²	42	50.5 Å²	50.5	43%	0.433	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.7	-15.8	-179.9	0	0	0	0	0	114.4	S210 N219 D220	S210-G222 WeakPolarHBondContact CA-O 3.41Å; N219-G222 WeakPolarHBondContact OD1-CA 3.32Å; N219-G222 PolarHBondContact OD1-N 3.02Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 3.03Å
223	M	93.8	Very high	90.6	Very high	71 Å²	71	53.5 Å²	53.5	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	175.4	-71.6	164.8	-75.8	0	0	110.7	D209 D220 K225	D209-M223 WeakPolarHBondContact OD2-CB 3.3Å; D220-M223 PolarHBondContact N-O 3.38Å; D220-M223 PolarHBondContact O-N 3.46Å; M223-K225 PolarHBondContact O-N 2.82Å
224	C	95.1	Very high	90	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.027	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.1	177.2	-63.5	0	0	0	0	111.9	Q199 D209 C212 C215 F218	Q199-C224 HydrophobicContact CB-CB 3.83Å; Q199-C224 VanDerWaalsContact CB-O 3.25Å; Q199-C224 WeakPolarHBondContact CB-O 3.29Å; D209-C224 WeakPolarHBondContact O-CB 3.36Å; D209-C224 PolarHBondContact O-N 2.94Å; C212-C224 HydrophobicContact CB-CB 4.42Å; C212-C224 WeakPolarHBondContact CB-SG 3.12Å; C212-C224 VanDerWaalsContact SG-SG 3.67Å; C215-C224 WeakPolarHBondContact CA-SG 3.49Å; C215-C224 HydrophobicContact CB-CB 3.58Å; C215-C224 WeakPolarHBondContact CB-SG 3.23Å; C215-C224 WeakPolarHBondContact SG-CA 3.41Å; C215-C224 WeakPolarHBondContact SG-CB 3.22Å; C215-C224 CovalentContact SG-SG 2.03Å; C215-C224 PolarHBondContact SG-SG 3.48Å; F218-C224 CarbonylContact O-C 3.57Å; F218-C224 WeakPolarHBondContact O-CA 3.5Å
225	K	92.4	Very high	89.4	Confident	67 Å²	67	59 Å²	59	29%	0.291	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.3	-174.9	-61.6	-174.7	-174.3	172.6	0	111.6	H217 F218 D220 M223	H217-K225 WeakPolarHBondContact CB-O 3.43Å; F218-K225 PolarHBondContact N-O 3.47Å; F218-K225 PolarHBondContact O-N 2.97Å; D220-K225 HydrophobicContact CB-CD 3.76Å; D220-K225 HydrophobicContact CB-CG 4.2Å; D220-K225 WeakPolarHBondContact OD2-CE 3.38Å; D220-K225 IonicContact OD2-NZ 3.09Å; D220-K225 PolarHBondContact OD2-NZ 2.94Å; M223-K225 PolarHBondContact O-N 2.82Å
226	E	89.4	Confident	88.6	Confident	116 Å²	116	62.8 Å²	62.8	54%	0.542	34%	0.339	S	S	.	.	S	Bend	trans	-71.9	-33	179.2	-163.6	172.1	149.3	0	0	113	Q199 F218	Q199-E226 PolarHBondContact NE2-OE2 2.75Å; F218-E226 VanDerWaalsContact CD2-O 3.24Å; F218-E226 WeakPolarHBondContact CD2-O 3.39Å; F218-E226 VanDerWaalsContact CE2-O 3.29Å; F218-E226 WeakPolarHBondContact CE2-O 3.28Å
227	N	89.1	Confident	88.1	Confident	113 Å²	113	67 Å²	67	60%	0.604	37%	0.368	S	S	*	.	S	Bend	trans	-141	151.1	179.2	-74.9	-74.7	0	0	0	110.5
228	C	91.4	Very high	87.8	Confident	19 Å²	19	65.9 Å²	65.9	13%	0.128	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-74.4	150	172.2	-65	0	0	0	0	111.8	P230 C255	C228-P230 VanDerWaalsContact O-N 3.17Å; C228-C255 WeakPolarHBondContact CA-SG 3.48Å; C228-C255 HydrophobicContact CB-CB 3.82Å; C228-C255 WeakPolarHBondContact CB-SG 3.45Å; C228-C255 WeakPolarHBondContact SG-CA 3.31Å; C228-C255 WeakPolarHBondContact SG-CB 3.4Å; C228-C255 CovalentContact SG-SG 2.04Å; C228-C255 PolarHBondContact SG-SG 2.8Å
229	P	91.5	Very high	86.9	Confident	24 Å²	24	72 Å²	72	16%	0.156	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-48.8	116.6	176.6	-32.2	35.4	0	0	0	113.9	N246 K247 K248	P229-N246 VanDerWaalsContact CB-O 3.25Å; P229-N246 WeakPolarHBondContact CB-O 3.06Å; P229-K247 WeakPolarHBondContact O-CA 3.28Å; P229-K248 HydrophobicContact CG-CB 4.5Å; P229-K248 HydrophobicContact CG-CD 4.41Å; P229-K248 HydrophobicContact CG-CG 4.46Å; P229-K248 PolarHBondContact O-N 3Å
230	P	87.8	Confident	85.9	Confident	73 Å²	73	74.8 Å²	74.8	47%	0.474	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-68.7	159.6	-170	27.1	-35.8	0	0	0	112.9	C228 N232 N244 K247	C228-P230 VanDerWaalsContact O-N 3.17Å; P230-N232 VanDerWaalsContact C-N 3.29Å; P230-N232 PolarHBondContact O-N 2.87Å; P230-N244 WeakPolarHBondContact O-CB 3.48Å; P230-N244 PolarHBondContact O-ND2 2.73Å; P230-K247 WeakPolarHBondContact O-CB 3.41Å
231	P	84.2	Confident	85.3	Confident	32 Å²	32	78.4 Å²	78.4	21%	0.208	43%	0.427	C	S	.	.	S	Bend	trans	-66.1	-28.6	-176.1	25.3	-34.6	0	0	0	114	N244 K247 V268	P231-N244 PolarHBondContact O-N 2.98Å; P231-K247 HydrophobicContact CB-CD 4.22Å; P231-V268 HydrophobicContact CG-CG1 4.05Å
232	N	85.7	Confident	85	Confident	82 Å²	82	76.8 Å²	76.8	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.1	174.3	-55.7	-50.4	0	0	0	109.1	P230 S241 K242 P243	P230-N232 VanDerWaalsContact C-N 3.29Å; P230-N232 PolarHBondContact O-N 2.87Å; N232-S241 WeakPolarHBondContact CB-OG 3.22Å; N232-K242 CarbonylContact C-O 3.6Å; N232-K242 VanDerWaalsContact CA-O 3.23Å; N232-K242 WeakPolarHBondContact CA-O 3.25Å; N232-K242 WeakPolarHBondContact CB-O 3.3Å; N232-P243 WeakPolarHBondContact OD1-CA 3.18Å
233	F	85.3	Confident	84.9	Confident	87 Å²	87	79.7 Å²	79.7	38%	0.382	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.2	169.1	70.5	-80.7	0	0	0	110	D235 S241 K242 N244	F233-D235 HydrophobicContact CE2-CB 4.16Å; F233-S241 WeakPolarHBondContact O-CA 3.06Å; F233-K242 HydrophobicContact CD1-CB 4.37Å; F233-K242 WeakPolarHBondContact CD1-O 3.23Å; F233-K242 HydrophobicContact CE1-CB 3.82Å; F233-K242 HydrophobicContact CE2-CB 4.43Å; F233-K242 HydrophobicContact CZ-CB 3.86Å; F233-K242 HydrophobicContact CZ-CD 4.46Å; F233-K242 PolarHBondContact N-O 3.17Å; F233-K242 PolarHBondContact O-N 3.03Å; F233-N244 HydrophobicContact CD1-CB 4Å
234	Y	79.1	Confident	84.6	Confident	144 Å²	144	77.5 Å²	77.5	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	122.5	173.8	-169.1	-109.1	0	0	0	110	Y239	Y234-Y239 WeakPolarHBondContact CE2-O 3.39Å; Y234-Y239 VanDerWaalsContact OH-CA 3.29Å; Y234-Y239 WeakPolarHBondContact OH-CA 3.25Å; Y234-Y239 WeakPolarHBondContact OH-CB 3.5Å; Y234-Y239 WeakPolarHBondContact OH-CD1 3.28Å; Y234-Y239 PolarHBondContact OH-O 3.06Å
235	D	81.3	Confident	84.2	Confident	32 Å²	32	82.7 Å²	82.7	17%	0.171	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	104.3	174.2	-179.9	-60.6	0	0	0	108.8	F233 V237 T238 Y239 Q240 K242	F233-D235 HydrophobicContact CE2-CB 4.16Å; D235-V237 PolarHBondContact O-N 3.01Å; D235-V237 PolarHBondContact OD1-N 3.41Å; D235-V237 VanDerWaalsContact OD1-N 3.16Å; D235-T238 WeakPolarHBondContact CB-OG1 3.26Å; D235-T238 PolarHBondContact O-N 3.26Å; D235-T238 WeakPolarHBondContact OD1-CB 3.37Å; D235-T238 PolarHBondContact OD1-N 3.22Å; D235-T238 PolarHBondContact OD1-OG1 2.81Å; D235-Y239 WeakPolarHBondContact O-CA 3.22Å; D235-Y239 PolarHBondContact O-N 2.95Å; D235-Q240 PolarHBondContact N-O 3.11Å; D235-Q240 PolarHBondContact O-N 2.92Å; D235-K242 HydrophobicContact CB-CD 3.79Å; D235-K242 HydrophobicContact CB-CG 4.16Å; D235-K242 IonicContact OD1-NZ 2.74Å; D235-K242 WeakPolarHBondContact OD2-CE 3.45Å; D235-K242 IonicContact OD2-NZ 3.44Å; D235-K242 PolarHBondContact OD2-NZ 3.34Å
236	S	76.6	Confident	83.9	Confident	85 Å²	85	84.9 Å²	84.9	59%	0.594	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.6	-175.1	53.2	0	0	0	0	114.9
237	V	79.1	Confident	83.9	Confident	124 Å²	124	85.1 Å²	85.1	75%	0.752	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-34.1	176.8	-177.5	0	0	0	0	110.8	D235	D235-V237 PolarHBondContact O-N 3.01Å; D235-V237 PolarHBondContact OD1-N 3.41Å; D235-V237 VanDerWaalsContact OD1-N 3.16Å
238	T	84.8	Confident	84	Confident	57 Å²	57	81.4 Å²	81.4	35%	0.35	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.9	179.5	54.9	0	0	0	0	113.8	D235 Q240 K242	D235-T238 WeakPolarHBondContact CB-OG1 3.26Å; D235-T238 PolarHBondContact O-N 3.26Å; D235-T238 WeakPolarHBondContact OD1-CB 3.37Å; D235-T238 PolarHBondContact OD1-N 3.22Å; D235-T238 PolarHBondContact OD1-OG1 2.81Å; T238-Q240 WeakPolarHBondContact O-CG 3.14Å; T238-Q240 PolarHBondContact O-N 3.41Å; T238-K242 WeakPolarHBondContact OG1-CE 3.22Å; T238-K242 PolarHBondContact OG1-NZ 3.49Å
239	Y	74.9	Confident	84	Confident	174 Å²	174	81.6 Å²	81.6	68%	0.682	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	27	-178.3	-60.6	-91	0	0	0	114	Y234 D235	Y234-Y239 WeakPolarHBondContact CE2-O 3.39Å; Y234-Y239 VanDerWaalsContact OH-CA 3.29Å; Y234-Y239 WeakPolarHBondContact OH-CA 3.25Å; Y234-Y239 WeakPolarHBondContact OH-CB 3.5Å; Y234-Y239 WeakPolarHBondContact OH-CD1 3.28Å; Y234-Y239 PolarHBondContact OH-O 3.06Å; D235-Y239 WeakPolarHBondContact O-CA 3.22Å; D235-Y239 PolarHBondContact O-N 2.95Å
240	Q	70.8	Confident	83.9	Confident	122 Å²	122	81.9 Å²	81.9	57%	0.57	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.6	-172.5	-76.6	173.3	16.4	0	0	112	D235 T238 K242	D235-Q240 PolarHBondContact N-O 3.11Å; D235-Q240 PolarHBondContact O-N 2.92Å; T238-Q240 WeakPolarHBondContact O-CG 3.14Å; T238-Q240 PolarHBondContact O-N 3.41Å; Q240-K242 PolarHBondContact O-N 3.39Å
241	S	81.6	Confident	84	Confident	83 Å²	83	79.2 Å²	79.2	58%	0.58	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.9	168.1	-170.6	0	0	0	0	109.3	N232 F233	N232-S241 WeakPolarHBondContact CB-OG 3.22Å; F233-S241 WeakPolarHBondContact O-CA 3.06Å
242	K	82.6	Confident	84	Confident	62 Å²	62	78.8 Å²	78.8	27%	0.27	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.2	179.5	-68.3	-174.8	-174.2	167.9	0	110.6	N232 F233 D235 T238 Q240 N244	N232-K242 CarbonylContact C-O 3.6Å; N232-K242 VanDerWaalsContact CA-O 3.23Å; N232-K242 WeakPolarHBondContact CA-O 3.25Å; N232-K242 WeakPolarHBondContact CB-O 3.3Å; F233-K242 HydrophobicContact CD1-CB 4.37Å; F233-K242 WeakPolarHBondContact CD1-O 3.23Å; F233-K242 HydrophobicContact CE1-CB 3.82Å; F233-K242 HydrophobicContact CE2-CB 4.43Å; F233-K242 HydrophobicContact CZ-CB 3.86Å; F233-K242 HydrophobicContact CZ-CD 4.46Å; F233-K242 PolarHBondContact N-O 3.17Å; F233-K242 PolarHBondContact O-N 3.03Å; D235-K242 HydrophobicContact CB-CD 3.79Å; D235-K242 HydrophobicContact CB-CG 4.16Å; D235-K242 IonicContact OD1-NZ 2.74Å; D235-K242 WeakPolarHBondContact OD2-CE 3.45Å; D235-K242 IonicContact OD2-NZ 3.44Å; D235-K242 PolarHBondContact OD2-NZ 3.34Å; T238-K242 WeakPolarHBondContact OG1-CE 3.22Å; T238-K242 PolarHBondContact OG1-NZ 3.49Å; Q240-K242 PolarHBondContact O-N 3.39Å; K242-N244 PolarHBondContact O-N 3.41Å
243	P	86.5	Confident	84.1	Confident	102 Å²	102	75.2 Å²	75.2	66%	0.662	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	131.3	177.7	26.6	-34.3	0	0	0	110.6	N232 P245	N232-P243 WeakPolarHBondContact OD1-CA 3.18Å; P243-P245 WeakPolarHBondContact O-CD 3.36Å
244	N	86.8	Confident	84.3	Confident	25 Å²	25	73.1 Å²	73.1	13%	0.134	40%	0.396	C	S	.	.			trans	-83.2	114.9	-178.4	179.9	7.9	0	0	0	110.1	P230 P231 F233 K242 N246 K247	P230-N244 WeakPolarHBondContact O-CB 3.48Å; P230-N244 PolarHBondContact O-ND2 2.73Å; P231-N244 PolarHBondContact O-N 2.98Å; F233-N244 HydrophobicContact CD1-CB 4Å; K242-N244 PolarHBondContact O-N 3.41Å; N244-N246 PolarHBondContact O-N 3.37Å; N244-N246 WeakPolarHBondContact OD1-CA 3.36Å; N244-N246 WeakPolarHBondContact OD1-CB 3.06Å; N244-N246 PolarHBondContact OD1-N 2.81Å; N244-K247 HydrophobicContact CB-CB 4.24Å; N244-K247 WeakPolarHBondContact O-CB 3.4Å; N244-K247 WeakPolarHBondContact O-CG 3.45Å; N244-K247 PolarHBondContact O-N 3.49Å
245	P	86.5	Confident	84.9	Confident	113 Å²	113	66.8 Å²	66.8	73%	0.734	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.6	177	29	-35.5	0	0	0	112.7	P243	P243-P245 WeakPolarHBondContact O-CD 3.36Å
246	N	87.4	Confident	85.3	Confident	113 Å²	113	66.9 Å²	66.9	60%	0.604	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	13.5	179	-68.4	-42.2	0	0	0	113.3	P229 N244	P229-N246 VanDerWaalsContact CB-O 3.25Å; P229-N246 WeakPolarHBondContact CB-O 3.06Å; N244-N246 PolarHBondContact O-N 3.37Å; N244-N246 WeakPolarHBondContact OD1-CA 3.36Å; N244-N246 WeakPolarHBondContact OD1-CB 3.06Å; N244-N246 PolarHBondContact OD1-N 2.81Å
247	K	88.9	Confident	85.8	Confident	122 Å²	122	70.7 Å²	70.7	53%	0.53	38%	0.38	S	S	.	.			trans	-55.9	145.1	179.4	68.2	-179.4	-177.3	176.3	0	112.5	P229 P230 P231 N244	P229-K247 WeakPolarHBondContact O-CA 3.28Å; P230-K247 WeakPolarHBondContact O-CB 3.41Å; P231-K247 HydrophobicContact CB-CD 4.22Å; N244-K247 HydrophobicContact CB-CB 4.24Å; N244-K247 WeakPolarHBondContact O-CB 3.4Å; N244-K247 WeakPolarHBondContact O-CG 3.45Å; N244-K247 PolarHBondContact O-N 3.49Å
248	K	91.8	Very high	86.2	Confident	34 Å²	34	70 Å²	70	15%	0.148	38%	0.376	C	S	.	.			trans	-140.2	144.4	174.3	-66	-177.5	-175.1	177.1	0	110.3	D220 S221 P229 C255 V256 K257	D220-K248 VanDerWaalsContact OD1-CD 3.23Å; D220-K248 WeakPolarHBondContact OD1-CD 3.07Å; D220-K248 WeakPolarHBondContact OD1-CE 3.38Å; D220-K248 IonicContact OD1-NZ 3.23Å; D220-K248 PolarHBondContact OD1-NZ 2.89Å; S221-K248 PolarHBondContact OG-NZ 2.85Å; P229-K248 HydrophobicContact CG-CB 4.5Å; P229-K248 HydrophobicContact CG-CD 4.41Å; P229-K248 HydrophobicContact CG-CG 4.46Å; P229-K248 PolarHBondContact O-N 3Å; K248-C255 HydrophobicContact CB-CB 3.98Å; K248-C255 HydrophobicContact CD-CB 3.88Å; K248-V256 CarbonylContact C-O 3.53Å; K248-V256 VanDerWaalsContact CA-O 3.29Å; K248-V256 WeakPolarHBondContact CA-O 3.04Å; K248-V256 WeakPolarHBondContact CB-O 3.4Å; K248-K257 HydrophobicContact CG-CG 4.35Å
249	L	90.9	Very high	86.2	Confident	24 Å²	24	68.4 Å²	68.4	13%	0.126	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	143.5	175.4	-56.5	171.7	0	0	0	109.2	C255 V256 C259 A265 M266 E267 V268	L249-C255 WeakPolarHBondContact O-CA 3.44Å; L249-V256 HydrophobicContact CB-CG2 4.28Å; L249-V256 PolarHBondContact N-O 2.94Å; L249-V256 PolarHBondContact O-N 2.78Å; L249-C259 VanDerWaalsContact CD1-SG 3.53Å; L249-A265 HydrophobicContact CD1-CB 4.15Å; L249-M266 VanDerWaalsContact CD2-O 3.3Å; L249-M266 WeakPolarHBondContact CD2-O 3.14Å; L249-E267 WeakPolarHBondContact CD2-O 3.34Å; L249-V268 WeakPolarHBondContact CA-O 3.42Å
250	S	90.6	Very high	86.6	Confident	30 Å²	30	62.3 Å²	62.3	21%	0.21	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.4	168.9	55.3	0	0	0	0	111.1	V268 A269 C270	S250-V268 PolarHBondContact N-O 3.1Å; S250-V268 PolarHBondContact OG-O 2.96Å; S250-A269 CarbonylContact O-C 3.53Å; S250-A269 WeakPolarHBondContact O-CA 3.4Å; S250-A269 WeakPolarHBondContact OG-CB 3.33Å; S250-C270 PolarHBondContact O-N 2.83Å
251	F	88.2	Confident	86.9	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.075	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	99	176	174	-111.6	0	0	0	108.8	V1 A253 T254 V256 P260 Y263 C270	V1-F251 HydrophobicContact CG1-CE1 4.31Å; V1-F251 HydrophobicContact CG1-CZ 4.38Å; F251-A253 PolarHBondContact O-N 3.17Å; F251-T254 PolarHBondContact N-O 3.01Å; F251-T254 PolarHBondContact O-N 2.84Å; F251-T254 PolarHBondContact O-OG1 2.79Å; F251-V256 HydrophobicContact CB-CG1 4.11Å; F251-V256 HydrophobicContact CB-CG2 3.78Å; F251-V256 HydrophobicContact CD1-CG1 4.39Å; F251-P260 HydrophobicContact CD1-CG 4.07Å; F251-P260 HydrophobicContact CD2-CG 4.12Å; F251-P260 HydrophobicContact CE1-CG 3.84Å; F251-P260 HydrophobicContact CE2-CG 3.9Å; F251-P260 HydrophobicContact CG-CG 4.21Å; F251-P260 HydrophobicContact CZ-CG 3.77Å; F251-Y263 HydrophobicContact CD2-CD1 4.49Å; F251-Y263 HydrophobicContact CD2-CE1 4.39Å; F251-Y263 HydrophobicContact CE2-CD1 4.07Å; F251-Y263 HydrophobicContact CE2-CD2 4.28Å; F251-Y263 AromaticContact CE2-CE1 3.67Å; F251-Y263 HydrophobicContact CE2-CE1 3.67Å; F251-Y263 AromaticContact CE2-CE2 3.9Å; F251-Y263 HydrophobicContact CE2-CE2 3.9Å; F251-Y263 HydrophobicContact CE2-CG 4.35Å; F251-Y263 AromaticContact CE2-CZ 3.56Å; F251-Y263 HydrophobicContact CZ-CE2 4.28Å; F251-C270 HydrophobicContact CB-CB 4.38Å; F251-C270 HydrophobicContact CD2-CB 4.04Å
252	G	85.1	Confident	86.8	Confident	22 Å²	22	58.2 Å²	58.2	23%	0.227	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-133.8	-164.3	0	0	0	0	0	110.3	H33 F218 T254	H33-G252 WeakPolarHBondContact NE2-CA 3.45Å; H33-G252 PolarHBondContact NE2-N 3.41Å; F218-G252 VanDerWaalsContact CE1-O 3.32Å; F218-G252 WeakPolarHBondContact CE1-O 3.47Å; G252-T254 VanDerWaalsContact C-N 3.26Å; G252-T254 PolarHBondContact O-N 3.39Å
253	A	86.8	Confident	86.8	Confident	7 Å²	7	56.5 Å²	56.5	6%	0.058	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	28.5	173.2	0	0	0	0	0	114.6	H217 F218 N219 F251	H217-A253 WeakPolarHBondContact O-CB 3.42Å; F218-A253 CarbonylContact C-O 3.58Å; F218-A253 WeakPolarHBondContact CA-O 3.37Å; N219-A253 PolarHBondContact N-O 2.75Å; F251-A253 PolarHBondContact O-N 3.17Å
254	T	89.8	Confident	86.8	Confident	44 Å²	44	51.7 Å²	51.7	27%	0.27	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.3	-179.4	70.1	0	0	0	0	112.7	N219 F251 G252	N219-T254 HydrophobicContact CB-CG2 4.47Å; F251-T254 PolarHBondContact N-O 3.01Å; F251-T254 PolarHBondContact O-N 2.84Å; F251-T254 PolarHBondContact O-OG1 2.79Å; G252-T254 VanDerWaalsContact C-N 3.26Å; G252-T254 PolarHBondContact O-N 3.39Å
255	C	91.9	Very high	86.8	Confident	10 Å²	10	51.8 Å²	51.8	7%	0.068	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.1	176.1	-56.3	0	0	0	0	111.3	N219 D220 C228 K248 L249	N219-C255 PolarHBondContact O-N 3Å; D220-C255 HydrophobicContact CB-CB 4.26Å; C228-C255 WeakPolarHBondContact CA-SG 3.48Å; C228-C255 HydrophobicContact CB-CB 3.82Å; C228-C255 WeakPolarHBondContact CB-SG 3.45Å; C228-C255 WeakPolarHBondContact SG-CA 3.31Å; C228-C255 WeakPolarHBondContact SG-CB 3.4Å; C228-C255 CovalentContact SG-SG 2.04Å; C228-C255 PolarHBondContact SG-SG 2.8Å; K248-C255 HydrophobicContact CB-CB 3.98Å; K248-C255 HydrophobicContact CD-CB 3.88Å; L249-C255 WeakPolarHBondContact O-CA 3.44Å
256	V	90	Very high	86.8	Confident	34 Å²	34	49.5 Å²	49.5	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.2	-175.9	-62.2	0	0	0	0	112	K248 L249 F251 T258	K248-V256 CarbonylContact C-O 3.53Å; K248-V256 VanDerWaalsContact CA-O 3.29Å; K248-V256 WeakPolarHBondContact CA-O 3.04Å; K248-V256 WeakPolarHBondContact CB-O 3.4Å; L249-V256 HydrophobicContact CB-CG2 4.28Å; L249-V256 PolarHBondContact N-O 2.94Å; L249-V256 PolarHBondContact O-N 2.78Å; F251-V256 HydrophobicContact CB-CG1 4.11Å; F251-V256 HydrophobicContact CB-CG2 3.78Å; F251-V256 HydrophobicContact CD1-CG1 4.39Å; V256-T258 WeakPolarHBondContact CB-O 3.3Å; V256-T258 VanDerWaalsContact CG2-O 3.27Å; V256-T258 WeakPolarHBondContact CG2-O 3.27Å
257	K	87.9	Confident	86.5	Confident	166 Å²	166	52 Å²	52	72%	0.722	27%	0.27	S	S	*	.	S	Bend	trans	-72.8	-34.8	176.5	-72.9	-171.6	174.4	-173.1	0	112.7	K248	K248-K257 HydrophobicContact CG-CG 4.35Å
258	T	85.9	Confident	86.3	Confident	108 Å²	108	50.2 Å²	50.2	66%	0.663	27%	0.269	S	S	*	.	S	Bend	trans	-136.6	148.7	178.6	50.6	0	0	0	0	107.7	V256	V256-T258 WeakPolarHBondContact CB-O 3.3Å; V256-T258 VanDerWaalsContact CG2-O 3.27Å; V256-T258 WeakPolarHBondContact CG2-O 3.27Å
259	C	85.9	Confident	86.2	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.162	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.6	152.2	174	-62.1	0	0	0	0	111.4	L249 C270	L249-C259 VanDerWaalsContact CD1-SG 3.53Å; C259-C270 WeakPolarHBondContact CA-SG 3.26Å; C259-C270 HydrophobicContact CB-CB 3.85Å; C259-C270 WeakPolarHBondContact CB-SG 3.47Å; C259-C270 WeakPolarHBondContact SG-CA 3.48Å; C259-C270 WeakPolarHBondContact SG-CB 3.38Å; C259-C270 CovalentContact SG-SG 2.04Å; C259-C270 PolarHBondContact SG-SG 3.05Å
260	P	81.9	Confident	86.1	Confident	47 Å²	47	49.2 Å²	49.2	31%	0.305	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-58.6	164.3	169.1	-22.1	34.1	0	0	0	112	F251 Y263	F251-P260 HydrophobicContact CD1-CG 4.07Å; F251-P260 HydrophobicContact CD2-CG 4.12Å; F251-P260 HydrophobicContact CE1-CG 3.84Å; F251-P260 HydrophobicContact CE2-CG 3.9Å; F251-P260 HydrophobicContact CG-CG 4.21Å; F251-P260 HydrophobicContact CZ-CG 3.77Å; P260-Y263 HydrophobicContact CB-CD2 4.07Å; P260-Y263 HydrophobicContact CG-CD2 4.41Å; P260-Y263 PolarHBondContact O-N 3.43Å
261	Y	77.6	Confident	85.7	Confident	103 Å²	103	49.5 Å²	49.5	40%	0.404	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	147.8	172	-176	-102.6	0	0	0	111.2	Y263 S430 H455	Y261-Y263 PolarHBondContact O-N 2.86Å; Y261-S430 WeakPolarHBondContact CE1-O 3.05Å; Y261-H455 AromaticContact CD1-CD2 3.95Å; Y261-H455 AromaticContact CD1-CE1 3.59Å; Y261-H455 AromaticContact CD1-CG 3.74Å; Y261-H455 AromaticContact CD1-ND1 3.52Å; Y261-H455 AromaticContact CD1-NE2 3.89Å; Y261-H455 AromaticContact CD2-CE1 3.97Å; Y261-H455 AromaticContact CD2-NE2 3.82Å; Y261-H455 HydrophobicContact CE1-CB 3.96Å; Y261-H455 AromaticContact CE1-CD2 3.37Å; Y261-H455 WeakPolarHBondContact CE1-CD2 3.45Å; Y261-H455 AromaticContact CE1-CE1 3.84Å; Y261-H455 AromaticContact CE1-CG 3.37Å; Y261-H455 AromaticContact CE1-ND1 3.68Å; Y261-H455 AromaticContact CE1-NE2 3.7Å; Y261-H455 AromaticContact CE2-CD2 3.93Å; Y261-H455 AromaticContact CE2-NE2 3.63Å; Y261-H455 AromaticContact CG-CE1 3.66Å; Y261-H455 AromaticContact CG-NE2 3.94Å; Y261-H455 AromaticContact CZ-CD2 3.35Å; Y261-H455 AromaticContact CZ-CG 3.88Å; Y261-H455 AromaticContact CZ-NE2 3.56Å
262	N	79.3	Confident	85.3	Confident	16 Å²	16	51.3 Å²	51.3	9%	0.086	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-10.8	-178	-156.8	18.7	0	0	0	116.6	R400 R402 S430	N262-R400 PolarHBondContact ND2-O 3.47Å; N262-R400 PolarHBondContact OD1-O 2.79Å; N262-R402 VanDerWaalsContact O-CD 3.3Å; N262-R402 WeakPolarHBondContact O-CD 3.05Å; N262-R402 PolarHBondContact O-NE 3.16Å; N262-R402 WeakPolarHBondContact OD1-CG 3.06Å; N262-R402 PolarHBondContact OD1-NE 3.43Å; N262-S430 PolarHBondContact ND2-O 2.84Å
263	Y	83.3	Confident	84.8	Confident	25 Å²	25	52.2 Å²	52.2	10%	0.098	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-86.3	149.4	170.3	-76.7	-99.9	0	0	0	112.1	L3 H33 F251 P260 Y261 L272	L3-Y263 WeakPolarHBondContact CD2-OH 3.39Å; H33-Y263 AromaticContact CE1-CE1 3.82Å; H33-Y263 PolarHBondContact ND1-OH 2.81Å; F251-Y263 HydrophobicContact CD2-CD1 4.49Å; F251-Y263 HydrophobicContact CD2-CE1 4.39Å; F251-Y263 HydrophobicContact CE2-CD1 4.07Å; F251-Y263 HydrophobicContact CE2-CD2 4.28Å; F251-Y263 AromaticContact CE2-CE1 3.67Å; F251-Y263 HydrophobicContact CE2-CE1 3.67Å; F251-Y263 AromaticContact CE2-CE2 3.9Å; F251-Y263 HydrophobicContact CE2-CE2 3.9Å; F251-Y263 HydrophobicContact CE2-CG 4.35Å; F251-Y263 AromaticContact CE2-CZ 3.56Å; F251-Y263 HydrophobicContact CZ-CE2 4.28Å; P260-Y263 HydrophobicContact CB-CD2 4.07Å; P260-Y263 HydrophobicContact CG-CD2 4.41Å; P260-Y263 PolarHBondContact O-N 3.43Å; Y261-Y263 PolarHBondContact O-N 2.86Å; Y263-L272 HydrophobicContact CD1-CD2 3.81Å; Y263-L272 HydrophobicContact CD1-CG 4.11Å; Y263-L272 HydrophobicContact CE1-CD1 4.45Å; Y263-L272 HydrophobicContact CE1-CD2 3.51Å; Y263-L272 HydrophobicContact CE1-CG 3.72Å; Y263-L272 HydrophobicContact CE2-CD2 4.26Å; Y263-L272 HydrophobicContact CG-CD2 4.32Å
264	L	86.1	Confident	84.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.7	180	-53.9	179	0	0	0	110.8	C270 T271 L272 E280 Q292	L264-C270 WeakPolarHBondContact O-CA 3.48Å; L264-T271 HydrophobicContact CB-CG2 3.91Å; L264-T271 WeakPolarHBondContact CB-O 3.5Å; L264-T271 PolarHBondContact N-O 2.93Å; L264-T271 PolarHBondContact O-N 2.9Å; L264-L272 WeakPolarHBondContact CD1-O 3.42Å; L264-E280 HydrophobicContact CD1-CG 4.42Å; L264-E280 HydrophobicContact CD2-CG 3.88Å; L264-Q292 WeakPolarHBondContact CA-O 3.42Å; L264-Q292 HydrophobicContact CD2-CB 3.44Å; L264-Q292 VanDerWaalsContact CD2-CB 3.44Å
265	A	87.2	Confident	83.6	Confident	27 Å²	27	53.7 Å²	53.7	22%	0.223	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129	174	0	0	0	0	0	112.3	L249 Q292 K293 C294	L249-A265 HydrophobicContact CD1-CB 4.15Å; A265-Q292 PolarHBondContact N-O 2.74Å; A265-K293 HydrophobicContact CB-CB 4.09Å; A265-K293 CarbonylContact O-C 3.53Å; A265-K293 VanDerWaalsContact O-CA 3.3Å; A265-K293 WeakPolarHBondContact O-CA 3.04Å; A265-K293 WeakPolarHBondContact O-CB 3.26Å; A265-C294 PolarHBondContact O-N 3.49Å
266	M	85.2	Confident	82.4	Confident	66 Å²	66	58.8 Å²	58.8	33%	0.325	31%	0.308	S	S	.	.			trans	-102.3	-173.5	160.2	-60	-178.6	65.4	0	0	109.4	L249 V268 A269 T271 P275 C294	L249-M266 VanDerWaalsContact CD2-O 3.3Å; L249-M266 WeakPolarHBondContact CD2-O 3.14Å; M266-V268 VanDerWaalsContact C-N 3.34Å; M266-V268 PolarHBondContact O-N 2.04Å; M266-A269 WeakPolarHBondContact CB-O 3.06Å; M266-A269 PolarHBondContact N-O 3.31Å; M266-T271 HydrophobicContact CG-CG2 3.81Å; M266-T271 HydrophobicContact SD-CG2 3.77Å; M266-P275 HydrophobicContact CE-CG 3.67Å; M266-P275 HydrophobicContact SD-CG 4.37Å; M266-C294 HydrophobicContact CG-CB 4.28Å
267	E	81.8	Confident	81.6	Confident	165 Å²	165	60.2 Å²	60.2	77%	0.771	32%	0.32	S	S	*	.	S	Bend	trans	-68.9	-29.1	-179.8	-61.9	-173.4	161.2	0	0	114.1	L249	L249-E267 WeakPolarHBondContact CD2-O 3.34Å
268	V	84.8	Confident	81.2	Confident	84 Å²	84	53.8 Å²	53.8	51%	0.509	29%	0.293	S	S	.	.	S	Bend	trans	-130.5	-9.9	-173.4	-61.4	0	0	0	0	114.6	P231 L249 S250 M266	P231-V268 HydrophobicContact CG-CG1 4.05Å; L249-V268 WeakPolarHBondContact CA-O 3.42Å; S250-V268 PolarHBondContact N-O 3.1Å; S250-V268 PolarHBondContact OG-O 2.96Å; M266-V268 VanDerWaalsContact C-N 3.34Å; M266-V268 PolarHBondContact O-N 2.04Å
269	A	89.6	Confident	80.9	Confident	23 Å²	23	52.3 Å²	52.3	19%	0.19	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-149	164	-170	0	0	0	0	0	112.5	S250 M266	S250-A269 CarbonylContact O-C 3.53Å; S250-A269 WeakPolarHBondContact O-CA 3.4Å; S250-A269 WeakPolarHBondContact OG-CB 3.33Å; M266-A269 WeakPolarHBondContact CB-O 3.06Å; M266-A269 PolarHBondContact N-O 3.31Å
270	C	88.4	Confident	80.6	Confident	15 Å²	15	52.7 Å²	52.7	10%	0.101	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.9	170.1	-61.1	0	0	0	0	110.6	S250 F251 C259 L264	S250-C270 PolarHBondContact O-N 2.83Å; F251-C270 HydrophobicContact CB-CB 4.38Å; F251-C270 HydrophobicContact CD2-CB 4.04Å; C259-C270 WeakPolarHBondContact CA-SG 3.26Å; C259-C270 HydrophobicContact CB-CB 3.85Å; C259-C270 WeakPolarHBondContact CB-SG 3.47Å; C259-C270 WeakPolarHBondContact SG-CA 3.48Å; C259-C270 WeakPolarHBondContact SG-CB 3.38Å; C259-C270 CovalentContact SG-SG 2.04Å; C259-C270 PolarHBondContact SG-SG 3.05Å; L264-C270 WeakPolarHBondContact O-CA 3.48Å
271	T	83.6	Confident	80.5	Confident	36 Å²	36	51.9 Å²	51.9	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.2	-177.7	-175.8	0	0	0	0	111.7	L264 M266 N273	L264-T271 HydrophobicContact CB-CG2 3.91Å; L264-T271 WeakPolarHBondContact CB-O 3.5Å; L264-T271 PolarHBondContact N-O 2.93Å; L264-T271 PolarHBondContact O-N 2.9Å; M266-T271 HydrophobicContact CG-CG2 3.81Å; M266-T271 HydrophobicContact SD-CG2 3.77Å; T271-N273 WeakPolarHBondContact CG2-O 3.48Å; T271-N273 PolarHBondContact OG1-N 2.91Å; T271-N273 PolarHBondContact OG1-O 2.04Å
272	L	78.1	Confident	80.5	Confident	54 Å²	54	51 Å²	51	28%	0.283	27%	0.272	S	S	.	.	S	Bend	trans	-85.8	-30.5	171.1	-69.4	167.3	0	0	0	112	Y263 L264 R402	Y263-L272 HydrophobicContact CD1-CD2 3.81Å; Y263-L272 HydrophobicContact CD1-CG 4.11Å; Y263-L272 HydrophobicContact CE1-CD1 4.45Å; Y263-L272 HydrophobicContact CE1-CD2 3.51Å; Y263-L272 HydrophobicContact CE1-CG 3.72Å; Y263-L272 HydrophobicContact CE2-CD2 4.26Å; Y263-L272 HydrophobicContact CG-CD2 4.32Å; L264-L272 WeakPolarHBondContact CD1-O 3.42Å; L272-R402 HydrophobicContact CB-CB 4.36Å; L272-R402 HydrophobicContact CD2-CB 4.07Å; L272-R402 HydrophobicContact CD2-CG 4.45Å; L272-R402 WeakPolarHBondContact O-CD 3.45Å
273	N	75.3	Confident	80.2	Confident	42 Å²	42	53.5 Å²	53.5	23%	0.225	29%	0.285	C	S	.	.	S	Bend	trans	-131.5	143.9	-178.7	-72.5	-34.5	0	0	0	110.8	T271	T271-N273 WeakPolarHBondContact CG2-O 3.48Å; T271-N273 PolarHBondContact OG1-N 2.91Å; T271-N273 PolarHBondContact OG1-O 2.04Å
274	C	77.1	Confident	79.7	Confident	31 Å²	31	59.5 Å²	59.5	21%	0.209	31%	0.312	C	S	.	.			trans	-73.9	146.5	173.4	-64	0	0	0	0	111.8	N278 C294	C274-N278 HydrophobicContact CB-CB 4.2Å; C274-C294 WeakPolarHBondContact CA-SG 3.42Å; C274-C294 HydrophobicContact CB-CB 3.77Å; C274-C294 WeakPolarHBondContact CB-SG 3.43Å; C274-C294 WeakPolarHBondContact SG-CA 3.05Å; C274-C294 WeakPolarHBondContact SG-CB 3.31Å; C274-C294 CovalentContact SG-SG 2.04Å; C274-C294 PolarHBondContact SG-SG 2.74Å
275	P	75.1	Confident	78.7	Confident	50 Å²	50	63.4 Å²	63.4	33%	0.325	33%	0.33	S	S	.	.			trans	-57.7	149.3	165.2	-21.7	32.7	0	0	0	111	M266 S277 N278	M266-P275 HydrophobicContact CE-CG 3.67Å; M266-P275 HydrophobicContact SD-CG 4.37Å; P275-S277 PolarHBondContact O-N 2.9Å; P275-N278 WeakPolarHBondContact O-CA 3.02Å; P275-N278 WeakPolarHBondContact O-CB 3.41Å; P275-N278 PolarHBondContact O-N 3.21Å; P275-N278 VanDerWaalsContact O-O 3.08Å
276	R	67.1	Low	77.6	Confident	118 Å²	118	69 Å²	69	45%	0.445	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.6	-178.3	-73.7	-178	166.4	-151.6	1.1	115.7	N278 C301 D311 N312	R276-N278 VanDerWaalsContact C-N 3.26Å; R276-C301 PolarHBondContact O-SG 3.39Å; R276-D311 PolarHBondContact NH2-O 2.93Å; R276-N312 WeakPolarHBondContact CD-O 3.46Å; R276-N312 PolarHBondContact NH1-OD1 3.46Å; R276-N312 PolarHBondContact NH2-OD1 2.92Å
277	S	71.5	Confident	76.5	Confident	64 Å²	64	71.1 Å²	71.1	45%	0.448	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.5	171.5	53.8	0	0	0	0	113.9	P275 K296 C297	P275-S277 PolarHBondContact O-N 2.9Å; S277-K296 WeakPolarHBondContact O-CA 3.34Å; S277-C297 PolarHBondContact O-N 2.8Å
278	N	79.7	Confident	75.5	Confident	30 Å²	30	66.1 Å²	66.1	16%	0.16	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.4	-169.7	-64.4	50.2	0	0	0	111.2	C274 P275 R276 C294 E295 K296	C274-N278 HydrophobicContact CB-CB 4.2Å; P275-N278 WeakPolarHBondContact O-CA 3.02Å; P275-N278 WeakPolarHBondContact O-CB 3.41Å; P275-N278 PolarHBondContact O-N 3.21Å; P275-N278 VanDerWaalsContact O-O 3.08Å; R276-N278 VanDerWaalsContact C-N 3.26Å; N278-C294 HydrophobicContact CB-CB 4.09Å; N278-C294 PolarHBondContact ND2-O 2.67Å; N278-E295 CarbonylContact C-O 3.51Å; N278-E295 WeakPolarHBondContact CA-O 3.03Å; N278-E295 VanDerWaalsContact CB-O 3.26Å; N278-E295 WeakPolarHBondContact CB-O 3.02Å; N278-K296 PolarHBondContact ND2-N 2.75Å
279	K	79.9	Confident	74.4	Confident	77 Å²	77	65.1 Å²	65.1	34%	0.335	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	144.5	171	50.5	174.5	-177.6	-177.7	0	110.3	V281 C294 E295	K279-V281 HydrophobicContact CD-CG1 3.86Å; K279-V281 HydrophobicContact CG-CG1 3.95Å; K279-C294 WeakPolarHBondContact O-CA 3.44Å; K279-E295 HydrophobicContact CG-CB 4.35Å; K279-E295 WeakPolarHBondContact CG-O 3.16Å; K279-E295 PolarHBondContact N-O 2.7Å; K279-E295 IonicContact NZ-OE2 3.41Å; K279-E295 PolarHBondContact O-N 2.74Å
280	E	80.4	Confident	73.4	Confident	33 Å²	33	69 Å²	69	15%	0.154	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.6	165.1	-173	-173.2	148.8	0	0	108.9	L264 Q292 K337 F339 R402	L264-E280 HydrophobicContact CD1-CG 4.42Å; L264-E280 HydrophobicContact CD2-CG 3.88Å; E280-Q292 PolarHBondContact OE1-NE2 2.7Å; E280-K337 IonicContact OE1-NZ 3.77Å; E280-K337 PolarHBondContact OE1-NZ 3.02Å; E280-K337 VanDerWaalsContact OE1-NZ 3.15Å; E280-K337 IonicContact OE2-NZ 3.34Å; E280-K337 PolarHBondContact OE2-NZ 2.83Å; E280-F339 HydrophobicContact CB-CE1 4.42Å; E280-R402 IonicContact OE1-CZ 2.77Å; E280-R402 IonicContact OE1-NH1 2.81Å; E280-R402 IonicContact OE1-NH2 3.22Å; E280-R402 PolarHBondContact OE1-NH2 2.97Å; E280-R402 IonicContact OE2-CZ 2.81Å; E280-R402 IonicContact OE2-NH1 3.65Å; E280-R402 PolarHBondContact OE2-NH1 3.46Å; E280-R402 IonicContact OE2-NH2 3.44Å
281	V	79.8	Confident	72.6	Confident	30 Å²	30	70.7 Å²	70.7	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.6	173.6	-58.4	0	0	0	0	111.2	K279 Q292 K293 E295	K279-V281 HydrophobicContact CD-CG1 3.86Å; K279-V281 HydrophobicContact CG-CG1 3.95Å; V281-Q292 WeakPolarHBondContact O-CA 3.46Å; V281-K293 HydrophobicContact CG2-CD 4.18Å; V281-K293 HydrophobicContact CG2-CG 3.54Å; V281-K293 PolarHBondContact N-O 2.79Å; V281-K293 PolarHBondContact O-N 3.3Å; V281-E295 HydrophobicContact CG1-CB 4.44Å; V281-E295 HydrophobicContact CG2-CB 4.2Å; V281-E295 HydrophobicContact CG2-CG 3.71Å
282	I	76.9	Confident	72.3	Confident	83 Å²	83	70.2 Å²	70.2	43%	0.426	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.9	175.3	-60.5	164	0	0	0	107.8	E290 Q292	I282-E290 HydrophobicContact CG2-CB 3.92Å; I282-E290 HydrophobicContact CG2-CG 4.13Å; I282-Q292 HydrophobicContact CG1-CG 4.12Å
283	I	73.6	Confident	72.7	Confident	70 Å²	70	70.6 Å²	70.6	36%	0.359	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.8	165.2	-44.8	172.7	0	0	0	107.7	E290 T291 K293	I283-E290 WeakPolarHBondContact O-CA 3.3Å; I283-T291 PolarHBondContact N-O 2.66Å; I283-T291 PolarHBondContact O-N 3.44Å; I283-T291 PolarHBondContact O-OG1 2.65Å; I283-K293 HydrophobicContact CD1-CD 3.78Å; I283-K293 VanDerWaalsContact CD1-CE 3.5Å; I283-K293 HydrophobicContact CD1-CG 4.22Å; I283-K293 HydrophobicContact CG1-CD 4.25Å; I283-K293 HydrophobicContact CG1-CG 4.31Å
284	K	71.6	Confident	73.3	Confident	150 Å²	150	69.1 Å²	69.1	65%	0.652	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.6	159.6	-65.2	178.1	-178	-77.4	0	107.9	E290	K284-E290 HydrophobicContact CG-CG 4.2Å; K284-E290 IonicContact NZ-OE1 3.49Å; K284-E290 PolarHBondContact NZ-OE1 2.68Å
285	Q	65.4	Low	73.6	Confident	83 Å²	83	71 Å²	71	39%	0.388	38%	0.381	S	S	.	.			trans	-73.2	162.3	174.3	-69.9	-164.8	101.5	0	0	111	D287 G288 T289 T291	Q285-D287 WeakPolarHBondContact CB-OD1 3.44Å; Q285-D287 PolarHBondContact O-N 3.39Å; Q285-D287 VanDerWaalsContact O-N 3.13Å; Q285-G288 PolarHBondContact O-N 2.88Å; Q285-T289 PolarHBondContact N-O 2.77Å; Q285-T289 PolarHBondContact NE2-OG1 3.33Å; Q285-T291 HydrophobicContact CG-CG2 4.44Å
286	P	64.6	Low	74	Confident	144 Å²	144	76.2 Å²	76.2	94%	0.935	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.8	-178.4	-23.3	35	0	0	0	115.1	G288	P286-G288 VanDerWaalsContact C-N 3.31Å
287	D	62.5	Low	74.5	Confident	112 Å²	112	71.5 Å²	71.5	60%	0.599	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.9	173.5	62.5	3.1	0	0	0	113.4	Q285 T289	Q285-D287 WeakPolarHBondContact CB-OD1 3.44Å; Q285-D287 PolarHBondContact O-N 3.39Å; Q285-D287 VanDerWaalsContact O-N 3.13Å; D287-T289 WeakPolarHBondContact OD1-CB 3.41Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.48Å; D287-T289 PolarHBondContact OD1-N 2.72Å; D287-T289 PolarHBondContact OD1-OG1 3.44Å; D287-T289 PolarHBondContact OD2-OG1 2.65Å
288	G	60.8	Low	74.7	Confident	60 Å²	60	77.6 Å²	77.6	62%	0.619	41%	0.405	S	S	*	.	S	Bend	trans	87.4	-2.7	-176.1	0	0	0	0	0	114.8	Q285 P286	Q285-G288 PolarHBondContact O-N 2.88Å; P286-G288 VanDerWaalsContact C-N 3.31Å
289	T	61.8	Low	74.2	Confident	62 Å²	62	80 Å²	80	38%	0.38	43%	0.43	S	S	.	.			trans	-74.9	136.3	179.8	62.3	0	0	0	0	111.9	Q285 D287	Q285-T289 PolarHBondContact N-O 2.77Å; Q285-T289 PolarHBondContact NE2-OG1 3.33Å; D287-T289 WeakPolarHBondContact OD1-CB 3.41Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.48Å; D287-T289 PolarHBondContact OD1-N 2.72Å; D287-T289 PolarHBondContact OD1-OG1 3.44Å; D287-T289 PolarHBondContact OD2-OG1 2.65Å
290	E	68.1	Low	73.5	Confident	105 Å²	105	84.2 Å²	84.2	49%	0.491	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.2	175.6	-63.6	-159.2	163.3	0	0	110.7	I282 I283 K284	I282-E290 HydrophobicContact CG2-CB 3.92Å; I282-E290 HydrophobicContact CG2-CG 4.13Å; I283-E290 WeakPolarHBondContact O-CA 3.3Å; K284-E290 HydrophobicContact CG-CG 4.2Å; K284-E290 IonicContact NZ-OE1 3.49Å; K284-E290 PolarHBondContact NZ-OE1 2.68Å
291	T	71.4	Confident	72.6	Confident	51 Å²	51	84.4 Å²	84.4	31%	0.313	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	178.1	50.9	0	0	0	0	110.4	I283 Q285	I283-T291 PolarHBondContact N-O 2.66Å; I283-T291 PolarHBondContact O-N 3.44Å; I283-T291 PolarHBondContact O-OG1 2.65Å; Q285-T291 HydrophobicContact CG-CG2 4.44Å
292	Q	78.6	Confident	71.7	Confident	25 Å²	25	86.5 Å²	86.5	12%	0.117	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.6	-175.2	-62.2	179.1	-47.6	0	0	110.1	L264 A265 E280 V281 I282 R402	L264-Q292 WeakPolarHBondContact CA-O 3.42Å; L264-Q292 HydrophobicContact CD2-CB 3.44Å; L264-Q292 VanDerWaalsContact CD2-CB 3.44Å; A265-Q292 PolarHBondContact N-O 2.74Å; E280-Q292 PolarHBondContact OE1-NE2 2.7Å; V281-Q292 WeakPolarHBondContact O-CA 3.46Å; I282-Q292 HydrophobicContact CG1-CG 4.12Å; Q292-R402 VanDerWaalsContact CD-NH2 3.26Å
293	K	86.2	Confident	70.7	Confident	62 Å²	62	92.8 Å²	92.8	27%	0.27	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.5	178.9	65.9	162.3	177.9	174.5	0	112.2	A265 V281 I283 E295	A265-K293 HydrophobicContact CB-CB 4.09Å; A265-K293 CarbonylContact O-C 3.53Å; A265-K293 VanDerWaalsContact O-CA 3.3Å; A265-K293 WeakPolarHBondContact O-CA 3.04Å; A265-K293 WeakPolarHBondContact O-CB 3.26Å; V281-K293 HydrophobicContact CG2-CD 4.18Å; V281-K293 HydrophobicContact CG2-CG 3.54Å; V281-K293 PolarHBondContact N-O 2.79Å; V281-K293 PolarHBondContact O-N 3.3Å; I283-K293 HydrophobicContact CD1-CD 3.78Å; I283-K293 VanDerWaalsContact CD1-CE 3.5Å; I283-K293 HydrophobicContact CD1-CG 4.22Å; I283-K293 HydrophobicContact CG1-CD 4.25Å; I283-K293 HydrophobicContact CG1-CG 4.31Å; K293-E295 HydrophobicContact CD-CG 4.08Å; K293-E295 WeakPolarHBondContact CE-OE1 3.13Å; K293-E295 IonicContact NZ-OE1 3.44Å; K293-E295 PolarHBondContact NZ-OE1 3.45Å
294	C	86.6	Confident	70.3	Confident	12 Å²	12	91.9 Å²	91.9	8%	0.081	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	93.4	177.9	-63.9	0	0	0	0	111.5	A265 M266 C274 N278 K279	A265-C294 PolarHBondContact O-N 3.49Å; M266-C294 HydrophobicContact CG-CB 4.28Å; C274-C294 WeakPolarHBondContact CA-SG 3.42Å; C274-C294 HydrophobicContact CB-CB 3.77Å; C274-C294 WeakPolarHBondContact CB-SG 3.43Å; C274-C294 WeakPolarHBondContact SG-CA 3.05Å; C274-C294 WeakPolarHBondContact SG-CB 3.31Å; C274-C294 CovalentContact SG-SG 2.04Å; C274-C294 PolarHBondContact SG-SG 2.74Å; N278-C294 HydrophobicContact CB-CB 4.09Å; N278-C294 PolarHBondContact ND2-O 2.67Å; K279-C294 WeakPolarHBondContact O-CA 3.44Å
295	E	84.4	Confident	70.4	Confident	70 Å²	70	86.1 Å²	86.1	33%	0.327	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.9	173.3	-80	-175	163.2	0	0	111.6	N278 K279 V281 K293	N278-E295 CarbonylContact C-O 3.51Å; N278-E295 WeakPolarHBondContact CA-O 3.03Å; N278-E295 VanDerWaalsContact CB-O 3.26Å; N278-E295 WeakPolarHBondContact CB-O 3.02Å; K279-E295 HydrophobicContact CG-CB 4.35Å; K279-E295 WeakPolarHBondContact CG-O 3.16Å; K279-E295 PolarHBondContact N-O 2.7Å; K279-E295 IonicContact NZ-OE2 3.41Å; K279-E295 PolarHBondContact O-N 2.74Å; V281-E295 HydrophobicContact CG1-CB 4.44Å; V281-E295 HydrophobicContact CG2-CB 4.2Å; V281-E295 HydrophobicContact CG2-CG 3.71Å; K293-E295 HydrophobicContact CD-CG 4.08Å; K293-E295 WeakPolarHBondContact CE-OE1 3.13Å; K293-E295 IonicContact NZ-OE1 3.44Å; K293-E295 PolarHBondContact NZ-OE1 3.45Å
296	K	82.9	Confident	70.7	Confident	159 Å²	159	86.2 Å²	86.2	69%	0.691	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	138.6	171.3	-165.5	-178.3	177.5	-175.3	0	110.2	S277 N278	S277-K296 WeakPolarHBondContact O-CA 3.34Å; N278-K296 PolarHBondContact ND2-N 2.75Å
297	C	78.9	Confident	70.5	Confident	20 Å²	20	79.8 Å²	79.8	14%	0.135	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-70.4	138.7	172.3	-59	0	0	0	0	110.1	S277 A299 C301	S277-C297 PolarHBondContact O-N 2.8Å; C297-A299 VanDerWaalsContact C-N 3.29Å; C297-A299 WeakPolarHBondContact CB-O 3.45Å; C297-C301 HydrophobicContact CB-CB 4.13Å; C297-C301 WeakPolarHBondContact CB-SG 3.5Å; C297-C301 VanDerWaalsContact SG-CA 3.59Å; C297-C301 WeakPolarHBondContact SG-CB 3.28Å; C297-C301 CovalentContact SG-SG 2.04Å; C297-C301 PolarHBondContact SG-SG 2.89Å
298	E	73.8	Confident	70	Confident	192 Å²	192	77.2 Å²	77.2	90%	0.897	42%	0.421	S	S	*	.	S	Bend	trans	-77.9	-17.8	179.9	-62.8	174.2	143.2	0	0	112.6
299	A	70.1	Confident	69.2	Low	81 Å²	81	75.7 Å²	75.7	67%	0.669	41%	0.405	S	S	*	.	S	Bend	trans	-143.1	-159.9	172.4	0	0	0	0	0	107.8	C297 C301	C297-A299 VanDerWaalsContact C-N 3.29Å; C297-A299 WeakPolarHBondContact CB-O 3.45Å; A299-C301 PolarHBondContact O-N 2.9Å
300	D	64.6	Low	68.4	Low	165 Å²	165	74 Å²	74	88%	0.882	39%	0.393	S	S	*	.	S	Bend	trans	-51.9	128.4	167.7	-69.3	-38.2	0	0	0	110.7
301	C	62.9	Low	66.9	Low	36 Å²	36	72 Å²	72	24%	0.243	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-61.3	146.6	168.5	-54.2	0	0	0	0	109.1	R276 C297 A299	R276-C301 PolarHBondContact O-SG 3.39Å; C297-C301 HydrophobicContact CB-CB 4.13Å; C297-C301 WeakPolarHBondContact CB-SG 3.5Å; C297-C301 VanDerWaalsContact SG-CA 3.59Å; C297-C301 WeakPolarHBondContact SG-CB 3.28Å; C297-C301 CovalentContact SG-SG 2.04Å; C297-C301 PolarHBondContact SG-SG 2.89Å; A299-C301 PolarHBondContact O-N 2.9Å
302	A	59.4	Low	65.1	Low	75 Å²	75	75.7 Å²	75.7	62%	0.62	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-57	155.8	176.9	0	0	0	0	0	111	D304	A302-D304 PolarHBondContact O-N 3.04Å
303	K	56.8	Low	62.9	Low	214 Å²	214	81.3 Å²	81.3	93%	0.93	43%	0.433	S	S	*	.			trans	-73.4	75	172.9	-73.2	-168.1	175.6	-175.3	0	110.4
304	D	64.4	Low	60.4	Low	52 Å²	52	79.7 Å²	79.7	28%	0.278	43%	0.434	S	S	.	.			trans	-59.6	148.3	173.1	-74.3	-43.6	0	0	0	111.3	A302 Y306 F339	A302-D304 PolarHBondContact O-N 3.04Å; D304-Y306 HydrophobicContact CB-CD2 4.35Å; D304-Y306 HydrophobicContact CB-CE2 3.64Å; D304-Y306 WeakPolarHBondContact O-CD2 2.93Å; D304-Y306 PolarHBondContact O-N 3.47Å; D304-Y306 VanDerWaalsContact O-N 3.15Å; D304-F339 HydrophobicContact CB-CD2 3.67Å; D304-F339 HydrophobicContact CB-CE2 3.67Å; D304-F339 HydrophobicContact CB-CG 4.47Å; D304-F339 HydrophobicContact CB-CZ 4.49Å; D304-F339 VanDerWaalsContact CG-CE2 3.48Å; D304-F339 WeakPolarHBondContact OD1-CE2 3.48Å
305	C	73.9	Confident	57.9	Low	28 Å²	28	83.4 Å²	83.4	19%	0.189	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	86.6	-175.5	-60.6	0	0	0	0	111.2	C335 I338 F339	C305-C335 HydrophobicContact CB-CB 3.58Å; C305-C335 WeakPolarHBondContact CB-SG 3.24Å; C305-C335 WeakPolarHBondContact SG-CB 3.38Å; C305-C335 CovalentContact SG-SG 2.01Å; C305-C335 PolarHBondContact SG-SG 2.98Å; C305-I338 HydrophobicContact CB-CG1 4.32Å; C305-I338 CarbonylContact O-C 3.58Å; C305-I338 VanDerWaalsContact O-CA 3.27Å; C305-I338 WeakPolarHBondContact O-CA 3.25Å; C305-F339 PolarHBondContact O-N 2.78Å
306	Y	71.2	Confident	55.7	Low	85 Å²	85	82.3 Å²	82.3	33%	0.333	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	149.3	173.4	-63.6	-85.1	0	0	0	111.6	D304 M310 F339	D304-Y306 HydrophobicContact CB-CD2 4.35Å; D304-Y306 HydrophobicContact CB-CE2 3.64Å; D304-Y306 WeakPolarHBondContact O-CD2 2.93Å; D304-Y306 PolarHBondContact O-N 3.47Å; D304-Y306 VanDerWaalsContact O-N 3.15Å; Y306-M310 HydrophobicContact CD1-SD 4.1Å; Y306-F339 VanDerWaalsContact CA-O 3.31Å; Y306-F339 WeakPolarHBondContact CA-O 3.34Å; Y306-F339 HydrophobicContact CD1-CB 3.58Å; Y306-F339 HydrophobicContact CE1-CB 3.62Å; Y306-F339 HydrophobicContact CE1-CG 4.26Å; Y306-F339 HydrophobicContact CG-CB 4.29Å
307	S	61.3	Low	53.5	Low	9 Å²	9	79.8 Å²	79.8	6%	0.063	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-73	146.2	164.1	65.8	0	0	0	0	110.1	M310 F339 G340 S341	S307-M310 PolarHBondContact O-N 3.33Å; S307-F339 PolarHBondContact N-O 2.7Å; S307-G340 VanDerWaalsContact OG-CA 3.3Å; S307-G340 WeakPolarHBondContact OG-CA 3.37Å; S307-S341 WeakPolarHBondContact CB-O 3.3Å; S307-S341 PolarHBondContact OG-N 3.21Å; S307-S341 VanDerWaalsContact OG-N 3.16Å
308	L	51.7	Low	51.6	Low	59 Å²	59	83.5 Å²	83.5	31%	0.309	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	151.3	171.5	-67.8	145.4	0	0	0	109.9	M310 T322 N328	L308-M310 VanDerWaalsContact C-N 3.33Å; L308-T322 HydrophobicContact CB-CG2 4.11Å; L308-T322 WeakPolarHBondContact O-CB 3.19Å; L308-T322 WeakPolarHBondContact O-CG2 3.07Å; L308-T322 PolarHBondContact O-OG1 3.1Å; L308-N328 HydrophobicContact CD1-CB 3.53Å
309	G	43.5	Very low	49.8	Very low	27 Å²	27	82.1 Å²	82.1	28%	0.278	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.6	-174.7	0	0	0	0	0	114.6	D317	G309-D317 PolarHBondContact O-N 3.38Å
310	M	44.8	Very low	48.5	Very low	28 Å²	28	80.5 Å²	80.5	14%	0.138	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-90.2	122.5	155.4	-62.7	-164	84.8	0	0	109.5	Y306 S307 L308 G314 V315 V316	Y306-M310 HydrophobicContact CD1-SD 4.1Å; S307-M310 PolarHBondContact O-N 3.33Å; L308-M310 VanDerWaalsContact C-N 3.33Å; M310-G314 WeakPolarHBondContact CE-O 3.4Å; M310-V315 WeakPolarHBondContact CA-O 3.33Å; M310-V316 HydrophobicContact CE-CG2 4.25Å; M310-V316 HydrophobicContact CG-CG2 4.44Å
311	D	38.2	Very low	47.8	Very low	62 Å²	62	74.9 Å²	74.9	33%	0.332	42%	0.416	S	S	.	.			trans	-78.3	-172.3	-178.3	91	-38.5	0	0	0	112.7	R276 L313 G314 V315	R276-D311 PolarHBondContact NH2-O 2.93Å; D311-L313 VanDerWaalsContact CG-N 3.3Å; D311-L313 PolarHBondContact O-N 3.48Å; D311-L313 WeakPolarHBondContact OD1-CA 3.4Å; D311-L313 PolarHBondContact OD1-N 3.38Å; D311-L313 WeakPolarHBondContact OD2-CD1 3.35Å; D311-L313 PolarHBondContact OD2-N 2.9Å; D311-G314 PolarHBondContact O-N 2.83Å; D311-G314 PolarHBondContact OD1-N 3.28Å; D311-V315 PolarHBondContact N-O 3.2Å; D311-V315 PolarHBondContact OD1-N 2.9Å
312	N	32.8	Very low	47.8	Very low	128 Å²	128	75 Å²	75	68%	0.684	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-6.4	177.4	-88.5	-11.8	0	0	0	115.2	R276	R276-N312 WeakPolarHBondContact CD-O 3.46Å; R276-N312 PolarHBondContact NH1-OD1 3.46Å; R276-N312 PolarHBondContact NH2-OD1 2.92Å
313	L	32.7	Very low	48.7	Very low	143 Å²	143	72.3 Å²	72.3	75%	0.749	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-8.6	172.8	-71.8	84.7	0	0	0	113	D311 V315	D311-L313 VanDerWaalsContact CG-N 3.3Å; D311-L313 PolarHBondContact O-N 3.48Å; D311-L313 WeakPolarHBondContact OD1-CA 3.4Å; D311-L313 PolarHBondContact OD1-N 3.38Å; D311-L313 WeakPolarHBondContact OD2-CD1 3.35Å; D311-L313 PolarHBondContact OD2-N 2.9Å; L313-V315 HydrophobicContact CB-CG2 4.19Å
314	G	33.6	Very low	50.1	Low	28 Å²	28	62.3 Å²	62.3	29%	0.289	35%	0.348	S	S	.	.	S	Bend	trans	83	16.1	-174.4	0	0	0	0	0	113.6	M310 D311	M310-G314 WeakPolarHBondContact CE-O 3.4Å; D311-G314 PolarHBondContact O-N 2.83Å; D311-G314 PolarHBondContact OD1-N 3.28Å
315	V	34.4	Very low	51.1	Low	91 Å²	91	61.6 Å²	61.6	55%	0.552	35%	0.346	S	S	*	.			trans	-77.4	142.2	169.5	-176.6	0	0	0	0	108.6	M310 D311 L313	M310-V315 WeakPolarHBondContact CA-O 3.33Å; D311-V315 PolarHBondContact N-O 3.2Å; D311-V315 PolarHBondContact OD1-N 2.9Å; L313-V315 HydrophobicContact CB-CG2 4.19Å
316	V	38.8	Very low	51.6	Low	47 Å²	47	61.1 Å²	61.1	29%	0.285	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-98.6	127.2	179.9	-179	0	0	0	0	108.4	M310 N318 M403	M310-V316 HydrophobicContact CE-CG2 4.25Å; M310-V316 HydrophobicContact CG-CG2 4.44Å; V316-N318 PolarHBondContact O-N 3.42Å; V316-N318 PolarHBondContact O-OD1 2.91Å; V316-M403 HydrophobicContact CB-CE 4.33Å; V316-M403 HydrophobicContact CG1-CE 3.84Å; V316-M403 HydrophobicContact CG2-CE 3.5Å; V316-M403 VanDerWaalsContact CG2-CE 3.5Å; V316-M403 HydrophobicContact CG2-SD 4.05Å
317	D	36.8	Very low	52	Low	105 Å²	105	60.9 Å²	60.9	56%	0.561	36%	0.358	S	S	*	.			trans	-75.2	95.6	174.1	-110.1	-38.7	0	0	0	110.2	G309 H319 S320	G309-D317 PolarHBondContact O-N 3.38Å; D317-H319 PolarHBondContact O-N 3.25Å; D317-S320 WeakPolarHBondContact CB-OG 3.29Å; D317-S320 PolarHBondContact O-N 3.17Å; D317-S320 PolarHBondContact O-OG 2.75Å
318	N	38	Very low	52.9	Low	99 Å²	99	61.6 Å²	61.6	53%	0.529	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	7.2	-176.7	-71.5	10.1	0	0	0	115.2	D6 V316	D6-N318 PolarHBondContact OD2-ND2 3.05Å; V316-N318 PolarHBondContact O-N 3.42Å; V316-N318 PolarHBondContact O-OD1 2.91Å
319	H	37	Very low	54.5	Low	162 Å²	162	58.9 Å²	58.9	75%	0.75	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-7.1	168.9	-60.6	109	0	0	0	113.4	D317	D317-H319 PolarHBondContact O-N 3.25Å
320	S	41.6	Very low	56.2	Low	47 Å²	47	59.7 Å²	59.7	33%	0.329	36%	0.355	S	S	.	.			trans	-108.6	92.1	173.3	68.4	0	0	0	0	110.9	D317 T322	D317-S320 WeakPolarHBondContact CB-OG 3.29Å; D317-S320 PolarHBondContact O-N 3.17Å; D317-S320 PolarHBondContact O-OG 2.75Å; S320-T322 VanDerWaalsContact C-N 3.28Å; S320-T322 PolarHBondContact O-N 2.98Å
321	V	51	Low	57.9	Low	47 Å²	47	63.7 Å²	63.7	29%	0.285	37%	0.374	S	S	.	.			trans	-67.7	97.7	155.3	175.6	0	0	0	0	105.7	V323 A343 Y405	V321-V323 VanDerWaalsContact C-N 3.31Å; V321-V323 WeakPolarHBondContact O-CG2 3.24Å; V321-V323 PolarHBondContact O-N 3.21Å; V321-A343 HydrophobicContact CG1-CB 3.48Å; V321-A343 VanDerWaalsContact CG1-CB 3.48Å; V321-Y405 HydrophobicContact CG1-CE2 4.14Å; V321-Y405 HydrophobicContact CG2-CE2 3.96Å
322	T	61.8	Low	60.1	Low	40 Å²	40	61 Å²	61	25%	0.245	36%	0.359	C	S	.	.			trans	-74.7	84.9	-173.4	35.4	0	0	0	0	111.1	L308 S320 V324	L308-T322 HydrophobicContact CB-CG2 4.11Å; L308-T322 WeakPolarHBondContact O-CB 3.19Å; L308-T322 WeakPolarHBondContact O-CG2 3.07Å; L308-T322 PolarHBondContact O-OG1 3.1Å; S320-T322 VanDerWaalsContact C-N 3.28Å; S320-T322 PolarHBondContact O-N 2.98Å; T322-V324 PolarHBondContact O-N 3.04Å
323	V	79.4	Confident	62.5	Low	18 Å²	18	58.1 Å²	58.1	11%	0.109	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-55.9	132.2	178.8	-176.1	0	0	0	0	110.4	V321 T325 N328 A343 R345 Q347 S348	V321-V323 VanDerWaalsContact C-N 3.31Å; V321-V323 WeakPolarHBondContact O-CG2 3.24Å; V321-V323 PolarHBondContact O-N 3.21Å; V323-T325 HydrophobicContact CG1-CG2 4.29Å; V323-T325 PolarHBondContact O-N 3.35Å; V323-N328 PolarHBondContact O-ND2 3.07Å; V323-A343 WeakPolarHBondContact CA-O 3.26Å; V323-R345 HydrophobicContact CG1-CB 4.16Å; V323-R345 HydrophobicContact CG1-CG 4.35Å; V323-R345 HydrophobicContact CG2-CB 4.27Å; V323-R345 HydrophobicContact CG2-CG 3.89Å; V323-Q347 HydrophobicContact CG1-CB 4.38Å; V323-S348 WeakPolarHBondContact CG1-OG 3.46Å
324	V	86.4	Confident	64.8	Low	3 Å²	3	60.1 Å²	60.1	2%	0.018	35%	0.349	C	S	.	.			trans	-70.7	128.2	171.3	-171.6	0	0	0	0	108.3	T322 N328 V329 L342 A343 F344 S348 L360 F368	T322-V324 PolarHBondContact O-N 3.04Å; V324-N328 WeakPolarHBondContact CA-OD1 3.05Å; V324-V329 HydrophobicContact CG1-CB 4.17Å; V324-V329 HydrophobicContact CG1-CG2 4.3Å; V324-L342 HydrophobicContact CG2-CD2 3.86Å; V324-A343 PolarHBondContact N-O 3.25Å; V324-F344 HydrophobicContact CB-CD1 4.02Å; V324-F344 HydrophobicContact CB-CE1 3.57Å; V324-F344 HydrophobicContact CB-CZ 3.96Å; V324-F344 HydrophobicContact CG1-CE1 3.79Å; V324-F344 HydrophobicContact CG1-CZ 4.15Å; V324-F344 HydrophobicContact CG2-CD1 4.41Å; V324-F344 HydrophobicContact CG2-CE1 3.86Å; V324-F344 HydrophobicContact CG2-CE2 4.13Å; V324-F344 HydrophobicContact CG2-CZ 3.7Å; V324-S348 WeakPolarHBondContact O-CA 3.38Å; V324-S348 WeakPolarHBondContact O-CB 3.08Å; V324-S348 PolarHBondContact O-OG 3.08Å; V324-L360 HydrophobicContact CB-CD1 4.37Å; V324-L360 HydrophobicContact CG1-CD1 4Å; V324-L360 WeakPolarHBondContact O-CD1 3.47Å; V324-F368 HydrophobicContact CG1-CE2 4.13Å; V324-F368 HydrophobicContact CG1-CZ 3.87Å; V324-F368 HydrophobicContact CG2-CZ 4.46Å
325	T	85.3	Confident	67.2	Low	38 Å²	38	59 Å²	59	23%	0.233	34%	0.336	C	S	.	.			trans	-135.3	166.3	-178.3	66.1	0	0	0	0	110.8	V323 A327 N328 V329	V323-T325 HydrophobicContact CG1-CG2 4.29Å; V323-T325 PolarHBondContact O-N 3.35Å; T325-A327 PolarHBondContact O-N 3.18Å; T325-N328 PolarHBondContact N-OD1 3.36Å; T325-N328 PolarHBondContact O-N 3.18Å; T325-N328 PolarHBondContact O-OD1 3.27Å; T325-N328 VanDerWaalsContact O-OD1 3.09Å; T325-N328 PolarHBondContact OG1-ND2 3.47Å; T325-V329 WeakPolarHBondContact O-CB 3.15Å; T325-V329 PolarHBondContact O-N 3.44Å
326	S	83.4	Confident	69.7	Low	18 Å²	18	58 Å²	58	13%	0.126	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.9	178.2	56.8	0	0	0	0	113.8	S358 Q364	S326-S358 WeakPolarHBondContact CB-O 3.44Å; S326-S358 PolarHBondContact OG-O 2.79Å; S326-Q364 PolarHBondContact O-NE2 3.11Å
327	A	79	Confident	72	Confident	79 Å²	79	57.6 Å²	57.6	65%	0.653	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.8	176.9	0	0	0	0	0	113.6	T325	T325-A327 PolarHBondContact O-N 3.18Å
328	N	80.4	Confident	74.3	Confident	24 Å²	24	52.6 Å²	52.6	13%	0.128	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-24.8	-170.8	74.6	23.1	0	0	0	114.8	L308 V323 V324 T325 G330 Q331	L308-N328 HydrophobicContact CD1-CB 3.53Å; V323-N328 PolarHBondContact O-ND2 3.07Å; V324-N328 WeakPolarHBondContact CA-OD1 3.05Å; T325-N328 PolarHBondContact N-OD1 3.36Å; T325-N328 PolarHBondContact O-N 3.18Å; T325-N328 PolarHBondContact O-OD1 3.27Å; T325-N328 VanDerWaalsContact O-OD1 3.09Å; T325-N328 PolarHBondContact OG1-ND2 3.47Å; N328-G330 PolarHBondContact O-N 3.04Å; N328-Q331 WeakPolarHBondContact O-CB 3.41Å; N328-Q331 WeakPolarHBondContact O-CG 3.17Å; N328-Q331 PolarHBondContact O-N 3.21Å; N328-Q331 VanDerWaalsContact O-N 3.08Å
329	V	84.9	Confident	76.3	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-53	-30.9	-177.1	65.4	0	0	0	0	115	V324 T325 Q331 F332 L360 Q364 F368	V324-V329 HydrophobicContact CG1-CB 4.17Å; V324-V329 HydrophobicContact CG1-CG2 4.3Å; T325-V329 WeakPolarHBondContact O-CB 3.15Å; T325-V329 PolarHBondContact O-N 3.44Å; V329-Q331 PolarHBondContact O-N 3.29Å; V329-Q331 VanDerWaalsContact O-N 3.12Å; V329-F332 PolarHBondContact O-N 3.12Å; V329-L360 HydrophobicContact CB-CD2 3.76Å; V329-L360 HydrophobicContact CG1-CD2 3.63Å; V329-L360 HydrophobicContact CG2-CD2 3.99Å; V329-Q364 HydrophobicContact CG1-CB 3.8Å; V329-Q364 HydrophobicContact CG1-CG 3.91Å; V329-Q364 HydrophobicContact CG2-CB 4.34Å; V329-Q364 WeakPolarHBondContact CG2-O 3.43Å; V329-F368 HydrophobicContact CG2-CE2 3.87Å; V329-F368 HydrophobicContact CG2-CZ 4.25Å
330	G	81	Confident	78.4	Confident	44 Å²	44	41.6 Å²	41.6	45%	0.454	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-59.5	-24.2	179.7	0	0	0	0	0	114.1	N328 F332 T333	N328-G330 PolarHBondContact O-N 3.04Å; G330-F332 PolarHBondContact O-N 3.1Å; G330-T333 WeakPolarHBondContact O-CB 3.48Å; G330-T333 VanDerWaalsContact O-CG2 3.24Å; G330-T333 WeakPolarHBondContact O-CG2 3.22Å; G330-T333 PolarHBondContact O-N 3.15Å; G330-T333 PolarHBondContact O-OG1 2.87Å
331	Q	80.1	Confident	80.5	Confident	112 Å²	112	39.7 Å²	39.7	52%	0.523	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-63.6	-29.5	176.1	-62.4	176.8	9.2	0	0	112	N328 V329	N328-Q331 WeakPolarHBondContact O-CB 3.41Å; N328-Q331 WeakPolarHBondContact O-CG 3.17Å; N328-Q331 PolarHBondContact O-N 3.21Å; N328-Q331 VanDerWaalsContact O-N 3.08Å; V329-Q331 PolarHBondContact O-N 3.29Å; V329-Q331 VanDerWaalsContact O-N 3.12Å
332	F	83.6	Confident	82.4	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.031	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.3	-3.9	-175.2	-53.4	-65.9	0	0	0	114.6	V329 G330 K334 C335 I338 L342 F368	V329-F332 PolarHBondContact O-N 3.12Å; G330-F332 PolarHBondContact O-N 3.1Å; F332-K334 PolarHBondContact O-N 3.38Å; F332-C335 VanDerWaalsContact CA-SG 3.52Å; F332-C335 WeakPolarHBondContact O-CB 3.49Å; F332-C335 PolarHBondContact O-N 3.3Å; F332-C335 VanDerWaalsContact O-N 3.14Å; F332-C335 PolarHBondContact O-SG 3.48Å; F332-I338 HydrophobicContact CD1-CD1 3.75Å; F332-I338 HydrophobicContact CD1-CG1 4.24Å; F332-I338 HydrophobicContact CE1-CD1 4.18Å; F332-I338 HydrophobicContact CG-CD1 4.43Å; F332-L342 HydrophobicContact CZ-CD2 4.35Å; F332-F368 HydrophobicContact CB-CD1 4Å; F332-F368 HydrophobicContact CB-CE1 3.48Å; F332-F368 VanDerWaalsContact CB-CE1 3.48Å; F332-F368 HydrophobicContact CB-CZ 4.07Å; F332-F368 HydrophobicContact CD1-CE1 4.25Å; F332-F368 AromaticContact CD2-CE1 3.56Å; F332-F368 HydrophobicContact CD2-CE1 3.56Å; F332-F368 AromaticContact CD2-CZ 3.5Å; F332-F368 HydrophobicContact CD2-CZ 3.5Å; F332-F368 VanDerWaalsContact CD2-CZ 3.5Å; F332-F368 HydrophobicContact CE2-CE1 4.38Å; F332-F368 HydrophobicContact CE2-CZ 4.21Å; F332-F368 HydrophobicContact CG-CD1 4.42Å; F332-F368 AromaticContact CG-CE1 3.48Å; F332-F368 HydrophobicContact CG-CE1 3.48Å; F332-F368 VanDerWaalsContact CG-CE1 3.48Å; F332-F368 AromaticContact CG-CZ 3.94Å; F332-F368 HydrophobicContact CG-CZ 3.94Å
333	T	82.6	Confident	83.7	Confident	66 Å²	66	35.7 Å²	35.7	41%	0.405	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.7	-172.7	51.2	0	0	0	0	116.4	G330 S367	G330-T333 WeakPolarHBondContact O-CB 3.48Å; G330-T333 VanDerWaalsContact O-CG2 3.24Å; G330-T333 WeakPolarHBondContact O-CG2 3.22Å; G330-T333 PolarHBondContact O-N 3.15Å; G330-T333 PolarHBondContact O-OG1 2.87Å; T333-S367 VanDerWaalsContact CG2-OG 3.28Å; T333-S367 WeakPolarHBondContact CG2-OG 3.19Å
334	K	82.2	Confident	84.3	Confident	186 Å²	186	34.8 Å²	34.8	81%	0.809	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	10.3	-177.9	-65.1	-176.6	179.1	178.8	0	113.6	F332	F332-K334 PolarHBondContact O-N 3.38Å
335	C	83.6	Confident	84.5	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.02	22%	0.217	C	C	.	.			trans	-97.4	127.1	-164.9	-56	0	0	0	0	113.2	C305 F332 K370	C305-C335 HydrophobicContact CB-CB 3.58Å; C305-C335 WeakPolarHBondContact CB-SG 3.24Å; C305-C335 WeakPolarHBondContact SG-CB 3.38Å; C305-C335 CovalentContact SG-SG 2.01Å; C305-C335 PolarHBondContact SG-SG 2.98Å; F332-C335 VanDerWaalsContact CA-SG 3.52Å; F332-C335 WeakPolarHBondContact O-CB 3.49Å; F332-C335 PolarHBondContact O-N 3.3Å; F332-C335 VanDerWaalsContact O-N 3.14Å; F332-C335 PolarHBondContact O-SG 3.48Å; C335-K370 CarbonylContact O-C 3.5Å
336	S	87.8	Confident	84.6	Confident	72 Å²	72	39.9 Å²	39.9	50%	0.503	23%	0.232	S	C	.	.	S	Bend	trans	-99.6	-28.9	169.5	53.7	0	0	0	0	113.3	K370 E372 E373	S336-K370 WeakPolarHBondContact CA-O 3.35Å; S336-E372 WeakPolarHBondContact O-CA 3.35Å; S336-E372 PolarHBondContact O-N 3.44Å; S336-E373 PolarHBondContact O-N 2.84Å; S336-E373 VanDerWaalsContact O-N 3.1Å
337	K	86.6	Confident	84.6	Confident	38 Å²	38	45.4 Å²	45.4	17%	0.165	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.4	170.4	176	165	170.9	162.8	0	109.9	E280 F339 E373	E280-K337 IonicContact OE1-NZ 3.77Å; E280-K337 PolarHBondContact OE1-NZ 3.02Å; E280-K337 VanDerWaalsContact OE1-NZ 3.15Å; E280-K337 IonicContact OE2-NZ 3.34Å; E280-K337 PolarHBondContact OE2-NZ 2.83Å; K337-F339 HydrophobicContact CB-CE2 4.27Å; K337-F339 HydrophobicContact CD-CE1 4.28Å; K337-F339 HydrophobicContact CD-CE2 3.95Å; K337-F339 HydrophobicContact CD-CZ 3.78Å; K337-F339 HydrophobicContact CG-CD2 4.12Å; K337-F339 HydrophobicContact CG-CE2 3.8Å; K337-F339 HydrophobicContact CG-CZ 4.16Å; K337-E373 CarbonylContact C-O 3.47Å; K337-E373 VanDerWaalsContact CA-O 3.31Å; K337-E373 WeakPolarHBondContact CA-O 3.46Å; K337-E373 HydrophobicContact CB-CB 4.27Å; K337-E373 HydrophobicContact CD-CB 4.23Å; K337-E373 HydrophobicContact CD-CG 4.14Å; K337-E373 WeakPolarHBondContact CE-OE1 3.45Å; K337-E373 HydrophobicContact CG-CB 4.04Å; K337-E373 HydrophobicContact CG-CG 4.24Å; K337-E373 IonicContact NZ-OE1 2.62Å; K337-E373 PolarHBondContact NZ-OE1 3.19Å
338	I	85.1	Confident	85	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.4	171.4	-74.1	171.8	0	0	0	109.9	C305 F332 G340 L342 F368 L371 E373 A375	C305-I338 HydrophobicContact CB-CG1 4.32Å; C305-I338 CarbonylContact O-C 3.58Å; C305-I338 VanDerWaalsContact O-CA 3.27Å; C305-I338 WeakPolarHBondContact O-CA 3.25Å; F332-I338 HydrophobicContact CD1-CD1 3.75Å; F332-I338 HydrophobicContact CD1-CG1 4.24Å; F332-I338 HydrophobicContact CE1-CD1 4.18Å; F332-I338 HydrophobicContact CG-CD1 4.43Å; I338-G340 PolarHBondContact O-N 3.16Å; I338-L342 HydrophobicContact CD1-CD1 3.95Å; I338-L342 HydrophobicContact CD1-CD2 4Å; I338-L342 HydrophobicContact CD1-CG 4.14Å; I338-F368 HydrophobicContact CD1-CD1 4.41Å; I338-F368 HydrophobicContact CD1-CE1 4.22Å; I338-L371 HydrophobicContact CB-CD1 4.12Å; I338-L371 HydrophobicContact CD1-CD1 3.66Å; I338-L371 HydrophobicContact CD1-CD2 3.83Å; I338-L371 HydrophobicContact CD1-CG 4.41Å; I338-L371 HydrophobicContact CG1-CD1 3.6Å; I338-E373 PolarHBondContact N-O 2.03Å; I338-A375 WeakPolarHBondContact O-CB 3.44Å; I338-A375 PolarHBondContact O-N 3.29Å
339	F	79.1	Confident	85.3	Confident	30 Å²	30	42.7 Å²	42.7	13%	0.132	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	79.8	175.9	-69	-96.5	0	0	0	108.5	E280 D304 C305 Y306 S307 K337	E280-F339 HydrophobicContact CB-CE1 4.42Å; D304-F339 HydrophobicContact CB-CD2 3.67Å; D304-F339 HydrophobicContact CB-CE2 3.67Å; D304-F339 HydrophobicContact CB-CG 4.47Å; D304-F339 HydrophobicContact CB-CZ 4.49Å; D304-F339 VanDerWaalsContact CG-CE2 3.48Å; D304-F339 WeakPolarHBondContact OD1-CE2 3.48Å; C305-F339 PolarHBondContact O-N 2.78Å; Y306-F339 VanDerWaalsContact CA-O 3.31Å; Y306-F339 WeakPolarHBondContact CA-O 3.34Å; Y306-F339 HydrophobicContact CD1-CB 3.58Å; Y306-F339 HydrophobicContact CE1-CB 3.62Å; Y306-F339 HydrophobicContact CE1-CG 4.26Å; Y306-F339 HydrophobicContact CG-CB 4.29Å; S307-F339 PolarHBondContact N-O 2.7Å; K337-F339 HydrophobicContact CB-CE2 4.27Å; K337-F339 HydrophobicContact CD-CE1 4.28Å; K337-F339 HydrophobicContact CD-CE2 3.95Å; K337-F339 HydrophobicContact CD-CZ 3.78Å; K337-F339 HydrophobicContact CG-CD2 4.12Å; K337-F339 HydrophobicContact CG-CE2 3.8Å; K337-F339 HydrophobicContact CG-CZ 4.16Å
340	G	80.6	Confident	85.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	146.4	-156.1	-171.1	0	0	0	0	0	111.5	S307 I338 I374 G376	S307-G340 VanDerWaalsContact OG-CA 3.3Å; S307-G340 WeakPolarHBondContact OG-CA 3.37Å; I338-G340 PolarHBondContact O-N 3.16Å; G340-I374 WeakPolarHBondContact O-CG2 3.36Å; G340-G376 VanDerWaalsContact O-CA 3.31Å; G340-G376 WeakPolarHBondContact O-CA 3.31Å; G340-G376 PolarHBondContact O-N 2.87Å
341	S	86.6	Confident	84.8	Confident	7 Å²	7	51.5 Å²	51.5	5%	0.049	26%	0.26	C	S	.	.			trans	-124.5	162.7	-172.3	-52.1	0	0	0	0	113	S307 G376 Y377	S307-S341 WeakPolarHBondContact CB-O 3.3Å; S307-S341 PolarHBondContact OG-N 3.21Å; S307-S341 VanDerWaalsContact OG-N 3.16Å; S341-G376 WeakPolarHBondContact OG-CA 3.38Å; S341-Y377 CarbonylContact C-O 3.6Å; S341-Y377 VanDerWaalsContact CA-O 3.32Å; S341-Y377 WeakPolarHBondContact CA-O 3.46Å; S341-Y377 VanDerWaalsContact CB-CD1 3.49Å; S341-Y377 VanDerWaalsContact CB-CE1 3.45Å; S341-Y377 WeakPolarHBondContact CB-O 3.19Å; S341-Y377 WeakPolarHBondContact OG-CD1 3.42Å; S341-Y377 WeakPolarHBondContact OG-CE1 3.38Å; S341-Y377 PolarHBondContact OG-N 3.5Å; S341-Y377 VanDerWaalsContact OG-N 3.07Å
342	L	90.1	Very high	84.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133	173.7	-68.9	-179.5	0	0	0	110.9	V324 F332 I338 F344 F368 L371 I374 Y377 L378 Y379 F393	V324-L342 HydrophobicContact CG2-CD2 3.86Å; F332-L342 HydrophobicContact CZ-CD2 4.35Å; I338-L342 HydrophobicContact CD1-CD1 3.95Å; I338-L342 HydrophobicContact CD1-CD2 4Å; I338-L342 HydrophobicContact CD1-CG 4.14Å; L342-F344 HydrophobicContact CB-CE2 4.04Å; L342-F344 HydrophobicContact CD1-CE2 4.4Å; L342-F368 HydrophobicContact CD1-CD1 4.03Å; L342-F368 HydrophobicContact CD1-CE1 3.8Å; L342-F368 HydrophobicContact CD1-CZ 4.47Å; L342-F368 HydrophobicContact CD2-CE1 3.89Å; L342-F368 HydrophobicContact CD2-CZ 4.23Å; L342-L371 HydrophobicContact CD1-CD2 3.9Å; L342-I374 HydrophobicContact CD1-CD1 4.08Å; L342-Y377 PolarHBondContact N-O 2.85Å; L342-L378 HydrophobicContact CB-CD1 3.84Å; L342-L378 HydrophobicContact CD1-CD1 4.46Å; L342-Y379 PolarHBondContact O-N 3.28Å; L342-F393 HydrophobicContact CD1-CE1 3.93Å; L342-F393 HydrophobicContact CD1-CZ 4.42Å
343	A	90.6	Very high	83.4	Confident	1 Å²	1	54 Å²	54	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	123	176.8	0	0	0	0	0	111.3	V321 V323 V324 Y377 Y379	V321-A343 HydrophobicContact CG1-CB 3.48Å; V321-A343 VanDerWaalsContact CG1-CB 3.48Å; V323-A343 WeakPolarHBondContact CA-O 3.26Å; V324-A343 PolarHBondContact N-O 3.25Å; A343-Y377 HydrophobicContact CB-CE2 4.44Å; A343-Y379 CarbonylContact C-O 3.53Å; A343-Y379 WeakPolarHBondContact CA-O 3.19Å; A343-Y379 HydrophobicContact CB-CD1 4.36Å
344	F	91.2	Very high	82.5	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.4	175.1	-64.4	-88	0	0	0	109.5	V324 L342 F349 L360 L365 F368 L378 Y379 I380 D381 W383 F393	V324-F344 HydrophobicContact CB-CD1 4.02Å; V324-F344 HydrophobicContact CB-CE1 3.57Å; V324-F344 HydrophobicContact CB-CZ 3.96Å; V324-F344 HydrophobicContact CG1-CE1 3.79Å; V324-F344 HydrophobicContact CG1-CZ 4.15Å; V324-F344 HydrophobicContact CG2-CD1 4.41Å; V324-F344 HydrophobicContact CG2-CE1 3.86Å; V324-F344 HydrophobicContact CG2-CE2 4.13Å; V324-F344 HydrophobicContact CG2-CZ 3.7Å; L342-F344 HydrophobicContact CB-CE2 4.04Å; L342-F344 HydrophobicContact CD1-CE2 4.4Å; F344-F349 HydrophobicContact CB-CE2 4.43Å; F344-F349 HydrophobicContact CD1-CZ 4.28Å; F344-L360 HydrophobicContact CD1-CD1 4.42Å; F344-L360 HydrophobicContact CE1-CD1 4.26Å; F344-L365 HydrophobicContact CD1-CD2 4.43Å; F344-L365 HydrophobicContact CE1-CD2 3.62Å; F344-L365 HydrophobicContact CZ-CD2 4.29Å; F344-F368 HydrophobicContact CE1-CE2 4.18Å; F344-F368 HydrophobicContact CZ-CD2 4.32Å; F344-F368 AromaticContact CZ-CE2 3.73Å; F344-F368 HydrophobicContact CZ-CE2 3.73Å; F344-F368 HydrophobicContact CZ-CZ 4.04Å; F344-L378 HydrophobicContact CD2-CD1 4.31Å; F344-L378 HydrophobicContact CE2-CD1 4.15Å; F344-Y379 PolarHBondContact N-O 2.82Å; F344-I380 HydrophobicContact CB-CG1 4.36Å; F344-I380 HydrophobicContact CB-CG2 4.13Å; F344-I380 HydrophobicContact CD2-CG1 4.15Å; F344-I380 WeakPolarHBondContact O-CA 3.32Å; F344-D381 PolarHBondContact O-N 3.3Å; F344-W383 HydrophobicContact CD1-CZ3 4.19Å; F344-W383 HydrophobicContact CG-CZ3 4.18Å; F344-F393 HydrophobicContact CE2-CE2 4.25Å; F344-F393 AromaticContact CE2-CZ 3.58Å; F344-F393 HydrophobicContact CE2-CZ 3.58Å; F344-F393 AromaticContact CZ-CZ 3.77Å; F344-F393 HydrophobicContact CZ-CZ 3.77Å
345	R	90.2	Very high	81.7	Confident	81 Å²	81	52.5 Å²	52.5	31%	0.306	29%	0.29	S	S	.	.			trans	-136.6	174.6	-174.1	-53.3	-161.9	75.3	-170.3	5.4	111.7	V323 Q347 S348 F349 Y379 D381 A382	V323-R345 HydrophobicContact CG1-CB 4.16Å; V323-R345 HydrophobicContact CG1-CG 4.35Å; V323-R345 HydrophobicContact CG2-CB 4.27Å; V323-R345 HydrophobicContact CG2-CG 3.89Å; R345-Q347 PolarHBondContact O-N 3.44Å; R345-Q347 VanDerWaalsContact O-N 3.07Å; R345-S348 PolarHBondContact N-OG 3.37Å; R345-S348 WeakPolarHBondContact O-CA 3.35Å; R345-S348 WeakPolarHBondContact O-CB 3.34Å; R345-S348 PolarHBondContact O-N 2.79Å; R345-S348 PolarHBondContact O-OG 3.07Å; R345-F349 WeakPolarHBondContact O-CD2 3.32Å; R345-Y379 HydrophobicContact CG-CE1 4.16Å; R345-D381 WeakPolarHBondContact CA-OD1 3.47Å; R345-D381 VanDerWaalsContact CB-OD1 3.28Å; R345-D381 WeakPolarHBondContact CB-OD1 3.41Å; R345-D381 IonicContact CZ-OD2 3.58Å; R345-D381 VanDerWaalsContact CZ-OD2 3.22Å; R345-D381 IonicContact NE-OD1 3.98Å; R345-D381 PolarHBondContact NE-OD1 3.24Å; R345-D381 IonicContact NE-OD2 3.75Å; R345-D381 PolarHBondContact NE-OD2 3.21Å; R345-D381 IonicContact NH2-OD2 2.83Å; R345-D381 PolarHBondContact NH2-OD2 2.89Å; R345-A382 VanDerWaalsContact C-CB 3.48Å
346	A	87.7	Confident	80.7	Confident	66 Å²	66	57.4 Å²	57.4	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-51.6	-35.5	174.2	0	0	0	0	0	112.6	S348 F349 A350 A382	A346-S348 VanDerWaalsContact C-N 3.27Å; A346-S348 PolarHBondContact O-N 2.93Å; A346-F349 PolarHBondContact O-N 2.87Å; A346-A350 WeakPolarHBondContact O-CB 3.26Å; A346-A350 PolarHBondContact O-N 3.39Å; A346-A382 HydrophobicContact CB-CB 4.39Å
347	Q	84	Confident	79.7	Confident	134 Å²	134	55.3 Å²	55.3	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-65.3	-20.4	174.7	-67.2	169.9	-16.6	0	0	114.6	V323 R345 F349	V323-Q347 HydrophobicContact CG1-CB 4.38Å; R345-Q347 PolarHBondContact O-N 3.44Å; R345-Q347 VanDerWaalsContact O-N 3.07Å; Q347-F349 VanDerWaalsContact C-N 3.29Å
348	S	87.3	Confident	79.2	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-30	172.8	-65.4	0	0	0	0	112.7	V323 V324 R345 A346 L360	V323-S348 WeakPolarHBondContact CG1-OG 3.46Å; V324-S348 WeakPolarHBondContact O-CA 3.38Å; V324-S348 WeakPolarHBondContact O-CB 3.08Å; V324-S348 PolarHBondContact O-OG 3.08Å; R345-S348 PolarHBondContact N-OG 3.37Å; R345-S348 WeakPolarHBondContact O-CA 3.35Å; R345-S348 WeakPolarHBondContact O-CB 3.34Å; R345-S348 PolarHBondContact O-N 2.79Å; R345-S348 PolarHBondContact O-OG 3.07Å; A346-S348 VanDerWaalsContact C-N 3.27Å; A346-S348 PolarHBondContact O-N 2.93Å; S348-L360 WeakPolarHBondContact O-CB 3.47Å; S348-L360 WeakPolarHBondContact O-CG 3.29Å; S348-L360 PolarHBondContact O-N 3.37Å
349	F	87.6	Confident	79.1	Confident	46 Å²	46	57.5 Å²	57.5	20%	0.202	32%	0.324	C	S	.	.	H	α-helix	trans	-116.8	-19.5	-169	-56.7	-71.4	0	0	0	113.2	F344 R345 A346 Q347 G359 L360 L365 A382 W383 P384	F344-F349 HydrophobicContact CB-CE2 4.43Å; F344-F349 HydrophobicContact CD1-CZ 4.28Å; R345-F349 WeakPolarHBondContact O-CD2 3.32Å; A346-F349 PolarHBondContact O-N 2.87Å; Q347-F349 VanDerWaalsContact C-N 3.29Å; F349-G359 WeakPolarHBondContact O-CA 3.3Å; F349-L360 HydrophobicContact CD1-CB 4.01Å; F349-L360 HydrophobicContact CE1-CB 3.93Å; F349-L365 HydrophobicContact CE1-CD1 3.97Å; F349-L365 HydrophobicContact CZ-CD1 4.43Å; F349-A382 HydrophobicContact CD2-CB 4.21Å; F349-A382 HydrophobicContact CE2-CB 4.5Å; F349-A382 WeakPolarHBondContact CE2-O 3.48Å; F349-W383 HydrophobicContact CE2-CE3 4.36Å; F349-W383 AromaticContact CZ-CE3 3.86Å; F349-W383 HydrophobicContact CZ-CE3 3.86Å; F349-W383 HydrophobicContact CZ-CZ3 4.18Å; F349-P384 HydrophobicContact CD1-CG 3.76Å; F349-P384 HydrophobicContact CE1-CG 3.64Å; F349-P384 HydrophobicContact CG-CG 4.48Å; F349-P384 HydrophobicContact CZ-CG 4.29Å
350	A	81.4	Confident	79.4	Confident	57 Å²	57	56.8 Å²	56.8	47%	0.471	32%	0.321	S	S	.	.	S	Bend	trans	-65.3	153.8	165.2	0	0	0	0	0	111.4	A346 G359	A346-A350 WeakPolarHBondContact O-CB 3.26Å; A346-A350 PolarHBondContact O-N 3.39Å; A350-G359 WeakPolarHBondContact O-CA 3.35Å
351	R	73.8	Confident	79.7	Confident	174 Å²	174	59.8 Å²	59.8	66%	0.657	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-76.4	129.6	164.5	-178.2	-174.7	-176.3	171.4	-0.1	108.4	P353 N356 S357	R351-P353 WeakPolarHBondContact O-CD 3.32Å; R351-N356 PolarHBondContact NE-OD1 2.92Å; R351-N356 PolarHBondContact NH2-OD1 3.22Å; R351-S357 WeakPolarHBondContact CA-O 3.27Å; R351-S357 VanDerWaalsContact CG-O 3.27Å; R351-S357 WeakPolarHBondContact CG-O 3.29Å
352	D	69.9	Low	79.3	Confident	52 Å²	52	63.3 Å²	63.3	28%	0.278	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-79.3	119.6	174.6	174.2	19.9	0	0	0	110.1	V354 T355 N356 S357	D352-V354 VanDerWaalsContact C-N 3.26Å; D352-V354 PolarHBondContact O-N 2.67Å; D352-V354 WeakPolarHBondContact OD1-CB 3.47Å; D352-V354 PolarHBondContact OD1-N 2.64Å; D352-T355 VanDerWaalsContact OD2-CB 3.23Å; D352-T355 WeakPolarHBondContact OD2-CB 2.92Å; D352-T355 VanDerWaalsContact OD2-CG2 3.25Å; D352-T355 WeakPolarHBondContact OD2-CG2 3.33Å; D352-T355 PolarHBondContact OD2-N 3.1Å; D352-T355 PolarHBondContact OD2-OG1 2.83Å; D352-N356 CarbonylContact O-C 3.5Å; D352-N356 WeakPolarHBondContact O-CA 3.42Å; D352-N356 PolarHBondContact O-N 3.26Å; D352-S357 PolarHBondContact N-O 3.21Å
353	P	64.3	Low	79	Confident	120 Å²	120	69 Å²	69	78%	0.779	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.1	176.2	30.5	-36.1	0	0	0	113.6	R351	R351-P353 WeakPolarHBondContact O-CD 3.32Å
354	V	63.2	Low	78.9	Confident	132 Å²	132	71.4 Å²	71.4	80%	0.8	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-53	-176.6	-175	0	0	0	0	111.4	D352 N356	D352-V354 VanDerWaalsContact C-N 3.26Å; D352-V354 PolarHBondContact O-N 2.67Å; D352-V354 WeakPolarHBondContact OD1-CB 3.47Å; D352-V354 PolarHBondContact OD1-N 2.64Å; V354-N356 VanDerWaalsContact C-N 3.31Å
355	T	64.2	Low	78.7	Confident	88 Å²	88	71.4 Å²	71.4	54%	0.54	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.5	175	62.5	0	0	0	0	113.8	D352 S357	D352-T355 VanDerWaalsContact OD2-CB 3.23Å; D352-T355 WeakPolarHBondContact OD2-CB 2.92Å; D352-T355 VanDerWaalsContact OD2-CG2 3.25Å; D352-T355 WeakPolarHBondContact OD2-CG2 3.33Å; D352-T355 PolarHBondContact OD2-N 3.1Å; D352-T355 PolarHBondContact OD2-OG1 2.83Å; T355-S357 PolarHBondContact O-N 2.83Å; T355-S357 VanDerWaalsContact O-N 3.11Å; T355-S357 WeakPolarHBondContact OG1-CB 3.48Å; T355-S357 PolarHBondContact OG1-N 3.1Å; T355-S357 PolarHBondContact OG1-OG 2.04Å
356	N	64.1	Low	78.5	Confident	106 Å²	106	71.1 Å²	71.1	57%	0.567	40%	0.396	S	S	*	.			trans	57.8	15.1	-171.3	-167.9	26.1	0	0	0	113.9	R351 D352 V354	R351-N356 PolarHBondContact NE-OD1 2.92Å; R351-N356 PolarHBondContact NH2-OD1 3.22Å; D352-N356 CarbonylContact O-C 3.5Å; D352-N356 WeakPolarHBondContact O-CA 3.42Å; D352-N356 PolarHBondContact O-N 3.26Å; V354-N356 VanDerWaalsContact C-N 3.31Å
357	S	65.4	Low	78.4	Confident	28 Å²	28	68.8 Å²	68.8	20%	0.196	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-76.3	142.2	-177.7	61.4	0	0	0	0	112	R351 D352 T355	R351-S357 WeakPolarHBondContact CA-O 3.27Å; R351-S357 VanDerWaalsContact CG-O 3.27Å; R351-S357 WeakPolarHBondContact CG-O 3.29Å; D352-S357 PolarHBondContact N-O 3.21Å; T355-S357 PolarHBondContact O-N 2.83Å; T355-S357 VanDerWaalsContact O-N 3.11Å; T355-S357 WeakPolarHBondContact OG1-CB 3.48Å; T355-S357 PolarHBondContact OG1-N 3.1Å; T355-S357 PolarHBondContact OG1-OG 2.04Å
358	S	76.8	Confident	78.7	Confident	69 Å²	69	62.5 Å²	62.5	48%	0.483	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.4	158.1	173.8	61.1	0	0	0	0	111.1	S326	S326-S358 WeakPolarHBondContact CB-O 3.44Å; S326-S358 PolarHBondContact OG-O 2.79Å
359	G	82.7	Confident	78.8	Confident	15 Å²	15	67.7 Å²	67.7	16%	0.155	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-59.6	164.4	167	0	0	0	0	0	112.7	F349 A350 T361	F349-G359 WeakPolarHBondContact O-CA 3.3Å; A350-G359 WeakPolarHBondContact O-CA 3.35Å; G359-T361 PolarHBondContact O-N 3.25Å
360	L	86.2	Confident	78.9	Confident	14 Å²	14	72.3 Å²	72.3	7%	0.073	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-61.3	131.7	178.1	-85.3	170.8	0	0	0	112.9	V324 V329 F344 S348 F349 Q364 L365	V324-L360 HydrophobicContact CB-CD1 4.37Å; V324-L360 HydrophobicContact CG1-CD1 4Å; V324-L360 WeakPolarHBondContact O-CD1 3.47Å; V329-L360 HydrophobicContact CB-CD2 3.76Å; V329-L360 HydrophobicContact CG1-CD2 3.63Å; V329-L360 HydrophobicContact CG2-CD2 3.99Å; F344-L360 HydrophobicContact CD1-CD1 4.42Å; F344-L360 HydrophobicContact CE1-CD1 4.26Å; S348-L360 WeakPolarHBondContact O-CB 3.47Å; S348-L360 WeakPolarHBondContact O-CG 3.29Å; S348-L360 PolarHBondContact O-N 3.37Å; F349-L360 HydrophobicContact CD1-CB 4.01Å; F349-L360 HydrophobicContact CE1-CB 3.93Å; L360-Q364 HydrophobicContact CD2-CB 3.95Å; L360-L365 HydrophobicContact CB-CG 4.49Å; L360-L365 HydrophobicContact CD1-CD2 4.12Å
361	T	85.4	Confident	79.4	Confident	64 Å²	64	69.6 Å²	69.6	39%	0.393	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-99.3	162.5	178.5	62.3	0	0	0	0	112.3	G359 E363 Q364 L365	G359-T361 PolarHBondContact O-N 3.25Å; T361-E363 VanDerWaalsContact C-N 3.34Å; T361-E363 PolarHBondContact O-N 3.38Å; T361-Q364 PolarHBondContact O-N 2.86Å; T361-Q364 WeakPolarHBondContact OG1-CG 3.26Å; T361-Q364 PolarHBondContact OG1-N 3.07Å; T361-Q364 PolarHBondContact OG1-OE1 3.09Å; T361-L365 PolarHBondContact O-N 2.9Å
362	L	80.1	Confident	80.4	Confident	81 Å²	81	65.1 Å²	65.1	42%	0.424	35%	0.35	S	S	.	.	H	α-helix	trans	-55.1	-45.8	175.9	175.4	58.8	0	0	0	112.7	Q364 L365 K366 W387	L362-Q364 VanDerWaalsContact C-N 3.33Å; L362-Q364 PolarHBondContact O-N 3.09Å; L362-L365 PolarHBondContact O-N 2.97Å; L362-K366 WeakPolarHBondContact O-CG 3.45Å; L362-K366 PolarHBondContact O-N 3.19Å; L362-K366 VanDerWaalsContact O-N 3.08Å; L362-W387 HydrophobicContact CB-CH2 4.23Å; L362-W387 HydrophobicContact CB-CZ2 3.69Å; L362-W387 HydrophobicContact CD1-CH2 3.44Å; L362-W387 VanDerWaalsContact CD1-CH2 3.44Å; L362-W387 HydrophobicContact CD1-CZ2 3.51Å; L362-W387 HydrophobicContact CD1-CZ3 4.15Å; L362-W387 HydrophobicContact CG-CH2 4.43Å; L362-W387 HydrophobicContact CG-CZ2 4.16Å
363	E	83.4	Confident	81.3	Confident	121 Å²	121	63.8 Å²	63.8	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-64.7	-36.9	-179.4	-59.6	-51.4	132	0	0	112.3	T361 K366	T361-E363 VanDerWaalsContact C-N 3.34Å; T361-E363 PolarHBondContact O-N 3.38Å; E363-K366 WeakPolarHBondContact OE1-CE 3.32Å; E363-K366 IonicContact OE1-NZ 2.84Å; E363-K366 PolarHBondContact OE1-NZ 2.93Å; E363-K366 WeakPolarHBondContact OE2-CD 3.32Å; E363-K366 WeakPolarHBondContact OE2-CE 3.38Å; E363-K366 IonicContact OE2-NZ 2.74Å; E363-K366 PolarHBondContact OE2-NZ 3.03Å
364	Q	87.4	Confident	82.6	Confident	51 Å²	51	58.1 Å²	58.1	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-44.5	173.7	-78.9	166.9	-45.9	0	0	111.9	S326 V329 L360 T361 L362 K366 S367	S326-Q364 PolarHBondContact O-NE2 3.11Å; V329-Q364 HydrophobicContact CG1-CB 3.8Å; V329-Q364 HydrophobicContact CG1-CG 3.91Å; V329-Q364 HydrophobicContact CG2-CB 4.34Å; V329-Q364 WeakPolarHBondContact CG2-O 3.43Å; L360-Q364 HydrophobicContact CD2-CB 3.95Å; T361-Q364 PolarHBondContact O-N 2.86Å; T361-Q364 WeakPolarHBondContact OG1-CG 3.26Å; T361-Q364 PolarHBondContact OG1-N 3.07Å; T361-Q364 PolarHBondContact OG1-OE1 3.09Å; L362-Q364 VanDerWaalsContact C-N 3.33Å; L362-Q364 PolarHBondContact O-N 3.09Å; Q364-K366 VanDerWaalsContact C-N 3.3Å; Q364-K366 PolarHBondContact O-N 3.44Å; Q364-S367 WeakPolarHBondContact O-CB 3.24Å; Q364-S367 PolarHBondContact O-N 3.2Å; Q364-S367 PolarHBondContact O-OG 2.83Å
365	L	87.1	Confident	83.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-26.9	179.9	-78.1	177.4	0	0	0	113.4	F344 F349 L360 T361 L362 S367 F368 W383 W387 V392	F344-L365 HydrophobicContact CD1-CD2 4.43Å; F344-L365 HydrophobicContact CE1-CD2 3.62Å; F344-L365 HydrophobicContact CZ-CD2 4.29Å; F349-L365 HydrophobicContact CE1-CD1 3.97Å; F349-L365 HydrophobicContact CZ-CD1 4.43Å; L360-L365 HydrophobicContact CB-CG 4.49Å; L360-L365 HydrophobicContact CD1-CD2 4.12Å; T361-L365 PolarHBondContact O-N 2.9Å; L362-L365 PolarHBondContact O-N 2.97Å; L365-S367 PolarHBondContact O-N 3.32Å; L365-F368 HydrophobicContact CD2-CD2 4.12Å; L365-F368 HydrophobicContact CD2-CE2 3.97Å; L365-F368 WeakPolarHBondContact O-CD2 3.38Å; L365-F368 PolarHBondContact O-N 2.82Å; L365-F368 VanDerWaalsContact O-N 3.09Å; L365-W383 HydrophobicContact CD1-CH2 4.18Å; L365-W387 HydrophobicContact CB-CH2 3.91Å; L365-W387 HydrophobicContact CB-CZ3 4.45Å; L365-W387 HydrophobicContact CD1-CH2 3.33Å; L365-W387 HydrophobicContact CD1-CZ2 4.13Å; L365-W387 HydrophobicContact CD1-CZ3 3.75Å; L365-W387 HydrophobicContact CG-CH2 4.23Å; L365-V392 HydrophobicContact CB-CG1 4.38Å; L365-V392 HydrophobicContact CB-CG2 4.26Å; L365-V392 WeakPolarHBondContact O-CG1 3.44Å
366	K	86	Confident	84.7	Confident	75 Å²	75	47.7 Å²	47.7	33%	0.326	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.1	-19.2	172.1	-71.9	177.4	-164.7	170.7	0	113.7	L362 E363 Q364 F368 R369	L362-K366 WeakPolarHBondContact O-CG 3.45Å; L362-K366 PolarHBondContact O-N 3.19Å; L362-K366 VanDerWaalsContact O-N 3.08Å; E363-K366 WeakPolarHBondContact OE1-CE 3.32Å; E363-K366 IonicContact OE1-NZ 2.84Å; E363-K366 PolarHBondContact OE1-NZ 2.93Å; E363-K366 WeakPolarHBondContact OE2-CD 3.32Å; E363-K366 WeakPolarHBondContact OE2-CE 3.38Å; E363-K366 IonicContact OE2-NZ 2.74Å; E363-K366 PolarHBondContact OE2-NZ 3.03Å; Q364-K366 VanDerWaalsContact C-N 3.3Å; Q364-K366 PolarHBondContact O-N 3.44Å; K366-F368 PolarHBondContact O-N 2.74Å; K366-F368 VanDerWaalsContact O-N 3.17Å; K366-R369 WeakPolarHBondContact O-CB 3.13Å; K366-R369 PolarHBondContact O-N 2.99Å
367	S	85.4	Confident	85.9	Confident	17 Å²	17	43.8 Å²	43.8	12%	0.119	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-47.4	-39.5	171.2	-58.3	0	0	0	0	112.9	T333 Q364 L365 R369	T333-S367 VanDerWaalsContact CG2-OG 3.28Å; T333-S367 WeakPolarHBondContact CG2-OG 3.19Å; Q364-S367 WeakPolarHBondContact O-CB 3.24Å; Q364-S367 PolarHBondContact O-N 3.2Å; Q364-S367 PolarHBondContact O-OG 2.83Å; L365-S367 PolarHBondContact O-N 3.32Å; S367-R369 VanDerWaalsContact C-N 3.31Å; S367-R369 PolarHBondContact O-N 3.49Å
368	F	90.6	Very high	87.2	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-79.5	-4.6	-177	-59.3	-72.1	0	0	0	114.6	V324 V329 F332 I338 L342 F344 L365 K366 K370 L371 V392 F393	V324-F368 HydrophobicContact CG1-CE2 4.13Å; V324-F368 HydrophobicContact CG1-CZ 3.87Å; V324-F368 HydrophobicContact CG2-CZ 4.46Å; V329-F368 HydrophobicContact CG2-CE2 3.87Å; V329-F368 HydrophobicContact CG2-CZ 4.25Å; F332-F368 HydrophobicContact CB-CD1 4Å; F332-F368 HydrophobicContact CB-CE1 3.48Å; F332-F368 VanDerWaalsContact CB-CE1 3.48Å; F332-F368 HydrophobicContact CB-CZ 4.07Å; F332-F368 HydrophobicContact CD1-CE1 4.25Å; F332-F368 AromaticContact CD2-CE1 3.56Å; F332-F368 HydrophobicContact CD2-CE1 3.56Å; F332-F368 AromaticContact CD2-CZ 3.5Å; F332-F368 HydrophobicContact CD2-CZ 3.5Å; F332-F368 VanDerWaalsContact CD2-CZ 3.5Å; F332-F368 HydrophobicContact CE2-CE1 4.38Å; F332-F368 HydrophobicContact CE2-CZ 4.21Å; F332-F368 HydrophobicContact CG-CD1 4.42Å; F332-F368 AromaticContact CG-CE1 3.48Å; F332-F368 HydrophobicContact CG-CE1 3.48Å; F332-F368 VanDerWaalsContact CG-CE1 3.48Å; F332-F368 AromaticContact CG-CZ 3.94Å; F332-F368 HydrophobicContact CG-CZ 3.94Å; I338-F368 HydrophobicContact CD1-CD1 4.41Å; I338-F368 HydrophobicContact CD1-CE1 4.22Å; L342-F368 HydrophobicContact CD1-CD1 4.03Å; L342-F368 HydrophobicContact CD1-CE1 3.8Å; L342-F368 HydrophobicContact CD1-CZ 4.47Å; L342-F368 HydrophobicContact CD2-CE1 3.89Å; L342-F368 HydrophobicContact CD2-CZ 4.23Å; F344-F368 HydrophobicContact CE1-CE2 4.18Å; F344-F368 HydrophobicContact CZ-CD2 4.32Å; F344-F368 AromaticContact CZ-CE2 3.73Å; F344-F368 HydrophobicContact CZ-CE2 3.73Å; F344-F368 HydrophobicContact CZ-CZ 4.04Å; L365-F368 HydrophobicContact CD2-CD2 4.12Å; L365-F368 HydrophobicContact CD2-CE2 3.97Å; L365-F368 WeakPolarHBondContact O-CD2 3.38Å; L365-F368 PolarHBondContact O-N 2.82Å; L365-F368 VanDerWaalsContact O-N 3.09Å; K366-F368 PolarHBondContact O-N 2.74Å; K366-F368 VanDerWaalsContact O-N 3.17Å; F368-K370 PolarHBondContact O-N 3.43Å; F368-L371 HydrophobicContact CD1-CD2 4.25Å; F368-L371 WeakPolarHBondContact O-CB 3.49Å; F368-L371 PolarHBondContact O-N 3.14Å; F368-V392 CarbonylContact C-O 3.53Å; F368-V392 HydrophobicContact CB-CG1 3.79Å; F368-V392 HydrophobicContact CD2-CG1 4.31Å; F368-F393 HydrophobicContact CB-CD1 3.89Å; F368-F393 HydrophobicContact CB-CE1 3.53Å; F368-F393 HydrophobicContact CB-CZ 4.35Å; F368-F393 HydrophobicContact CD1-CE1 4.09Å; F368-F393 HydrophobicContact CD2-CE1 4.14Å; F368-F393 HydrophobicContact CD2-CZ 4.28Å; F368-F393 HydrophobicContact CG-CD1 4.5Å; F368-F393 AromaticContact CG-CE1 3.67Å; F368-F393 HydrophobicContact CG-CE1 3.67Å; F368-F393 HydrophobicContact CG-CZ 4.27Å
369	R	90.3	Very high	87.9	Confident	109 Å²	109	39.4 Å²	39.4	41%	0.411	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-62.8	-16.3	178.6	-75.9	-172.1	-180	-134.4	11.9	114.4	K366 S367 V392 E394 N395	K366-R369 WeakPolarHBondContact O-CB 3.13Å; K366-R369 PolarHBondContact O-N 2.99Å; S367-R369 VanDerWaalsContact C-N 3.31Å; S367-R369 PolarHBondContact O-N 3.49Å; R369-V392 WeakPolarHBondContact CA-O 3.45Å; R369-V392 PolarHBondContact N-O 2.78Å; R369-E394 IonicContact CZ-OE1 2.86Å; R369-E394 IonicContact NE-OE1 3.58Å; R369-E394 IonicContact NH1-OE1 2.69Å; R369-E394 PolarHBondContact NH1-OE1 3Å; R369-N395 PolarHBondContact O-ND2 2.04Å
370	K	89.5	Confident	88.5	Confident	143 Å²	143	38.7 Å²	38.7	62%	0.622	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-92	-5.3	175.1	-67.4	-175.5	176.9	-179.1	0	113.7	C335 S336 F368	C335-K370 CarbonylContact O-C 3.5Å; S336-K370 WeakPolarHBondContact CA-O 3.35Å; F368-K370 PolarHBondContact O-N 3.43Å
371	L	92.4	Very high	88.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.184	C	C	.	.			trans	-74.4	124.9	-176.5	-174.2	63.6	0	0	0	110.6	I338 L342 F368 E373 I374 F393 N395 L396	I338-L371 HydrophobicContact CB-CD1 4.12Å; I338-L371 HydrophobicContact CD1-CD1 3.66Å; I338-L371 HydrophobicContact CD1-CD2 3.83Å; I338-L371 HydrophobicContact CD1-CG 4.41Å; I338-L371 HydrophobicContact CG1-CD1 3.6Å; L342-L371 HydrophobicContact CD1-CD2 3.9Å; F368-L371 HydrophobicContact CD1-CD2 4.25Å; F368-L371 WeakPolarHBondContact O-CB 3.49Å; F368-L371 PolarHBondContact O-N 3.14Å; L371-E373 WeakPolarHBondContact CD1-O 3.49Å; L371-I374 HydrophobicContact CD2-CD1 3.92Å; L371-I374 HydrophobicContact CD2-CG1 3.8Å; L371-I374 HydrophobicContact CG-CG1 4.35Å; L371-F393 HydrophobicContact CD2-CD1 4.19Å; L371-F393 HydrophobicContact CD2-CE1 4.29Å; L371-N395 CarbonylContact O-C 3.5Å; L371-L396 HydrophobicContact CG-CD1 4.3Å; L371-L396 WeakPolarHBondContact O-CA 3.42Å; L371-L396 PolarHBondContact O-N 3.27Å
372	E	93.1	Very high	89	Confident	79 Å²	79	37.2 Å²	37.2	37%	0.369	17%	0.173	S	C	.	.			trans	-114	-30.4	179.2	-52.7	-158.4	147.5	0	0	112.9	S336 N395 K397 V398	S336-E372 WeakPolarHBondContact O-CA 3.35Å; S336-E372 PolarHBondContact O-N 3.44Å; E372-N395 WeakPolarHBondContact CA-O 3.49Å; E372-K397 HydrophobicContact CB-CD 4.21Å; E372-K397 VanDerWaalsContact CD-CE 3.48Å; E372-K397 WeakPolarHBondContact O-CA 3.06Å; E372-K397 WeakPolarHBondContact O-CB 3.35Å; E372-K397 PolarHBondContact O-N 3.11Å; E372-K397 WeakPolarHBondContact OE1-CE 3.36Å; E372-K397 IonicContact OE1-NZ 3.13Å; E372-K397 PolarHBondContact OE1-NZ 2.86Å; E372-K397 WeakPolarHBondContact OE2-CE 3.22Å; E372-K397 IonicContact OE2-NZ 2.77Å; E372-K397 PolarHBondContact OE2-NZ 3.09Å; E372-V398 PolarHBondContact O-N 2.73Å; E372-V398 VanDerWaalsContact O-N 3.14Å
373	E	90.6	Very high	89.6	Confident	25 Å²	25	34.5 Å²	34.5	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.7	179.4	-176.3	170.8	140.8	0	0	113.2	S336 K337 I338 L371 V398 R400	S336-E373 PolarHBondContact O-N 2.84Å; S336-E373 VanDerWaalsContact O-N 3.1Å; K337-E373 CarbonylContact C-O 3.47Å; K337-E373 VanDerWaalsContact CA-O 3.31Å; K337-E373 WeakPolarHBondContact CA-O 3.46Å; K337-E373 HydrophobicContact CB-CB 4.27Å; K337-E373 HydrophobicContact CD-CB 4.23Å; K337-E373 HydrophobicContact CD-CG 4.14Å; K337-E373 WeakPolarHBondContact CE-OE1 3.45Å; K337-E373 HydrophobicContact CG-CB 4.04Å; K337-E373 HydrophobicContact CG-CG 4.24Å; K337-E373 IonicContact NZ-OE1 2.62Å; K337-E373 PolarHBondContact NZ-OE1 3.19Å; I338-E373 PolarHBondContact N-O 2.03Å; L371-E373 WeakPolarHBondContact CD1-O 3.49Å; E373-V398 WeakPolarHBondContact CA-O 3.01Å; E373-V398 HydrophobicContact CG-CB 4.22Å; E373-R400 HydrophobicContact CG-CG 4.26Å; E373-R400 WeakPolarHBondContact OE1-CG 3.23Å; E373-R400 IonicContact OE1-CZ 3.71Å; E373-R400 IonicContact OE1-NE 2.65Å; E373-R400 PolarHBondContact OE1-NE 2.96Å; E373-R400 IonicContact OE1-NH2 2.72Å; E373-R400 IonicContact OE2-CZ 2.68Å; E373-R400 IonicContact OE2-NE 3.49Å; E373-R400 PolarHBondContact OE2-NE 3.29Å; E373-R400 IonicContact OE2-NH2 3.81Å; E373-R400 PolarHBondContact OE2-NH2 3.01Å
374	I	90.1	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.6	168	-64.1	170.6	0	0	0	108.2	G340 L342 L371 L378 L396 V398 R400	G340-I374 WeakPolarHBondContact O-CG2 3.36Å; L342-I374 HydrophobicContact CD1-CD1 4.08Å; L371-I374 HydrophobicContact CD2-CD1 3.92Å; L371-I374 HydrophobicContact CD2-CG1 3.8Å; L371-I374 HydrophobicContact CG-CG1 4.35Å; I374-L378 HydrophobicContact CD1-CB 4.15Å; I374-L378 HydrophobicContact CD1-CD2 4.49Å; I374-L396 HydrophobicContact CD1-CD1 3.92Å; I374-L396 HydrophobicContact CD1-CD2 3.92Å; I374-L396 HydrophobicContact CG1-CD1 3.83Å; I374-V398 PolarHBondContact N-O 3.42Å; I374-R400 PolarHBondContact O-N 2.83Å
375	A	85.6	Confident	89.4	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.16	C	C	.	.	S	Bend	trans	-77.9	-30.4	-179.8	0	0	0	0	0	113.5	I338 R400 G401 R402	I338-A375 WeakPolarHBondContact O-CB 3.44Å; I338-A375 PolarHBondContact O-N 3.29Å; A375-R400 WeakPolarHBondContact O-CB 3.03Å; A375-G401 PolarHBondContact O-N 2.82Å; A375-R402 WeakPolarHBondContact O-CB 3.45Å; A375-R402 PolarHBondContact O-N 2.73Å
376	G	86.2	Confident	89.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-98.2	-130.7	174.8	0	0	0	0	0	112.5	G340 S341 I399 G401 M403	G340-G376 VanDerWaalsContact O-CA 3.31Å; G340-G376 WeakPolarHBondContact O-CA 3.31Å; G340-G376 PolarHBondContact O-N 2.87Å; S341-G376 WeakPolarHBondContact OG-CA 3.38Å; G376-I399 WeakPolarHBondContact O-CG2 3.37Å; G376-G401 WeakPolarHBondContact O-CA 3.4Å; G376-G401 PolarHBondContact O-N 2.83Å; G376-G401 VanDerWaalsContact O-N 3.09Å; G376-M403 CarbonylContact C-O 3.2Å; G376-M403 VanDerWaalsContact C-O 3.23Å; G376-M403 WeakPolarHBondContact CA-O 3.3Å
377	Y	88.9	Confident	89	Confident	24 Å²	24	37.8 Å²	37.8	9%	0.094	19%	0.189	C	C	.	.			trans	-109.9	163.4	-177.4	65.2	-100.5	0	0	0	113.8	S341 L342 A343 M403 L404 Y405 F409 S410	S341-Y377 CarbonylContact C-O 3.6Å; S341-Y377 VanDerWaalsContact CA-O 3.32Å; S341-Y377 WeakPolarHBondContact CA-O 3.46Å; S341-Y377 VanDerWaalsContact CB-CD1 3.49Å; S341-Y377 VanDerWaalsContact CB-CE1 3.45Å; S341-Y377 WeakPolarHBondContact CB-O 3.19Å; S341-Y377 WeakPolarHBondContact OG-CD1 3.42Å; S341-Y377 WeakPolarHBondContact OG-CE1 3.38Å; S341-Y377 PolarHBondContact OG-N 3.5Å; S341-Y377 VanDerWaalsContact OG-N 3.07Å; L342-Y377 PolarHBondContact N-O 2.85Å; A343-Y377 HydrophobicContact CB-CE2 4.44Å; Y377-M403 PolarHBondContact N-O 3.02Å; Y377-L404 VanDerWaalsContact CD1-C 3.44Å; Y377-Y405 HydrophobicContact CD2-CD2 4.4Å; Y377-Y405 AromaticContact CE2-CD2 3.76Å; Y377-Y405 HydrophobicContact CE2-CD2 3.76Å; Y377-Y405 HydrophobicContact CE2-CG 4.36Å; Y377-Y405 AromaticContact CZ-CD2 3.86Å; Y377-F409 WeakPolarHBondContact CB-O 2.45Å; Y377-S410 CarbonylContact C-O 3.5Å; Y377-S410 WeakPolarHBondContact CA-O 3.31Å; Y377-S410 WeakPolarHBondContact CB-O 3.27Å
378	L	93.1	Very high	89.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.5	164.6	177.1	60.1	0	0	0	109.7	L342 F344 I374 I380 F393 L396 I399 S410 L411 A412	L342-L378 HydrophobicContact CB-CD1 3.84Å; L342-L378 HydrophobicContact CD1-CD1 4.46Å; F344-L378 HydrophobicContact CD2-CD1 4.31Å; F344-L378 HydrophobicContact CE2-CD1 4.15Å; I374-L378 HydrophobicContact CD1-CB 4.15Å; I374-L378 HydrophobicContact CD1-CD2 4.49Å; L378-I380 HydrophobicContact CD1-CD1 4.36Å; L378-I380 HydrophobicContact CD1-CG1 4.27Å; L378-I380 HydrophobicContact CG-CD1 4.45Å; L378-I380 HydrophobicContact CG-CG1 4.44Å; L378-F393 HydrophobicContact CD1-CZ 4.38Å; L378-L396 HydrophobicContact CD2-CD2 4.1Å; L378-I399 HydrophobicContact CB-CD1 4.21Å; L378-I399 HydrophobicContact CD2-CD1 4.5Å; L378-S410 PolarHBondContact N-O 3.15Å; L378-L411 HydrophobicContact CB-CD1 3.97Å; L378-L411 HydrophobicContact CD2-CD1 3.92Å; L378-L411 HydrophobicContact CG-CD1 4.04Å; L378-L411 WeakPolarHBondContact O-CA 3Å; L378-A412 PolarHBondContact O-N 2.73Å
379	Y	92.8	Very high	89.3	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.6	-179.3	176.4	-88.2	0	0	0	110.9	L342 A343 F344 R345 D381 Y405 A412 Q414	L342-Y379 PolarHBondContact O-N 3.28Å; A343-Y379 CarbonylContact C-O 3.53Å; A343-Y379 WeakPolarHBondContact CA-O 3.19Å; A343-Y379 HydrophobicContact CB-CD1 4.36Å; F344-Y379 PolarHBondContact N-O 2.82Å; R345-Y379 HydrophobicContact CG-CE1 4.16Å; Y379-D381 HydrophobicContact CE1-CB 3.75Å; Y379-D381 VanDerWaalsContact CE1-OD2 3.24Å; Y379-D381 WeakPolarHBondContact CE1-OD2 3.29Å; Y379-D381 WeakPolarHBondContact OH-CB 3.4Å; Y379-D381 PolarHBondContact OH-OD2 2.76Å; Y379-Y405 HydrophobicContact CD1-CD2 4.37Å; Y379-Y405 AromaticContact CD1-CE2 4Å; Y379-Y405 HydrophobicContact CD1-CE2 4Å; Y379-Y405 AromaticContact CD2-CD1 3.48Å; Y379-Y405 HydrophobicContact CD2-CD1 3.48Å; Y379-Y405 VanDerWaalsContact CD2-CD1 3.48Å; Y379-Y405 AromaticContact CD2-CD2 3.58Å; Y379-Y405 HydrophobicContact CD2-CD2 3.58Å; Y379-Y405 AromaticContact CD2-CE1 3.53Å; Y379-Y405 HydrophobicContact CD2-CE1 3.53Å; Y379-Y405 AromaticContact CD2-CE2 3.62Å; Y379-Y405 HydrophobicContact CD2-CE2 3.62Å; Y379-Y405 AromaticContact CD2-CG 3.51Å; Y379-Y405 HydrophobicContact CD2-CG 3.51Å; Y379-Y405 AromaticContact CD2-CZ 3.6Å; Y379-Y405 HydrophobicContact CE1-CE2 4.1Å; Y379-Y405 AromaticContact CE2-CD1 3.64Å; Y379-Y405 HydrophobicContact CE2-CD1 3.64Å; Y379-Y405 HydrophobicContact CE2-CD2 4.17Å; Y379-Y405 AromaticContact CE2-CE1 3.19Å; Y379-Y405 HydrophobicContact CE2-CE1 3.19Å; Y379-Y405 AromaticContact CE2-CE2 3.76Å; Y379-Y405 HydrophobicContact CE2-CE2 3.76Å; Y379-Y405 HydrophobicContact CE2-CG 4.11Å; Y379-Y405 AromaticContact CE2-CZ 3.26Å; Y379-Y405 HydrophobicContact CG-CD1 4.43Å; Y379-Y405 AromaticContact CG-CD2 3.72Å; Y379-Y405 HydrophobicContact CG-CD2 3.72Å; Y379-Y405 HydrophobicContact CG-CE1 4.48Å; Y379-Y405 AromaticContact CG-CE2 3.76Å; Y379-Y405 HydrophobicContact CG-CE2 3.76Å; Y379-Y405 HydrophobicContact CG-CG 4.07Å; Y379-Y405 AromaticContact CZ-CE1 3.9Å; Y379-Y405 AromaticContact CZ-CE2 3.99Å; Y379-Y405 AromaticContact CZ-CZ 3.5Å; Y379-Y405 PolarHBondContact OH-OH 2.42Å; Y379-A412 CarbonylContact C-O 3.25Å; Y379-A412 WeakPolarHBondContact CA-O 3.03Å; Y379-A412 HydrophobicContact CD2-CB 3.71Å; Y379-A412 HydrophobicContact CE2-CB 4.3Å; Y379-Q414 PolarHBondContact OH-NE2 3.33Å
380	I	94.1	Very high	89.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	109.4	179.8	-48.8	-178.2	0	0	0	109.1	F344 L378 A382 W383 L390 A412 Q414 L416	F344-I380 HydrophobicContact CB-CG1 4.36Å; F344-I380 HydrophobicContact CB-CG2 4.13Å; F344-I380 HydrophobicContact CD2-CG1 4.15Å; F344-I380 WeakPolarHBondContact O-CA 3.32Å; L378-I380 HydrophobicContact CD1-CD1 4.36Å; L378-I380 HydrophobicContact CD1-CG1 4.27Å; L378-I380 HydrophobicContact CG-CD1 4.45Å; L378-I380 HydrophobicContact CG-CG1 4.44Å; I380-A382 VanDerWaalsContact CG2-O 3.24Å; I380-A382 WeakPolarHBondContact CG2-O 3.49Å; I380-W383 HydrophobicContact CG2-CE3 4.02Å; I380-L390 HydrophobicContact CD1-CD1 3.79Å; I380-L390 HydrophobicContact CD1-CD2 4.03Å; I380-A412 PolarHBondContact N-O 2.86Å; I380-Q414 PolarHBondContact O-N 2.88Å; I380-L416 HydrophobicContact CB-CD1 4.37Å; I380-L416 HydrophobicContact CG2-CD1 3.69Å; I380-L416 HydrophobicContact CG2-CD2 4.16Å
381	D	91.4	Very high	89.5	Confident	27 Å²	27	30.3 Å²	30.3	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	-112.7	2.3	170.4	74.7	21.1	0	0	0	115	F344 R345 Y379 Q414	F344-D381 PolarHBondContact O-N 3.3Å; R345-D381 WeakPolarHBondContact CA-OD1 3.47Å; R345-D381 VanDerWaalsContact CB-OD1 3.28Å; R345-D381 WeakPolarHBondContact CB-OD1 3.41Å; R345-D381 IonicContact CZ-OD2 3.58Å; R345-D381 VanDerWaalsContact CZ-OD2 3.22Å; R345-D381 IonicContact NE-OD1 3.98Å; R345-D381 PolarHBondContact NE-OD1 3.24Å; R345-D381 IonicContact NE-OD2 3.75Å; R345-D381 PolarHBondContact NE-OD2 3.21Å; R345-D381 IonicContact NH2-OD2 2.83Å; R345-D381 PolarHBondContact NH2-OD2 2.89Å; Y379-D381 HydrophobicContact CE1-CB 3.75Å; Y379-D381 VanDerWaalsContact CE1-OD2 3.24Å; Y379-D381 WeakPolarHBondContact CE1-OD2 3.29Å; Y379-D381 WeakPolarHBondContact OH-CB 3.4Å; Y379-D381 PolarHBondContact OH-OD2 2.76Å; D381-Q414 WeakPolarHBondContact CA-O 3.06Å; D381-Q414 HydrophobicContact CB-CG 4.03Å
382	A	91.3	Very high	89.5	Confident	20 Å²	20	30.7 Å²	30.7	17%	0.165	17%	0.17	C	C	.	.			trans	-148.7	153.7	163.6	0	0	0	0	0	111.1	R345 A346 F349 I380	R345-A382 VanDerWaalsContact C-CB 3.48Å; A346-A382 HydrophobicContact CB-CB 4.39Å; F349-A382 HydrophobicContact CD2-CB 4.21Å; F349-A382 HydrophobicContact CE2-CB 4.5Å; F349-A382 WeakPolarHBondContact CE2-O 3.48Å; I380-A382 VanDerWaalsContact CG2-O 3.24Å; I380-A382 WeakPolarHBondContact CG2-O 3.49Å
383	W	91.5	Very high	89.6	Confident	25 Å²	25	26.9 Å²	26.9	10%	0.095	15%	0.152	C	C	.	.			trans	-153	152.8	175.1	-158.1	-115.1	0	0	0	108.9	F344 F349 L365 I380 W387 N389 L390 F393 L416	F344-W383 HydrophobicContact CD1-CZ3 4.19Å; F344-W383 HydrophobicContact CG-CZ3 4.18Å; F349-W383 HydrophobicContact CE2-CE3 4.36Å; F349-W383 AromaticContact CZ-CE3 3.86Å; F349-W383 HydrophobicContact CZ-CE3 3.86Å; F349-W383 HydrophobicContact CZ-CZ3 4.18Å; L365-W383 HydrophobicContact CD1-CH2 4.18Å; I380-W383 HydrophobicContact CG2-CE3 4.02Å; W383-W387 AromaticContact CE2-CE3 3.72Å; W383-W387 HydrophobicContact CH2-CZ3 4.38Å; W383-W387 AromaticContact CZ2-CE3 3.67Å; W383-W387 HydrophobicContact CZ2-CE3 3.67Å; W383-W387 AromaticContact CZ2-CZ3 3.65Å; W383-W387 HydrophobicContact CZ2-CZ3 3.65Å; W383-W387 AromaticContact NE1-CE3 3.53Å; W383-N389 PolarHBondContact NE1-O 2.03Å; W383-N389 VanDerWaalsContact NE1-O 3.09Å; W383-L390 HydrophobicContact CD2-CD2 3.71Å; W383-L390 VanDerWaalsContact CE2-CD2 3.49Å; W383-L390 HydrophobicContact CE3-CD2 4.24Å; W383-L390 HydrophobicContact CG-CD2 4.05Å; W383-L390 HydrophobicContact CH2-CD2 4.38Å; W383-L390 HydrophobicContact CZ2-CD2 3.86Å; W383-F393 HydrophobicContact CH2-CE2 4.03Å; W383-L416 HydrophobicContact CB-CD1 4.12Å; W383-L416 HydrophobicContact CB-CD2 3.9Å
384	P	86.9	Confident	89.7	Confident	22 Å²	22	27 Å²	27	14%	0.143	15%	0.153	C	C	.	.			trans	-63.8	137.9	-179.9	-19.9	32.7	0	0	0	111.9	F349 E386 W387	F349-P384 HydrophobicContact CD1-CG 3.76Å; F349-P384 HydrophobicContact CE1-CG 3.64Å; F349-P384 HydrophobicContact CG-CG 4.48Å; F349-P384 HydrophobicContact CZ-CG 4.29Å; P384-E386 VanDerWaalsContact CB-OE2 3.3Å; P384-E386 WeakPolarHBondContact CB-OE2 3.18Å; P384-E386 PolarHBondContact O-N 2.01Å; P384-W387 HydrophobicContact CB-CD2 4.45Å; P384-W387 HydrophobicContact CB-CG 4.07Å; P384-W387 HydrophobicContact CG-CD2 4.27Å; P384-W387 HydrophobicContact CG-CG 4.37Å; P384-W387 HydrophobicContact CG-CZ2 4.4Å; P384-W387 WeakPolarHBondContact O-CB 3.24Å; P384-W387 PolarHBondContact O-N 2.8Å
385	A	81.1	Confident	89.9	Confident	85 Å²	85	29.7 Å²	29.7	70%	0.702	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.4	-173	0	0	0	0	0	113.6	W387	A385-W387 PolarHBondContact O-N 3.43Å
386	E	81.3	Confident	90.4	Very high	161 Å²	161	29.7 Å²	29.7	75%	0.752	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-3	176.5	-43.5	81.4	175.4	0	0	112.6	P384	P384-E386 VanDerWaalsContact CB-OE2 3.3Å; P384-E386 WeakPolarHBondContact CB-OE2 3.18Å; P384-E386 PolarHBondContact O-N 2.01Å
387	W	82.8	Confident	90.7	Very high	48 Å²	48	33.1 Å²	33.1	18%	0.182	18%	0.182	C	C	.	.			trans	-113.2	110.4	-169.8	-65.4	41	0	0	0	111.4	L362 L365 W383 P384 A385 N389 V392	L362-W387 HydrophobicContact CB-CH2 4.23Å; L362-W387 HydrophobicContact CB-CZ2 3.69Å; L362-W387 HydrophobicContact CD1-CH2 3.44Å; L362-W387 VanDerWaalsContact CD1-CH2 3.44Å; L362-W387 HydrophobicContact CD1-CZ2 3.51Å; L362-W387 HydrophobicContact CD1-CZ3 4.15Å; L362-W387 HydrophobicContact CG-CH2 4.43Å; L362-W387 HydrophobicContact CG-CZ2 4.16Å; L365-W387 HydrophobicContact CB-CH2 3.91Å; L365-W387 HydrophobicContact CB-CZ3 4.45Å; L365-W387 HydrophobicContact CD1-CH2 3.33Å; L365-W387 HydrophobicContact CD1-CZ2 4.13Å; L365-W387 HydrophobicContact CD1-CZ3 3.75Å; L365-W387 HydrophobicContact CG-CH2 4.23Å; W383-W387 AromaticContact CE2-CE3 3.72Å; W383-W387 HydrophobicContact CH2-CZ3 4.38Å; W383-W387 AromaticContact CZ2-CE3 3.67Å; W383-W387 HydrophobicContact CZ2-CE3 3.67Å; W383-W387 AromaticContact CZ2-CZ3 3.65Å; W383-W387 HydrophobicContact CZ2-CZ3 3.65Å; W383-W387 AromaticContact NE1-CE3 3.53Å; P384-W387 HydrophobicContact CB-CD2 4.45Å; P384-W387 HydrophobicContact CB-CG 4.07Å; P384-W387 HydrophobicContact CG-CD2 4.27Å; P384-W387 HydrophobicContact CG-CG 4.37Å; P384-W387 HydrophobicContact CG-CZ2 4.4Å; P384-W387 WeakPolarHBondContact O-CB 3.24Å; P384-W387 PolarHBondContact O-N 2.8Å; A385-W387 PolarHBondContact O-N 3.43Å; W387-N389 VanDerWaalsContact C-N 3.28Å; W387-N389 PolarHBondContact O-N 2.03Å; W387-V392 HydrophobicContact CH2-CG2 4.3Å; W387-V392 HydrophobicContact CZ3-CG2 3.67Å
388	S	89.4	Confident	90.8	Very high	50 Å²	50	32.5 Å²	32.5	35%	0.35	18%	0.181	S	C	.	.			trans	-78.2	-1.2	-176.1	62.9	0	0	0	0	115.6	Q419 S420	S388-Q419 PolarHBondContact O-N 3.33Å; S388-S420 PolarHBondContact O-N 3.13Å
389	N	92.3	Very high	90.8	Very high	43 Å²	43	32.5 Å²	32.5	23%	0.23	18%	0.181	C	C	.	.	S	Bend	trans	-165.2	178.8	-177.4	62.1	76	0	0	0	113.6	W383 W387 S391 S420	W383-N389 PolarHBondContact NE1-O 2.03Å; W383-N389 VanDerWaalsContact NE1-O 3.09Å; W387-N389 VanDerWaalsContact C-N 3.28Å; W387-N389 PolarHBondContact O-N 2.03Å; N389-S391 WeakPolarHBondContact OD1-CB 3.31Å; N389-S391 PolarHBondContact OD1-N 2.81Å; N389-S391 PolarHBondContact OD1-OG 2.92Å; N389-S420 VanDerWaalsContact CA-O 3.23Å; N389-S420 WeakPolarHBondContact CA-O 3.39Å; N389-S420 WeakPolarHBondContact CB-O 3.4Å
390	L	94.2	Very high	90.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.			trans	-106.1	25.2	-179.1	-45.8	174.6	0	0	0	113.3	I380 W383 V392 F393 I413 L416 I418 L421 L423	I380-L390 HydrophobicContact CD1-CD1 3.79Å; I380-L390 HydrophobicContact CD1-CD2 4.03Å; W383-L390 HydrophobicContact CD2-CD2 3.71Å; W383-L390 VanDerWaalsContact CE2-CD2 3.49Å; W383-L390 HydrophobicContact CE3-CD2 4.24Å; W383-L390 HydrophobicContact CG-CD2 4.05Å; W383-L390 HydrophobicContact CH2-CD2 4.38Å; W383-L390 HydrophobicContact CZ2-CD2 3.86Å; L390-V392 PolarHBondContact O-N 2.85Å; L390-F393 HydrophobicContact CB-CD2 4.46Å; L390-F393 PolarHBondContact O-N 2.77Å; L390-I413 HydrophobicContact CD1-CD1 3.72Å; L390-I413 HydrophobicContact CD1-CG1 4.4Å; L390-I413 HydrophobicContact CD1-CG2 4.38Å; L390-L416 HydrophobicContact CD2-CD1 4.44Å; L390-I418 HydrophobicContact CD1-CD1 4.16Å; L390-I418 HydrophobicContact CD2-CD1 4.27Å; L390-I418 HydrophobicContact CD2-CG2 4.31Å; L390-I418 HydrophobicContact CG-CD1 4Å; L390-L421 WeakPolarHBondContact CA-O 3.32Å; L390-L421 VanDerWaalsContact CB-O 3.25Å; L390-L421 WeakPolarHBondContact CB-O 3.13Å; L390-L421 HydrophobicContact CD1-CD2 4.48Å; L390-L421 PolarHBondContact N-O 3.03Å; L390-L423 HydrophobicContact CB-CD2 4.2Å
391	S	90.6	Very high	90.1	Very high	21 Å²	21	33.7 Å²	33.7	15%	0.147	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.1	1.4	-176.6	-54.5	0	0	0	0	115.1	N389 F393 E394	N389-S391 WeakPolarHBondContact OD1-CB 3.31Å; N389-S391 PolarHBondContact OD1-N 2.81Å; N389-S391 PolarHBondContact OD1-OG 2.92Å; S391-F393 PolarHBondContact O-N 3.48Å; S391-E394 VanDerWaalsContact O-CB 3.24Å; S391-E394 WeakPolarHBondContact O-CB 3.3Å; S391-E394 WeakPolarHBondContact O-CG 3.28Å; S391-E394 PolarHBondContact O-N 2.81Å
392	V	92.3	Very high	89.5	Confident	8 Å²	8	33 Å²	33	5%	0.048	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.3	-31.7	161.1	161.7	0	0	0	0	111.7	L365 F368 R369 W387 L390	L365-V392 HydrophobicContact CB-CG1 4.38Å; L365-V392 HydrophobicContact CB-CG2 4.26Å; L365-V392 WeakPolarHBondContact O-CG1 3.44Å; F368-V392 CarbonylContact C-O 3.53Å; F368-V392 HydrophobicContact CB-CG1 3.79Å; F368-V392 HydrophobicContact CD2-CG1 4.31Å; R369-V392 WeakPolarHBondContact CA-O 3.45Å; R369-V392 PolarHBondContact N-O 2.78Å; W387-V392 HydrophobicContact CH2-CG2 4.3Å; W387-V392 HydrophobicContact CZ3-CG2 3.67Å; L390-V392 PolarHBondContact O-N 2.85Å
393	F	94.6	Very high	89	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-99.2	26.8	175.4	-54.8	-72.3	0	0	0	112.4	L342 F344 F368 L371 L378 W383 L390 S391 N395 L396 L423	L342-F393 HydrophobicContact CD1-CE1 3.93Å; L342-F393 HydrophobicContact CD1-CZ 4.42Å; F344-F393 HydrophobicContact CE2-CE2 4.25Å; F344-F393 AromaticContact CE2-CZ 3.58Å; F344-F393 HydrophobicContact CE2-CZ 3.58Å; F344-F393 AromaticContact CZ-CZ 3.77Å; F344-F393 HydrophobicContact CZ-CZ 3.77Å; F368-F393 HydrophobicContact CB-CD1 3.89Å; F368-F393 HydrophobicContact CB-CE1 3.53Å; F368-F393 HydrophobicContact CB-CZ 4.35Å; F368-F393 HydrophobicContact CD1-CE1 4.09Å; F368-F393 HydrophobicContact CD2-CE1 4.14Å; F368-F393 HydrophobicContact CD2-CZ 4.28Å; F368-F393 HydrophobicContact CG-CD1 4.5Å; F368-F393 AromaticContact CG-CE1 3.67Å; F368-F393 HydrophobicContact CG-CE1 3.67Å; F368-F393 HydrophobicContact CG-CZ 4.27Å; L371-F393 HydrophobicContact CD2-CD1 4.19Å; L371-F393 HydrophobicContact CD2-CE1 4.29Å; L378-F393 HydrophobicContact CD1-CZ 4.38Å; W383-F393 HydrophobicContact CH2-CE2 4.03Å; L390-F393 HydrophobicContact CB-CD2 4.46Å; L390-F393 PolarHBondContact O-N 2.77Å; S391-F393 PolarHBondContact O-N 3.48Å; F393-N395 PolarHBondContact O-N 3.31Å; F393-N395 VanDerWaalsContact O-N 3.14Å; F393-L396 HydrophobicContact CB-CB 4.11Å; F393-L396 HydrophobicContact CB-CD2 4.3Å; F393-L396 VanDerWaalsContact O-CB 3.23Å; F393-L396 WeakPolarHBondContact O-CB 3.24Å; F393-L396 PolarHBondContact O-N 2.72Å; F393-L423 HydrophobicContact CB-CD2 3.66Å
394	E	93.1	Very high	88.6	Confident	26 Å²	26	33.2 Å²	33.2	12%	0.121	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.1	-175.9	60.7	-169.9	158.8	0	0	114.4	R369 S391 R424 S425	R369-E394 IonicContact CZ-OE1 2.86Å; R369-E394 IonicContact NE-OE1 3.58Å; R369-E394 IonicContact NH1-OE1 2.69Å; R369-E394 PolarHBondContact NH1-OE1 3Å; S391-E394 VanDerWaalsContact O-CB 3.24Å; S391-E394 WeakPolarHBondContact O-CB 3.3Å; S391-E394 WeakPolarHBondContact O-CG 3.28Å; S391-E394 PolarHBondContact O-N 2.81Å; E394-R424 HydrophobicContact CB-CG 4.33Å; E394-R424 VanDerWaalsContact O-CG 3.3Å; E394-R424 WeakPolarHBondContact O-CG 3.21Å; E394-R424 IonicContact OE2-CZ 3.74Å; E394-R424 IonicContact OE2-NE 3.34Å; E394-R424 IonicContact OE2-NH2 2.7Å; E394-R424 PolarHBondContact OE2-NH2 2.6Å; E394-S425 VanDerWaalsContact O-CB 3.3Å; E394-S425 WeakPolarHBondContact O-CB 3.25Å; E394-S425 PolarHBondContact O-N 3.4Å; E394-S425 PolarHBondContact O-OG 3.26Å
395	N	94.1	Very high	88.5	Confident	58 Å²	58	32.7 Å²	32.7	31%	0.31	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.3	178.8	-63.2	-46.6	0	0	0	114	R369 L371 E372 F393 K397	R369-N395 PolarHBondContact O-ND2 2.04Å; L371-N395 CarbonylContact O-C 3.5Å; E372-N395 WeakPolarHBondContact CA-O 3.49Å; F393-N395 PolarHBondContact O-N 3.31Å; F393-N395 VanDerWaalsContact O-N 3.14Å; N395-K397 PolarHBondContact O-N 3.49Å
396	L	95.8	Very high	88.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.			trans	-67.4	114.9	176.8	-179.7	63.3	0	0	0	109.4	L371 I374 L378 F393 I399 S425 L426	L371-L396 HydrophobicContact CG-CD1 4.3Å; L371-L396 WeakPolarHBondContact O-CA 3.42Å; L371-L396 PolarHBondContact O-N 3.27Å; I374-L396 HydrophobicContact CD1-CD1 3.92Å; I374-L396 HydrophobicContact CD1-CD2 3.92Å; I374-L396 HydrophobicContact CG1-CD1 3.83Å; L378-L396 HydrophobicContact CD2-CD2 4.1Å; F393-L396 HydrophobicContact CB-CB 4.11Å; F393-L396 HydrophobicContact CB-CD2 4.3Å; F393-L396 VanDerWaalsContact O-CB 3.23Å; F393-L396 WeakPolarHBondContact O-CB 3.24Å; F393-L396 PolarHBondContact O-N 2.72Å; L396-I399 HydrophobicContact CD2-CD1 4.06Å; L396-I399 HydrophobicContact CD2-CG1 4Å; L396-I399 HydrophobicContact CG-CG1 4.43Å; L396-S425 CarbonylContact O-C 3.55Å; L396-S425 VanDerWaalsContact O-C 3.25Å; L396-L426 WeakPolarHBondContact O-CA 3.24Å; L396-L426 PolarHBondContact O-N 3.44Å
397	K	93.8	Very high	88.2	Confident	72 Å²	72	24.8 Å²	24.8	31%	0.313	13%	0.13	S	C	.	.			trans	-95.4	-42.2	-175.2	-71.2	171.2	-161.4	170.6	0	112.7	E372 N395 S425 H427 S428	E372-K397 HydrophobicContact CB-CD 4.21Å; E372-K397 VanDerWaalsContact CD-CE 3.48Å; E372-K397 WeakPolarHBondContact O-CA 3.06Å; E372-K397 WeakPolarHBondContact O-CB 3.35Å; E372-K397 PolarHBondContact O-N 3.11Å; E372-K397 WeakPolarHBondContact OE1-CE 3.36Å; E372-K397 IonicContact OE1-NZ 3.13Å; E372-K397 PolarHBondContact OE1-NZ 2.86Å; E372-K397 WeakPolarHBondContact OE2-CE 3.22Å; E372-K397 IonicContact OE2-NZ 2.77Å; E372-K397 PolarHBondContact OE2-NZ 3.09Å; N395-K397 PolarHBondContact O-N 3.49Å; K397-S425 WeakPolarHBondContact CA-O 3.29Å; K397-H427 PolarHBondContact O-N 3.21Å; K397-H427 PolarHBondContact O-ND1 2.58Å; K397-S428 PolarHBondContact O-N 2.95Å
398	V	91	Very high	88.2	Confident	12 Å²	12	22.6 Å²	22.6	7%	0.073	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.7	-171.9	-174.6	0	0	0	0	111.8	E372 E373 I374 R400 S428	E372-V398 PolarHBondContact O-N 2.73Å; E372-V398 VanDerWaalsContact O-N 3.14Å; E373-V398 WeakPolarHBondContact CA-O 3.01Å; E373-V398 HydrophobicContact CG-CB 4.22Å; I374-V398 PolarHBondContact N-O 3.42Å; V398-R400 HydrophobicContact CG1-CG 4.23Å; V398-S428 WeakPolarHBondContact CA-O 3.44Å
399	I	91.7	Very high	88.1	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.8	162.6	-58.7	174.1	0	0	0	106.7	G376 L378 L396 L411 L426 S428 V429 S430	G376-I399 WeakPolarHBondContact O-CG2 3.37Å; L378-I399 HydrophobicContact CB-CD1 4.21Å; L378-I399 HydrophobicContact CD2-CD1 4.5Å; L396-I399 HydrophobicContact CD2-CD1 4.06Å; L396-I399 HydrophobicContact CD2-CG1 4Å; L396-I399 HydrophobicContact CG-CG1 4.43Å; I399-L411 HydrophobicContact CD1-CB 4.23Å; I399-L411 HydrophobicContact CD1-CD1 3.94Å; I399-L411 HydrophobicContact CD1-CD2 4.38Å; I399-L411 HydrophobicContact CD1-CG 4.42Å; I399-L426 HydrophobicContact CD1-CD1 4.4Å; I399-L426 HydrophobicContact CD1-CD2 4.46Å; I399-L426 HydrophobicContact CG1-CD1 4.16Å; I399-S428 PolarHBondContact N-O 3.33Å; I399-V429 HydrophobicContact CB-CG2 4.41Å; I399-V429 CarbonylContact O-C 3.53Å; I399-V429 VanDerWaalsContact O-CA 3.3Å; I399-V429 WeakPolarHBondContact O-CA 3.43Å; I399-S430 PolarHBondContact O-N 3.13Å
400	R	87.1	Confident	88	Confident	29 Å²	29	18.8 Å²	18.8	11%	0.109	10%	0.097	C	C	.	.			trans	-73	-38	-176	-59.3	-72.1	-178.6	-168	-8	112	N262 E373 I374 A375 V398 R402 S430 G431	N262-R400 PolarHBondContact ND2-O 3.47Å; N262-R400 PolarHBondContact OD1-O 2.79Å; E373-R400 HydrophobicContact CG-CG 4.26Å; E373-R400 WeakPolarHBondContact OE1-CG 3.23Å; E373-R400 IonicContact OE1-CZ 3.71Å; E373-R400 IonicContact OE1-NE 2.65Å; E373-R400 PolarHBondContact OE1-NE 2.96Å; E373-R400 IonicContact OE1-NH2 2.72Å; E373-R400 IonicContact OE2-CZ 2.68Å; E373-R400 IonicContact OE2-NE 3.49Å; E373-R400 PolarHBondContact OE2-NE 3.29Å; E373-R400 IonicContact OE2-NH2 3.81Å; E373-R400 PolarHBondContact OE2-NH2 3.01Å; I374-R400 PolarHBondContact O-N 2.83Å; A375-R400 WeakPolarHBondContact O-CB 3.03Å; V398-R400 HydrophobicContact CG1-CG 4.23Å; R400-R402 VanDerWaalsContact C-N 3.34Å; R400-R402 HydrophobicContact CB-CG 4.11Å; R400-R402 PolarHBondContact O-N 3.47Å; R400-S430 CarbonylContact O-C 3.29Å; R400-G431 PolarHBondContact O-N 2.76Å
401	G	85.3	Confident	87.9	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.097	C	C	.	.			trans	71.9	22	-178.5	0	0	0	0	0	114.7	A375 G376 M403 L404	A375-G401 PolarHBondContact O-N 2.82Å; G376-G401 WeakPolarHBondContact O-CA 3.4Å; G376-G401 PolarHBondContact O-N 2.83Å; G376-G401 VanDerWaalsContact O-N 3.09Å; G401-M403 PolarHBondContact O-N 2.84Å; G401-L404 WeakPolarHBondContact O-CD2 3.39Å; G401-L404 WeakPolarHBondContact O-CG 3.49Å
402	R	79.6	Confident	88	Confident	11 Å²	11	17.8 Å²	17.8	4%	0.042	9%	0.091	C	C	.	.	S	Bend	trans	-69.9	-16.8	175	-58.4	-171.4	-160.8	131.6	1.6	113.1	N262 L272 E280 Q292 A375 R400	N262-R402 VanDerWaalsContact O-CD 3.3Å; N262-R402 WeakPolarHBondContact O-CD 3.05Å; N262-R402 PolarHBondContact O-NE 3.16Å; N262-R402 WeakPolarHBondContact OD1-CG 3.06Å; N262-R402 PolarHBondContact OD1-NE 3.43Å; L272-R402 HydrophobicContact CB-CB 4.36Å; L272-R402 HydrophobicContact CD2-CB 4.07Å; L272-R402 HydrophobicContact CD2-CG 4.45Å; L272-R402 WeakPolarHBondContact O-CD 3.45Å; E280-R402 IonicContact OE1-CZ 2.77Å; E280-R402 IonicContact OE1-NH1 2.81Å; E280-R402 IonicContact OE1-NH2 3.22Å; E280-R402 PolarHBondContact OE1-NH2 2.97Å; E280-R402 IonicContact OE2-CZ 2.81Å; E280-R402 IonicContact OE2-NH1 3.65Å; E280-R402 PolarHBondContact OE2-NH1 3.46Å; E280-R402 IonicContact OE2-NH2 3.44Å; Q292-R402 VanDerWaalsContact CD-NH2 3.26Å; A375-R402 WeakPolarHBondContact O-CB 3.45Å; A375-R402 PolarHBondContact O-N 2.73Å; R400-R402 VanDerWaalsContact C-N 3.34Å; R400-R402 HydrophobicContact CB-CG 4.11Å; R400-R402 PolarHBondContact O-N 3.47Å
403	M	80.8	Confident	88.1	Confident	27 Å²	27	17.4 Å²	17.4	13%	0.133	9%	0.088	C	C	.	.	S	Bend	trans	-121.8	136.3	163.2	-61.6	167.1	52.4	0	0	106.9	V316 G376 Y377 G401	V316-M403 HydrophobicContact CB-CE 4.33Å; V316-M403 HydrophobicContact CG1-CE 3.84Å; V316-M403 HydrophobicContact CG2-CE 3.5Å; V316-M403 VanDerWaalsContact CG2-CE 3.5Å; V316-M403 HydrophobicContact CG2-SD 4.05Å; G376-M403 CarbonylContact C-O 3.2Å; G376-M403 VanDerWaalsContact C-O 3.23Å; G376-M403 WeakPolarHBondContact CA-O 3.3Å; Y377-M403 PolarHBondContact N-O 3.02Å; G401-M403 PolarHBondContact O-N 2.84Å
404	L	83.5	Confident	88	Confident	24 Å²	24	17.7 Å²	17.7	13%	0.126	9%	0.09	C	C	.	.			trans	-122.1	138.5	-175	-62.7	177.5	0	0	0	110.8	L3 Y377 G401 M406 G407 F409	L3-L404 HydrophobicContact CD1-CD1 3.62Å; Y377-L404 VanDerWaalsContact CD1-C 3.44Å; G401-L404 WeakPolarHBondContact O-CD2 3.39Å; G401-L404 WeakPolarHBondContact O-CG 3.49Å; L404-M406 PolarHBondContact O-N 3.25Å; L404-G407 VanDerWaalsContact CB-C 3.42Å; L404-G407 WeakPolarHBondContact CD1-O 3.39Å; L404-G407 PolarHBondContact O-N 3.06Å; L404-F409 CarbonylContact C-O 3.47Å; L404-F409 WeakPolarHBondContact CA-O 3.48Å
405	Y	83.5	Confident	88	Confident	10 Å²	10	19.9 Å²	19.9	4%	0.039	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-63.5	124.1	174.4	-178.2	-95.1	0	0	0	109.1	V321 Y377 Y379 G407 V408 F409	V321-Y405 HydrophobicContact CG1-CE2 4.14Å; V321-Y405 HydrophobicContact CG2-CE2 3.96Å; Y377-Y405 HydrophobicContact CD2-CD2 4.4Å; Y377-Y405 AromaticContact CE2-CD2 3.76Å; Y377-Y405 HydrophobicContact CE2-CD2 3.76Å; Y377-Y405 HydrophobicContact CE2-CG 4.36Å; Y377-Y405 AromaticContact CZ-CD2 3.86Å; Y379-Y405 HydrophobicContact CD1-CD2 4.37Å; Y379-Y405 AromaticContact CD1-CE2 4Å; Y379-Y405 HydrophobicContact CD1-CE2 4Å; Y379-Y405 AromaticContact CD2-CD1 3.48Å; Y379-Y405 HydrophobicContact CD2-CD1 3.48Å; Y379-Y405 VanDerWaalsContact CD2-CD1 3.48Å; Y379-Y405 AromaticContact CD2-CD2 3.58Å; Y379-Y405 HydrophobicContact CD2-CD2 3.58Å; Y379-Y405 AromaticContact CD2-CE1 3.53Å; Y379-Y405 HydrophobicContact CD2-CE1 3.53Å; Y379-Y405 AromaticContact CD2-CE2 3.62Å; Y379-Y405 HydrophobicContact CD2-CE2 3.62Å; Y379-Y405 AromaticContact CD2-CG 3.51Å; Y379-Y405 HydrophobicContact CD2-CG 3.51Å; Y379-Y405 AromaticContact CD2-CZ 3.6Å; Y379-Y405 HydrophobicContact CE1-CE2 4.1Å; Y379-Y405 AromaticContact CE2-CD1 3.64Å; Y379-Y405 HydrophobicContact CE2-CD1 3.64Å; Y379-Y405 HydrophobicContact CE2-CD2 4.17Å; Y379-Y405 AromaticContact CE2-CE1 3.19Å; Y379-Y405 HydrophobicContact CE2-CE1 3.19Å; Y379-Y405 AromaticContact CE2-CE2 3.76Å; Y379-Y405 HydrophobicContact CE2-CE2 3.76Å; Y379-Y405 HydrophobicContact CE2-CG 4.11Å; Y379-Y405 AromaticContact CE2-CZ 3.26Å; Y379-Y405 HydrophobicContact CG-CD1 4.43Å; Y379-Y405 AromaticContact CG-CD2 3.72Å; Y379-Y405 HydrophobicContact CG-CD2 3.72Å; Y379-Y405 HydrophobicContact CG-CE1 4.48Å; Y379-Y405 AromaticContact CG-CE2 3.76Å; Y379-Y405 HydrophobicContact CG-CE2 3.76Å; Y379-Y405 HydrophobicContact CG-CG 4.07Å; Y379-Y405 AromaticContact CZ-CE1 3.9Å; Y379-Y405 AromaticContact CZ-CE2 3.99Å; Y379-Y405 AromaticContact CZ-CZ 3.5Å; Y379-Y405 PolarHBondContact OH-OH 2.42Å; Y405-G407 PolarHBondContact O-N 3.26Å; Y405-G407 VanDerWaalsContact O-N 3.13Å; Y405-V408 PolarHBondContact O-N 2.86Å; Y405-F409 HydrophobicContact CD1-CD2 4.47Å; Y405-F409 PolarHBondContact N-O 2.62Å; Y405-F409 PolarHBondContact O-N 3.35Å
406	M	78.4	Confident	87.9	Confident	60 Å²	60	17.3 Å²	17.3	30%	0.296	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	19.3	-171	-61.2	-66.5	178.2	0	0	114.6	D6 M7 L404 V408	D6-M406 PolarHBondContact N-O 3.16Å; M7-M406 HydrophobicContact CG-CB 3.82Å; L404-M406 PolarHBondContact O-N 3.25Å; M406-V408 PolarHBondContact O-N 3.15Å
407	G	77.9	Confident	87.8	Confident	20 Å²	20	23.2 Å²	23.2	21%	0.206	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	1.1	-172	0	0	0	0	0	114.8	L404 Y405	L404-G407 VanDerWaalsContact CB-C 3.42Å; L404-G407 WeakPolarHBondContact CD1-O 3.39Å; L404-G407 PolarHBondContact O-N 3.06Å; Y405-G407 PolarHBondContact O-N 3.26Å; Y405-G407 VanDerWaalsContact O-N 3.13Å
408	V	83.2	Confident	87.8	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.018	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-51	-171.5	178.7	0	0	0	0	113.6	T5 T21 Y405 M406 L433	T5-V408 HydrophobicContact CG2-CG2 3.51Å; T21-V408 HydrophobicContact CG2-CG1 3.48Å; T21-V408 VanDerWaalsContact CG2-CG1 3.48Å; T21-V408 HydrophobicContact CG2-CG2 4.4Å; Y405-V408 PolarHBondContact O-N 2.86Å; M406-V408 PolarHBondContact O-N 3.15Å; V408-L433 HydrophobicContact CG1-CB 4.28Å; V408-L433 HydrophobicContact CG1-CD1 3.77Å; V408-L433 HydrophobicContact CG1-CG 4.18Å; V408-L433 PolarHBondContact O-N 3.03Å
409	F	87.4	Confident	88	Confident	12 Å²	12	22.7 Å²	22.7	5%	0.053	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.7	-163.3	-57.9	-75.3	0	0	0	113.4	T21 Y377 L404 Y405 A412 L433 L435 I463	T21-F409 HydrophobicContact CG2-CE1 4.46Å; T21-F409 HydrophobicContact CG2-CZ 3.85Å; Y377-F409 WeakPolarHBondContact CB-O 2.45Å; L404-F409 CarbonylContact C-O 3.47Å; L404-F409 WeakPolarHBondContact CA-O 3.48Å; Y405-F409 HydrophobicContact CD1-CD2 4.47Å; Y405-F409 PolarHBondContact N-O 2.62Å; Y405-F409 PolarHBondContact O-N 3.35Å; F409-A412 HydrophobicContact CB-CB 4.07Å; F409-A412 HydrophobicContact CG-CB 4.49Å; F409-L433 CarbonylContact C-O 3.54Å; F409-L433 VanDerWaalsContact CA-O 3.22Å; F409-L433 WeakPolarHBondContact CA-O 3.26Å; F409-L433 HydrophobicContact CD1-CB 3.66Å; F409-L433 HydrophobicContact CE1-CB 3.89Å; F409-L433 HydrophobicContact CE1-CD1 4.32Å; F409-L435 HydrophobicContact CD1-CB 3.69Å; F409-L435 HydrophobicContact CE1-CB 3.73Å; F409-L435 HydrophobicContact CE1-CD1 4.43Å; F409-L435 HydrophobicContact CE1-CD2 4.35Å; F409-L435 HydrophobicContact CE1-CG 4.39Å; F409-L435 HydrophobicContact CE2-CD2 4.33Å; F409-L435 HydrophobicContact CG-CB 4.33Å; F409-L435 HydrophobicContact CZ-CB 4.37Å; F409-L435 HydrophobicContact CZ-CD2 4.15Å; F409-I463 HydrophobicContact CE1-CD1 4.3Å
410	S	90.2	Very high	88.1	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-31.7	173.4	57.3	0	0	0	0	112.1	Y377 L378 V429 G431 G432 L433	Y377-S410 CarbonylContact C-O 3.5Å; Y377-S410 WeakPolarHBondContact CA-O 3.31Å; Y377-S410 WeakPolarHBondContact CB-O 3.27Å; L378-S410 PolarHBondContact N-O 3.15Å; S410-V429 WeakPolarHBondContact OG-CG1 2.93Å; S410-G431 WeakPolarHBondContact CB-O 3.12Å; S410-G431 PolarHBondContact OG-O 3.25Å; S410-G431 VanDerWaalsContact OG-O 3.11Å; S410-G432 PolarHBondContact OG-O 3.24Å; S410-L433 PolarHBondContact N-O 3.46Å; S410-L433 PolarHBondContact OG-O 3.03Å
411	L	92.7	Very high	88.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	116.8	171.5	179	62.3	0	0	0	109.4	L378 I399 I413 L426 V434 L435	L378-L411 HydrophobicContact CB-CD1 3.97Å; L378-L411 HydrophobicContact CD2-CD1 3.92Å; L378-L411 HydrophobicContact CG-CD1 4.04Å; L378-L411 WeakPolarHBondContact O-CA 3Å; I399-L411 HydrophobicContact CD1-CB 4.23Å; I399-L411 HydrophobicContact CD1-CD1 3.94Å; I399-L411 HydrophobicContact CD1-CD2 4.38Å; I399-L411 HydrophobicContact CD1-CG 4.42Å; L411-I413 HydrophobicContact CD1-CD1 4Å; L411-I413 HydrophobicContact CD1-CG1 4.05Å; L411-I413 HydrophobicContact CD2-CD1 4.49Å; L411-I413 HydrophobicContact CG-CD1 4.28Å; L411-I413 HydrophobicContact CG-CG1 4.38Å; L411-L426 HydrophobicContact CD2-CD2 4.35Å; L411-V434 HydrophobicContact CB-CG1 4.22Å; L411-V434 HydrophobicContact CB-CG2 4.15Å; L411-V434 HydrophobicContact CD2-CG1 4.14Å; L411-V434 HydrophobicContact CG-CG1 4.29Å; L411-V434 CarbonylContact O-C 3.5Å; L411-V434 VanDerWaalsContact O-CA 3.26Å; L411-V434 WeakPolarHBondContact O-CA 3.37Å; L411-L435 PolarHBondContact O-N 3.24Å
412	A	92.5	Very high	88.9	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	118.4	178.8	0	0	0	0	0	110.5	L378 Y379 I380 F409 L435	L378-A412 PolarHBondContact O-N 2.73Å; Y379-A412 CarbonylContact C-O 3.25Å; Y379-A412 WeakPolarHBondContact CA-O 3.03Å; Y379-A412 HydrophobicContact CD2-CB 3.71Å; Y379-A412 HydrophobicContact CE2-CB 4.3Å; I380-A412 PolarHBondContact N-O 2.86Å; F409-A412 HydrophobicContact CB-CB 4.07Å; F409-A412 HydrophobicContact CG-CB 4.49Å; A412-L435 WeakPolarHBondContact CA-O 3.06Å; A412-L435 HydrophobicContact CB-CB 4.16Å
413	I	94.6	Very high	89.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.3	-176.8	-56.1	175.3	0	0	0	107.3	L390 L411 L416 I418 L421 L435 L436 Y437 N439	L390-I413 HydrophobicContact CD1-CD1 3.72Å; L390-I413 HydrophobicContact CD1-CG1 4.4Å; L390-I413 HydrophobicContact CD1-CG2 4.38Å; L411-I413 HydrophobicContact CD1-CD1 4Å; L411-I413 HydrophobicContact CD1-CG1 4.05Å; L411-I413 HydrophobicContact CD2-CD1 4.49Å; L411-I413 HydrophobicContact CG-CD1 4.28Å; L411-I413 HydrophobicContact CG-CG1 4.38Å; I413-L416 HydrophobicContact CG2-CD1 3.53Å; I413-L416 HydrophobicContact CG2-CG 4.29Å; I413-I418 HydrophobicContact CG2-CD1 4.08Å; I413-L421 HydrophobicContact CD1-CD2 3.72Å; I413-L435 PolarHBondContact N-O 2.86Å; I413-L436 HydrophobicContact CB-CD2 3.97Å; I413-L436 HydrophobicContact CD1-CD2 4.02Å; I413-L436 HydrophobicContact CG1-CD2 4.3Å; I413-L436 WeakPolarHBondContact O-CA 3.13Å; I413-Y437 PolarHBondContact O-N 2.95Å; I413-Y437 VanDerWaalsContact O-N 3.1Å; I413-N439 PolarHBondContact O-ND2 3.02Å
414	Q	92.6	Very high	90.2	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.028	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.3	-172.6	60.3	174.6	-2.5	0	0	115.6	Y379 I380 D381 L416 Y437	Y379-Q414 PolarHBondContact OH-NE2 3.33Å; I380-Q414 PolarHBondContact O-N 2.88Å; D381-Q414 WeakPolarHBondContact CA-O 3.06Å; D381-Q414 HydrophobicContact CB-CG 4.03Å; Q414-L416 VanDerWaalsContact C-N 3.26Å; Q414-L416 VanDerWaalsContact O-CD2 3.31Å; Q414-L416 WeakPolarHBondContact O-CD2 3.31Å; Q414-L416 WeakPolarHBondContact O-CG 3.09Å; Q414-L416 PolarHBondContact O-N 3.45Å; Q414-Y437 CarbonylContact C-O 3.55Å; Q414-Y437 WeakPolarHBondContact CA-O 2.88Å; Q414-Y437 HydrophobicContact CB-CD1 4.22Å; Q414-Y437 VanDerWaalsContact CB-O 3.3Å; Q414-Y437 WeakPolarHBondContact CB-O 3.32Å
415	N	92	Very high	90.7	Very high	71 Å²	71	23.1 Å²	23.1	38%	0.38	12%	0.117	S	C	.	.	S	Bend	trans	60.8	27.8	177.8	-47.4	-63.1	0	0	0	114.1	Y437 N438	N415-Y437 PolarHBondContact N-O 2.89Å; N415-N438 WeakPolarHBondContact CA-O 3.44Å; N415-N438 PolarHBondContact OD1-ND2 2.9Å
416	L	93.3	Very high	91.2	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	12%	0.117	C	C	.	.			trans	-103.2	150.5	-175.3	-50.4	-172	0	0	0	113.3	I380 W383 L390 I413 Q414 I418 N439	I380-L416 HydrophobicContact CB-CD1 4.37Å; I380-L416 HydrophobicContact CG2-CD1 3.69Å; I380-L416 HydrophobicContact CG2-CD2 4.16Å; W383-L416 HydrophobicContact CB-CD1 4.12Å; W383-L416 HydrophobicContact CB-CD2 3.9Å; L390-L416 HydrophobicContact CD2-CD1 4.44Å; I413-L416 HydrophobicContact CG2-CD1 3.53Å; I413-L416 HydrophobicContact CG2-CG 4.29Å; Q414-L416 VanDerWaalsContact C-N 3.26Å; Q414-L416 VanDerWaalsContact O-CD2 3.31Å; Q414-L416 WeakPolarHBondContact O-CD2 3.31Å; Q414-L416 WeakPolarHBondContact O-CG 3.09Å; Q414-L416 PolarHBondContact O-N 3.45Å; L416-I418 VanDerWaalsContact C-N 3.32Å; L416-I418 HydrophobicContact CB-CG1 4.02Å; L416-I418 HydrophobicContact CB-CG2 4.35Å; L416-I418 HydrophobicContact CD1-CD1 4.07Å; L416-I418 HydrophobicContact CD1-CG1 4.39Å; L416-I418 HydrophobicContact CD1-CG2 4.45Å; L416-N439 WeakPolarHBondContact CB-OD1 3.17Å; L416-N439 PolarHBondContact N-OD1 2.88Å; L416-N439 VanDerWaalsContact O-CA 3.26Å; L416-N439 WeakPolarHBondContact O-CA 3.28Å
417	H	92.6	Very high	91.7	Very high	124 Å²	124	25.3 Å²	25.3	57%	0.574	13%	0.127	S	C	*	.			trans	-93.9	22.4	173.2	-61	-66.5	0	0	0	113.5	S440	H417-S440 PolarHBondContact ND1-OG 2.85Å
418	I	94.5	Very high	92.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.124	C	C	.	.			trans	-71	147.7	176.2	61.3	172.7	0	0	0	111.4	L390 I413 L416 L421 E441 L442	L390-I418 HydrophobicContact CD1-CD1 4.16Å; L390-I418 HydrophobicContact CD2-CD1 4.27Å; L390-I418 HydrophobicContact CD2-CG2 4.31Å; L390-I418 HydrophobicContact CG-CD1 4Å; I413-I418 HydrophobicContact CG2-CD1 4.08Å; L416-I418 VanDerWaalsContact C-N 3.32Å; L416-I418 HydrophobicContact CB-CG1 4.02Å; L416-I418 HydrophobicContact CB-CG2 4.35Å; L416-I418 HydrophobicContact CD1-CD1 4.07Å; L416-I418 HydrophobicContact CD1-CG1 4.39Å; L416-I418 HydrophobicContact CD1-CG2 4.45Å; I418-L421 HydrophobicContact CD1-CD2 3.95Å; I418-E441 CarbonylContact O-C 3.57Å; I418-E441 VanDerWaalsContact O-C 3.3Å; I418-L442 HydrophobicContact CD1-CD1 4.33Å; I418-L442 HydrophobicContact CG1-CD1 4.29Å; I418-L442 VanDerWaalsContact O-CA 3.3Å; I418-L442 WeakPolarHBondContact O-CA 2.93Å; I418-L442 PolarHBondContact O-N 3.18Å; I418-L442 VanDerWaalsContact O-N 3.13Å
419	Q	94.2	Very high	92.5	Very high	73 Å²	73	25.2 Å²	25.2	34%	0.341	12%	0.124	S	C	.	.	S	Bend	trans	-96.5	-22	-179.7	-57.4	-172.5	-31.2	0	0	112.9	S388 E441 C443	S388-Q419 PolarHBondContact O-N 3.33Å; Q419-E441 WeakPolarHBondContact CA-O 3.36Å; Q419-E441 HydrophobicContact CG-CB 4.16Å; Q419-E441 PolarHBondContact NE2-OE2 3.1Å; Q419-C443 PolarHBondContact O-N 3.03Å
420	S	95.1	Very high	92.2	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.035	12%	0.121	C	C	.	.			trans	-155	160.6	-179.7	54.6	0	0	0	0	110.3	S388 N389	S388-S420 PolarHBondContact O-N 3.13Å; N389-S420 VanDerWaalsContact CA-O 3.23Å; N389-S420 WeakPolarHBondContact CA-O 3.39Å; N389-S420 WeakPolarHBondContact CB-O 3.4Å
421	L	95.1	Very high	91.7	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	12%	0.122	C	C	.	.			trans	-79.2	-48.1	179.6	-64.5	-175.7	0	0	0	111.7	L390 I413 I418 L423 L442 T445 W489	L390-L421 WeakPolarHBondContact CA-O 3.32Å; L390-L421 VanDerWaalsContact CB-O 3.25Å; L390-L421 WeakPolarHBondContact CB-O 3.13Å; L390-L421 HydrophobicContact CD1-CD2 4.48Å; L390-L421 PolarHBondContact N-O 3.03Å; I413-L421 HydrophobicContact CD1-CD2 3.72Å; I418-L421 HydrophobicContact CD1-CD2 3.95Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 HydrophobicContact CB-CD1 4.47Å; L421-L423 HydrophobicContact CB-CG 4.24Å; L421-L423 PolarHBondContact O-N 3.15Å; L421-L442 HydrophobicContact CD2-CD1 3.95Å; L421-L442 HydrophobicContact CD2-CD2 4.04Å; L421-L442 HydrophobicContact CG-CD1 4.16Å; L421-T445 HydrophobicContact CD1-CG2 4.19Å; L421-T445 HydrophobicContact CG-CG2 4.33Å; L421-W489 HydrophobicContact CB-CE3 4.03Å; L421-W489 HydrophobicContact CD1-CE3 4.08Å; L421-W489 HydrophobicContact CD1-CZ3 3.83Å; L421-W489 PolarHBondContact N-O 3.15Å
422	G	94.1	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.			trans	76.3	9	179.9	0	0	0	0	0	115.8	R424 W489	G422-R424 PolarHBondContact O-N 2.95Å; G422-W489 PolarHBondContact N-O 2.79Å
423	L	94.9	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.			trans	-79.1	50.8	-178	-54.2	177	0	0	0	112.1	L390 F393 L421 S425 L426 W489	L390-L423 HydrophobicContact CB-CD2 4.2Å; F393-L423 HydrophobicContact CB-CD2 3.66Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 HydrophobicContact CB-CD1 4.47Å; L421-L423 HydrophobicContact CB-CG 4.24Å; L421-L423 PolarHBondContact O-N 3.15Å; L423-S425 PolarHBondContact O-N 2.94Å; L423-L426 HydrophobicContact CB-CB 4.09Å; L423-L426 HydrophobicContact CB-CD2 4.3Å; L423-L426 HydrophobicContact CD1-CD2 3.93Å; L423-L426 VanDerWaalsContact O-CB 3.3Å; L423-L426 WeakPolarHBondContact O-CB 3.36Å; L423-L426 PolarHBondContact O-N 3.2Å; L423-W489 HydrophobicContact CB-CD2 4.28Å; L423-W489 HydrophobicContact CB-CE3 3.83Å; L423-W489 HydrophobicContact CB-CZ3 4.03Å; L423-W489 HydrophobicContact CD1-CZ3 4.37Å
424	R	92.3	Very high	90.8	Very high	61 Å²	61	25 Å²	25	23%	0.23	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.3	-162.9	74.1	-179.4	89.2	-157.9	13	116.1	E394 G422 G494	E394-R424 HydrophobicContact CB-CG 4.33Å; E394-R424 VanDerWaalsContact O-CG 3.3Å; E394-R424 WeakPolarHBondContact O-CG 3.21Å; E394-R424 IonicContact OE2-CZ 3.74Å; E394-R424 IonicContact OE2-NE 3.34Å; E394-R424 IonicContact OE2-NH2 2.7Å; E394-R424 PolarHBondContact OE2-NH2 2.6Å; G422-R424 PolarHBondContact O-N 2.95Å; R424-G494 WeakPolarHBondContact CD-O 3.15Å; R424-G494 PolarHBondContact NH1-O 2.86Å
425	S	93.9	Very high	90.7	Very high	31 Å²	31	24.9 Å²	24.9	22%	0.217	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.2	-178.4	-55.2	0	0	0	0	114.4	E394 L396 K397 L423 H427	E394-S425 VanDerWaalsContact O-CB 3.3Å; E394-S425 WeakPolarHBondContact O-CB 3.25Å; E394-S425 PolarHBondContact O-N 3.4Å; E394-S425 PolarHBondContact O-OG 3.26Å; L396-S425 CarbonylContact O-C 3.55Å; L396-S425 VanDerWaalsContact O-C 3.25Å; K397-S425 WeakPolarHBondContact CA-O 3.29Å; L423-S425 PolarHBondContact O-N 2.94Å; S425-H427 PolarHBondContact O-N 3.37Å; S425-H427 PolarHBondContact O-ND1 3.46Å
426	L	93.4	Very high	90.8	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.106	C	C	.	.			trans	-71.5	116.9	-171.1	-178.2	62.3	0	0	0	110.1	L396 I399 L411 L423 V429 W489	L396-L426 WeakPolarHBondContact O-CA 3.24Å; L396-L426 PolarHBondContact O-N 3.44Å; I399-L426 HydrophobicContact CD1-CD1 4.4Å; I399-L426 HydrophobicContact CD1-CD2 4.46Å; I399-L426 HydrophobicContact CG1-CD1 4.16Å; L411-L426 HydrophobicContact CD2-CD2 4.35Å; L423-L426 HydrophobicContact CB-CB 4.09Å; L423-L426 HydrophobicContact CB-CD2 4.3Å; L423-L426 HydrophobicContact CD1-CD2 3.93Å; L423-L426 VanDerWaalsContact O-CB 3.3Å; L423-L426 WeakPolarHBondContact O-CB 3.36Å; L423-L426 PolarHBondContact O-N 3.2Å; L426-V429 HydrophobicContact CD1-CG2 4.26Å; L426-V429 HydrophobicContact CD2-CG2 4.31Å; L426-W489 HydrophobicContact CB-CH2 4.12Å; L426-W489 HydrophobicContact CB-CZ2 3.98Å; L426-W489 HydrophobicContact CD2-CH2 3.85Å; L426-W489 HydrophobicContact CD2-CZ3 4.33Å; L426-W489 HydrophobicContact CG-CH2 4.19Å; L426-W489 HydrophobicContact CG-CZ2 4.39Å; L426-W489 VanDerWaalsContact O-CZ2 3.23Å; L426-W489 WeakPolarHBondContact O-CZ2 3.32Å
427	H	89.3	Confident	90.7	Very high	111 Å²	111	23 Å²	23	51%	0.514	11%	0.111	S	C	.	.			trans	-133.2	-4.1	-177.4	63	-93.1	0	0	0	113.6	K397 S425	K397-H427 PolarHBondContact O-N 3.21Å; K397-H427 PolarHBondContact O-ND1 2.58Å; S425-H427 PolarHBondContact O-N 3.37Å; S425-H427 PolarHBondContact O-ND1 3.46Å
428	S	88.6	Confident	90.6	Very high	21 Å²	21	20.1 Å²	20.1	15%	0.147	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	126.4	172.2	-172.4	0	0	0	0	111.6	K397 V398 I399 S430 I453	K397-S428 PolarHBondContact O-N 2.95Å; V398-S428 WeakPolarHBondContact CA-O 3.44Å; I399-S428 PolarHBondContact N-O 3.33Å; S428-S430 PolarHBondContact OG-OG 3.28Å; S428-S430 VanDerWaalsContact OG-OG 3.09Å; S428-I453 CarbonylContact C-O 3.47Å; S428-I453 WeakPolarHBondContact CA-O 3.29Å
429	V	89.3	Confident	90.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.6	161	178.6	0	0	0	0	105.7	I399 S410 L426 G431 V434 I453 L454	I399-V429 HydrophobicContact CB-CG2 4.41Å; I399-V429 CarbonylContact O-C 3.53Å; I399-V429 VanDerWaalsContact O-CA 3.3Å; I399-V429 WeakPolarHBondContact O-CA 3.43Å; S410-V429 WeakPolarHBondContact OG-CG1 2.93Å; L426-V429 HydrophobicContact CD1-CG2 4.26Å; L426-V429 HydrophobicContact CD2-CG2 4.31Å; V429-G431 PolarHBondContact O-N 3.5Å; V429-V434 HydrophobicContact CG1-CG2 4.06Å; V429-I453 HydrophobicContact CG2-CG2 4.01Å; V429-I453 PolarHBondContact N-O 2.87Å; V429-L454 HydrophobicContact CB-CD2 4.16Å; V429-L454 HydrophobicContact CG1-CD2 4.33Å
430	S	80.7	Confident	90.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.			trans	-88.7	2.2	-157.5	-40	0	0	0	0	115.2	Y261 N262 I399 R400 S428	Y261-S430 WeakPolarHBondContact CE1-O 3.05Å; N262-S430 PolarHBondContact ND2-O 2.84Å; I399-S430 PolarHBondContact O-N 3.13Å; R400-S430 CarbonylContact O-C 3.29Å; S428-S430 PolarHBondContact OG-OG 3.28Å; S428-S430 VanDerWaalsContact OG-OG 3.09Å
431	G	80.8	Confident	90.4	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	172	156.2	172.9	0	0	0	0	0	112.3	R400 S410 V429 E458	R400-G431 PolarHBondContact O-N 2.76Å; S410-G431 WeakPolarHBondContact CB-O 3.12Å; S410-G431 PolarHBondContact OG-O 3.25Å; S410-G431 VanDerWaalsContact OG-O 3.11Å; V429-G431 PolarHBondContact O-N 3.5Å; G431-E458 WeakPolarHBondContact CA-OE2 3.31Å
432	G	83	Confident	90.4	Very high	5 Å²	5	21.8 Å²	21.8	5%	0.052	11%	0.114	C	C	.	.	S	Bend	trans	71.9	157.7	-178.7	0	0	0	0	0	115	S410 E458 Q461	S410-G432 PolarHBondContact OG-O 3.24Å; G432-E458 PolarHBondContact N-OE2 2.79Å; G432-Q461 PolarHBondContact O-OE1 3.46Å
433	L	86.4	Confident	90.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	151.9	-163.7	-57.6	-175.8	0	0	0	114	T21 L24 V408 F409 S410 Q461 I463	T21-L433 HydrophobicContact CG2-CD1 4.06Å; L24-L433 HydrophobicContact CB-CD1 4.26Å; L24-L433 HydrophobicContact CB-CD2 4.33Å; V408-L433 HydrophobicContact CG1-CB 4.28Å; V408-L433 HydrophobicContact CG1-CD1 3.77Å; V408-L433 HydrophobicContact CG1-CG 4.18Å; V408-L433 PolarHBondContact O-N 3.03Å; F409-L433 CarbonylContact C-O 3.54Å; F409-L433 VanDerWaalsContact CA-O 3.22Å; F409-L433 WeakPolarHBondContact CA-O 3.26Å; F409-L433 HydrophobicContact CD1-CB 3.66Å; F409-L433 HydrophobicContact CE1-CB 3.89Å; F409-L433 HydrophobicContact CE1-CD1 4.32Å; S410-L433 PolarHBondContact N-O 3.46Å; S410-L433 PolarHBondContact OG-O 3.03Å; L433-Q461 HydrophobicContact CD2-CB 3.78Å; L433-Q461 HydrophobicContact CD2-CG 3.85Å; L433-I463 HydrophobicContact CD1-CD1 4.42Å
434	V	90.7	Very high	90.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.9	169.5	-179.9	0	0	0	0	110.3	L411 V429 L436 W450 L454 Q461 R462 I463	L411-V434 HydrophobicContact CB-CG1 4.22Å; L411-V434 HydrophobicContact CB-CG2 4.15Å; L411-V434 HydrophobicContact CD2-CG1 4.14Å; L411-V434 HydrophobicContact CG-CG1 4.29Å; L411-V434 CarbonylContact O-C 3.5Å; L411-V434 VanDerWaalsContact O-CA 3.26Å; L411-V434 WeakPolarHBondContact O-CA 3.37Å; V429-V434 HydrophobicContact CG1-CG2 4.06Å; V434-L436 HydrophobicContact CG1-CG 4.35Å; V434-W450 HydrophobicContact CG1-CH2 4.2Å; V434-W450 HydrophobicContact CG1-CZ3 3.96Å; V434-W450 HydrophobicContact CG2-CZ3 4.39Å; V434-L454 HydrophobicContact CG2-CD2 3.6Å; V434-Q461 PolarHBondContact N-O 3.32Å; V434-R462 HydrophobicContact CB-CG 4.29Å; V434-R462 HydrophobicContact CG1-CG 4.36Å; V434-R462 WeakPolarHBondContact O-CA 3.3Å; V434-I463 PolarHBondContact O-N 3.41Å
435	L	91.4	Very high	90.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.4	176.6	-178.6	66.3	0	0	0	110.5	F409 L411 A412 I413 I463	F409-L435 HydrophobicContact CD1-CB 3.69Å; F409-L435 HydrophobicContact CE1-CB 3.73Å; F409-L435 HydrophobicContact CE1-CD1 4.43Å; F409-L435 HydrophobicContact CE1-CD2 4.35Å; F409-L435 HydrophobicContact CE1-CG 4.39Å; F409-L435 HydrophobicContact CE2-CD2 4.33Å; F409-L435 HydrophobicContact CG-CB 4.33Å; F409-L435 HydrophobicContact CZ-CB 4.37Å; F409-L435 HydrophobicContact CZ-CD2 4.15Å; L411-L435 PolarHBondContact O-N 3.24Å; A412-L435 WeakPolarHBondContact CA-O 3.06Å; A412-L435 HydrophobicContact CB-CB 4.16Å; I413-L435 PolarHBondContact N-O 2.86Å; L435-I463 HydrophobicContact CD1-CB 3.89Å; L435-I463 HydrophobicContact CD1-CG2 3.68Å
436	L	92.7	Very high	89.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	99.2	168.6	-57	177.7	0	0	0	107.6	I413 V434 T445 W450 I463 V464 S465 N467	I413-L436 HydrophobicContact CB-CD2 3.97Å; I413-L436 HydrophobicContact CD1-CD2 4.02Å; I413-L436 HydrophobicContact CG1-CD2 4.3Å; I413-L436 WeakPolarHBondContact O-CA 3.13Å; V434-L436 HydrophobicContact CG1-CG 4.35Å; L436-T445 HydrophobicContact CD1-CG2 3.86Å; L436-W450 HydrophobicContact CD1-CH2 4.35Å; L436-W450 HydrophobicContact CD1-CZ2 4.01Å; L436-I463 PolarHBondContact N-O 3.46Å; L436-V464 HydrophobicContact CB-CG1 4.48Å; L436-V464 HydrophobicContact CB-CG2 4.28Å; L436-V464 HydrophobicContact CD1-CG2 4.27Å; L436-V464 WeakPolarHBondContact O-CA 3.46Å; L436-S465 PolarHBondContact O-N 3.09Å; L436-N467 PolarHBondContact O-ND2 3.05Å
437	Y	91.4	Very high	89.5	Confident	35 Å²	35	24.9 Å²	24.9	14%	0.137	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.8	-168.2	175.3	-112.2	0	0	0	114.2	N17 I413 Q414 N415 N439 S465 L466	N17-Y437 WeakPolarHBondContact ND2-CD2 3.38Å; I413-Y437 PolarHBondContact O-N 2.95Å; I413-Y437 VanDerWaalsContact O-N 3.1Å; Q414-Y437 CarbonylContact C-O 3.55Å; Q414-Y437 WeakPolarHBondContact CA-O 2.88Å; Q414-Y437 HydrophobicContact CB-CD1 4.22Å; Q414-Y437 VanDerWaalsContact CB-O 3.3Å; Q414-Y437 WeakPolarHBondContact CB-O 3.32Å; N415-Y437 PolarHBondContact N-O 2.89Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact N-ND2 3.02Å; Y437-N439 PolarHBondContact O-N 2.65Å; Y437-N439 PolarHBondContact O-ND2 3.15Å; Y437-N439 VanDerWaalsContact O-ND2 3.17Å; Y437-S465 WeakPolarHBondContact CA-O 3.48Å; Y437-S465 WeakPolarHBondContact CD2-OG 3.42Å; Y437-L466 HydrophobicContact CE2-CB 4.35Å; Y437-L466 HydrophobicContact CE2-CD1 3.63Å; Y437-L466 HydrophobicContact CE2-CG 4.01Å
438	N	91.7	Very high	89.5	Confident	64 Å²	64	20.1 Å²	20.1	34%	0.342	11%	0.113	S	C	.	.	S	Bend	trans	57.9	38.6	173.3	-166.9	34.2	0	0	0	114.2	N415 S465 L466 N467	N415-N438 WeakPolarHBondContact CA-O 3.44Å; N415-N438 PolarHBondContact OD1-ND2 2.9Å; N438-S465 PolarHBondContact N-O 3.09Å; N438-L466 CarbonylContact C-O 3.5Å; N438-L466 VanDerWaalsContact CA-O 3.3Å; N438-L466 WeakPolarHBondContact CA-O 3.33Å; N438-L466 HydrophobicContact CB-CB 4.15Å; N438-N467 PolarHBondContact N-OD1 2.98Å
439	N	93.6	Very high	89.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.			trans	-102	87.2	176.8	-51.9	-78.7	0	0	0	110.1	I413 L416 Y437 E441 L442 L466 N467	I413-N439 PolarHBondContact O-ND2 3.02Å; L416-N439 WeakPolarHBondContact CB-OD1 3.17Å; L416-N439 PolarHBondContact N-OD1 2.88Å; L416-N439 VanDerWaalsContact O-CA 3.26Å; L416-N439 WeakPolarHBondContact O-CA 3.28Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact N-ND2 3.02Å; Y437-N439 PolarHBondContact O-N 2.65Å; Y437-N439 PolarHBondContact O-ND2 3.15Å; Y437-N439 VanDerWaalsContact O-ND2 3.17Å; N439-E441 VanDerWaalsContact C-N 3.26Å; N439-E441 PolarHBondContact O-N 2.94Å; N439-E441 VanDerWaalsContact O-N 3.1Å; N439-L442 HydrophobicContact CB-CB 3.65Å; N439-L442 HydrophobicContact CB-CD2 3.8Å; N439-L442 HydrophobicContact CB-CG 4.39Å; N439-L442 WeakPolarHBondContact O-CB 2.77Å; N439-L442 PolarHBondContact O-N 3.16Å; N439-L442 VanDerWaalsContact O-N 3.09Å; N439-L466 PolarHBondContact N-O 3.29Å; N439-N467 VanDerWaalsContact CB-OD1 3.28Å; N439-N467 WeakPolarHBondContact CB-OD1 3.35Å; N439-N467 PolarHBondContact N-OD1 3.29Å; N439-N467 PolarHBondContact ND2-OD1 3.1Å; N439-N467 WeakPolarHBondContact O-CA 3.43Å
440	S	91.1	Very high	89.4	Confident	59 Å²	59	21.9 Å²	21.9	41%	0.413	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.2	-162.9	55.9	0	0	0	0	116.5	H417	H417-S440 PolarHBondContact ND1-OG 2.85Å
441	E	93.4	Very high	89.5	Confident	59 Å²	59	26.2 Å²	26.2	28%	0.276	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-5.5	177	-80.5	-140.2	-133.1	0	0	114.9	I418 Q419 N439 C443 R478	I418-E441 CarbonylContact O-C 3.57Å; I418-E441 VanDerWaalsContact O-C 3.3Å; Q419-E441 WeakPolarHBondContact CA-O 3.36Å; Q419-E441 HydrophobicContact CG-CB 4.16Å; Q419-E441 PolarHBondContact NE2-OE2 3.1Å; N439-E441 VanDerWaalsContact C-N 3.26Å; N439-E441 PolarHBondContact O-N 2.94Å; N439-E441 VanDerWaalsContact O-N 3.1Å; E441-C443 PolarHBondContact O-N 3.35Å; E441-R478 PolarHBondContact O-NH1 2.82Å; E441-R478 IonicContact OE2-CZ 3.4Å; E441-R478 VanDerWaalsContact OE2-CZ 3.25Å; E441-R478 IonicContact OE2-NH1 3.45Å; E441-R478 PolarHBondContact OE2-NH1 3.19Å; E441-R478 IonicContact OE2-NH2 3.35Å; E441-R478 PolarHBondContact OE2-NH2 3.44Å
442	L	95.1	Very high	89.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.			trans	-73.4	118.4	-167.8	179.1	58.4	0	0	0	112.1	I418 L421 N439 T445 R468	I418-L442 HydrophobicContact CD1-CD1 4.33Å; I418-L442 HydrophobicContact CG1-CD1 4.29Å; I418-L442 VanDerWaalsContact O-CA 3.3Å; I418-L442 WeakPolarHBondContact O-CA 2.93Å; I418-L442 PolarHBondContact O-N 3.18Å; I418-L442 VanDerWaalsContact O-N 3.13Å; L421-L442 HydrophobicContact CD2-CD1 3.95Å; L421-L442 HydrophobicContact CD2-CD2 4.04Å; L421-L442 HydrophobicContact CG-CD1 4.16Å; N439-L442 HydrophobicContact CB-CB 3.65Å; N439-L442 HydrophobicContact CB-CD2 3.8Å; N439-L442 HydrophobicContact CB-CG 4.39Å; N439-L442 WeakPolarHBondContact O-CB 2.77Å; N439-L442 PolarHBondContact O-N 3.16Å; N439-L442 VanDerWaalsContact O-N 3.09Å; L442-T445 HydrophobicContact CD1-CG2 4.07Å; L442-T445 HydrophobicContact CD2-CG2 3.81Å; L442-T445 HydrophobicContact CG-CG2 3.77Å; L442-R468 WeakPolarHBondContact O-CB 3.41Å
443	C	93.9	Very high	89.9	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.014	18%	0.184	C	C	.	.			trans	-114.3	-170.6	174.3	-70.2	0	0	0	0	111.2	Q419 E441 T445 C473 R478	Q419-C443 PolarHBondContact O-N 3.03Å; E441-C443 PolarHBondContact O-N 3.35Å; C443-T445 PolarHBondContact O-N 3.04Å; C443-C473 VanDerWaalsContact CA-SG 3.58Å; C443-C473 HydrophobicContact CB-CB 3.76Å; C443-C473 WeakPolarHBondContact CB-SG 3.44Å; C443-C473 WeakPolarHBondContact SG-CB 3.35Å; C443-C473 CovalentContact SG-SG 2.04Å; C443-C473 PolarHBondContact SG-SG 3.38Å; C443-R478 HydrophobicContact CB-CB 3.96Å; C443-R478 WeakPolarHBondContact SG-CD 3.33Å
444	Y	92.3	Very high	89.8	Confident	31 Å²	31	30.9 Å²	30.9	12%	0.122	19%	0.187	C	C	.	.	S	Bend	trans	67.9	-22.4	176.2	-44.5	-88	0	0	0	116.1	D446 S447 R478	Y444-D446 VanDerWaalsContact C-N 3.26Å; Y444-D446 PolarHBondContact O-N 3.38Å; Y444-D446 VanDerWaalsContact O-N 3.1Å; Y444-S447 WeakPolarHBondContact O-CB 3.05Å; Y444-S447 PolarHBondContact O-N 2.88Å; Y444-S447 PolarHBondContact O-OG 3.13Å; Y444-R478 WeakPolarHBondContact CE1-O 3.39Å; Y444-R478 HydrophobicContact CE2-CB 4.31Å; Y444-R478 WeakPolarHBondContact OH-CA 3.43Å
445	T	89.7	Confident	88.9	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-52	-34.9	-174.1	43.3	0	0	0	0	115.5	L421 L436 L442 C443 W450	L421-T445 HydrophobicContact CD1-CG2 4.19Å; L421-T445 HydrophobicContact CG-CG2 4.33Å; L436-T445 HydrophobicContact CD1-CG2 3.86Å; L442-T445 HydrophobicContact CD1-CG2 4.07Å; L442-T445 HydrophobicContact CD2-CG2 3.81Å; L442-T445 HydrophobicContact CG-CG2 3.77Å; C443-T445 PolarHBondContact O-N 3.04Å; T445-W450 PolarHBondContact O-NE1 3.12Å
446	D	86.8	Confident	87.3	Confident	76 Å²	76	37.9 Å²	37.9	41%	0.406	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-96.3	-0.1	-173.8	-57.6	-72.1	0	0	0	113.3	Y444 L448 R462	Y444-D446 VanDerWaalsContact C-N 3.26Å; Y444-D446 PolarHBondContact O-N 3.38Å; Y444-D446 VanDerWaalsContact O-N 3.1Å; D446-L448 VanDerWaalsContact C-N 3.33Å; D446-R462 IonicContact OD1-CZ 3.48Å; D446-R462 VanDerWaalsContact OD1-CZ 3.26Å; D446-R462 IonicContact OD1-NH1 2.7Å; D446-R462 PolarHBondContact OD1-NH1 2.91Å; D446-R462 IonicContact OD1-NH2 3.57Å; D446-R462 PolarHBondContact OD1-NH2 3.28Å
447	S	87.4	Confident	85.6	Confident	50 Å²	50	43 Å²	43	35%	0.35	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-78.8	-19.3	164.2	76.2	0	0	0	0	113	Y444 C480 G487 C488	Y444-S447 WeakPolarHBondContact O-CB 3.05Å; Y444-S447 PolarHBondContact O-N 2.88Å; Y444-S447 PolarHBondContact O-OG 3.13Å; S447-C480 PolarHBondContact OG-SG 2.77Å; S447-C480 VanDerWaalsContact OG-SG 3.33Å; S447-G487 VanDerWaalsContact O-CA 3.27Å; S447-G487 WeakPolarHBondContact O-CA 2.84Å; S447-C488 PolarHBondContact OG-N 2.93Å; S447-C488 PolarHBondContact OG-O 2.04Å
448	L	89.9	Confident	83.8	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	-77.7	145	-171.3	-69.3	168.9	0	0	0	112.2	D446 W450 I453 C488 W489 V497	D446-L448 VanDerWaalsContact C-N 3.33Å; L448-W450 VanDerWaalsContact C-N 3.26Å; L448-W450 HydrophobicContact CD1-CZ2 3.89Å; L448-W450 PolarHBondContact O-N 3.08Å; L448-I453 HydrophobicContact CB-CD1 4.43Å; L448-C488 WeakPolarHBondContact CD2-O 3.22Å; L448-W489 HydrophobicContact CD1-CD2 3.95Å; L448-W489 HydrophobicContact CD1-CE3 3.54Å; L448-W489 HydrophobicContact CD1-CH2 3.94Å; L448-W489 HydrophobicContact CD1-CZ2 4.31Å; L448-W489 HydrophobicContact CD1-CZ3 3.54Å; L448-W489 HydrophobicContact CD2-CD2 3.72Å; L448-W489 HydrophobicContact CD2-CE3 4.21Å; L448-W489 HydrophobicContact CD2-CG 3.97Å; L448-W489 HydrophobicContact CD2-CZ2 4.09Å; L448-V497 HydrophobicContact CD2-CG2 3.55Å
449	P	88.7	Confident	81.9	Confident	39 Å²	39	43.6 Å²	43.6	25%	0.253	27%	0.274	S	S	.	.			trans	-85.4	68.1	-175.7	35.7	-32.1	0	0	0	110	A451 S452 I453 G486 V497	P449-A451 PolarHBondContact O-N 3.45Å; P449-S452 PolarHBondContact O-N 3.39Å; P449-S452 PolarHBondContact O-OG 2.97Å; P449-I453 HydrophobicContact CG-CD1 4.36Å; P449-I453 PolarHBondContact O-N 2.9Å; P449-G486 VanDerWaalsContact CD-O 3.27Å; P449-G486 WeakPolarHBondContact CD-O 3.42Å; P449-V497 HydrophobicContact CG-CG1 4.03Å
450	W	86.6	Confident	79.9	Confident	19 Å²	19	48.5 Å²	48.5	7%	0.072	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-28.3	-176.2	-70.1	96.5	0	0	0	113.6	V434 L436 T445 L448 S452 I453 L454 R462 W489	V434-W450 HydrophobicContact CG1-CH2 4.2Å; V434-W450 HydrophobicContact CG1-CZ3 3.96Å; V434-W450 HydrophobicContact CG2-CZ3 4.39Å; L436-W450 HydrophobicContact CD1-CH2 4.35Å; L436-W450 HydrophobicContact CD1-CZ2 4.01Å; T445-W450 PolarHBondContact O-NE1 3.12Å; L448-W450 VanDerWaalsContact C-N 3.26Å; L448-W450 HydrophobicContact CD1-CZ2 3.89Å; L448-W450 PolarHBondContact O-N 3.08Å; W450-S452 VanDerWaalsContact C-N 3.26Å; W450-S452 PolarHBondContact O-N 3.15Å; W450-I453 HydrophobicContact CE3-CG2 4.49Å; W450-I453 PolarHBondContact O-N 3.49Å; W450-L454 HydrophobicContact CB-CD1 4.13Å; W450-L454 HydrophobicContact CE3-CD1 4.37Å; W450-L454 HydrophobicContact CE3-CG 4.34Å; W450-L454 VanDerWaalsContact O-CB 3.27Å; W450-L454 WeakPolarHBondContact O-CB 3.4Å; W450-L454 VanDerWaalsContact O-CG 3.25Å; W450-L454 WeakPolarHBondContact O-CG 3.5Å; W450-L454 PolarHBondContact O-N 3.1Å; W450-R462 VanDerWaalsContact CD1-NH1 3.31Å; W450-R462 VanDerWaalsContact CD2-CD 3.49Å; W450-W489 HydrophobicContact CH2-CH2 4.45Å; W450-W489 HydrophobicContact CH2-CZ3 4.47Å
451	A	83.1	Confident	78.8	Confident	91 Å²	91	46.3 Å²	46.3	75%	0.752	29%	0.289	S	S	*	.	H	α-helix	trans	-69.5	-13.9	175.7	0	0	0	0	0	115.1	P449	P449-A451 PolarHBondContact O-N 3.45Å
452	S	84	Confident	78.5	Confident	86 Å²	86	46.9 Å²	46.9	60%	0.601	29%	0.289	S	S	*	.	H	α-helix	trans	-106.8	-17.5	169.9	64.3	0	0	0	0	113.4	P449 W450	P449-S452 PolarHBondContact O-N 3.39Å; P449-S452 PolarHBondContact O-OG 2.97Å; W450-S452 VanDerWaalsContact C-N 3.26Å; W450-S452 PolarHBondContact O-N 3.15Å
453	I	87.5	Confident	78	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-80.5	-40.2	173.9	-61.9	162.5	0	0	0	110.5	S428 V429 L448 P449 W450 W489	S428-I453 CarbonylContact C-O 3.47Å; S428-I453 WeakPolarHBondContact CA-O 3.29Å; V429-I453 HydrophobicContact CG2-CG2 4.01Å; V429-I453 PolarHBondContact N-O 2.87Å; L448-I453 HydrophobicContact CB-CD1 4.43Å; P449-I453 HydrophobicContact CG-CD1 4.36Å; P449-I453 PolarHBondContact O-N 2.9Å; W450-I453 HydrophobicContact CE3-CG2 4.49Å; W450-I453 PolarHBondContact O-N 3.49Å; I453-W489 HydrophobicContact CD1-CH2 3.98Å; I453-W489 HydrophobicContact CD1-CZ2 3.7Å
454	L	84.9	Confident	77.7	Confident	16 Å²	16	49.5 Å²	49.5	8%	0.084	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-85.6	145.3	177.4	-58.9	167.1	0	0	0	110.3	V429 V434 W450 Q461 R462	V429-L454 HydrophobicContact CB-CD2 4.16Å; V429-L454 HydrophobicContact CG1-CD2 4.33Å; V434-L454 HydrophobicContact CG2-CD2 3.6Å; W450-L454 HydrophobicContact CB-CD1 4.13Å; W450-L454 HydrophobicContact CE3-CD1 4.37Å; W450-L454 HydrophobicContact CE3-CG 4.34Å; W450-L454 VanDerWaalsContact O-CB 3.27Å; W450-L454 WeakPolarHBondContact O-CB 3.4Å; W450-L454 VanDerWaalsContact O-CG 3.25Å; W450-L454 WeakPolarHBondContact O-CG 3.5Å; W450-L454 PolarHBondContact O-N 3.1Å; L454-Q461 HydrophobicContact CD1-CB 4.26Å; L454-Q461 HydrophobicContact CD2-CB 4.28Å; L454-R462 HydrophobicContact CD1-CB 4.2Å
455	H	72.5	Confident	77.4	Confident	40 Å²	40	49.4 Å²	49.4	19%	0.185	31%	0.308	C	S	.	.			trans	-71.4	128	-178.1	-164.9	-106.7	0	0	0	112.3	Y261 T457 E458	Y261-H455 AromaticContact CD1-CD2 3.95Å; Y261-H455 AromaticContact CD1-CE1 3.59Å; Y261-H455 AromaticContact CD1-CG 3.74Å; Y261-H455 AromaticContact CD1-ND1 3.52Å; Y261-H455 AromaticContact CD1-NE2 3.89Å; Y261-H455 AromaticContact CD2-CE1 3.97Å; Y261-H455 AromaticContact CD2-NE2 3.82Å; Y261-H455 HydrophobicContact CE1-CB 3.96Å; Y261-H455 AromaticContact CE1-CD2 3.37Å; Y261-H455 WeakPolarHBondContact CE1-CD2 3.45Å; Y261-H455 AromaticContact CE1-CE1 3.84Å; Y261-H455 AromaticContact CE1-CG 3.37Å; Y261-H455 AromaticContact CE1-ND1 3.68Å; Y261-H455 AromaticContact CE1-NE2 3.7Å; Y261-H455 AromaticContact CE2-CD2 3.93Å; Y261-H455 AromaticContact CE2-NE2 3.63Å; Y261-H455 AromaticContact CG-CE1 3.66Å; Y261-H455 AromaticContact CG-NE2 3.94Å; Y261-H455 AromaticContact CZ-CD2 3.35Å; Y261-H455 AromaticContact CZ-CG 3.88Å; Y261-H455 AromaticContact CZ-NE2 3.56Å; H455-T457 PolarHBondContact CE1-OG1 3.1Å; H455-T457 PolarHBondContact ND1-OG1 2.02Å; H455-T457 PolarHBondContact O-N 2.89Å; H455-E458 PolarHBondContact O-N 3.45Å
456	P	57.7	Low	77.3	Confident	110 Å²	110	53.7 Å²	53.7	71%	0.714	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-61.3	-20.3	-169.6	-27.9	35.8	0	0	0	116.4
457	T	55.5	Low	77.5	Confident	106 Å²	106	51.4 Å²	51.4	65%	0.65	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-83.9	-8.3	-173.4	61.4	0	0	0	0	114.7	H455	H455-T457 PolarHBondContact CE1-OG1 3.1Å; H455-T457 PolarHBondContact ND1-OG1 2.02Å; H455-T457 PolarHBondContact O-N 2.89Å
458	E	54	Low	77.7	Confident	70 Å²	70	51.8 Å²	51.8	33%	0.327	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-112.3	13.2	-173.9	-50.6	-161.6	166.4	0	0	114.8	G431 G432 H455 Q461	G431-E458 WeakPolarHBondContact CA-OE2 3.31Å; G432-E458 PolarHBondContact N-OE2 2.79Å; H455-E458 PolarHBondContact O-N 3.45Å; E458-Q461 HydrophobicContact CB-CG 4.16Å; E458-Q461 VanDerWaalsContact O-CG 3.26Å; E458-Q461 WeakPolarHBondContact O-CG 3.46Å; E458-Q461 PolarHBondContact O-NE2 2.9Å; E458-Q461 PolarHBondContact OE2-NE2 2.69Å; E458-Q461 PolarHBondContact OE2-OE1 2.84Å
459	G	51.7	Low	77.8	Confident	43 Å²	43	56.8 Å²	56.8	44%	0.443	34%	0.335	S	S	.	.			trans	81	-165.7	171.5	0	0	0	0	0	115.4	Q461	G459-Q461 VanDerWaalsContact C-N 3.31Å; G459-Q461 WeakPolarHBondContact O-CG 3.49Å; G459-Q461 PolarHBondContact O-N 3.45Å
460	P	52.1	Low	77.8	Confident	102 Å²	102	58.1 Å²	58.1	66%	0.662	34%	0.344	S	S	*	.			trans	-77.1	76.8	-175.5	28.4	-30.4	0	0	0	112	L24 R462	L24-P460 HydrophobicContact CD2-CG 3.77Å; P460-R462 PolarHBondContact O-N 3.19Å
461	Q	68.4	Low	78	Confident	13 Å²	13	59 Å²	59	6%	0.061	35%	0.353	C	S	.	.			trans	-78.4	32.9	-169	-65.1	-150	-36.5	0	0	116.4	G432 L433 V434 L454 E458 G459	G432-Q461 PolarHBondContact O-OE1 3.46Å; L433-Q461 HydrophobicContact CD2-CB 3.78Å; L433-Q461 HydrophobicContact CD2-CG 3.85Å; V434-Q461 PolarHBondContact N-O 3.32Å; L454-Q461 HydrophobicContact CD1-CB 4.26Å; L454-Q461 HydrophobicContact CD2-CB 4.28Å; E458-Q461 HydrophobicContact CB-CG 4.16Å; E458-Q461 VanDerWaalsContact O-CG 3.26Å; E458-Q461 WeakPolarHBondContact O-CG 3.46Å; E458-Q461 PolarHBondContact O-NE2 2.9Å; E458-Q461 PolarHBondContact OE2-NE2 2.69Å; E458-Q461 PolarHBondContact OE2-OE1 2.84Å; G459-Q461 VanDerWaalsContact C-N 3.31Å; G459-Q461 WeakPolarHBondContact O-CG 3.49Å; G459-Q461 PolarHBondContact O-N 3.45Å
462	R	85.8	Confident	78.6	Confident	71 Å²	71	56.6 Å²	56.6	27%	0.268	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	119.7	-176.7	-162.6	-172	69.9	140.7	8.6	112.9	V434 D446 W450 L454 P460 V464	V434-R462 HydrophobicContact CB-CG 4.29Å; V434-R462 HydrophobicContact CG1-CG 4.36Å; V434-R462 WeakPolarHBondContact O-CA 3.3Å; D446-R462 IonicContact OD1-CZ 3.48Å; D446-R462 VanDerWaalsContact OD1-CZ 3.26Å; D446-R462 IonicContact OD1-NH1 2.7Å; D446-R462 PolarHBondContact OD1-NH1 2.91Å; D446-R462 IonicContact OD1-NH2 3.57Å; D446-R462 PolarHBondContact OD1-NH2 3.28Å; W450-R462 VanDerWaalsContact CD1-NH1 3.31Å; W450-R462 VanDerWaalsContact CD2-CD 3.49Å; L454-R462 HydrophobicContact CD1-CB 4.2Å; P460-R462 PolarHBondContact O-N 3.19Å; R462-V464 HydrophobicContact CG-CG2 3.72Å
463	I	86	Confident	79	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.8	171.6	-60.1	-179.3	0	0	0	108.6	N17 T21 L24 F409 L433 V434 L435 L436	N17-I463 HydrophobicContact CB-CG2 3.86Å; T21-I463 VanDerWaalsContact OG1-CD1 3.26Å; T21-I463 WeakPolarHBondContact OG1-CD1 3.44Å; L24-I463 HydrophobicContact CD1-CD1 4.24Å; L24-I463 HydrophobicContact CD1-CG1 3.91Å; F409-I463 HydrophobicContact CE1-CD1 4.3Å; L433-I463 HydrophobicContact CD1-CD1 4.42Å; V434-I463 PolarHBondContact O-N 3.41Å; L435-I463 HydrophobicContact CD1-CB 3.89Å; L435-I463 HydrophobicContact CD1-CG2 3.68Å; L436-I463 PolarHBondContact N-O 3.46Å
464	V	87.1	Confident	79.2	Confident	47 Å²	47	58.9 Å²	58.9	29%	0.285	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	111.9	-179.7	-173	0	0	0	0	109.4	L436 R462 N467	L436-V464 HydrophobicContact CB-CG1 4.48Å; L436-V464 HydrophobicContact CB-CG2 4.28Å; L436-V464 HydrophobicContact CD1-CG2 4.27Å; L436-V464 WeakPolarHBondContact O-CA 3.46Å; R462-V464 HydrophobicContact CG-CG2 3.72Å; V464-N467 WeakPolarHBondContact CG1-ND2 3.37Å
465	S	85.8	Confident	79.6	Confident	29 Å²	29	65.6 Å²	65.6	20%	0.203	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.7	174.5	59.4	0	0	0	0	112	N17 L436 Y437 N438 N467	N17-S465 PolarHBondContact ND2-OG 2.64Å; N17-S465 PolarHBondContact OD1-OG 2.9Å; L436-S465 PolarHBondContact O-N 3.09Å; Y437-S465 WeakPolarHBondContact CA-O 3.48Å; Y437-S465 WeakPolarHBondContact CD2-OG 3.42Å; N438-S465 PolarHBondContact N-O 3.09Å; S465-N467 PolarHBondContact O-N 3.11Å; S465-N467 VanDerWaalsContact O-N 3.08Å
466	L	86.9	Confident	80.6	Confident	93 Å²	93	68 Å²	68	49%	0.487	37%	0.37	S	S	.	.	S	Bend	trans	55.8	19.8	-176.2	-52.2	-175.1	0	0	0	115.7	Y437 N438 N439	Y437-L466 HydrophobicContact CE2-CB 4.35Å; Y437-L466 HydrophobicContact CE2-CD1 3.63Å; Y437-L466 HydrophobicContact CE2-CG 4.01Å; N438-L466 CarbonylContact C-O 3.5Å; N438-L466 VanDerWaalsContact CA-O 3.3Å; N438-L466 WeakPolarHBondContact CA-O 3.33Å; N438-L466 HydrophobicContact CB-CB 4.15Å; N439-L466 PolarHBondContact N-O 3.29Å
467	N	91.1	Very high	82.2	Confident	28 Å²	28	73 Å²	73	15%	0.15	38%	0.375	C	S	.	.	S	Bend	trans	-88.4	177.2	166.4	-51.3	-48.2	0	0	0	110.5	L436 N438 N439 V464 S465	L436-N467 PolarHBondContact O-ND2 3.05Å; N438-N467 PolarHBondContact N-OD1 2.98Å; N439-N467 VanDerWaalsContact CB-OD1 3.28Å; N439-N467 WeakPolarHBondContact CB-OD1 3.35Å; N439-N467 PolarHBondContact N-OD1 3.29Å; N439-N467 PolarHBondContact ND2-OD1 3.1Å; N439-N467 WeakPolarHBondContact O-CA 3.43Å; V464-N467 WeakPolarHBondContact CG1-ND2 3.37Å; S465-N467 PolarHBondContact O-N 3.11Å; S465-N467 VanDerWaalsContact O-N 3.08Å
468	R	92.4	Very high	83.9	Confident	57 Å²	57	69.9 Å²	69.9	22%	0.215	35%	0.351	C	S	.	.			trans	-69.2	133.9	-178.3	-161.8	160.2	-173	157.7	2.3	112.2	L442 E476	L442-R468 WeakPolarHBondContact O-CB 3.41Å; R468-E476 IonicContact CZ-OE1 3.28Å; R468-E476 IonicContact CZ-OE2 3.15Å; R468-E476 IonicContact NH1-OE1 2.76Å; R468-E476 IonicContact NH1-OE2 2.73Å; R468-E476 PolarHBondContact NH1-OE2 3.45Å; R468-E476 IonicContact NH2-OE1 3.44Å; R468-E476 PolarHBondContact NH2-OE1 2.95Å; R468-E476 IonicContact NH2-OE2 3.2Å; R468-E476 PolarHBondContact NH2-OE2 2.87Å
469	E	91.4	Very high	85.8	Confident	115 Å²	115	70.1 Å²	70.1	54%	0.537	36%	0.357	S	S	.	.			trans	-65.2	132.8	-177.7	-165.9	-158	133.4	0	0	111.6	S471 V472 C473	E469-S471 VanDerWaalsContact C-N 3.28Å; E469-S471 PolarHBondContact O-N 2.92Å; E469-S471 WeakPolarHBondContact OE1-CB 3.34Å; E469-S471 PolarHBondContact OE1-OG 3.35Å; E469-V472 HydrophobicContact CB-CG2 4.15Å; E469-V472 WeakPolarHBondContact O-CB 3.13Å; E469-V472 PolarHBondContact O-N 3.27Å; E469-C473 PolarHBondContact O-N 2.85Å
470	P	89.6	Confident	87.8	Confident	68 Å²	68	69.8 Å²	69.8	44%	0.442	35%	0.348	S	S	.	.	H	α-helix	trans	-53.2	-39.7	179.7	-30.4	36.3	0	0	0	114.4	V472 C473 E474	P470-V472 PolarHBondContact O-N 2.62Å; P470-V472 VanDerWaalsContact O-N 3.14Å; P470-C473 WeakPolarHBondContact O-CB 3.34Å; P470-C473 PolarHBondContact O-N 3.5Å; P470-C473 VanDerWaalsContact O-N 3.11Å; P470-E474 PolarHBondContact O-N 3.14Å
471	S	91.3	Very high	89.8	Confident	36 Å²	36	68.1 Å²	68.1	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-66.7	-16.2	179.2	96.2	0	0	0	0	113.6	E469 K475	E469-S471 VanDerWaalsContact C-N 3.28Å; E469-S471 PolarHBondContact O-N 2.92Å; E469-S471 WeakPolarHBondContact OE1-CB 3.34Å; E469-S471 PolarHBondContact OE1-OG 3.35Å; S471-K475 WeakPolarHBondContact O-CD 3.42Å; S471-K475 WeakPolarHBondContact O-CE 3.19Å; S471-K475 WeakPolarHBondContact O-CG 3.36Å; S471-K475 PolarHBondContact O-NZ 2.99Å; S471-K475 PolarHBondContact OG-NZ 3.17Å
472	V	94	Very high	91	Very high	41 Å²	41	72.5 Å²	72.5	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-88.6	-40.6	172.9	-179.3	0	0	0	0	110.1	E469 P470 E474 K475 E476	E469-V472 HydrophobicContact CB-CG2 4.15Å; E469-V472 WeakPolarHBondContact O-CB 3.13Å; E469-V472 PolarHBondContact O-N 3.27Å; P470-V472 PolarHBondContact O-N 2.62Å; P470-V472 VanDerWaalsContact O-N 3.14Å; V472-E474 VanDerWaalsContact C-N 3.3Å; V472-E474 PolarHBondContact O-N 2.98Å; V472-K475 PolarHBondContact O-N 2.83Å; V472-E476 PolarHBondContact O-N 3.39Å
473	C	93.6	Very high	91.4	Very high	7 Å²	7	70.2 Å²	70.2	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-56.5	-43.3	172.9	-61.7	0	0	0	0	111.7	C443 E469 P470 E476 R477 R478	C443-C473 VanDerWaalsContact CA-SG 3.58Å; C443-C473 HydrophobicContact CB-CB 3.76Å; C443-C473 WeakPolarHBondContact CB-SG 3.44Å; C443-C473 WeakPolarHBondContact SG-CB 3.35Å; C443-C473 CovalentContact SG-SG 2.04Å; C443-C473 PolarHBondContact SG-SG 3.38Å; E469-C473 PolarHBondContact O-N 2.85Å; P470-C473 WeakPolarHBondContact O-CB 3.34Å; P470-C473 PolarHBondContact O-N 3.5Å; P470-C473 VanDerWaalsContact O-N 3.11Å; C473-E476 CarbonylContact O-C 3.55Å; C473-E476 PolarHBondContact O-N 2.97Å; C473-R477 PolarHBondContact O-N 3.06Å; C473-R477 VanDerWaalsContact O-N 3.13Å; C473-R478 HydrophobicContact CB-CB 4.2Å; C473-R478 PolarHBondContact O-N 2.81Å
474	E	91.4	Very high	91.8	Very high	134 Å²	134	70.7 Å²	70.7	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-46.4	175.5	-71.8	177.5	172.8	0	0	112.9	P470 V472 E476 R477 V479	P470-E474 PolarHBondContact O-N 3.14Å; V472-E474 VanDerWaalsContact C-N 3.3Å; V472-E474 PolarHBondContact O-N 2.98Å; E474-E476 VanDerWaalsContact C-N 3.3Å; E474-E476 PolarHBondContact O-N 2.98Å; E474-R477 WeakPolarHBondContact O-CA 3.49Å; E474-R477 PolarHBondContact O-N 3.07Å; E474-V479 HydrophobicContact CB-CG1 4.47Å; E474-V479 HydrophobicContact CG-CG1 4.08Å
475	K	93.2	Very high	91.9	Very high	157 Å²	157	73.6 Å²	73.6	68%	0.683	37%	0.368	S	S	*	.	H	α-helix	trans	-61.8	-37.3	177.8	-70.2	164.8	-165.9	131.8	0	112.1	S471 V472 R477	S471-K475 WeakPolarHBondContact O-CD 3.42Å; S471-K475 WeakPolarHBondContact O-CE 3.19Å; S471-K475 WeakPolarHBondContact O-CG 3.36Å; S471-K475 PolarHBondContact O-NZ 2.99Å; S471-K475 PolarHBondContact OG-NZ 3.17Å; V472-K475 PolarHBondContact O-N 2.83Å; K475-R477 PolarHBondContact O-N 3.41Å
476	E	93.1	Very high	91.7	Very high	89 Å²	89	74.2 Å²	74.2	42%	0.416	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2	173.7	-67.9	-165.3	169.5	0	0	114	R468 V472 C473 E474 R478	R468-E476 IonicContact CZ-OE1 3.28Å; R468-E476 IonicContact CZ-OE2 3.15Å; R468-E476 IonicContact NH1-OE1 2.76Å; R468-E476 IonicContact NH1-OE2 2.73Å; R468-E476 PolarHBondContact NH1-OE2 3.45Å; R468-E476 IonicContact NH2-OE1 3.44Å; R468-E476 PolarHBondContact NH2-OE1 2.95Å; R468-E476 IonicContact NH2-OE2 3.2Å; R468-E476 PolarHBondContact NH2-OE2 2.87Å; V472-E476 PolarHBondContact O-N 3.39Å; C473-E476 CarbonylContact O-C 3.55Å; C473-E476 PolarHBondContact O-N 2.97Å; E474-E476 VanDerWaalsContact C-N 3.3Å; E474-E476 PolarHBondContact O-N 2.98Å; E476-R478 HydrophobicContact CB-CG 4.05Å; E476-R478 PolarHBondContact O-N 3.17Å; E476-R478 IonicContact OE2-CZ 3.8Å; E476-R478 VanDerWaalsContact OE2-CZ 3.23Å; E476-R478 IonicContact OE2-NE 2.6Å; E476-R478 PolarHBondContact OE2-NE 3.42Å; E476-R478 IonicContact OE2-NH2 3.94Å; E476-R478 PolarHBondContact OE2-NH2 2.89Å; E476-R478 VanDerWaalsContact OE2-NH2 3.09Å
477	R	91.1	Very high	91.9	Very high	217 Å²	217	70.4 Å²	70.4	82%	0.819	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	24.2	-175	-53	179.8	178.3	-179.4	-1.4	114	C473 E474 K475 V479	C473-R477 PolarHBondContact O-N 3.06Å; C473-R477 VanDerWaalsContact O-N 3.13Å; E474-R477 WeakPolarHBondContact O-CA 3.49Å; E474-R477 PolarHBondContact O-N 3.07Å; K475-R477 PolarHBondContact O-N 3.41Å; R477-V479 PolarHBondContact O-N 3.24Å
478	R	92.3	Very high	92.1	Very high	39 Å²	39	69.1 Å²	69.1	15%	0.147	36%	0.355	C	S	.	.			trans	-77.6	63.4	170.2	-61.4	-176.7	-171	-144.5	1.3	110	E441 C443 Y444 C473 E476	E441-R478 PolarHBondContact O-NH1 2.82Å; E441-R478 IonicContact OE2-CZ 3.4Å; E441-R478 VanDerWaalsContact OE2-CZ 3.25Å; E441-R478 IonicContact OE2-NH1 3.45Å; E441-R478 PolarHBondContact OE2-NH1 3.19Å; E441-R478 IonicContact OE2-NH2 3.35Å; E441-R478 PolarHBondContact OE2-NH2 3.44Å; C443-R478 HydrophobicContact CB-CB 3.96Å; C443-R478 WeakPolarHBondContact SG-CD 3.33Å; Y444-R478 WeakPolarHBondContact CE1-O 3.39Å; Y444-R478 HydrophobicContact CE2-CB 4.31Å; Y444-R478 WeakPolarHBondContact OH-CA 3.43Å; C473-R478 HydrophobicContact CB-CB 4.2Å; C473-R478 PolarHBondContact O-N 2.81Å; E476-R478 HydrophobicContact CB-CG 4.05Å; E476-R478 PolarHBondContact O-N 3.17Å; E476-R478 IonicContact OE2-CZ 3.8Å; E476-R478 VanDerWaalsContact OE2-CZ 3.23Å; E476-R478 IonicContact OE2-NE 2.6Å; E476-R478 PolarHBondContact OE2-NE 3.42Å; E476-R478 IonicContact OE2-NH2 3.94Å; E476-R478 PolarHBondContact OE2-NH2 2.89Å; E476-R478 VanDerWaalsContact OE2-NH2 3.09Å
479	V	92.9	Very high	92.2	Very high	75 Å²	75	66.5 Å²	66.5	46%	0.455	35%	0.346	S	S	.	.			trans	-127.7	163.5	-174.9	-59.8	0	0	0	0	111.6	E474 R477	E474-V479 HydrophobicContact CB-CG1 4.47Å; E474-V479 HydrophobicContact CG-CG1 4.08Å; R477-V479 PolarHBondContact O-N 3.24Å
480	C	94.4	Very high	92.3	Very high	37 Å²	37	61 Å²	61	25%	0.25	32%	0.32	C	S	.	.			trans	-63.7	153.4	-177.4	-60.9	0	0	0	0	113.6	S447 C484 C488	S447-C480 PolarHBondContact OG-SG 2.77Å; S447-C480 VanDerWaalsContact OG-SG 3.33Å; C480-C484 HydrophobicContact CB-CB 4.25Å; C480-C488 WeakPolarHBondContact CA-SG 3.44Å; C480-C488 HydrophobicContact CB-CB 3.77Å; C480-C488 WeakPolarHBondContact CB-SG 3.12Å; C480-C488 WeakPolarHBondContact SG-CB 3.27Å; C480-C488 PolarHBondContact SG-N 2.81Å; C480-C488 CovalentContact SG-SG 2.04Å; C480-C488 PolarHBondContact SG-SG 3.44Å
481	H	94.9	Very high	92.5	Very high	66 Å²	66	61.4 Å²	61.4	31%	0.306	32%	0.322	S	S	.	.			trans	-66.3	144.1	177.5	-166.6	-102.9	0	0	0	111	L483 C484	H481-L483 PolarHBondContact O-N 3.2Å; H481-C484 VanDerWaalsContact O-CB 3.29Å; H481-C484 WeakPolarHBondContact O-CB 3.32Å; H481-C484 PolarHBondContact O-N 3.33Å; H481-C484 PolarHBondContact O-SG 3.07Å
482	P	93.3	Very high	92.5	Very high	106 Å²	106	60.8 Å²	60.8	69%	0.688	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.7	-177.2	-27.1	36.4	0	0	0	116.6
483	L	94.3	Very high	92.5	Very high	22 Å²	22	60.7 Å²	60.7	12%	0.115	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.4	174.4	-56.3	-179.6	0	0	0	113.5	H481 K500 C508 E510	H481-L483 PolarHBondContact O-N 3.2Å; L483-K500 WeakPolarHBondContact O-CB 3.36Å; L483-K500 PolarHBondContact O-N 2.73Å; L483-C508 HydrophobicContact CB-CB 3.94Å; L483-E510 HydrophobicContact CD1-CG 4.02Å; L483-E510 HydrophobicContact CD2-CG 3.62Å; L483-E510 HydrophobicContact CG-CG 4.47Å
484	C	93.3	Very high	92.4	Very high	21 Å²	21	61 Å²	61	14%	0.142	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.6	174.3	-58.9	0	0	0	0	110.6	C480 H481 C496	C480-C484 HydrophobicContact CB-CB 4.25Å; H481-C484 VanDerWaalsContact O-CB 3.29Å; H481-C484 WeakPolarHBondContact O-CB 3.32Å; H481-C484 PolarHBondContact O-N 3.33Å; H481-C484 PolarHBondContact O-SG 3.07Å; C484-C496 WeakPolarHBondContact CA-SG 3.33Å; C484-C496 HydrophobicContact CB-CB 3.49Å; C484-C496 VanDerWaalsContact CB-CB 3.49Å; C484-C496 WeakPolarHBondContact CB-SG 3.11Å; C484-C496 WeakPolarHBondContact SG-CA 3.39Å; C484-C496 WeakPolarHBondContact SG-CB 3.34Å; C484-C496 CovalentContact SG-SG 2.03Å; C484-C496 PolarHBondContact SG-SG 3.16Å
485	E	89.5	Confident	92.6	Very high	109 Å²	109	55.5 Å²	55.5	51%	0.509	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.1	164.2	-175.3	156	-147.8	0	0	108.6	G487 S498 K500	E485-G487 PolarHBondContact O-N 3.32Å; E485-G487 VanDerWaalsContact O-N 3.07Å; E485-S498 WeakPolarHBondContact CB-OG 3.39Å; E485-S498 PolarHBondContact N-O 2.93Å; E485-S498 PolarHBondContact O-N 3.37Å; E485-S498 VanDerWaalsContact O-N 3.07Å; E485-S498 PolarHBondContact O-OG 2.81Å; E485-S498 VanDerWaalsContact O-OG 3.13Å; E485-K500 HydrophobicContact CB-CB 4.27Å
486	G	82.3	Confident	92.6	Very high	42 Å²	42	48.8 Å²	48.8	43%	0.433	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.2	11.1	-178.7	0	0	0	0	0	116.5	P449	P449-G486 VanDerWaalsContact CD-O 3.27Å; P449-G486 WeakPolarHBondContact CD-O 3.42Å
487	G	91.3	Very high	92.5	Very high	13 Å²	13	47.3 Å²	47.3	13%	0.134	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-171.5	177.6	0	0	0	0	0	114.8	S447 E485 V497	S447-G487 VanDerWaalsContact O-CA 3.27Å; S447-G487 WeakPolarHBondContact O-CA 2.84Å; E485-G487 PolarHBondContact O-N 3.32Å; E485-G487 VanDerWaalsContact O-N 3.07Å; G487-V497 PolarHBondContact O-N 2.73Å
488	C	94.1	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.6	179.4	68.7	0	0	0	0	114.1	S447 L448 C480 G490 Q495	S447-C488 PolarHBondContact OG-N 2.93Å; S447-C488 PolarHBondContact OG-O 2.04Å; L448-C488 WeakPolarHBondContact CD2-O 3.22Å; C480-C488 WeakPolarHBondContact CA-SG 3.44Å; C480-C488 HydrophobicContact CB-CB 3.77Å; C480-C488 WeakPolarHBondContact CB-SG 3.12Å; C480-C488 WeakPolarHBondContact SG-CB 3.27Å; C480-C488 PolarHBondContact SG-N 2.81Å; C480-C488 CovalentContact SG-SG 2.04Å; C480-C488 PolarHBondContact SG-SG 3.44Å; C488-G490 PolarHBondContact SG-O 2.9Å; C488-G490 VanDerWaalsContact SG-O 3.38Å; C488-Q495 CarbonylContact C-O 3.57Å; C488-Q495 WeakPolarHBondContact CA-O 3.21Å; C488-Q495 WeakPolarHBondContact CB-O 3.42Å
489	W	94.6	Very high	92.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.011	25%	0.249	C	C	.	.	S	Bend	trans	-86.2	-6.3	178.6	-68.7	97.3	0	0	0	114	L421 G422 L423 L426 L448 W450 I453 Q495	L421-W489 HydrophobicContact CB-CE3 4.03Å; L421-W489 HydrophobicContact CD1-CE3 4.08Å; L421-W489 HydrophobicContact CD1-CZ3 3.83Å; L421-W489 PolarHBondContact N-O 3.15Å; G422-W489 PolarHBondContact N-O 2.79Å; L423-W489 HydrophobicContact CB-CD2 4.28Å; L423-W489 HydrophobicContact CB-CE3 3.83Å; L423-W489 HydrophobicContact CB-CZ3 4.03Å; L423-W489 HydrophobicContact CD1-CZ3 4.37Å; L426-W489 HydrophobicContact CB-CH2 4.12Å; L426-W489 HydrophobicContact CB-CZ2 3.98Å; L426-W489 HydrophobicContact CD2-CH2 3.85Å; L426-W489 HydrophobicContact CD2-CZ3 4.33Å; L426-W489 HydrophobicContact CG-CH2 4.19Å; L426-W489 HydrophobicContact CG-CZ2 4.39Å; L426-W489 VanDerWaalsContact O-CZ2 3.23Å; L426-W489 WeakPolarHBondContact O-CZ2 3.32Å; L448-W489 HydrophobicContact CD1-CD2 3.95Å; L448-W489 HydrophobicContact CD1-CE3 3.54Å; L448-W489 HydrophobicContact CD1-CH2 3.94Å; L448-W489 HydrophobicContact CD1-CZ2 4.31Å; L448-W489 HydrophobicContact CD1-CZ3 3.54Å; L448-W489 HydrophobicContact CD2-CD2 3.72Å; L448-W489 HydrophobicContact CD2-CE3 4.21Å; L448-W489 HydrophobicContact CD2-CG 3.97Å; L448-W489 HydrophobicContact CD2-CZ2 4.09Å; W450-W489 HydrophobicContact CH2-CH2 4.45Å; W450-W489 HydrophobicContact CH2-CZ3 4.47Å; I453-W489 HydrophobicContact CD1-CH2 3.98Å; I453-W489 HydrophobicContact CD1-CZ2 3.7Å; W489-Q495 PolarHBondContact N-O 2.83Å
490	G	94.3	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	169.1	-169.5	-176.7	0	0	0	0	0	112.4	C488 Q495	C488-G490 PolarHBondContact SG-O 2.9Å; C488-G490 VanDerWaalsContact SG-O 3.38Å; G490-Q495 VanDerWaalsContact O-CB 3.3Å; G490-Q495 WeakPolarHBondContact O-CB 3.49Å
491	P	93.2	Very high	92.1	Very high	75 Å²	75	41.8 Å²	41.8	49%	0.487	26%	0.256	S	S	.	.	S	Bend	trans	-73.6	145.6	-176.3	28.3	-34.2	0	0	0	113.9	Q495	P491-Q495 WeakPolarHBondContact O-CG 3.44Å
492	G	92.4	Very high	91.9	Very high	24 Å²	24	41.3 Å²	41.3	25%	0.247	25%	0.253	C	S	.	.	S	Bend	trans	91.8	164.1	169.3	0	0	0	0	0	115.8	G494 Q495	G492-G494 PolarHBondContact O-N 2.85Å; G492-G494 VanDerWaalsContact O-N 3.08Å; G492-Q495 PolarHBondContact O-N 2.98Å
493	P	93.2	Very high	91.7	Very high	39 Å²	39	39.5 Å²	39.5	25%	0.253	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8	-172.9	25.4	-33.3	0	0	0	115	V507 C508	P493-V507 HydrophobicContact CB-CG1 3.93Å; P493-V507 HydrophobicContact CG-CG1 3.9Å; P493-C508 HydrophobicContact CB-CB 4.34Å; P493-C508 WeakPolarHBondContact CB-O 2.99Å; P493-C508 PolarHBondContact O-N 2.85Å
494	G	91.8	Very high	91.5	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.1	175.2	0	0	0	0	0	114.9	R424 G492 T506	R424-G494 WeakPolarHBondContact CD-O 3.15Å; R424-G494 PolarHBondContact NH1-O 2.86Å; G492-G494 PolarHBondContact O-N 2.85Å; G492-G494 VanDerWaalsContact O-N 3.08Å; G494-T506 WeakPolarHBondContact CA-O 3.41Å
495	Q	94.3	Very high	91.2	Very high	18 Å²	18	44.2 Å²	44.2	8%	0.084	27%	0.266	C	S	.	.	S	Bend	trans	-116.3	5.7	-176.9	-69.4	-71.6	-13	0	0	112.8	C488 W489 G490 P491 G492	C488-Q495 CarbonylContact C-O 3.57Å; C488-Q495 WeakPolarHBondContact CA-O 3.21Å; C488-Q495 WeakPolarHBondContact CB-O 3.42Å; W489-Q495 PolarHBondContact N-O 2.83Å; G490-Q495 VanDerWaalsContact O-CB 3.3Å; G490-Q495 WeakPolarHBondContact O-CB 3.49Å; P491-Q495 WeakPolarHBondContact O-CG 3.44Å; G492-Q495 PolarHBondContact O-N 2.98Å
496	C	93.1	Very high	91	Very high	16 Å²	16	43 Å²	43	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	150.6	178.4	-52.1	0	0	0	0	112	C484 S498	C484-C496 WeakPolarHBondContact CA-SG 3.33Å; C484-C496 HydrophobicContact CB-CB 3.49Å; C484-C496 VanDerWaalsContact CB-CB 3.49Å; C484-C496 WeakPolarHBondContact CB-SG 3.11Å; C484-C496 WeakPolarHBondContact SG-CA 3.39Å; C484-C496 WeakPolarHBondContact SG-CB 3.34Å; C484-C496 CovalentContact SG-SG 2.03Å; C484-C496 PolarHBondContact SG-SG 3.16Å; C496-S498 WeakPolarHBondContact CB-O 3.36Å
497	V	90.9	Very high	91.5	Very high	59 Å²	59	43.6 Å²	43.6	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-42.7	172.2	178	0	0	0	0	110.8	L448 P449 G487	L448-V497 HydrophobicContact CD2-CG2 3.55Å; P449-V497 HydrophobicContact CG-CG1 4.03Å; G487-V497 PolarHBondContact O-N 2.73Å
498	S	90.4	Very high	91.6	Very high	52 Å²	52	43.2 Å²	43.2	36%	0.364	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163.5	165	61.5	0	0	0	0	111.3	E485 C496	E485-S498 WeakPolarHBondContact CB-OG 3.39Å; E485-S498 PolarHBondContact N-O 2.93Å; E485-S498 PolarHBondContact O-N 3.37Å; E485-S498 VanDerWaalsContact O-N 3.07Å; E485-S498 PolarHBondContact O-OG 2.81Å; E485-S498 VanDerWaalsContact O-OG 3.13Å; C496-S498 WeakPolarHBondContact CB-O 3.36Å
499	C	91.9	Very high	91.5	Very high	21 Å²	21	44.3 Å²	44.3	14%	0.142	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.2	178	-61.1	0	0	0	0	110.8	T501 Q503 C508	C499-T501 VanDerWaalsContact C-N 3.26Å; C499-T501 PolarHBondContact O-N 3.1Å; C499-Q503 HydrophobicContact CB-CB 4.35Å; C499-C508 WeakPolarHBondContact CA-SG 2.99Å; C499-C508 HydrophobicContact CB-CB 3.63Å; C499-C508 WeakPolarHBondContact CB-SG 3.25Å; C499-C508 WeakPolarHBondContact SG-CA 3.32Å; C499-C508 WeakPolarHBondContact SG-CB 3.43Å; C499-C508 CovalentContact SG-SG 2.03Å; C499-C508 PolarHBondContact SG-SG 2.87Å
500	K	91	Very high	91.3	Very high	135 Å²	135	51 Å²	51	59%	0.587	29%	0.294	S	S	*	.	S	Bend	trans	-69	-19.3	179.9	-174.1	176.3	176	-177.3	0	114.4	L483 E485	L483-K500 WeakPolarHBondContact O-CB 3.36Å; L483-K500 PolarHBondContact O-N 2.73Å; E485-K500 HydrophobicContact CB-CB 4.27Å
501	T	90.3	Very high	91	Very high	44 Å²	44	57.2 Å²	57.2	27%	0.27	32%	0.323	S	S	.	.	S	Bend	trans	-128.3	-85.7	-173.6	43.2	0	0	0	0	111.3	C499 V509 F525	C499-T501 VanDerWaalsContact C-N 3.26Å; C499-T501 PolarHBondContact O-N 3.1Å; T501-V509 WeakPolarHBondContact CB-O 3.41Å; T501-V509 PolarHBondContact OG1-O 3.49Å; T501-F525 WeakPolarHBondContact O-CD1 3.27Å
502	F	90.1	Very high	90.6	Very high	56 Å²	56	53.9 Å²	53.9	25%	0.246	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162.5	177.8	-61.6	-79.6	0	0	0	110.6	C508 V509 E510 V522 F525	F502-C508 CarbonylContact O-C 3.58Å; F502-C508 WeakPolarHBondContact O-CA 3.34Å; F502-V509 HydrophobicContact CB-CG2 4.06Å; F502-V509 PolarHBondContact N-O 3.41Å; F502-V509 VanDerWaalsContact N-O 3.11Å; F502-V509 PolarHBondContact O-N 2.78Å; F502-E510 WeakPolarHBondContact CD2-O 3.5Å; F502-V522 HydrophobicContact CD1-CG1 4.33Å; F502-V522 HydrophobicContact CE1-CG1 3.89Å; F502-V522 HydrophobicContact CE1-CG2 4.17Å; F502-F525 CarbonylContact C-O 3.52Å; F502-F525 VanDerWaalsContact CA-O 3.29Å; F502-F525 WeakPolarHBondContact CA-O 3.23Å
503	Q	90	Very high	90.2	Very high	67 Å²	67	56.2 Å²	56.2	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.3	179.8	-179	175.5	-20.2	0	0	110.8	C499 G505 F525 L526 C527	C499-Q503 HydrophobicContact CB-CB 4.35Å; Q503-G505 WeakPolarHBondContact CG-O 3.03Å; Q503-G505 PolarHBondContact NE2-O 2.92Å; Q503-F525 PolarHBondContact N-O 3.42Å; Q503-L526 HydrophobicContact CB-CD2 4.16Å; Q503-L526 HydrophobicContact CG-CD2 4.17Å; Q503-C527 PolarHBondContact O-N 3.04Å
504	R	90.4	Very high	89.5	Confident	87 Å²	87	57.3 Å²	57.3	33%	0.328	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.6	169.8	-179.5	179	-66.5	121.2	11.5	108.8	T506 V507 V509 Q511 D513 E520 C527	R504-T506 PolarHBondContact O-N 3.25Å; R504-V507 PolarHBondContact N-O 2.8Å; R504-V507 PolarHBondContact O-N 3.18Å; R504-V509 HydrophobicContact CB-CG1 4.16Å; R504-V509 HydrophobicContact CB-CG2 4.13Å; R504-Q511 PolarHBondContact NH2-O 2.66Å; R504-D513 VanDerWaalsContact NH2-N 3.14Å; R504-E520 WeakPolarHBondContact CD-OE1 3.33Å; R504-E520 WeakPolarHBondContact CG-OE1 3.32Å; R504-E520 IonicContact CZ-OE1 2.8Å; R504-E520 IonicContact CZ-OE2 3.49Å; R504-E520 VanDerWaalsContact NE-CD 3.33Å; R504-E520 IonicContact NE-OE1 3.91Å; R504-E520 PolarHBondContact NE-OE1 3.06Å; R504-E520 IonicContact NE-OE2 2.71Å; R504-E520 PolarHBondContact NE-OE2 2.72Å; R504-E520 VanDerWaalsContact NE-OE2 3.13Å; R504-E520 IonicContact NH2-OE1 3.6Å; R504-E520 IonicContact NH2-OE2 2.66Å; R504-E520 PolarHBondContact NH2-OE2 2.9Å; R504-C527 HydrophobicContact CB-CB 4.21Å
505	G	86.2	Confident	88.4	Confident	55 Å²	55	63 Å²	63	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-101.6	-175	0	0	0	0	0	111.8	Q503	Q503-G505 WeakPolarHBondContact CG-O 3.03Å; Q503-G505 PolarHBondContact NE2-O 2.92Å
506	T	85.6	Confident	87.2	Confident	84 Å²	84	63 Å²	63	52%	0.515	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	12.2	177.9	55.5	0	0	0	0	113.7	G494 R504	G494-T506 WeakPolarHBondContact CA-O 3.41Å; R504-T506 PolarHBondContact O-N 3.25Å
507	V	92.3	Very high	85.9	Confident	55 Å²	55	67.6 Å²	67.6	33%	0.333	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.4	-174.8	-175.9	0	0	0	0	111	P493 R504 V509	P493-V507 HydrophobicContact CB-CG1 3.93Å; P493-V507 HydrophobicContact CG-CG1 3.9Å; R504-V507 PolarHBondContact N-O 2.8Å; R504-V507 PolarHBondContact O-N 3.18Å; V507-V509 HydrophobicContact CG1-CG1 4.49Å
508	C	93.4	Very high	85.3	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.034	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.7	173.7	-54.3	0	0	0	0	111.4	L483 P493 C499 F502	L483-C508 HydrophobicContact CB-CB 3.94Å; P493-C508 HydrophobicContact CB-CB 4.34Å; P493-C508 WeakPolarHBondContact CB-O 2.99Å; P493-C508 PolarHBondContact O-N 2.85Å; C499-C508 WeakPolarHBondContact CA-SG 2.99Å; C499-C508 HydrophobicContact CB-CB 3.63Å; C499-C508 WeakPolarHBondContact CB-SG 3.25Å; C499-C508 WeakPolarHBondContact SG-CA 3.32Å; C499-C508 WeakPolarHBondContact SG-CB 3.43Å; C499-C508 CovalentContact SG-SG 2.03Å; C499-C508 PolarHBondContact SG-SG 2.87Å; F502-C508 CarbonylContact O-C 3.58Å; F502-C508 WeakPolarHBondContact O-CA 3.34Å
509	V	92.9	Very high	85	Confident	22 Å²	22	65.6 Å²	65.6	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.5	-177	-62	0	0	0	0	110.7	T501 F502 R504 V507 Q511	T501-V509 WeakPolarHBondContact CB-O 3.41Å; T501-V509 PolarHBondContact OG1-O 3.49Å; F502-V509 HydrophobicContact CB-CG2 4.06Å; F502-V509 PolarHBondContact N-O 3.41Å; F502-V509 VanDerWaalsContact N-O 3.11Å; F502-V509 PolarHBondContact O-N 2.78Å; R504-V509 HydrophobicContact CB-CG1 4.16Å; R504-V509 HydrophobicContact CB-CG2 4.13Å; V507-V509 HydrophobicContact CG1-CG1 4.49Å; V509-Q511 VanDerWaalsContact C-N 3.32Å
510	E	89.8	Confident	84.8	Confident	145 Å²	145	65.2 Å²	65.2	68%	0.678	36%	0.363	S	S	*	.	S	Bend	trans	-71.7	-28.2	179.5	-67.2	-179.7	174.8	0	0	112.4	L483 F502	L483-E510 HydrophobicContact CD1-CG 4.02Å; L483-E510 HydrophobicContact CD2-CG 3.62Å; L483-E510 HydrophobicContact CG-CG 4.47Å; F502-E510 WeakPolarHBondContact CD2-O 3.5Å
511	Q	87.3	Confident	84.6	Confident	129 Å²	129	59.6 Å²	59.6	60%	0.603	34%	0.338	S	S	*	.	S	Bend	trans	-154.4	147.6	179.4	-158.9	173.2	11.2	0	0	111.6	R504 V509 Y514	R504-Q511 PolarHBondContact NH2-O 2.66Å; V509-Q511 VanDerWaalsContact C-N 3.32Å; Q511-Y514 HydrophobicContact CG-CE2 4.01Å
512	C	85.8	Confident	84.5	Confident	6 Å²	6	60 Å²	60	4%	0.041	34%	0.341	C	S	.	.			trans	-73.5	155.2	168.6	-53.6	0	0	0	0	111.4	Y514 E520 V522 C527	C512-Y514 HydrophobicContact CB-CE1 4.39Å; C512-Y514 HydrophobicContact CB-CE2 4.47Å; C512-Y514 WeakPolarHBondContact O-CD2 3.5Å; C512-Y514 VanDerWaalsContact O-CE2 3.31Å; C512-Y514 WeakPolarHBondContact O-CE2 3.5Å; C512-Y514 PolarHBondContact O-N 2.77Å; C512-E520 WeakPolarHBondContact CA-OE2 3.48Å; C512-E520 HydrophobicContact CB-CB 4.22Å; C512-V522 HydrophobicContact CB-CG2 4.36Å; C512-C527 WeakPolarHBondContact CA-SG 3.5Å; C512-C527 HydrophobicContact CB-CB 3.72Å; C512-C527 WeakPolarHBondContact CB-SG 3.27Å; C512-C527 WeakPolarHBondContact SG-CA 3.25Å; C512-C527 WeakPolarHBondContact SG-CB 3.13Å; C512-C527 CovalentContact SG-SG 2.04Å; C512-C527 PolarHBondContact SG-SG 3.09Å
513	D	84.1	Confident	84.2	Confident	72 Å²	72	61 Å²	61	39%	0.385	35%	0.349	S	S	.	.			trans	-97.7	88.5	-174.1	-173.3	0.2	0	0	0	111.1	R504 Q515 G516 E520	R504-D513 VanDerWaalsContact NH2-N 3.14Å; D513-Q515 PolarHBondContact O-N 3.42Å; D513-Q515 PolarHBondContact OD1-N 2.86Å; D513-G516 PolarHBondContact OD1-N 3.45Å; D513-G516 WeakPolarHBondContact OD2-CA 3.48Å; D513-E520 PolarHBondContact N-OE2 3Å; D513-E520 WeakPolarHBondContact O-CB 3.41Å; D513-E520 PolarHBondContact O-N 2.88Å
514	Y	77.3	Confident	84	Confident	63 Å²	63	60.7 Å²	60.7	25%	0.247	36%	0.363	C	S	.	.	S	Bend	trans	-72.4	-7.2	179	-49.8	-78.7	0	0	0	114	Q511 C512 E520 V522	Q511-Y514 HydrophobicContact CG-CE2 4.01Å; C512-Y514 HydrophobicContact CB-CE1 4.39Å; C512-Y514 HydrophobicContact CB-CE2 4.47Å; C512-Y514 WeakPolarHBondContact O-CD2 3.5Å; C512-Y514 VanDerWaalsContact O-CE2 3.31Å; C512-Y514 WeakPolarHBondContact O-CE2 3.5Å; C512-Y514 PolarHBondContact O-N 2.77Å; Y514-E520 VanDerWaalsContact CD1-O 3.26Å; Y514-E520 WeakPolarHBondContact CD1-O 3.23Å; Y514-V522 HydrophobicContact CE1-CG2 4.16Å; Y514-V522 VanDerWaalsContact OH-CG2 3.23Å; Y514-V522 WeakPolarHBondContact OH-CG2 3.19Å
515	Q	69.9	Low	83.8	Confident	132 Å²	132	63.8 Å²	63.8	62%	0.617	38%	0.379	S	S	*	.	S	Bend	trans	-129.4	-7	-166.1	-60.9	-178.5	12.5	0	0	114.1	D513	D513-Q515 PolarHBondContact O-N 3.42Å; D513-Q515 PolarHBondContact OD1-N 2.86Å
516	G	69.1	Low	83.9	Confident	18 Å²	18	64.4 Å²	64.4	19%	0.186	37%	0.37	C	S	.	.	S	Bend	trans	-68.8	176.1	178.4	0	0	0	0	0	114.5	D513 A518	D513-G516 PolarHBondContact OD1-N 3.45Å; D513-G516 WeakPolarHBondContact OD2-CA 3.48Å; G516-A518 PolarHBondContact O-N 3.47Å; G516-A518 VanDerWaalsContact O-N 3.14Å
517	A	66.3	Low	84.1	Confident	112 Å²	112	60.9 Å²	60.9	93%	0.926	35%	0.348	S	S	*	.	S	Bend	trans	-62.9	-20.3	-177.1	0	0	0	0	0	114.4
518	A	77.2	Confident	83.9	Confident	60 Å²	60	62 Å²	62	50%	0.496	35%	0.348	S	S	.	.	S	Bend	trans	-127	94.4	165	0	0	0	0	0	107	G516 T529	G516-A518 PolarHBondContact O-N 3.47Å; G516-A518 VanDerWaalsContact O-N 3.14Å; A518-T529 HydrophobicContact CB-CG2 4.19Å
519	P	84.1	Confident	83.7	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.058	37%	0.37	C	S	.	.			trans	-66.4	142.5	-171.6	25.8	-34	0	0	0	111.4	C530 P536	P519-C530 HydrophobicContact CG-CB 4.35Å; P519-C530 WeakPolarHBondContact O-CB 3.41Å; P519-C530 PolarHBondContact O-N 2.8Å; P519-C530 PolarHBondContact O-SG 3.09Å; P519-C530 VanDerWaalsContact O-SG 3.32Å; P519-P536 HydrophobicContact CG-CB 4.43Å; P519-P536 HydrophobicContact CG-CG 4.34Å
520	E	88	Confident	83.5	Confident	13 Å²	13	65.1 Å²	65.1	6%	0.061	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	153.4	-178.1	-61.9	-178.2	145.3	0	0	112.9	R504 C512 D513 Y514 C527 K528 T529	R504-E520 WeakPolarHBondContact CD-OE1 3.33Å; R504-E520 WeakPolarHBondContact CG-OE1 3.32Å; R504-E520 IonicContact CZ-OE1 2.8Å; R504-E520 IonicContact CZ-OE2 3.49Å; R504-E520 VanDerWaalsContact NE-CD 3.33Å; R504-E520 IonicContact NE-OE1 3.91Å; R504-E520 PolarHBondContact NE-OE1 3.06Å; R504-E520 IonicContact NE-OE2 2.71Å; R504-E520 PolarHBondContact NE-OE2 2.72Å; R504-E520 VanDerWaalsContact NE-OE2 3.13Å; R504-E520 IonicContact NH2-OE1 3.6Å; R504-E520 IonicContact NH2-OE2 2.66Å; R504-E520 PolarHBondContact NH2-OE2 2.9Å; C512-E520 WeakPolarHBondContact CA-OE2 3.48Å; C512-E520 HydrophobicContact CB-CB 4.22Å; D513-E520 PolarHBondContact N-OE2 3Å; D513-E520 WeakPolarHBondContact O-CB 3.41Å; D513-E520 PolarHBondContact O-N 2.88Å; Y514-E520 VanDerWaalsContact CD1-O 3.26Å; Y514-E520 WeakPolarHBondContact CD1-O 3.23Å; E520-C527 WeakPolarHBondContact OE2-CB 3.42Å; E520-K528 CarbonylContact C-O 3.56Å; E520-K528 WeakPolarHBondContact CA-O 3.41Å; E520-K528 WeakPolarHBondContact CB-O 3Å; E520-T529 HydrophobicContact CG-CG2 4.5Å
521	Y	87.7	Confident	83.5	Confident	17 Å²	17	61.4 Å²	61.4	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	167.1	162.6	74.7	-80.2	0	0	0	110.2	D523 K528 T529 C543 P546	Y521-D523 HydrophobicContact CE2-CB 4.04Å; Y521-K528 HydrophobicContact CD1-CB 4.17Å; Y521-K528 VanDerWaalsContact CD1-O 3.25Å; Y521-K528 WeakPolarHBondContact CD1-O 3.35Å; Y521-K528 HydrophobicContact CE1-CB 3.56Å; Y521-K528 HydrophobicContact CE2-CB 4.37Å; Y521-K528 HydrophobicContact CE2-CD 4.5Å; Y521-K528 PolarHBondContact N-O 2.9Å; Y521-K528 PolarHBondContact O-N 3.31Å; Y521-K528 WeakPolarHBondContact OH-CD 3.34Å; Y521-T529 WeakPolarHBondContact CE1-O 3.24Å; Y521-C543 VanDerWaalsContact CD1-SG 3.5Å; Y521-P546 HydrophobicContact CE1-CB 4.48Å; Y521-P546 WeakPolarHBondContact OH-CB 3.3Å; Y521-P546 VanDerWaalsContact OH-CD 3.32Å; Y521-P546 WeakPolarHBondContact OH-CD 3.4Å
522	V	86.8	Confident	83.6	Confident	54 Å²	54	62.1 Å²	62.1	33%	0.327	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.8	179.6	177.1	0	0	0	0	110.1	F502 C512 Y514 G524	F502-V522 HydrophobicContact CD1-CG1 4.33Å; F502-V522 HydrophobicContact CE1-CG1 3.89Å; F502-V522 HydrophobicContact CE1-CG2 4.17Å; C512-V522 HydrophobicContact CB-CG2 4.36Å; Y514-V522 HydrophobicContact CE1-CG2 4.16Å; Y514-V522 VanDerWaalsContact OH-CG2 3.23Å; Y514-V522 WeakPolarHBondContact OH-CG2 3.19Å; V522-G524 WeakPolarHBondContact CG1-O 3.24Å
523	D	84.3	Confident	83.9	Confident	77 Å²	77	62.8 Å²	62.8	41%	0.412	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	97.2	167.9	-175.1	12.9	0	0	0	109.3	Y521 F525 L526 K528	Y521-D523 HydrophobicContact CE2-CB 4.04Å; D523-F525 PolarHBondContact O-N 3.17Å; D523-L526 PolarHBondContact N-O 2.97Å; D523-L526 WeakPolarHBondContact O-CB 3.34Å; D523-L526 PolarHBondContact O-N 3.27Å; D523-K528 HydrophobicContact CB-CD 3.91Å; D523-K528 WeakPolarHBondContact OD2-CE 3.39Å; D523-K528 IonicContact OD2-NZ 2.67Å; D523-K528 PolarHBondContact OD2-NZ 3.01Å
524	G	85.4	Confident	84.1	Confident	60 Å²	60	59.6 Å²	59.6	62%	0.619	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-102.5	-169.3	0	0	0	0	0	111.8	V522	V522-G524 WeakPolarHBondContact CG1-O 3.24Å
525	F	85.7	Confident	84.6	Confident	151 Å²	151	62.3 Å²	62.3	66%	0.662	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-1	175.3	-63.2	-76.5	0	0	0	113.2	T501 F502 Q503 D523	T501-F525 WeakPolarHBondContact O-CD1 3.27Å; F502-F525 CarbonylContact C-O 3.52Å; F502-F525 VanDerWaalsContact CA-O 3.29Å; F502-F525 WeakPolarHBondContact CA-O 3.23Å; Q503-F525 PolarHBondContact N-O 3.42Å; D523-F525 PolarHBondContact O-N 3.17Å
526	L	88.5	Confident	85.2	Confident	69 Å²	69	59.2 Å²	59.2	36%	0.361	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.8	-176.7	-70.9	158.2	0	0	0	111.1	Q503 D523 K528	Q503-L526 HydrophobicContact CB-CD2 4.16Å; Q503-L526 HydrophobicContact CG-CD2 4.17Å; D523-L526 PolarHBondContact N-O 2.97Å; D523-L526 WeakPolarHBondContact O-CB 3.34Å; D523-L526 PolarHBondContact O-N 3.27Å; L526-K528 HydrophobicContact CB-CG 4.47Å
527	C	89.8	Confident	85.8	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.061	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.7	162.6	-51.7	0	0	0	0	108.7	Q503 R504 C512 E520	Q503-C527 PolarHBondContact O-N 3.04Å; R504-C527 HydrophobicContact CB-CB 4.21Å; C512-C527 WeakPolarHBondContact CA-SG 3.5Å; C512-C527 HydrophobicContact CB-CB 3.72Å; C512-C527 WeakPolarHBondContact CB-SG 3.27Å; C512-C527 WeakPolarHBondContact SG-CA 3.25Å; C512-C527 WeakPolarHBondContact SG-CB 3.13Å; C512-C527 CovalentContact SG-SG 2.04Å; C512-C527 PolarHBondContact SG-SG 3.09Å; E520-C527 WeakPolarHBondContact OE2-CB 3.42Å
528	K	88.2	Confident	85.9	Confident	78 Å²	78	61.5 Å²	61.5	34%	0.339	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.7	177	-69.7	-178	177.5	179	0	109.6	E520 Y521 D523 L526	E520-K528 CarbonylContact C-O 3.56Å; E520-K528 WeakPolarHBondContact CA-O 3.41Å; E520-K528 WeakPolarHBondContact CB-O 3Å; Y521-K528 HydrophobicContact CD1-CB 4.17Å; Y521-K528 VanDerWaalsContact CD1-O 3.25Å; Y521-K528 WeakPolarHBondContact CD1-O 3.35Å; Y521-K528 HydrophobicContact CE1-CB 3.56Å; Y521-K528 HydrophobicContact CE2-CB 4.37Å; Y521-K528 HydrophobicContact CE2-CD 4.5Å; Y521-K528 PolarHBondContact N-O 2.9Å; Y521-K528 PolarHBondContact O-N 3.31Å; Y521-K528 WeakPolarHBondContact OH-CD 3.34Å; D523-K528 HydrophobicContact CB-CD 3.91Å; D523-K528 WeakPolarHBondContact OD2-CE 3.39Å; D523-K528 IonicContact OD2-NZ 2.67Å; D523-K528 PolarHBondContact OD2-NZ 3.01Å; L526-K528 HydrophobicContact CB-CG 4.47Å
529	T	89.4	Confident	85.4	Confident	82 Å²	82	63 Å²	63	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	146.2	175.3	51.1	0	0	0	0	111.3	A518 E520 Y521	A518-T529 HydrophobicContact CB-CG2 4.19Å; E520-T529 HydrophobicContact CG-CG2 4.5Å; Y521-T529 WeakPolarHBondContact CE1-O 3.24Å
530	C	88.5	Confident	84.8	Confident	11 Å²	11	65.4 Å²	65.4	7%	0.074	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.6	167.3	165.4	-64.9	0	0	0	0	111.9	P519 C534 C543	P519-C530 HydrophobicContact CG-CB 4.35Å; P519-C530 WeakPolarHBondContact O-CB 3.41Å; P519-C530 PolarHBondContact O-N 2.8Å; P519-C530 PolarHBondContact O-SG 3.09Å; P519-C530 VanDerWaalsContact O-SG 3.32Å; C530-C534 HydrophobicContact CB-CB 3.91Å; C530-C543 WeakPolarHBondContact CA-SG 3.44Å; C530-C543 HydrophobicContact CB-CB 3.75Å; C530-C543 WeakPolarHBondContact CB-SG 3.11Å; C530-C543 WeakPolarHBondContact SG-CB 3.33Å; C530-C543 CovalentContact SG-SG 2.03Å; C530-C543 PolarHBondContact SG-SG 2.67Å
531	H	90.7	Very high	84.5	Confident	67 Å²	67	66.1 Å²	66.1	31%	0.31	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-66.6	148.4	168.6	-169.9	-99.1	0	0	0	110.8	E533 C534	H531-E533 PolarHBondContact ND1-N 3.44Å; H531-E533 PolarHBondContact O-N 3.43Å; H531-E533 VanDerWaalsContact O-N 3.15Å; H531-C534 VanDerWaalsContact O-CB 3.25Å; H531-C534 WeakPolarHBondContact O-CB 3.36Å; H531-C534 PolarHBondContact O-N 3.14Å; H531-C534 PolarHBondContact O-SG 3.18Å
532	D	89.8	Confident	84.3	Confident	144 Å²	144	65.4 Å²	65.4	77%	0.77	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.1	-175.6	-62.1	-46.4	0	0	0	113.4	C534 L555	D532-C534 VanDerWaalsContact C-N 3.29Å; D532-C534 PolarHBondContact O-N 3.14Å; D532-L555 WeakPolarHBondContact O-CD2 3.43Å
533	E	90.9	Very high	84.4	Confident	20 Å²	20	62.9 Å²	62.9	9%	0.093	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.7	172.9	-70.9	-63.6	148.1	0	0	114.4	H531 C554 L555 H556 C563 E565	H531-E533 PolarHBondContact ND1-N 3.44Å; H531-E533 PolarHBondContact O-N 3.43Å; H531-E533 VanDerWaalsContact O-N 3.15Å; E533-C554 CarbonylContact O-C 3.15Å; E533-L555 WeakPolarHBondContact O-CB 3.45Å; E533-L555 PolarHBondContact O-N 2.75Å; E533-H556 IonicContact OE1-CE1 2.73Å; E533-H556 IonicContact OE1-CG 3.56Å; E533-H556 IonicContact OE1-ND1 2.71Å; E533-H556 PolarHBondContact OE1-ND1 3.02Å; E533-H556 WeakPolarHBondContact OE2-CB 3.35Å; E533-H556 IonicContact OE2-CG 2.62Å; E533-H556 PolarHBondContact OE2-N 3.5Å; E533-H556 IonicContact OE2-ND1 3.85Å; E533-H556 PolarHBondContact OE2-ND1 2.88Å; E533-C563 HydrophobicContact CB-CB 3.74Å; E533-E565 VanDerWaalsContact OE1-CA 3.25Å; E533-E565 WeakPolarHBondContact OE1-CA 3.08Å; E533-E565 WeakPolarHBondContact OE1-CB 3.3Å; E533-E565 PolarHBondContact OE1-N 3.16Å
534	C	89.4	Confident	84.5	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.034	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-82.9	121.3	173.2	-58.4	0	0	0	0	110.2	C530 H531 D532 P536 C543 C551	C530-C534 HydrophobicContact CB-CB 3.91Å; H531-C534 VanDerWaalsContact O-CB 3.25Å; H531-C534 WeakPolarHBondContact O-CB 3.36Å; H531-C534 PolarHBondContact O-N 3.14Å; H531-C534 PolarHBondContact O-SG 3.18Å; D532-C534 VanDerWaalsContact C-N 3.29Å; D532-C534 PolarHBondContact O-N 3.14Å; C534-P536 WeakPolarHBondContact O-CD 3.46Å; C534-C543 HydrophobicContact CB-CB 4.35Å; C534-C551 WeakPolarHBondContact CA-SG 3.4Å; C534-C551 HydrophobicContact CB-CB 3.65Å; C534-C551 WeakPolarHBondContact CB-SG 3.43Å; C534-C551 PolarHBondContact N-SG 3.2Å; C534-C551 VanDerWaalsContact N-SG 3.45Å; C534-C551 WeakPolarHBondContact SG-CA 3.35Å; C534-C551 WeakPolarHBondContact SG-CB 3.09Å; C534-C551 CovalentContact SG-SG 2.04Å; C534-C551 PolarHBondContact SG-SG 2.82Å
535	R	86.5	Confident	84.5	Confident	121 Å²	121	63.1 Å²	63.1	46%	0.457	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.4	128.2	-179.6	-170.3	-172.7	-175.3	-172.2	0.5	110.9	L537 S542 E553 L555	R535-L537 PolarHBondContact O-N 3.21Å; R535-S542 WeakPolarHBondContact O-CB 3.14Å; R535-E553 HydrophobicContact CB-CB 4.02Å; R535-E553 WeakPolarHBondContact CB-O 3.35Å; R535-E553 WeakPolarHBondContact CD-OE2 3.36Å; R535-E553 IonicContact CZ-OE2 3.59Å; R535-E553 PolarHBondContact N-O 3.35Å; R535-E553 IonicContact NE-OE2 3.79Å; R535-E553 IonicContact NH1-OE2 3.89Å; R535-E553 PolarHBondContact NH1-OE2 3.07Å; R535-L555 HydrophobicContact CG-CD1 4.43Å
536	P	84.1	Confident	84.6	Confident	66 Å²	66	60 Å²	60	43%	0.429	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-62	123.1	172.1	-24.3	35	0	0	0	111.8	P519 C534 S542	P519-P536 HydrophobicContact CG-CB 4.43Å; P519-P536 HydrophobicContact CG-CG 4.34Å; C534-P536 WeakPolarHBondContact O-CD 3.46Å; P536-S542 WeakPolarHBondContact CA-OG 3.28Å
537	L	81.6	Confident	84.5	Confident	24 Å²	24	57.3 Å²	57.3	13%	0.126	33%	0.325	C	S	.	.			trans	-107.7	125.9	-178.2	-63.3	-176.6	0	0	0	112.1	R535 A539 S540 S542 T552 E553	R535-L537 PolarHBondContact O-N 3.21Å; L537-A539 PolarHBondContact O-N 3.21Å; L537-S540 WeakPolarHBondContact CB-OG 3.15Å; L537-S540 WeakPolarHBondContact CD1-OG 3.24Å; L537-S542 PolarHBondContact N-OG 3.19Å; L537-T552 HydrophobicContact CD1-CG2 3.61Å; L537-E553 HydrophobicContact CD2-CB 4.39Å; L537-E553 HydrophobicContact CD2-CG 4.28Å
538	N	68.2	Low	84.4	Confident	154 Å²	154	58.5 Å²	58.5	82%	0.824	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	119.2	173.5	-69.5	-32.7	0	0	0	110.1
539	A	66.6	Low	84.5	Confident	93 Å²	93	58.9 Å²	58.9	77%	0.769	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	10.7	178.5	0	0	0	0	0	118.1	L537	L537-A539 PolarHBondContact O-N 3.21Å
540	S	71.6	Confident	84.5	Confident	58 Å²	58	59 Å²	59	41%	0.406	33%	0.333	S	S	.	.	S	Bend	trans	-139.5	159.4	167.7	61.7	0	0	0	0	111.3	L537 S542	L537-S540 WeakPolarHBondContact CB-OG 3.15Å; L537-S540 WeakPolarHBondContact CD1-OG 3.24Å; S540-S542 PolarHBondContact O-N 3.06Å
541	A	80.3	Confident	84.5	Confident	29 Å²	29	59.5 Å²	59.5	24%	0.24	34%	0.336	C	S	.	.			trans	-59.9	138.4	171.1	0	0	0	0	0	110.1	T552	A541-T552 PolarHBondContact O-OG1 2.89Å; A541-T552 VanDerWaalsContact O-OG1 3.1Å
542	S	84.6	Confident	84.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	34%	0.339	C	S	.	.	S	Bend	trans	-85.7	-17.4	-176.9	-56.6	0	0	0	0	113	R535 P536 L537 S540 T552	R535-S542 WeakPolarHBondContact O-CB 3.14Å; P536-S542 WeakPolarHBondContact CA-OG 3.28Å; L537-S542 PolarHBondContact N-OG 3.19Å; S540-S542 PolarHBondContact O-N 3.06Å; S542-T552 PolarHBondContact O-N 3.22Å; S542-T552 PolarHBondContact O-OG1 3.05Å
543	C	87.9	Confident	84.3	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-154.3	170.9	172.4	70.8	0	0	0	0	110.6	Y521 C530 C534 G545 H550	Y521-C543 VanDerWaalsContact CD1-SG 3.5Å; C530-C543 WeakPolarHBondContact CA-SG 3.44Å; C530-C543 HydrophobicContact CB-CB 3.75Å; C530-C543 WeakPolarHBondContact CB-SG 3.11Å; C530-C543 WeakPolarHBondContact SG-CB 3.33Å; C530-C543 CovalentContact SG-SG 2.03Å; C530-C543 PolarHBondContact SG-SG 2.67Å; C534-C543 HydrophobicContact CB-CB 4.35Å; C543-G545 PolarHBondContact SG-O 3.08Å; C543-H550 CarbonylContact C-O 3.55Å; C543-H550 VanDerWaalsContact CA-O 3.22Å; C543-H550 WeakPolarHBondContact CA-O 3.47Å; C543-H550 WeakPolarHBondContact CB-O 3.08Å
544	H	87.3	Confident	84.2	Confident	139 Å²	139	56.6 Å²	56.6	64%	0.644	33%	0.325	S	S	*	.	S	Bend	trans	-123.3	13.9	174.8	-58.7	-54.5	0	0	0	113.3	H550	H544-H550 PolarHBondContact N-O 3.38Å
545	G	85.2	Confident	84.2	Confident	4 Å²	4	59.4 Å²	59.4	4%	0.041	34%	0.339	C	S	.	.	S	Bend	trans	-179.4	176.3	-175	0	0	0	0	0	112.2	C543	C543-G545 PolarHBondContact SG-O 3.08Å
546	P	87.5	Confident	84.4	Confident	85 Å²	85	57.2 Å²	57.2	55%	0.552	33%	0.334	S	S	*	.	S	Bend	trans	-80.9	-15.8	-172	31	-33.7	0	0	0	114.6	Y521	Y521-P546 HydrophobicContact CE1-CB 4.48Å; Y521-P546 WeakPolarHBondContact OH-CB 3.3Å; Y521-P546 VanDerWaalsContact OH-CD 3.32Å; Y521-P546 WeakPolarHBondContact OH-CD 3.4Å
547	G	86.9	Confident	84.7	Confident	13 Å²	13	57.7 Å²	57.7	13%	0.134	33%	0.328	C	S	.	.	S	Bend	trans	-90.9	156.2	-171.4	0	0	0	0	0	113.8	D549 H550	G547-D549 WeakPolarHBondContact CA-OD1 3.43Å; G547-D549 PolarHBondContact O-N 2.03Å; G547-D549 VanDerWaalsContact O-N 3.14Å; G547-H550 PolarHBondContact O-N 3.47Å
548	P	88.2	Confident	84.9	Confident	34 Å²	34	59.3 Å²	59.3	22%	0.221	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.6	171.9	20.7	-28.4	0	0	0	114.2	I562 C563	P548-I562 HydrophobicContact CB-CG2 3.8Å; P548-I562 HydrophobicContact CG-CG2 3.75Å; P548-C563 HydrophobicContact CB-CB 4.37Å; P548-C563 VanDerWaalsContact CB-O 3.22Å; P548-C563 WeakPolarHBondContact CB-O 3.49Å; P548-C563 WeakPolarHBondContact O-CB 3.48Å; P548-C563 PolarHBondContact O-N 3.43Å; P548-C563 PolarHBondContact O-SG 3.18Å; P548-C563 VanDerWaalsContact O-SG 3.35Å
549	D	88.7	Confident	85.8	Confident	85 Å²	85	53 Å²	53	46%	0.455	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.6	173.3	64.7	-43.9	0	0	0	113.9	G547 K561 I562	G547-D549 WeakPolarHBondContact CA-OD1 3.43Å; G547-D549 PolarHBondContact O-N 2.03Å; G547-D549 VanDerWaalsContact O-N 3.14Å; D549-K561 WeakPolarHBondContact CA-O 3.35Å; D549-I562 HydrophobicContact CB-CG1 4.35Å
550	H	90.4	Very high	86.5	Confident	85 Å²	85	56 Å²	56	39%	0.394	30%	0.299	S	S	.	.	S	Bend	trans	-104.3	5.9	179.2	-66.8	-65	0	0	0	113.6	C543 H544 G547	C543-H550 CarbonylContact C-O 3.55Å; C543-H550 VanDerWaalsContact CA-O 3.22Å; C543-H550 WeakPolarHBondContact CA-O 3.47Å; C543-H550 WeakPolarHBondContact CB-O 3.08Å; H544-H550 PolarHBondContact N-O 3.38Å; G547-H550 PolarHBondContact O-N 3.47Å
551	C	88.8	Confident	87.1	Confident	22 Å²	22	61.3 Å²	61.3	15%	0.149	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-69.3	143.8	173.4	-56.1	0	0	0	0	111.7	C534 C563	C534-C551 WeakPolarHBondContact CA-SG 3.4Å; C534-C551 HydrophobicContact CB-CB 3.65Å; C534-C551 WeakPolarHBondContact CB-SG 3.43Å; C534-C551 PolarHBondContact N-SG 3.2Å; C534-C551 VanDerWaalsContact N-SG 3.45Å; C534-C551 WeakPolarHBondContact SG-CA 3.35Å; C534-C551 WeakPolarHBondContact SG-CB 3.09Å; C534-C551 CovalentContact SG-SG 2.04Å; C534-C551 PolarHBondContact SG-SG 2.82Å; C551-C563 VanDerWaalsContact CB-SG 3.57Å
552	T	88.3	Confident	87.5	Confident	61 Å²	61	64 Å²	64	37%	0.374	32%	0.324	S	S	.	.	S	Bend	trans	-78.7	-34.4	175.8	-50.4	0	0	0	0	111.7	L537 A541 S542	L537-T552 HydrophobicContact CD1-CG2 3.61Å; A541-T552 PolarHBondContact O-OG1 2.89Å; A541-T552 VanDerWaalsContact O-OG1 3.1Å; S542-T552 PolarHBondContact O-N 3.22Å; S542-T552 PolarHBondContact O-OG1 3.05Å
553	E	87.7	Confident	87.8	Confident	85 Å²	85	64.2 Å²	64.2	40%	0.397	33%	0.325	S	S	.	.	S	Bend	trans	-140.1	146.7	164.9	-74.3	-171.3	-169.3	0	0	109.7	R535 L537	R535-E553 HydrophobicContact CB-CB 4.02Å; R535-E553 WeakPolarHBondContact CB-O 3.35Å; R535-E553 WeakPolarHBondContact CD-OE2 3.36Å; R535-E553 IonicContact CZ-OE2 3.59Å; R535-E553 PolarHBondContact N-O 3.35Å; R535-E553 IonicContact NE-OE2 3.79Å; R535-E553 IonicContact NH1-OE2 3.89Å; R535-E553 PolarHBondContact NH1-OE2 3.07Å; L537-E553 HydrophobicContact CD2-CB 4.39Å; L537-E553 HydrophobicContact CD2-CG 4.28Å
554	C	88.9	Confident	87.9	Confident	24 Å²	24	65.7 Å²	65.7	16%	0.162	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-79.9	141.2	173.6	-56.5	0	0	0	0	112.1	E533 C563	E533-C554 CarbonylContact O-C 3.15Å; C554-C563 WeakPolarHBondContact CA-SG 3.03Å; C554-C563 HydrophobicContact CB-CB 3.57Å; C554-C563 WeakPolarHBondContact CB-SG 3.44Å; C554-C563 WeakPolarHBondContact SG-CA 3.36Å; C554-C563 WeakPolarHBondContact SG-CB 3.34Å; C554-C563 CovalentContact SG-SG 2.03Å; C554-C563 PolarHBondContact SG-SG 3.32Å
555	L	89.4	Confident	87.9	Confident	64 Å²	64	63.8 Å²	63.8	34%	0.335	33%	0.326	S	S	.	.	S	Bend	trans	-72.2	-52.3	176.8	-176.9	63	0	0	0	111.6	D532 E533 R535 R586	D532-L555 WeakPolarHBondContact O-CD2 3.43Å; E533-L555 WeakPolarHBondContact O-CB 3.45Å; E533-L555 PolarHBondContact O-N 2.75Å; R535-L555 HydrophobicContact CG-CD1 4.43Å; L555-R586 PolarHBondContact O-NH1 3.16Å
556	H	90.5	Very high	87.9	Confident	75 Å²	75	72.1 Å²	72.1	35%	0.347	36%	0.356	S	S	.	.	S	Bend	trans	-98.9	-86.2	179.4	-59.1	110.9	0	0	0	112.3	E533 R586	E533-H556 IonicContact OE1-CE1 2.73Å; E533-H556 IonicContact OE1-CG 3.56Å; E533-H556 IonicContact OE1-ND1 2.71Å; E533-H556 PolarHBondContact OE1-ND1 3.02Å; E533-H556 WeakPolarHBondContact OE2-CB 3.35Å; E533-H556 IonicContact OE2-CG 2.62Å; E533-H556 PolarHBondContact OE2-N 3.5Å; E533-H556 IonicContact OE2-ND1 3.85Å; E533-H556 PolarHBondContact OE2-ND1 2.88Å; H556-R586 WeakPolarHBondContact O-CD 3.37Å; H556-R586 PolarHBondContact O-NH1 2.92Å
557	Y	89.4	Confident	87.7	Confident	76 Å²	76	68.8 Å²	68.8	30%	0.298	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	165.6	-175.7	-53.5	-86	0	0	0	112	C563 V564 E565 S582 R586	Y557-C563 CarbonylContact O-C 3.5Å; Y557-C563 WeakPolarHBondContact O-CA 3.38Å; Y557-V564 PolarHBondContact N-O 2.82Å; Y557-V564 VanDerWaalsContact N-O 3.07Å; Y557-V564 PolarHBondContact O-N 2.87Å; Y557-E565 WeakPolarHBondContact CD2-O 3.24Å; Y557-E565 VanDerWaalsContact CE2-O 3.26Å; Y557-E565 WeakPolarHBondContact CE2-O 3.12Å; Y557-S582 VanDerWaalsContact CD1-CB 3.43Å; Y557-R586 WeakPolarHBondContact CA-O 3.27Å; Y557-R586 WeakPolarHBondContact CB-O 3.39Å; Y557-R586 HydrophobicContact CD1-CB 3.91Å
558	Q	87.5	Confident	87.4	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.3	176.3	-175.1	176.6	-23	0	0	110.2	E560 R586 H587 C588	Q558-E560 PolarHBondContact NE2-O 3.25Å; Q558-R586 PolarHBondContact N-O 3.22Å; Q558-H587 CarbonylContact O-C 3.56Å; Q558-H587 WeakPolarHBondContact O-CA 3.43Å; Q558-C588 PolarHBondContact O-N 3.25Å
559	D	85.6	Confident	86.6	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.112	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.7	167.8	-162.8	17.4	0	0	0	109.8	K561 I562 V564 P568 K580 C588	D559-K561 VanDerWaalsContact C-N 3.33Å; D559-K561 PolarHBondContact O-N 2.75Å; D559-I562 PolarHBondContact N-O 2.87Å; D559-I562 PolarHBondContact O-N 3.29Å; D559-V564 HydrophobicContact CB-CG2 4.18Å; D559-P568 WeakPolarHBondContact OD2-CG 3.4Å; D559-K580 VanDerWaalsContact OD1-CD 3.28Å; D559-K580 WeakPolarHBondContact OD1-CD 3.04Å; D559-K580 WeakPolarHBondContact OD1-CE 3.21Å; D559-K580 IonicContact OD1-NZ 2.64Å; D559-K580 PolarHBondContact OD1-NZ 3.34Å; D559-K580 WeakPolarHBondContact OD2-CD 3.46Å; D559-K580 IonicContact OD2-NZ 2.66Å; D559-K580 PolarHBondContact OD2-NZ 2.81Å; D559-C588 HydrophobicContact CB-CB 3.93Å; D559-C588 WeakPolarHBondContact OD1-CB 3.44Å
560	E	82.4	Confident	85.4	Confident	157 Å²	157	69.3 Å²	69.3	73%	0.734	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-81.2	-170.7	-61.6	177	-150.9	0	0	114	Q558 K580	Q558-E560 PolarHBondContact NE2-O 3.25Å; E560-K580 IonicContact OE1-NZ 3.51Å
561	K	84.1	Confident	84	Confident	169 Å²	169	68.7 Å²	68.7	74%	0.735	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-2.2	176.7	-67.1	-174.1	178.9	-179.4	0	113.7	D549 D559	D549-K561 WeakPolarHBondContact CA-O 3.35Å; D559-K561 VanDerWaalsContact C-N 3.33Å; D559-K561 PolarHBondContact O-N 2.75Å
562	I	88.9	Confident	82.4	Confident	84 Å²	84	75.9 Å²	75.9	43%	0.431	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.2	-169.1	-53.1	-178	0	0	0	108.9	P548 D549 D559 V564	P548-I562 HydrophobicContact CB-CG2 3.8Å; P548-I562 HydrophobicContact CG-CG2 3.75Å; D549-I562 HydrophobicContact CB-CG1 4.35Å; D559-I562 PolarHBondContact N-O 2.87Å; D559-I562 PolarHBondContact O-N 3.29Å; I562-V564 HydrophobicContact CG2-CG1 4.11Å
563	C	91.1	Very high	80.7	Confident	6 Å²	6	79.4 Å²	79.4	4%	0.041	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	173.1	-57.9	0	0	0	0	111.1	E533 P548 C551 C554 Y557	E533-C563 HydrophobicContact CB-CB 3.74Å; P548-C563 HydrophobicContact CB-CB 4.37Å; P548-C563 VanDerWaalsContact CB-O 3.22Å; P548-C563 WeakPolarHBondContact CB-O 3.49Å; P548-C563 WeakPolarHBondContact O-CB 3.48Å; P548-C563 PolarHBondContact O-N 3.43Å; P548-C563 PolarHBondContact O-SG 3.18Å; P548-C563 VanDerWaalsContact O-SG 3.35Å; C551-C563 VanDerWaalsContact CB-SG 3.57Å; C554-C563 WeakPolarHBondContact CA-SG 3.03Å; C554-C563 HydrophobicContact CB-CB 3.57Å; C554-C563 WeakPolarHBondContact CB-SG 3.44Å; C554-C563 WeakPolarHBondContact SG-CA 3.36Å; C554-C563 WeakPolarHBondContact SG-CB 3.34Å; C554-C563 CovalentContact SG-SG 2.03Å; C554-C563 PolarHBondContact SG-SG 3.32Å; Y557-C563 CarbonylContact O-C 3.5Å; Y557-C563 WeakPolarHBondContact O-CA 3.38Å
564	V	88.4	Confident	78.8	Confident	33 Å²	33	83.3 Å²	83.3	20%	0.2	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.5	-173.7	-64	0	0	0	0	111.9	Y557 D559 I562 R566	Y557-V564 PolarHBondContact N-O 2.82Å; Y557-V564 VanDerWaalsContact N-O 3.07Å; Y557-V564 PolarHBondContact O-N 2.87Å; D559-V564 HydrophobicContact CB-CG2 4.18Å; I562-V564 HydrophobicContact CG2-CG1 4.11Å; V564-R566 PolarHBondContact O-N 2.79Å
565	E	88.3	Confident	77	Confident	99 Å²	99	92 Å²	92	46%	0.463	45%	0.452	S	S	.	.	S	Bend	trans	-58	-35.3	177.8	-161.8	-142.8	133.6	0	0	111.8	E533 Y557	E533-E565 VanDerWaalsContact OE1-CA 3.25Å; E533-E565 WeakPolarHBondContact OE1-CA 3.08Å; E533-E565 WeakPolarHBondContact OE1-CB 3.3Å; E533-E565 PolarHBondContact OE1-N 3.16Å; Y557-E565 WeakPolarHBondContact CD2-O 3.24Å; Y557-E565 VanDerWaalsContact CE2-O 3.26Å; Y557-E565 WeakPolarHBondContact CE2-O 3.12Å
566	R	85.3	Confident	75.4	Confident	179 Å²	179	95.4 Å²	95.4	68%	0.675	47%	0.467	S	S	*	.	S	Bend	trans	-152.4	148.4	-178.5	-53.1	-178.3	-161.5	-170.7	6.3	110.7	V564	V564-R566 PolarHBondContact O-N 2.79Å
567	C	83.1	Confident	74.1	Confident	14 Å²	14	94.6 Å²	94.6	10%	0.095	47%	0.467	C	S	.	.			trans	-67.4	137.7	176.9	-63.5	0	0	0	0	112.9	S569 K580 C588	C567-S569 PolarHBondContact O-N 3.33Å; C567-S569 VanDerWaalsContact O-N 3.15Å; C567-S569 PolarHBondContact O-OG 3.09Å; C567-K580 HydrophobicContact CB-CB 4.21Å; C567-K580 VanDerWaalsContact CB-O 3.31Å; C567-K580 WeakPolarHBondContact CB-O 3.25Å; C567-C588 WeakPolarHBondContact CA-SG 3.34Å; C567-C588 HydrophobicContact CB-CB 3.73Å; C567-C588 WeakPolarHBondContact CB-SG 3.36Å; C567-C588 WeakPolarHBondContact SG-CA 3.48Å; C567-C588 WeakPolarHBondContact SG-CB 3.35Å; C567-C588 CovalentContact SG-SG 2.04Å; C567-C588 PolarHBondContact SG-SG 3.09Å
568	P	79.9	Confident	73	Confident	34 Å²	34	92.8 Å²	92.8	22%	0.221	46%	0.464	C	S	.	.			trans	-53.1	116.6	-177.3	-31.3	36.9	0	0	0	114.1	D559 V571 W579 K580	D559-P568 WeakPolarHBondContact OD2-CG 3.4Å; P568-V571 HydrophobicContact CB-CG2 4.02Å; P568-W579 CarbonylContact O-C 3.54Å; P568-W579 WeakPolarHBondContact O-CA 3.19Å; P568-K580 HydrophobicContact CG-CD 4.43Å; P568-K580 PolarHBondContact O-N 2.82Å
569	S	72.1	Confident	72.2	Confident	79 Å²	79	94.8 Å²	94.8	55%	0.552	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	103.3	-175.6	-69.1	0	0	0	0	110.8	C567	C567-S569 PolarHBondContact O-N 3.33Å; C567-S569 VanDerWaalsContact O-N 3.15Å; C567-S569 PolarHBondContact O-OG 3.09Å
570	G	63.7	Low	71.9	Confident	31 Å²	31	95.2 Å²	95.2	32%	0.32	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.1	11.4	179.7	0	0	0	0	0	114.7	V578 W579	G570-V578 PolarHBondContact N-O 2.78Å; G570-W579 VanDerWaalsContact N-CE3 3.3Å
571	V	61.2	Low	71.7	Confident	72 Å²	72	93.8 Å²	93.8	44%	0.436	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.5	177.7	-175.5	0	0	0	0	109.5	P568 T577 V578	P568-V571 HydrophobicContact CB-CG2 4.02Å; V571-T577 CarbonylContact O-C 3.56Å; V571-T577 WeakPolarHBondContact O-CA 3.43Å; V571-V578 PolarHBondContact N-O 3.32Å; V571-V578 PolarHBondContact O-N 3.47Å
572	K	54.1	Low	71.5	Confident	172 Å²	172	88.2 Å²	88.2	75%	0.748	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.1	177.2	-69.4	-174.8	178.2	-177.7	0	110.6
573	E	52.2	Low	71.1	Confident	135 Å²	135	86.6 Å²	86.6	63%	0.631	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.8	168.2	-90.7	177.4	143.5	0	0	108.6	Q575 Q576	E573-Q575 VanDerWaalsContact C-N 3.32Å; E573-Q575 PolarHBondContact O-N 3.08Å; E573-Q576 PolarHBondContact N-O 3.26Å; E573-Q576 VanDerWaalsContact N-O 3.15Å; E573-Q576 PolarHBondContact O-N 2.99Å
574	D	49	Very low	70.3	Confident	168 Å²	168	95.9 Å²	95.9	90%	0.898	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.8	59.4	174.8	-69.5	-13.8	0	0	0	115.8	Q576	D574-Q576 VanDerWaalsContact C-N 3.26Å; D574-Q576 PolarHBondContact O-N 3.39Å
575	Q	51.7	Low	70	Confident	205 Å²	205	98.7 Å²	98.7	96%	0.958	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-5.6	176.2	-46.8	-177	16	0	0	116.5	E573	E573-Q575 VanDerWaalsContact C-N 3.32Å; E573-Q575 PolarHBondContact O-N 3.08Å
576	Q	55.9	Low	69.7	Low	137 Å²	137	100.5 Å²	100.5	64%	0.64	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.6	174.2	-150.4	159.8	1	0	0	111.1	E573 D574	E573-Q576 PolarHBondContact N-O 3.26Å; E573-Q576 VanDerWaalsContact N-O 3.15Å; E573-Q576 PolarHBondContact O-N 2.99Å; D574-Q576 VanDerWaalsContact C-N 3.26Å; D574-Q576 PolarHBondContact O-N 3.39Å
577	T	62.9	Low	69.7	Low	58 Å²	58	95.5 Å²	95.5	36%	0.356	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.2	178.6	-53.2	0	0	0	0	108.8	V571 W579	V571-T577 CarbonylContact O-C 3.56Å; V571-T577 WeakPolarHBondContact O-CA 3.43Å; T577-W579 HydrophobicContact CG2-CZ2 4.17Å; T577-W579 VanDerWaalsContact O-CD1 3.28Å
578	V	66.6	Low	69.8	Low	38 Å²	38	95.2 Å²	95.2	23%	0.23	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.1	-175.7	-179.3	0	0	0	0	109.9	G570 V571 K580	G570-V578 PolarHBondContact N-O 2.78Å; V571-V578 PolarHBondContact N-O 3.32Å; V571-V578 PolarHBondContact O-N 3.47Å; V578-K580 HydrophobicContact CG1-CD 4.46Å; V578-K580 HydrophobicContact CG1-CG 4.05Å
579	W	70.6	Confident	69.8	Low	99 Å²	99	96.7 Å²	96.7	38%	0.375	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.1	171.1	-58.4	91	0	0	0	107.9	P568 G570 T577 C591	P568-W579 CarbonylContact O-C 3.54Å; P568-W579 WeakPolarHBondContact O-CA 3.19Å; G570-W579 VanDerWaalsContact N-CE3 3.3Å; T577-W579 HydrophobicContact CG2-CZ2 4.17Å; T577-W579 VanDerWaalsContact O-CD1 3.28Å; W579-C591 HydrophobicContact CB-CB 4Å; W579-C591 PolarHBondContact O-N 3.07Å
580	K	78.1	Confident	69.9	Low	31 Å²	31	97.3 Å²	97.3	14%	0.135	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.6	174.9	-66.2	-178.8	178.3	-177.8	0	109.4	D559 E560 C567 P568 V578 C588 L589	D559-K580 VanDerWaalsContact OD1-CD 3.28Å; D559-K580 WeakPolarHBondContact OD1-CD 3.04Å; D559-K580 WeakPolarHBondContact OD1-CE 3.21Å; D559-K580 IonicContact OD1-NZ 2.64Å; D559-K580 PolarHBondContact OD1-NZ 3.34Å; D559-K580 WeakPolarHBondContact OD2-CD 3.46Å; D559-K580 IonicContact OD2-NZ 2.66Å; D559-K580 PolarHBondContact OD2-NZ 2.81Å; E560-K580 IonicContact OE1-NZ 3.51Å; C567-K580 HydrophobicContact CB-CB 4.21Å; C567-K580 VanDerWaalsContact CB-O 3.31Å; C567-K580 WeakPolarHBondContact CB-O 3.25Å; P568-K580 HydrophobicContact CG-CD 4.43Å; P568-K580 PolarHBondContact O-N 2.82Å; V578-K580 HydrophobicContact CG1-CD 4.46Å; V578-K580 HydrophobicContact CG1-CG 4.05Å; K580-C588 HydrophobicContact CB-CB 4.16Å; K580-C588 HydrophobicContact CD-CB 4.22Å; K580-L589 CarbonylContact C-O 3.59Å; K580-L589 WeakPolarHBondContact CA-O 3.4Å
581	Y	78.1	Confident	70.2	Confident	126 Å²	126	98 Å²	98	49%	0.494	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	153.4	176.2	69.4	-79.5	0	0	0	110.5	C588 L589	Y581-C588 CarbonylContact O-C 3.17Å; Y581-C588 WeakPolarHBondContact O-CA 3.45Å; Y581-L589 WeakPolarHBondContact CD1-O 3.33Å; Y581-L589 HydrophobicContact CE1-CB 4Å; Y581-L589 WeakPolarHBondContact CE1-O 3.05Å; Y581-L589 PolarHBondContact N-O 2.76Å; Y581-L589 PolarHBondContact O-N 2.95Å
582	S	80.5	Confident	70.1	Confident	52 Å²	52	102.4 Å²	102.4	36%	0.364	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131	176.7	56.5	0	0	0	0	111.5	Y557 H587	Y557-S582 VanDerWaalsContact CD1-CB 3.43Å; S582-H587 WeakPolarHBondContact CA-O 3.38Å
583	N	80.5	Confident	70.1	Confident	50 Å²	50	99 Å²	99	27%	0.267	50%	0.5	S	S	.	.			trans	-81.5	178.7	167.1	78.8	-8.3	0	0	0	111.9	T585 R586 H587 L589	N583-T585 PolarHBondContact ND2-OG1 2.9Å; N583-T585 PolarHBondContact O-N 2.95Å; N583-T585 WeakPolarHBondContact OD1-CA 3.42Å; N583-T585 PolarHBondContact OD1-N 2.82Å; N583-T585 PolarHBondContact OD1-OG1 2.91Å; N583-R586 WeakPolarHBondContact O-CA 3.47Å; N583-R586 PolarHBondContact O-N 2.91Å; N583-R586 PolarHBondContact OD1-N 2.66Å; N583-H587 PolarHBondContact N-O 2.81Å; N583-H587 PolarHBondContact OD1-N 3.45Å; N583-H587 PolarHBondContact OD1-O 3.44Å; N583-L589 HydrophobicContact CB-CD1 3.85Å; N583-L589 HydrophobicContact CB-CG 4.38Å
584	E	74.9	Confident	70	Confident	201 Å²	201	100 Å²	100	94%	0.939	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.1	178.4	-62.1	-178.3	169.9	0	0	113.4	R586	E584-R586 PolarHBondContact O-N 2.96Å
585	T	80.5	Confident	70	Confident	93 Å²	93	94.8 Å²	94.8	57%	0.571	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	18.5	173.9	67.6	0	0	0	0	113	N583 H587	N583-T585 PolarHBondContact ND2-OG1 2.9Å; N583-T585 PolarHBondContact O-N 2.95Å; N583-T585 WeakPolarHBondContact OD1-CA 3.42Å; N583-T585 PolarHBondContact OD1-N 2.82Å; N583-T585 PolarHBondContact OD1-OG1 2.91Å; T585-H587 PolarHBondContact O-N 2.84Å; T585-H587 VanDerWaalsContact O-N 3.08Å; T585-H587 PolarHBondContact O-ND1 3.16Å
586	R	82.4	Confident	69.7	Low	136 Å²	136	91.7 Å²	91.7	51%	0.513	48%	0.481	S	S	.	.	S	Bend	trans	56.4	18.1	179.4	-48.6	-165.6	-169.6	177	-1.4	116.3	L555 H556 Y557 Q558 N583 E584	L555-R586 PolarHBondContact O-NH1 3.16Å; H556-R586 WeakPolarHBondContact O-CD 3.37Å; H556-R586 PolarHBondContact O-NH1 2.92Å; Y557-R586 WeakPolarHBondContact CA-O 3.27Å; Y557-R586 WeakPolarHBondContact CB-O 3.39Å; Y557-R586 HydrophobicContact CD1-CB 3.91Å; Q558-R586 PolarHBondContact N-O 3.22Å; N583-R586 WeakPolarHBondContact O-CA 3.47Å; N583-R586 PolarHBondContact O-N 2.91Å; N583-R586 PolarHBondContact OD1-N 2.66Å; E584-R586 PolarHBondContact O-N 2.96Å
587	H	84.7	Confident	69.3	Low	74 Å²	74	92 Å²	92	34%	0.343	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-85.3	139.2	173.1	-72.5	46.7	0	0	0	110.1	Q558 S582 N583 T585	Q558-H587 CarbonylContact O-C 3.56Å; Q558-H587 WeakPolarHBondContact O-CA 3.43Å; S582-H587 WeakPolarHBondContact CA-O 3.38Å; N583-H587 PolarHBondContact N-O 2.81Å; N583-H587 PolarHBondContact OD1-N 3.45Å; N583-H587 PolarHBondContact OD1-O 3.44Å; T585-H587 PolarHBondContact O-N 2.84Å; T585-H587 VanDerWaalsContact O-N 3.08Å; T585-H587 PolarHBondContact O-ND1 3.16Å
588	C	85.3	Confident	68.5	Low	9 Å²	9	93.2 Å²	93.2	6%	0.061	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.3	178	-60.3	0	0	0	0	111.2	Q558 D559 C567 K580 Y581	Q558-C588 PolarHBondContact O-N 3.25Å; D559-C588 HydrophobicContact CB-CB 3.93Å; D559-C588 WeakPolarHBondContact OD1-CB 3.44Å; C567-C588 WeakPolarHBondContact CA-SG 3.34Å; C567-C588 HydrophobicContact CB-CB 3.73Å; C567-C588 WeakPolarHBondContact CB-SG 3.36Å; C567-C588 WeakPolarHBondContact SG-CA 3.48Å; C567-C588 WeakPolarHBondContact SG-CB 3.35Å; C567-C588 CovalentContact SG-SG 2.04Å; C567-C588 PolarHBondContact SG-SG 3.09Å; K580-C588 HydrophobicContact CB-CB 4.16Å; K580-C588 HydrophobicContact CD-CB 4.22Å; Y581-C588 CarbonylContact O-C 3.17Å; Y581-C588 WeakPolarHBondContact O-CA 3.45Å
589	L	81.1	Confident	67.5	Low	65 Å²	65	95 Å²	95	34%	0.34	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.4	-179.2	-60.8	-178	0	0	0	110.9	K580 Y581 N583	K580-L589 CarbonylContact C-O 3.59Å; K580-L589 WeakPolarHBondContact CA-O 3.4Å; Y581-L589 WeakPolarHBondContact CD1-O 3.33Å; Y581-L589 HydrophobicContact CE1-CB 4Å; Y581-L589 WeakPolarHBondContact CE1-O 3.05Å; Y581-L589 PolarHBondContact N-O 2.76Å; Y581-L589 PolarHBondContact O-N 2.95Å; N583-L589 HydrophobicContact CB-CD1 3.85Å; N583-L589 HydrophobicContact CB-CG 4.38Å
590	P	74.8	Confident	66.3	Low	92 Å²	92	95.6 Å²	95.6	60%	0.597	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	141.5	-178.3	28.1	-34.9	0	0	0	113.3
591	C	68.6	Low	64.8	Low	45 Å²	45	102 Å²	102	30%	0.304	56%	0.558	S	S	.	*			trans	-71.6	133.5	169.9	-64.5	0	0	0	0	110.6	W579 T593	W579-C591 HydrophobicContact CB-CB 4Å; W579-C591 PolarHBondContact O-N 3.07Å; C591-T593 PolarHBondContact O-N 2.63Å
592	N	58.8	Low	63.4	Low	164 Å²	164	102 Å²	102	88%	0.877	56%	0.564	S	S	*	*	S	Bend	trans	-90.7	11.1	-164.9	-149.4	8.3	0	0	0	115.2
593	T	54.7	Low	62	Low	100 Å²	100	103.5 Å²	103.5	61%	0.613	57%	0.568	S	S	*	*	S	Bend	trans	-152.3	152.5	-178.4	40.4	0	0	0	0	112.4	C591 C595	C591-T593 PolarHBondContact O-N 2.63Å; T593-C595 VanDerWaalsContact C-N 3.26Å; T593-C595 PolarHBondContact O-N 2.97Å; T593-C595 PolarHBondContact OG1-SG 3.41Å; T593-C595 VanDerWaalsContact OG1-SG 3.38Å
594	N	50.2	Low	60.4	Low	158 Å²	158	110.7 Å²	110.7	85%	0.845	60%	0.6	S	S	*	*			trans	-70	72.1	175.2	-78.8	-19.2	0	0	0	112.6
595	C	48.8	Very low	59.4	Low	58 Å²	58	111.8 Å²	111.8	39%	0.392	60%	0.596	S	S	.	*			trans	-84.8	123.6	175.9	-66	0	0	0	0	111.1	T593	T593-C595 VanDerWaalsContact C-N 3.26Å; T593-C595 PolarHBondContact O-N 2.97Å; T593-C595 PolarHBondContact OG1-SG 3.41Å; T593-C595 VanDerWaalsContact OG1-SG 3.38Å
596	T	46.3	Very low	58	Low	139 Å²	139	109 Å²	109	85%	0.853	59%	0.585	S	S	*	*			trans	-97.7	9	178.3	44.7	0	0	0	0	114.2
597	L	46.8	Very low	56.1	Low	143 Å²	143	106.4 Å²	106.4	75%	0.749	59%	0.587	S	S	*	*	S	Bend	trans	-126.4	150.8	175.8	-105.9	81.4	0	0	0	111.7	C599	L597-C599 PolarHBondContact O-N 3.3Å
598	S	45.1	Very low	53.9	Low	84 Å²	84	108.1 Å²	108.1	59%	0.587	61%	0.605	S	S	*	*			trans	-57.5	123.3	-176.8	-173.9	0	0	0	0	113.4	T600	S598-T600 PolarHBondContact O-N 3.39Å; S598-T600 WeakPolarHBondContact OG-CG2 3.35Å; S598-T600 PolarHBondContact OG-OG1 2.75Å
599	C	47.5	Very low	51.9	Low	77 Å²	77	114.9 Å²	114.9	52%	0.52	64%	0.639	S	S	.	*	S	Bend	trans	-79.2	44.5	-179.3	-54.2	0	0	0	0	113.5	L597	L597-C599 PolarHBondContact O-N 3.3Å
600	T	44.8	Very low	49.8	Very low	110 Å²	110	117.2 Å²	117.2	68%	0.675	65%	0.652	S	S	*	*	S	Bend	trans	-108.8	-4.6	-169.3	45.4	0	0	0	0	115.4	S598	S598-T600 PolarHBondContact O-N 3.39Å; S598-T600 WeakPolarHBondContact OG-CG2 3.35Å; S598-T600 PolarHBondContact OG-OG1 2.75Å
601	M	46.9	Very low	48	Very low	166 Å²	166	119.1 Å²	119.1	82%	0.818	66%	0.662	S	S	*	*			trans	-147.7	129.1	173.7	-68.9	-70.5	-77.1	0	0	109.7
602	M	48.2	Very low	46.7	Very low	127 Å²	127	125 Å²	125	63%	0.626	68%	0.682	S	S	*	*			trans	-146	157.8	174	-76.5	-174.9	168.5	0	0	110.3
603	D	50.6	Low	45.4	Very low	82 Å²	82	124.3 Å²	124.3	44%	0.439	68%	0.684	S	S	.	*			trans	-85.6	176.1	165.5	82	-30.3	0	0	0	111.3	R605 G606 C607	D603-R605 PolarHBondContact O-N 2.83Å; D603-R605 PolarHBondContact OD1-N 2.03Å; D603-G606 PolarHBondContact O-N 2.83Å; D603-G606 PolarHBondContact OD1-N 2.88Å; D603-C607 PolarHBondContact OD1-N 3.18Å; D603-C607 VanDerWaalsContact OD1-N 3.12Å
604	E	48.2	Very low	44.3	Very low	201 Å²	201	122.7 Å²	122.7	94%	0.939	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-1.4	-179.9	-66.8	-169	151.2	0	0	114.7
605	R	53.6	Low	43.5	Very low	224 Å²	224	121.7 Å²	121.7	85%	0.845	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	15.1	173.1	-78.3	178.8	-75.9	-168.5	-6.2	114.4	D603	D603-R605 PolarHBondContact O-N 2.83Å; D603-R605 PolarHBondContact OD1-N 2.03Å
606	G	51.1	Low	42.8	Very low	34 Å²	34	122.6 Å²	122.6	35%	0.351	71%	0.712	S	S	.	*			trans	81.9	21	160.5	0	0	0	0	0	117	D603	D603-G606 PolarHBondContact O-N 2.83Å; D603-G606 PolarHBondContact OD1-N 2.88Å
607	C	41.6	Very low	42.3	Very low	83 Å²	83	122.1 Å²	122.1	56%	0.561	71%	0.709	S	S	*	*			trans	-114.4	135.4	-177.6	-82	0	0	0	0	113.6	D603	D603-C607 PolarHBondContact OD1-N 3.18Å; D603-C607 VanDerWaalsContact OD1-N 3.12Å
608	P	39.1	Very low	41.8	Very low	110 Å²	110	120.7 Å²	120.7	71%	0.714	71%	0.706	S	S	*	*			trans	-69.8	147.9	172.7	-20.2	33.5	0	0	0	113.7
609	I	42.7	Very low	41.7	Very low	151 Å²	151	124.5 Å²	124.5	77%	0.774	72%	0.718	S	S	*	*			trans	-94.6	129.1	178.2	-60.5	172.7	0	0	0	110.1
610	D	37.7	Very low	41.3	Very low	114 Å²	114	125 Å²	125	61%	0.61	73%	0.728	S	S	*	*			trans	-106.1	109.6	-173.9	-174.8	35.7	0	0	0	111.6	K612	D610-K612 VanDerWaalsContact OD2-CE 3.31Å; D610-K612 WeakPolarHBondContact OD2-CE 3.5Å; D610-K612 IonicContact OD2-NZ 2.89Å; D610-K612 PolarHBondContact OD2-NZ 3.15Å
611	T	36.8	Very low	41.6	Very low	131 Å²	131	125 Å²	125	80%	0.804	74%	0.739	S	S	*	*			trans	-98.2	104.2	-178.5	53.5	0	0	0	0	112.4
612	K	40.5	Very low	41.8	Very low	168 Å²	168	120.7 Å²	120.7	73%	0.73	73%	0.73	S	S	*	*			trans	-105.7	128.2	179.3	-73.9	176.2	172	118.3	0	114	D610	D610-K612 VanDerWaalsContact OD2-CE 3.31Å; D610-K612 WeakPolarHBondContact OD2-CE 3.5Å; D610-K612 IonicContact OD2-NZ 2.89Å; D610-K612 PolarHBondContact OD2-NZ 3.15Å
613	T	32.4	Very low	42	Very low	150 Å²	150	121.7 Å²	121.7	92%	0.92	74%	0.736	S	S	*	*			trans	-155.9	143.8	155.1	45.8	0	0	0	0	108.6
614	G	31.7	Very low	42.1	Very low	66 Å²	66	119.7 Å²	119.7	68%	0.68	74%	0.735	S	S	*	*			cis	-154.4	142.3	-9.7	0	0	0	0	0	108.7
615	S	33.3	Very low	42.5	Very low	138 Å²	138	112.5 Å²	112.5	97%	0.965	72%	0.715	S	S	*	*				60.8	112	100.2	-162.4	0	0	0	0	115
616	G	33	Very low	42.9	Very low	76 Å²	76	106.5 Å²	106.5	78%	0.784	70%	0.703	S	S	*	*			trans	170.8	62.8	-178.8	0	0	0	0	0	115.2
617	T	36.4	Very low	43.4	Very low	129 Å²	129	107 Å²	107	79%	0.791	70%	0.704	S	S	*	*			trans	-74.7	165.4	164.8	61.3	0	0	0	0	109.6
618	T	36.6	Very low	44.7	Very low	113 Å²	113	108.1 Å²	108.1	69%	0.693	70%	0.704	S	S	*	*			cis	-168.7	159.9	36.4	-20	0	0	0	0	111
619	I	42.6	Very low	46.4	Very low	164 Å²	164	109.2 Å²	109.2	84%	0.841	70%	0.697	S	S	*	*			trans	59.8	102.3	156.8	-55.2	156.5	0	0	0	118.5
620	A	39.6	Very low	47.9	Very low	88 Å²	88	107.1 Å²	107.1	73%	0.727	69%	0.687	S	S	*	*			trans	-156.4	21.1	148.2	0	0	0	0	0	113.4	A622	A620-A622 PolarHBondContact O-N 3.2Å
621	A	52.1	Low	49.9	Very low	110 Å²	110	106.5 Å²	106.5	91%	0.909	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	75.1	-168	0	0	0	0	0	113.6
622	A	50.6	Low	51.9	Low	76 Å²	76	105 Å²	105	63%	0.628	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.1	-63.1	163.8	0	0	0	0	0	111.6	A620 G625	A620-A622 PolarHBondContact O-N 3.2Å; A622-G625 PolarHBondContact O-N 3.24Å
623	I	52	Low	53.7	Low	148 Å²	148	101.1 Å²	101.1	76%	0.759	66%	0.655	S	S	*	*	H	α-helix	trans	-72	-36.3	-174.9	-58	174.2	0	0	0	111.1	G625 V626 A627	I623-G625 PolarHBondContact O-N 2.87Å; I623-V626 PolarHBondContact O-N 3.36Å; I623-A627 PolarHBondContact O-N 3.24Å
624	G	53.3	Low	56	Low	40 Å²	40	95.8 Å²	95.8	41%	0.412	63%	0.631	S	S	.	*	H	α-helix	trans	-58.3	-28.3	175.7	0	0	0	0	0	113.7	L628	G624-L628 WeakPolarHBondContact O-CA 3.21Å; G624-L628 WeakPolarHBondContact O-CB 3.38Å; G624-L628 PolarHBondContact O-N 3.47Å
625	G	56.9	Low	58.4	Low	49 Å²	49	97.1 Å²	97.1	51%	0.505	62%	0.622	S	S	.	*	H	α-helix	trans	-65.2	-45.9	179	0	0	0	0	0	112.9	A622 I623 F629	A622-G625 PolarHBondContact O-N 3.24Å; I623-G625 PolarHBondContact O-N 2.87Å; G625-F629 VanDerWaalsContact O-CB 3.22Å; G625-F629 WeakPolarHBondContact O-CB 3.08Å; G625-F629 PolarHBondContact O-N 2.94Å
626	V	60	Low	60.6	Low	98 Å²	98	94.8 Å²	94.8	59%	0.594	60%	0.598	S	S	*	*	H	α-helix	trans	-73.3	-41.4	178.5	-178	0	0	0	0	110.8	I623 F629 I630	I623-V626 PolarHBondContact O-N 3.36Å; V626-F629 PolarHBondContact O-N 2.03Å; V626-I630 HydrophobicContact CG1-CD1 3.91Å; V626-I630 HydrophobicContact CG1-CG1 4.5Å; V626-I630 WeakPolarHBondContact O-CB 3.49Å; V626-I630 WeakPolarHBondContact O-CG1 3.3Å; V626-I630 PolarHBondContact O-N 3.31Å
627	A	62.5	Low	62.7	Low	46 Å²	46	94.6 Å²	94.6	38%	0.38	58%	0.582	S	S	.	*	H	α-helix	trans	-62.1	-45.2	175.8	0	0	0	0	0	111.8	I623 I630 I631	I623-A627 PolarHBondContact O-N 3.24Å; A627-I630 PolarHBondContact O-N 2.85Å; A627-I631 WeakPolarHBondContact O-CB 3.44Å; A627-I631 WeakPolarHBondContact O-CD1 3.36Å; A627-I631 VanDerWaalsContact O-CG1 3.22Å; A627-I631 WeakPolarHBondContact O-CG1 3.42Å; A627-I631 PolarHBondContact O-N 2.81Å
628	L	69.8	Low	64.7	Low	106 Å²	106	94.2 Å²	94.2	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-75.1	-27.7	179.7	-165.9	138.9	0	0	0	112.2	G624 L632	G624-L628 WeakPolarHBondContact O-CA 3.21Å; G624-L628 WeakPolarHBondContact O-CB 3.38Å; G624-L628 PolarHBondContact O-N 3.47Å; L628-L632 HydrophobicContact CD2-CD1 3.58Å; L628-L632 HydrophobicContact CD2-CG 4.03Å; L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 VanDerWaalsContact O-CG 3.27Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.22Å
629	F	73.1	Confident	66.6	Low	132 Å²	132	95.1 Å²	95.1	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-69.4	-40.4	167.3	-172.3	-97.1	0	0	0	111.9	G625 V626 I631 L632 L633	G625-F629 VanDerWaalsContact O-CB 3.22Å; G625-F629 WeakPolarHBondContact O-CB 3.08Å; G625-F629 PolarHBondContact O-N 2.94Å; V626-F629 PolarHBondContact O-N 2.03Å; F629-I631 VanDerWaalsContact C-N 3.34Å; F629-L632 PolarHBondContact O-N 2.9Å; F629-L633 HydrophobicContact CE1-CD2 4.43Å; F629-L633 WeakPolarHBondContact O-CB 3.36Å; F629-L633 PolarHBondContact O-N 3.49Å
630	I	74.6	Confident	68.3	Low	108 Å²	108	91.4 Å²	91.4	55%	0.554	54%	0.542	S	S	*	.	H	α-helix	trans	-68.2	-34.6	173.8	-70.4	171.3	0	0	0	111.1	V626 A627 G634	V626-I630 HydrophobicContact CG1-CD1 3.91Å; V626-I630 HydrophobicContact CG1-CG1 4.5Å; V626-I630 WeakPolarHBondContact O-CB 3.49Å; V626-I630 WeakPolarHBondContact O-CG1 3.3Å; V626-I630 PolarHBondContact O-N 3.31Å; A627-I630 PolarHBondContact O-N 2.85Å; I630-G634 WeakPolarHBondContact O-CA 3.48Å; I630-G634 PolarHBondContact O-N 3Å
631	I	79.5	Confident	69.6	Low	100 Å²	100	94 Å²	94	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-71.8	-39.6	173.3	-70.9	163.1	0	0	0	110.9	A627 F629 G634 L635	A627-I631 WeakPolarHBondContact O-CB 3.44Å; A627-I631 WeakPolarHBondContact O-CD1 3.36Å; A627-I631 VanDerWaalsContact O-CG1 3.22Å; A627-I631 WeakPolarHBondContact O-CG1 3.42Å; A627-I631 PolarHBondContact O-N 2.81Å; F629-I631 VanDerWaalsContact C-N 3.34Å; I631-G634 CarbonylContact O-C 3.51Å; I631-G634 PolarHBondContact O-N 3.27Å; I631-L635 HydrophobicContact CG2-CD1 3.82Å; I631-L635 HydrophobicContact CG2-CG 4.3Å; I631-L635 WeakPolarHBondContact O-CA 3.33Å; I631-L635 WeakPolarHBondContact O-CB 3.41Å; I631-L635 WeakPolarHBondContact O-CG 3.44Å; I631-L635 PolarHBondContact O-N 3.38Å
632	L	78.6	Confident	70.4	Confident	100 Å²	100	95.7 Å²	95.7	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-71.4	-38	174.8	-77.8	177	0	0	0	112.4	L628 F629 L635 L636	L628-L632 HydrophobicContact CD2-CD1 3.58Å; L628-L632 HydrophobicContact CD2-CG 4.03Å; L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.33Å; L628-L632 VanDerWaalsContact O-CG 3.27Å; L628-L632 WeakPolarHBondContact O-CG 3.37Å; L628-L632 PolarHBondContact O-N 3.22Å; F629-L632 PolarHBondContact O-N 2.9Å; L632-L635 CarbonylContact O-C 3.6Å; L632-L635 PolarHBondContact O-N 2.89Å; L632-L636 WeakPolarHBondContact O-CA 3.13Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 3.17Å
633	L	79.1	Confident	70.9	Confident	86 Å²	86	95.6 Å²	95.6	45%	0.45	51%	0.506	S	S	.	.	H	α-helix	trans	-69.6	-36.6	172.8	-165.2	76.7	0	0	0	110.4	F629 L636 V637	F629-L633 HydrophobicContact CE1-CD2 4.43Å; F629-L633 WeakPolarHBondContact O-CB 3.36Å; F629-L633 PolarHBondContact O-N 3.49Å; L633-L636 PolarHBondContact O-N 2.96Å; L633-V637 VanDerWaalsContact O-CB 3.25Å; L633-V637 WeakPolarHBondContact O-CB 3.41Å; L633-V637 VanDerWaalsContact O-CG2 3.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.01Å; L633-V637 PolarHBondContact O-N 2.88Å
634	G	81.3	Confident	71.1	Confident	39 Å²	39	92.3 Å²	92.3	40%	0.402	49%	0.493	S	S	.	.	H	α-helix	trans	-68.1	-38	172.7	0	0	0	0	0	112.7	I630 I631 F638	I630-G634 WeakPolarHBondContact O-CA 3.48Å; I630-G634 PolarHBondContact O-N 3Å; I631-G634 CarbonylContact O-C 3.51Å; I631-G634 PolarHBondContact O-N 3.27Å; G634-F638 WeakPolarHBondContact O-CA 2.98Å; G634-F638 WeakPolarHBondContact O-CB 3.27Å; G634-F638 PolarHBondContact O-N 3.01Å
635	L	80.8	Confident	71.2	Confident	94 Å²	94	97.8 Å²	97.8	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-74.7	-30.5	172.6	-77.2	170.7	0	0	0	111.9	I631 L632 F638 Y639	I631-L635 HydrophobicContact CG2-CD1 3.82Å; I631-L635 HydrophobicContact CG2-CG 4.3Å; I631-L635 WeakPolarHBondContact O-CA 3.33Å; I631-L635 WeakPolarHBondContact O-CB 3.41Å; I631-L635 WeakPolarHBondContact O-CG 3.44Å; I631-L635 PolarHBondContact O-N 3.38Å; L632-L635 CarbonylContact O-C 3.6Å; L632-L635 PolarHBondContact O-N 2.89Å; L635-F638 CarbonylContact O-C 3.5Å; L635-Y639 WeakPolarHBondContact O-CA 3.36Å; L635-Y639 WeakPolarHBondContact O-CB 3.4Å; L635-Y639 PolarHBondContact O-N 2.8Å
636	L	79.9	Confident	71.2	Confident	89 Å²	89	99.6 Å²	99.6	47%	0.466	50%	0.502	S	S	.	.	H	α-helix	trans	-75.6	-40.6	173.1	-178.9	63.3	0	0	0	110.6	L632 L633 F638 Y639 L640	L632-L636 WeakPolarHBondContact O-CA 3.13Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 3.17Å; L633-L636 PolarHBondContact O-N 2.96Å; L636-F638 VanDerWaalsContact C-N 3.33Å; L636-Y639 CarbonylContact O-C 3.56Å; L636-Y639 PolarHBondContact O-N 2.6Å; L636-L640 HydrophobicContact CD1-CD1 4.08Å; L636-L640 HydrophobicContact CD1-CG 4.13Å; L636-L640 HydrophobicContact CG-CD1 3.99Å; L636-L640 HydrophobicContact CG-CG 4.42Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.02Å
637	V	78.6	Confident	71	Confident	72 Å²	72	101 Å²	101	44%	0.436	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-33.1	170.3	169.4	0	0	0	0	110.4	L633 K641	L633-V637 VanDerWaalsContact O-CB 3.25Å; L633-V637 WeakPolarHBondContact O-CB 3.41Å; L633-V637 VanDerWaalsContact O-CG2 3.24Å; L633-V637 WeakPolarHBondContact O-CG2 3.01Å; L633-V637 PolarHBondContact O-N 2.88Å; V637-K641 HydrophobicContact CG1-CD 4.27Å; V637-K641 HydrophobicContact CG1-CG 4.43Å; V637-K641 WeakPolarHBondContact O-CA 3.4Å; V637-K641 WeakPolarHBondContact O-CB 3.17Å; V637-K641 VanDerWaalsContact O-CG 3.24Å; V637-K641 WeakPolarHBondContact O-CG 3.38Å; V637-K641 PolarHBondContact O-N 3Å
638	F	77.6	Confident	70.5	Confident	121 Å²	121	107.7 Å²	107.7	53%	0.531	52%	0.515	S	S	.	.	H	α-helix	trans	-73.5	-32.4	170.7	179.7	-99.7	0	0	0	112	G634 L635 L636 K641 R642	G634-F638 WeakPolarHBondContact O-CA 2.98Å; G634-F638 WeakPolarHBondContact O-CB 3.27Å; G634-F638 PolarHBondContact O-N 3.01Å; L635-F638 CarbonylContact O-C 3.5Å; L636-F638 VanDerWaalsContact C-N 3.33Å; F638-K641 CarbonylContact O-C 3.56Å; F638-R642 WeakPolarHBondContact O-CA 3.37Å; F638-R642 WeakPolarHBondContact O-CB 3.02Å; F638-R642 PolarHBondContact O-N 3.27Å
639	Y	77.3	Confident	69.5	Low	131 Å²	131	108.1 Å²	108.1	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-80	-32	177	-178.6	-97.3	0	0	0	111.7	L635 L636 R642 Q643	L635-Y639 WeakPolarHBondContact O-CA 3.36Å; L635-Y639 WeakPolarHBondContact O-CB 3.4Å; L635-Y639 PolarHBondContact O-N 2.8Å; L636-Y639 CarbonylContact O-C 3.56Å; L636-Y639 PolarHBondContact O-N 2.6Å; Y639-R642 CarbonylContact O-C 3.53Å; Y639-R642 PolarHBondContact O-N 2.88Å; Y639-Q643 HydrophobicContact CD1-CG 4.26Å; Y639-Q643 HydrophobicContact CE1-CG 3.85Å; Y639-Q643 VanDerWaalsContact CE1-NE2 3.31Å; Y639-Q643 WeakPolarHBondContact O-CA 3.48Å; Y639-Q643 VanDerWaalsContact O-CB 3.28Å; Y639-Q643 WeakPolarHBondContact O-CB 3.25Å; Y639-Q643 WeakPolarHBondContact O-CG 3.33Å; Y639-Q643 PolarHBondContact O-N 2.85Å; Y639-Q643 PolarHBondContact OH-NE2 2.69Å
640	L	76.3	Confident	68.7	Low	87 Å²	87	107 Å²	107	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-78.5	-36.5	170.1	-69	172.8	0	0	0	110.9	L636 R642 T644	L636-L640 HydrophobicContact CD1-CD1 4.08Å; L636-L640 HydrophobicContact CD1-CG 4.13Å; L636-L640 HydrophobicContact CG-CD1 3.99Å; L636-L640 HydrophobicContact CG-CG 4.42Å; L636-L640 WeakPolarHBondContact O-CB 3.28Å; L636-L640 WeakPolarHBondContact O-CG 3.44Å; L636-L640 PolarHBondContact O-N 3.02Å; L640-R642 VanDerWaalsContact C-N 3.32Å; L640-T644 VanDerWaalsContact O-CB 3.29Å; L640-T644 WeakPolarHBondContact O-CB 3.16Å; L640-T644 WeakPolarHBondContact O-CG2 3.31Å; L640-T644 PolarHBondContact O-N 2.77Å; L640-T644 PolarHBondContact O-OG1 2.88Å
641	K	68.3	Low	67.2	Low	142 Å²	142	105.5 Å²	105.5	62%	0.617	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-29.8	164.5	-78	-175.4	173.3	-179.9	0	111.8	V637 F638 T644 K645	V637-K641 HydrophobicContact CG1-CD 4.27Å; V637-K641 HydrophobicContact CG1-CG 4.43Å; V637-K641 WeakPolarHBondContact O-CA 3.4Å; V637-K641 WeakPolarHBondContact O-CB 3.17Å; V637-K641 VanDerWaalsContact O-CG 3.24Å; V637-K641 WeakPolarHBondContact O-CG 3.38Å; V637-K641 PolarHBondContact O-N 3Å; F638-K641 CarbonylContact O-C 3.56Å; K641-T644 WeakPolarHBondContact CA-OG1 3.44Å; K641-K645 WeakPolarHBondContact O-CA 3.35Å; K641-K645 WeakPolarHBondContact O-CB 3.4Å; K641-K645 PolarHBondContact O-N 2.98Å
642	R	68	Low	65.5	Low	146 Å²	146	105.7 Å²	105.7	55%	0.551	51%	0.505	S	S	*	.	H	α-helix	trans	-83.5	-28.5	175.3	-176	174.8	177	180	-1.3	111.7	F638 Y639 L640 K645 M646	F638-R642 WeakPolarHBondContact O-CA 3.37Å; F638-R642 WeakPolarHBondContact O-CB 3.02Å; F638-R642 PolarHBondContact O-N 3.27Å; Y639-R642 CarbonylContact O-C 3.53Å; Y639-R642 PolarHBondContact O-N 2.88Å; L640-R642 VanDerWaalsContact C-N 3.32Å; R642-K645 CarbonylContact O-C 3.58Å; R642-M646 HydrophobicContact CG-CG 4Å; R642-M646 WeakPolarHBondContact O-CA 3.38Å; R642-M646 WeakPolarHBondContact O-CB 3.1Å; R642-M646 WeakPolarHBondContact O-CG 3.42Å; R642-M646 PolarHBondContact O-N 3.39Å
643	Q	61.4	Low	64	Low	74 Å²	74	108.5 Å²	108.5	35%	0.346	51%	0.509	S	S	.	.	H	α-helix	trans	-72.8	-46.1	167.6	-83.9	-159	-5.5	0	0	109.8	Y639 K645 M646 K647	Y639-Q643 HydrophobicContact CD1-CG 4.26Å; Y639-Q643 HydrophobicContact CE1-CG 3.85Å; Y639-Q643 VanDerWaalsContact CE1-NE2 3.31Å; Y639-Q643 WeakPolarHBondContact O-CA 3.48Å; Y639-Q643 VanDerWaalsContact O-CB 3.28Å; Y639-Q643 WeakPolarHBondContact O-CB 3.25Å; Y639-Q643 WeakPolarHBondContact O-CG 3.33Å; Y639-Q643 PolarHBondContact O-N 2.85Å; Y639-Q643 PolarHBondContact OH-NE2 2.69Å; Q643-K645 VanDerWaalsContact C-N 3.3Å; Q643-K645 PolarHBondContact O-N 2.85Å; Q643-M646 PolarHBondContact O-N 2.75Å; Q643-K647 WeakPolarHBondContact O-CA 3.27Å; Q643-K647 WeakPolarHBondContact O-CB 3.4Å; Q643-K647 WeakPolarHBondContact O-CG 3.43Å; Q643-K647 PolarHBondContact O-N 3.46Å
644	T	57.3	Low	62.4	Low	78 Å²	78	113.6 Å²	113.6	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-71.6	-21.2	174.5	57.6	0	0	0	0	113	L640 K641 R648	L640-T644 VanDerWaalsContact O-CB 3.29Å; L640-T644 WeakPolarHBondContact O-CB 3.16Å; L640-T644 WeakPolarHBondContact O-CG2 3.31Å; L640-T644 PolarHBondContact O-N 2.77Å; L640-T644 PolarHBondContact O-OG1 2.88Å; K641-T644 WeakPolarHBondContact CA-OG1 3.44Å; T644-R648 WeakPolarHBondContact O-CA 3.41Å; T644-R648 WeakPolarHBondContact O-CB 3.45Å; T644-R648 WeakPolarHBondContact O-CG 3.21Å; T644-R648 PolarHBondContact O-N 2.78Å
645	K	54.4	Low	60.5	Low	155 Å²	155	118.5 Å²	118.5	67%	0.674	53%	0.53	S	S	*	.	H	α-helix	trans	-94.6	-10.6	170	-169.4	176.8	179.1	179.5	0	113.6	K641 R642 Q643 K649	K641-K645 WeakPolarHBondContact O-CA 3.35Å; K641-K645 WeakPolarHBondContact O-CB 3.4Å; K641-K645 PolarHBondContact O-N 2.98Å; R642-K645 CarbonylContact O-C 3.58Å; Q643-K645 VanDerWaalsContact C-N 3.3Å; Q643-K645 PolarHBondContact O-N 2.85Å; K645-K649 WeakPolarHBondContact O-CB 3.26Å; K645-K649 PolarHBondContact O-N 2.93Å
646	M	56.5	Low	58.5	Low	87 Å²	87	117.8 Å²	117.8	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-88.9	-50	165.9	-75.3	-69.6	-64	0	0	108.7	R642 Q643 R648 K649 E650	R642-M646 HydrophobicContact CG-CG 4Å; R642-M646 WeakPolarHBondContact O-CA 3.38Å; R642-M646 WeakPolarHBondContact O-CB 3.1Å; R642-M646 WeakPolarHBondContact O-CG 3.42Å; R642-M646 PolarHBondContact O-N 3.39Å; Q643-M646 PolarHBondContact O-N 2.75Å; M646-R648 PolarHBondContact O-N 3.06Å; M646-K649 CarbonylContact O-C 3.59Å; M646-K649 WeakPolarHBondContact O-CA 3.07Å; M646-K649 PolarHBondContact O-N 3.06Å; M646-E650 WeakPolarHBondContact O-CB 3.34Å; M646-E650 VanDerWaalsContact O-CG 3.26Å; M646-E650 WeakPolarHBondContact O-CG 3.32Å; M646-E650 PolarHBondContact O-N 2.78Å
647	K	56.7	Low	56.6	Low	128 Å²	128	121.2 Å²	121.2	56%	0.557	54%	0.54	S	S	*	.	H	α-helix	trans	-55.5	-50.7	165.9	-66.6	-175.7	175	-176.1	0	110.8	Q643 K649 E650 T651	Q643-K647 WeakPolarHBondContact O-CA 3.27Å; Q643-K647 WeakPolarHBondContact O-CB 3.4Å; Q643-K647 WeakPolarHBondContact O-CG 3.43Å; Q643-K647 PolarHBondContact O-N 3.46Å; K647-K649 VanDerWaalsContact C-N 3.28Å; K647-K649 PolarHBondContact O-N 2.94Å; K647-E650 PolarHBondContact O-N 2.79Å; K647-E650 VanDerWaalsContact O-N 3.09Å; K647-T651 VanDerWaalsContact O-CB 3.28Å; K647-T651 WeakPolarHBondContact O-CB 3.03Å; K647-T651 PolarHBondContact O-N 2.72Å; K647-T651 PolarHBondContact O-OG1 3.25Å
648	R	51.3	Low	54.7	Low	186 Å²	186	124.8 Å²	124.8	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-23	169.1	-72.5	175	172	-174.4	-3.2	113.5	T644 M646 E650 M652	T644-R648 WeakPolarHBondContact O-CA 3.41Å; T644-R648 WeakPolarHBondContact O-CB 3.45Å; T644-R648 WeakPolarHBondContact O-CG 3.21Å; T644-R648 PolarHBondContact O-N 2.78Å; M646-R648 PolarHBondContact O-N 3.06Å; R648-E650 VanDerWaalsContact C-N 3.34Å; R648-M652 WeakPolarHBondContact O-CA 3.48Å; R648-M652 WeakPolarHBondContact O-CB 3.46Å; R648-M652 PolarHBondContact O-N 2.95Å
649	K	49.9	Very low	52.4	Low	116 Å²	116	124.6 Å²	124.6	50%	0.504	55%	0.552	S	S	.	*	H	α-helix	trans	-88.8	1.1	172.8	-169.7	173.4	-178	-175.3	0	113.3	K645 M646 K647 R653	K645-K649 WeakPolarHBondContact O-CB 3.26Å; K645-K649 PolarHBondContact O-N 2.93Å; M646-K649 CarbonylContact O-C 3.59Å; M646-K649 WeakPolarHBondContact O-CA 3.07Å; M646-K649 PolarHBondContact O-N 3.06Å; K647-K649 VanDerWaalsContact C-N 3.28Å; K647-K649 PolarHBondContact O-N 2.94Å; K649-R653 WeakPolarHBondContact O-CB 3.38Å; K649-R653 VanDerWaalsContact O-CD 3.23Å; K649-R653 WeakPolarHBondContact O-CD 3.37Å; K649-R653 WeakPolarHBondContact O-CG 3.13Å; K649-R653 PolarHBondContact O-N 3.04Å
650	E	54.5	Low	50.3	Low	107 Å²	107	126.1 Å²	126.1	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-105.2	-52.7	171.6	-73.1	154.9	-177.2	0	0	108.4	M646 K647 R648 M652 R653 R654	M646-E650 WeakPolarHBondContact O-CB 3.34Å; M646-E650 VanDerWaalsContact O-CG 3.26Å; M646-E650 WeakPolarHBondContact O-CG 3.32Å; M646-E650 PolarHBondContact O-N 2.78Å; K647-E650 PolarHBondContact O-N 2.79Å; K647-E650 VanDerWaalsContact O-N 3.09Å; R648-E650 VanDerWaalsContact C-N 3.34Å; E650-M652 PolarHBondContact O-N 2.79Å; E650-R653 PolarHBondContact O-N 3.46Å; E650-R653 VanDerWaalsContact O-N 3.11Å; E650-R654 PolarHBondContact O-N 3.05Å
651	T	44.8	Very low	48.5	Very low	78 Å²	78	127.4 Å²	127.4	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-59.5	-41.8	168.3	-47.5	0	0	0	0	111.8	K647 R654 Y655	K647-T651 VanDerWaalsContact O-CB 3.28Å; K647-T651 WeakPolarHBondContact O-CB 3.03Å; K647-T651 PolarHBondContact O-N 2.72Å; K647-T651 PolarHBondContact O-OG1 3.25Å; T651-R654 PolarHBondContact O-N 3.21Å; T651-Y655 HydrophobicContact CG2-CD2 4.25Å; T651-Y655 HydrophobicContact CG2-CE2 4.49Å; T651-Y655 WeakPolarHBondContact O-CD2 3.38Å; T651-Y655 PolarHBondContact O-N 3.21Å
652	M	43.8	Very low	47.4	Very low	103 Å²	103	125.3 Å²	125.3	51%	0.507	57%	0.57	S	S	.	*	H	α-helix	trans	-93.6	7.4	173.1	-151.2	169.5	164.4	0	0	113.1	R648 E650 L656	R648-M652 WeakPolarHBondContact O-CA 3.48Å; R648-M652 WeakPolarHBondContact O-CB 3.46Å; R648-M652 PolarHBondContact O-N 2.95Å; E650-M652 PolarHBondContact O-N 2.79Å; M652-L656 HydrophobicContact CE-CD1 4.47Å; M652-L656 HydrophobicContact CE-CG 4.45Å; M652-L656 HydrophobicContact CG-CD1 4.15Å; M652-L656 HydrophobicContact CG-CG 3.99Å; M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CD1 3.25Å; M652-L656 VanDerWaalsContact O-CG 3.25Å; M652-L656 WeakPolarHBondContact O-CG 3.22Å; M652-L656 PolarHBondContact O-N 3.04Å; M652-L656 VanDerWaalsContact O-N 3.14Å
653	R	47	Very low	45.5	Very low	160 Å²	160	127.1 Å²	127.1	60%	0.604	58%	0.584	S	S	*	*	H	α-helix	trans	-84.1	-37.4	151.1	-95	176.6	169.6	-179.1	-9.1	110.8	K649 E650 Q657	K649-R653 WeakPolarHBondContact O-CB 3.38Å; K649-R653 VanDerWaalsContact O-CD 3.23Å; K649-R653 WeakPolarHBondContact O-CD 3.37Å; K649-R653 WeakPolarHBondContact O-CG 3.13Å; K649-R653 PolarHBondContact O-N 3.04Å; E650-R653 PolarHBondContact O-N 3.46Å; E650-R653 VanDerWaalsContact O-N 3.11Å; R653-Q657 WeakPolarHBondContact O-CB 3.15Å; R653-Q657 PolarHBondContact O-N 3.06Å
654	R	44.8	Very low	44.2	Very low	192 Å²	192	128.6 Å²	128.6	73%	0.725	60%	0.601	S	S	*	*	H	α-helix	trans	-59.4	-57.8	166.6	-78.3	-179.1	161.3	161.1	-5.7	110.7	E650 T651 L656 Q657 E658	E650-R654 PolarHBondContact O-N 3.05Å; T651-R654 PolarHBondContact O-N 3.21Å; R654-L656 PolarHBondContact O-N 2.83Å; R654-Q657 PolarHBondContact O-N 2.92Å; R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 WeakPolarHBondContact O-CG 3.44Å; R654-E658 PolarHBondContact O-N 3.45Å
655	Y	40.5	Very low	42.9	Very low	142 Å²	142	133.1 Å²	133.1	56%	0.557	62%	0.621	S	S	*	*	H	α-helix	trans	-61	-40.4	177.3	-89.3	-91.4	0	0	0	114.4	T651 E658 Q659	T651-Y655 HydrophobicContact CG2-CD2 4.25Å; T651-Y655 HydrophobicContact CG2-CE2 4.49Å; T651-Y655 WeakPolarHBondContact O-CD2 3.38Å; T651-Y655 PolarHBondContact O-N 3.21Å; Y655-E658 PolarHBondContact O-N 3.46Å; Y655-Q659 VanDerWaalsContact O-CB 3.24Å; Y655-Q659 WeakPolarHBondContact O-CB 3.39Å; Y655-Q659 VanDerWaalsContact O-CG 3.27Å; Y655-Q659 WeakPolarHBondContact O-CG 3.06Å; Y655-Q659 PolarHBondContact O-N 3.39Å
656	L	39.3	Very low	41.7	Very low	80 Å²	80	131.4 Å²	131.4	42%	0.419	62%	0.624	S	S	.	*	H	α-helix	trans	-72.4	-37.4	176.1	-77.1	166.3	0	0	0	112.7	M652 R654 E658 Q659 E660	M652-L656 HydrophobicContact CE-CD1 4.47Å; M652-L656 HydrophobicContact CE-CG 4.45Å; M652-L656 HydrophobicContact CG-CD1 4.15Å; M652-L656 HydrophobicContact CG-CG 3.99Å; M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CD1 3.25Å; M652-L656 VanDerWaalsContact O-CG 3.25Å; M652-L656 WeakPolarHBondContact O-CG 3.22Å; M652-L656 PolarHBondContact O-N 3.04Å; M652-L656 VanDerWaalsContact O-N 3.14Å; R654-L656 PolarHBondContact O-N 2.83Å; L656-E658 PolarHBondContact O-N 3.5Å; L656-Q659 CarbonylContact O-C 3.59Å; L656-Q659 PolarHBondContact O-N 3.38Å; L656-E660 WeakPolarHBondContact O-CB 3.41Å; L656-E660 PolarHBondContact O-N 2.78Å
657	Q	39.6	Very low	40.6	Very low	161 Å²	161	132.6 Å²	132.6	75%	0.752	64%	0.638	S	S	*	*	H	α-helix	trans	-73.9	-15.3	178	-162.6	166.3	-3.5	0	0	112.4	R653 R654	R653-Q657 WeakPolarHBondContact O-CB 3.15Å; R653-Q657 PolarHBondContact O-N 3.06Å; R654-Q657 PolarHBondContact O-N 2.92Å
658	E	39	Very low	39.4	Very low	146 Å²	146	131.4 Å²	131.4	68%	0.682	65%	0.646	S	S	*	*	H	α-helix	trans	-93	-11.2	166.7	-69	174.8	140	0	0	113.4	R654 Y655 L656	R654-E658 WeakPolarHBondContact O-CB 3.41Å; R654-E658 WeakPolarHBondContact O-CG 3.44Å; R654-E658 PolarHBondContact O-N 3.45Å; Y655-E658 PolarHBondContact O-N 3.46Å; L656-E658 PolarHBondContact O-N 3.5Å
659	Q	30.7	Very low	38.6	Very low	117 Å²	117	127 Å²	127	55%	0.547	66%	0.659	S	S	.	*	H	α-helix	trans	-112.5	-18.3	178.7	-72.4	-166.7	-97.4	0	0	115.4	Y655 L656 L661 V662	Y655-Q659 VanDerWaalsContact O-CB 3.24Å; Y655-Q659 WeakPolarHBondContact O-CB 3.39Å; Y655-Q659 VanDerWaalsContact O-CG 3.27Å; Y655-Q659 WeakPolarHBondContact O-CG 3.06Å; Y655-Q659 PolarHBondContact O-N 3.39Å; L656-Q659 CarbonylContact O-C 3.59Å; L656-Q659 PolarHBondContact O-N 3.38Å; Q659-L661 PolarHBondContact O-N 2.84Å; Q659-V662 PolarHBondContact O-N 2.86Å; Q659-V662 VanDerWaalsContact O-N 3.08Å
660	E	32.9	Very low	37.7	Very low	163 Å²	163	126 Å²	126	76%	0.762	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	1.6	176.8	-90.2	-175.7	139.9	0	0	113.9	L656	L656-E660 WeakPolarHBondContact O-CB 3.41Å; L656-E660 PolarHBondContact O-N 2.78Å
661	L	37.9	Very low	36.5	Very low	115 Å²	115	126.2 Å²	126.2	60%	0.602	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	0.4	172.9	-138.7	75.5	0	0	0	114.5	Q659 L755	Q659-L661 PolarHBondContact O-N 2.84Å; L661-L755 HydrophobicContact CD2-CD1 3.67Å
662	V	44.8	Very low	36.1	Very low	98 Å²	98	128.4 Å²	128.4	59%	0.594	70%	0.701	S	S	*	*	S	Bend	trans	-143	78.2	-179.5	-166.7	0	0	0	0	112.9	Q659 I679	Q659-V662 PolarHBondContact O-N 2.86Å; Q659-V662 VanDerWaalsContact O-N 3.08Å; V662-I679 HydrophobicContact CG2-CD1 3.86Å
663	E	27.7	Very low	35.8	Very low	183 Å²	183	131 Å²	131	86%	0.855	72%	0.717	S	S	*	*			trans	-154.6	128.5	141.9	-144.4	166	-146.9	0	0	110
664	P	34.8	Very low	35.6	Very low	106 Å²	106	132.2 Å²	132.2	69%	0.688	73%	0.729	S	S	*	*			trans	-79.8	124.3	-172.7	30.1	-34	0	0	0	112.2	T666	P664-T666 PolarHBondContact O-N 2.95Å
665	L	29.1	Very low	35.6	Very low	172 Å²	172	124.1 Å²	124.1	90%	0.901	70%	0.703	S	S	*	*			trans	-72.5	108.3	164	-76.3	171.7	0	0	0	109.4	P667	L665-P667 WeakPolarHBondContact O-CD 3.38Å
666	T	31.1	Very low	36.3	Very low	120 Å²	120	124.9 Å²	124.9	74%	0.736	71%	0.712	S	S	*	*			trans	-87.3	103.8	170.4	54.1	0	0	0	0	111.1	P664	P664-T666 PolarHBondContact O-N 2.95Å
667	P	33.5	Very low	37.6	Very low	111 Å²	111	123 Å²	123	72%	0.721	70%	0.701	S	S	*	*			trans	-69.3	153.9	146.5	33.6	-33.2	0	0	0	108.9	L665	L665-P667 WeakPolarHBondContact O-CD 3.38Å
668	S	31	Very low	39.3	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	68%	0.68	S	S	*	*	S	Bend	trans	60.4	104	174.8	-57.9	0	0	0	0	115.9	A670	S668-A670 PolarHBondContact O-N 2.88Å
669	G	34.2	Very low	41.3	Very low	95 Å²	95	115.9 Å²	115.9	98%	0.979	67%	0.667	S	S	*	*			trans	-73.5	82.9	-175.6	0	0	0	0	0	115.2
670	A	30.3	Very low	43.8	Very low	95 Å²	95	110.6 Å²	110.6	79%	0.785	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-98.5	154.4	163.8	0	0	0	0	0	111.6	S668	S668-A670 PolarHBondContact O-N 2.88Å
671	S	29.6	Very low	46.2	Very low	110 Å²	110	108 Å²	108	77%	0.769	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-77.4	151.6	-176.7	42	0	0	0	0	113.3
672	P	35.9	Very low	48.2	Very low	124 Å²	124	107.3 Å²	107.3	81%	0.805	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-83	128.7	-164.2	31.4	-35.7	0	0	0	114
673	N	37.9	Very low	49.9	Very low	159 Å²	159	107.9 Å²	107.9	85%	0.85	63%	0.626	S	S	*	*			trans	-116.9	142.3	162.4	-79.2	-32.6	0	0	0	109.9	A675	N673-A675 PolarHBondContact O-N 3.02Å
674	Q	43	Very low	52.5	Low	184 Å²	184	100.2 Å²	100.2	86%	0.86	59%	0.59	S	S	*	*			trans	-83	82.4	-161.2	-68.9	176.5	-21	0	0	114.2
675	A	44	Very low	55	Low	22 Å²	22	95.5 Å²	95.5	18%	0.182	56%	0.559	C	S	.	*			trans	-96.4	75	163.6	0	0	0	0	0	110.9	N673 M677 S741	N673-A675 PolarHBondContact O-N 3.02Å; A675-M677 VanDerWaalsContact C-N 3.32Å; A675-M677 PolarHBondContact O-N 3.01Å; A675-S741 VanDerWaalsContact CB-CB 3.5Å
676	Q	56.5	Low	57.7	Low	158 Å²	158	94.2 Å²	94.2	74%	0.738	55%	0.546	S	S	*	.			trans	-73	86.4	171.5	-76.3	-174.8	-20.8	0	0	110.5	R678	Q676-R678 PolarHBondContact O-N 2.96Å
677	M	66.4	Low	60.3	Low	41 Å²	41	92 Å²	92	20%	0.202	53%	0.526	C	S	.	.			trans	-57.3	106.6	165.1	176.9	179.1	173.9	0	0	109	A675 L733 A736 F737 A740 I753	A675-M677 VanDerWaalsContact C-N 3.32Å; A675-M677 PolarHBondContact O-N 3.01Å; M677-L733 HydrophobicContact CE-CD2 3.93Å; M677-A736 HydrophobicContact CE-CB 3.67Å; M677-F737 HydrophobicContact CB-CD2 4.09Å; M677-F737 WeakPolarHBondContact SD-CA 3.41Å; M677-F737 HydrophobicContact SD-CB 3.71Å; M677-F737 HydrophobicContact SD-CD2 3.92Å; M677-F737 HydrophobicContact SD-CG 4.33Å; M677-A740 HydrophobicContact CB-CB 3.89Å; M677-A740 HydrophobicContact CG-CB 4.19Å; M677-I753 HydrophobicContact CE-CB 4.29Å; M677-I753 HydrophobicContact CE-CD1 3.99Å; M677-I753 HydrophobicContact CE-CG2 3.75Å
678	R	75.6	Confident	62.6	Low	79 Å²	79	90.4 Å²	90.4	30%	0.298	51%	0.511	S	S	.	.			trans	-80.1	124.2	-176	-58.7	-171.9	-179.2	-157	3.7	110.2	Q676 L680 G752 I753 Y990	Q676-R678 PolarHBondContact O-N 2.96Å; R678-L680 HydrophobicContact CB-CD2 3.71Å; R678-L680 HydrophobicContact CB-CG 4.46Å; R678-G752 CarbonylContact O-C 3.59Å; R678-G752 WeakPolarHBondContact O-CA 3.4Å; R678-I753 PolarHBondContact O-N 3.09Å; R678-Y990 PolarHBondContact NH1-OH 3Å
679	I	79.8	Confident	64.8	Low	79 Å²	79	87.9 Å²	87.9	41%	0.405	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-84.3	115.1	164.6	-56.5	178.7	0	0	0	106.9	V662 I753 L755	V662-I679 HydrophobicContact CG2-CD1 3.86Å; I679-I753 CarbonylContact C-O 3.56Å; I679-I753 WeakPolarHBondContact CA-O 3.43Å; I679-I753 HydrophobicContact CG1-CG2 4.17Å; I679-L755 HydrophobicContact CD1-CD1 4.44Å; I679-L755 HydrophobicContact CG2-CD1 4.45Å
680	L	84.1	Confident	67.1	Low	6 Å²	6	87.2 Å²	87.2	3%	0.031	46%	0.464	C	S	.	.			trans	-100.1	137.5	-175.6	-54.1	-177.8	0	0	0	109.7	R678 L685 W704 I753 C754 V762	R678-L680 HydrophobicContact CB-CD2 3.71Å; R678-L680 HydrophobicContact CB-CG 4.46Å; L680-L685 HydrophobicContact CB-CD1 3.88Å; L680-L685 HydrophobicContact CB-CG 4.36Å; L680-L685 HydrophobicContact CD1-CD1 4.24Å; L680-L685 HydrophobicContact CD1-CD2 4.14Å; L680-W704 HydrophobicContact CD1-CD2 4.37Å; L680-W704 HydrophobicContact CD1-CZ2 4.48Å; L680-W704 HydrophobicContact CD2-CH2 4.4Å; L680-W704 HydrophobicContact CD2-CZ2 3.5Å; L680-I753 PolarHBondContact N-O 2.97Å; L680-C754 PolarHBondContact O-SG 2.92Å; L680-V762 HydrophobicContact CD1-CB 4.08Å; L680-V762 HydrophobicContact CD1-CG1 4.26Å; L680-V762 HydrophobicContact CD1-CG2 4.02Å
681	K	82.7	Confident	69	Low	108 Å²	108	83.2 Å²	83.2	47%	0.47	43%	0.43	S	S	.	.			trans	-77.5	153.8	175.2	-58.1	169.1	-172.3	-179.9	0	110.9	T683 E684 E707	K681-T683 WeakPolarHBondContact CB-OG1 3.45Å; K681-T683 PolarHBondContact O-N 2.92Å; K681-E684 HydrophobicContact CB-CG 4.21Å; K681-E684 WeakPolarHBondContact CG-OE1 3.38Å; K681-E684 PolarHBondContact N-OE1 3.19Å; K681-E684 WeakPolarHBondContact O-CB 3.33Å; K681-E684 PolarHBondContact O-N 2.93Å; K681-E684 VanDerWaalsContact O-N 3.09Å; K681-E707 VanDerWaalsContact CD-OE1 3.3Å; K681-E707 WeakPolarHBondContact CD-OE1 3.37Å; K681-E707 IonicContact NZ-OE1 2.72Å; K681-E707 IonicContact NZ-OE2 3.05Å; K681-E707 PolarHBondContact NZ-OE2 2.92Å
682	E	79.7	Confident	70.7	Confident	100 Å²	100	78.7 Å²	78.7	47%	0.467	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-66.1	-23	172.1	-173.6	154.9	-126.8	0	0	112.2	E684 L685 K687 T756 Q760	E682-E684 VanDerWaalsContact C-N 3.28Å; E682-E684 PolarHBondContact O-N 2.88Å; E682-L685 PolarHBondContact O-N 2.86Å; E682-K687 IonicContact OE1-NZ 3.2Å; E682-K687 PolarHBondContact OE1-NZ 2.81Å; E682-T756 HydrophobicContact CB-CG2 3.94Å; E682-T756 HydrophobicContact CG-CG2 4.46Å; E682-Q760 PolarHBondContact OE1-NE2 2.92Å
683	T	81.6	Confident	72.1	Confident	110 Å²	110	75.5 Å²	75.5	68%	0.675	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-63.7	-28.6	170.6	42.3	0	0	0	0	113.6	K681 E707	K681-T683 WeakPolarHBondContact CB-OG1 3.45Å; K681-T683 PolarHBondContact O-N 2.92Å; T683-E707 WeakPolarHBondContact CB-OE1 3.41Å; T683-E707 PolarHBondContact OG1-OE1 2.85Å
684	E	82.3	Confident	73.1	Confident	22 Å²	22	69.3 Å²	69.3	10%	0.103	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-84.2	-13.6	178.2	-63.4	169.7	-129.4	0	0	113	K681 E682 W704 A705 E707	K681-E684 HydrophobicContact CB-CG 4.21Å; K681-E684 WeakPolarHBondContact CG-OE1 3.38Å; K681-E684 PolarHBondContact N-OE1 3.19Å; K681-E684 WeakPolarHBondContact O-CB 3.33Å; K681-E684 PolarHBondContact O-N 2.93Å; K681-E684 VanDerWaalsContact O-N 3.09Å; E682-E684 VanDerWaalsContact C-N 3.28Å; E682-E684 PolarHBondContact O-N 2.88Å; E684-W704 WeakPolarHBondContact O-CA 3.06Å; E684-W704 PolarHBondContact OE2-NE1 3.31Å; E684-A705 WeakPolarHBondContact CA-O 3.42Å; E684-A705 WeakPolarHBondContact CB-O 3.5Å; E684-A705 PolarHBondContact O-N 2.78Å; E684-E707 HydrophobicContact CG-CB 4.46Å; E684-E707 HydrophobicContact CG-CG 3.93Å
685	L	86.1	Confident	73.7	Confident	7 Å²	7	63 Å²	63	4%	0.037	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	92.8	-165.4	-72.1	174.9	0	0	0	113.2	L680 E682 K687 W704 I717 C754 V762	L680-L685 HydrophobicContact CB-CD1 3.88Å; L680-L685 HydrophobicContact CB-CG 4.36Å; L680-L685 HydrophobicContact CD1-CD1 4.24Å; L680-L685 HydrophobicContact CD1-CD2 4.14Å; E682-L685 PolarHBondContact O-N 2.86Å; L685-K687 PolarHBondContact O-N 3.46Å; L685-W704 HydrophobicContact CD2-CB 3.9Å; L685-W704 HydrophobicContact CD2-CG 4.07Å; L685-I717 HydrophobicContact CB-CD1 4.31Å; L685-I717 HydrophobicContact CD2-CD1 4.2Å; L685-C754 HydrophobicContact CD1-CB 3.61Å; L685-V762 HydrophobicContact CD1-CG2 3.83Å; L685-V762 HydrophobicContact CD2-CG1 4.19Å; L685-V762 HydrophobicContact CD2-CG2 4.11Å
686	K	87.1	Confident	74.3	Confident	145 Å²	145	64.7 Å²	64.7	63%	0.63	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	96.1	175.2	-170.3	178.6	-179.5	-178.7	0	111	L688 G702 V703	K686-L688 HydrophobicContact CD-CD2 4.08Å; K686-L688 HydrophobicContact CG-CD2 4.01Å; K686-G702 CarbonylContact O-C 3.45Å; K686-G702 WeakPolarHBondContact O-CA 3.34Å; K686-V703 PolarHBondContact N-O 2.84Å; K686-V703 PolarHBondContact O-N 3.08Å
687	K	86.1	Confident	74.8	Confident	74 Å²	74	57.4 Å²	57.4	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132.6	165.5	-74.2	166.4	-77.5	-157	0	110.1	E682 L685 I717	E682-K687 IonicContact OE1-NZ 3.2Å; E682-K687 PolarHBondContact OE1-NZ 2.81Å; L685-K687 PolarHBondContact O-N 3.46Å; K687-I717 HydrophobicContact CD-CG2 4.47Å; K687-I717 HydrophobicContact CG-CD1 3.77Å; K687-I717 HydrophobicContact CG-CG2 4.33Å
688	L	81.3	Confident	75.3	Confident	78 Å²	78	57.1 Å²	57.1	41%	0.408	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-103.1	179	-58.5	177.4	0	0	0	110.6	K686 K701 V703	K686-L688 HydrophobicContact CD-CD2 4.08Å; K686-L688 HydrophobicContact CG-CD2 4.01Å; L688-K701 WeakPolarHBondContact CA-O 3.43Å; L688-K701 WeakPolarHBondContact CB-O 3.47Å; L688-K701 HydrophobicContact CD1-CD 4.48Å; L688-K701 HydrophobicContact CD1-CG 4.35Å; L688-K701 PolarHBondContact N-O 3.17Å; L688-V703 HydrophobicContact CD1-CG2 4.13Å
689	R	77.6	Confident	75.7	Confident	49 Å²	49	54.7 Å²	54.7	19%	0.185	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.6	-179.6	62.5	-178.2	174.4	91	-8.4	112.4	Y700 K701 M973 E977	R689-Y700 WeakPolarHBondContact O-CA 3.5Å; R689-K701 HydrophobicContact CG-CB 4.26Å; R689-K701 HydrophobicContact CG-CD 4.43Å; R689-K701 PolarHBondContact O-N 2.94Å; R689-M973 VanDerWaalsContact CZ-SD 3.58Å; R689-M973 PolarHBondContact NH2-O 3.34Å; R689-M973 PolarHBondContact NH2-SD 2.97Å; R689-E977 IonicContact NE-OE2 2.73Å; R689-E977 PolarHBondContact NE-OE2 2.9Å
690	P	80.8	Confident	75.9	Confident	81 Å²	81	54.2 Å²	54.2	53%	0.526	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	138.5	171.8	27.3	-34	0	0	0	110.6	T698 Y700	P690-T698 HydrophobicContact CB-CG2 4.44Å; P690-Y700 HydrophobicContact CB-CD1 4.06Å; P690-Y700 HydrophobicContact CB-CE1 4.05Å
691	L	71.3	Confident	75.9	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-33.6	177.2	-69.4	169.8	0	0	0	112	V699 K701 L765 F970 Y1098	L691-V699 HydrophobicContact CD1-CG1 4.38Å; L691-V699 PolarHBondContact N-O 3.33Å; L691-K701 HydrophobicContact CD1-CB 4.03Å; L691-K701 HydrophobicContact CD2-CB 4.12Å; L691-K701 HydrophobicContact CG-CB 4.02Å; L691-L765 HydrophobicContact CD1-CD1 3.74Å; L691-F970 HydrophobicContact CD2-CE2 3.95Å; L691-F970 HydrophobicContact CD2-CZ 3.84Å; L691-Y1098 HydrophobicContact CB-CD2 4.23Å; L691-Y1098 HydrophobicContact CB-CG 4.38Å; L691-Y1098 HydrophobicContact CD1-CD2 3.94Å; L691-Y1098 HydrophobicContact CD1-CE2 3.82Å; L691-Y1098 HydrophobicContact CD1-CG 4.46Å; L691-Y1098 HydrophobicContact CD2-CD2 4.25Å; L691-Y1098 HydrophobicContact CD2-CE2 4.49Å; L691-Y1098 HydrophobicContact CG-CD2 4.38Å
692	G	64.8	Low	76.2	Confident	15 Å²	15	49.8 Å²	49.8	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	161.1	-179.5	0	0	0	0	0	111.8	V699	G692-V699 PolarHBondContact N-O 3.12Å; G692-V699 PolarHBondContact O-N 2.82Å
693	A	66.1	Low	76.6	Confident	56 Å²	56	46.3 Å²	46.3	46%	0.463	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.4	175.2	0	0	0	0	0	109.5	T698	A693-T698 HydrophobicContact CB-CG2 4.18Å
694	G	59.1	Low	76.9	Confident	30 Å²	30	41.1 Å²	41.1	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	-170	-175.2	0	0	0	0	0	111.9	F696 G697 R721	G694-F696 VanDerWaalsContact C-N 3.28Å; G694-F696 PolarHBondContact O-N 3.15Å; G694-G697 PolarHBondContact N-O 2.86Å; G694-G697 PolarHBondContact O-N 3.07Å; G694-G697 VanDerWaalsContact O-O 3.11Å; G694-R721 PolarHBondContact O-NE 2.95Å; G694-R721 PolarHBondContact O-NH2 2.84Å
695	A	54.2	Low	77.1	Confident	50 Å²	50	42 Å²	42	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-43.4	-175.7	0	0	0	0	0	113.1	R721	A695-R721 PolarHBondContact O-NE 3.29Å
696	F	56.4	Low	76.8	Confident	59 Å²	59	42.2 Å²	42.2	26%	0.259	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.1	-173	-54.4	-71	0	0	0	115.3	G694 L720 L831 Y1252	G694-F696 VanDerWaalsContact C-N 3.28Å; G694-F696 PolarHBondContact O-N 3.15Å; F696-L720 WeakPolarHBondContact O-CD2 3.4Å; F696-L831 HydrophobicContact CE1-CD1 4.36Å; F696-L831 HydrophobicContact CE1-CD2 3.96Å; F696-L831 HydrophobicContact CE1-CG 4.06Å; F696-L831 HydrophobicContact CZ-CD1 3.92Å; F696-L831 HydrophobicContact CZ-CD2 4.36Å; F696-L831 HydrophobicContact CZ-CG 4.03Å; F696-Y1252 HydrophobicContact CE2-CE1 4.49Å; F696-Y1252 HydrophobicContact CZ-CE1 4.38Å
697	G	68.6	Low	76.1	Confident	4 Å²	4	40.5 Å²	40.5	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-168.2	-173.1	0	0	0	0	0	115.7	G694 V719	G694-G697 PolarHBondContact N-O 2.86Å; G694-G697 PolarHBondContact O-N 3.07Å; G694-G697 VanDerWaalsContact O-O 3.11Å; G697-V719 CarbonylContact C-O 3.58Å; G697-V719 WeakPolarHBondContact CA-O 3.41Å
698	T	76.6	Confident	75.1	Confident	35 Å²	35	40.9 Å²	40.9	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130	170	-56.6	0	0	0	0	109.4	P690 A693 Y700 V719	P690-T698 HydrophobicContact CB-CG2 4.44Å; A693-T698 HydrophobicContact CB-CG2 4.18Å; T698-Y700 HydrophobicContact CG2-CD2 4.22Å; T698-Y700 HydrophobicContact CG2-CE1 4.34Å; T698-Y700 HydrophobicContact CG2-CE2 3.56Å; T698-V719 PolarHBondContact N-O 3.08Å; T698-V719 PolarHBondContact O-N 2.97Å
699	V	82.5	Confident	74.8	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.7	179.6	-171.7	0	0	0	0	109.4	L691 G692 A716 I717 K718	L691-V699 HydrophobicContact CD1-CG1 4.38Å; L691-V699 PolarHBondContact N-O 3.33Å; G692-V699 PolarHBondContact N-O 3.12Å; G692-V699 PolarHBondContact O-N 2.82Å; V699-A716 HydrophobicContact CG1-CB 4.11Å; V699-I717 CarbonylContact C-O 3.59Å; V699-I717 WeakPolarHBondContact CA-O 3.08Å; V699-K718 HydrophobicContact CG2-CB 4.05Å; V699-K718 HydrophobicContact CG2-CD 4.37Å; V699-K718 HydrophobicContact CG2-CG 4.05Å
700	Y	85.6	Confident	74.4	Confident	69 Å²	69	49 Å²	49	27%	0.271	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144	178.4	-61.9	-97.1	0	0	0	111.3	R689 P690 T698 A716 I717 V719	R689-Y700 WeakPolarHBondContact O-CA 3.5Å; P690-Y700 HydrophobicContact CB-CD1 4.06Å; P690-Y700 HydrophobicContact CB-CE1 4.05Å; T698-Y700 HydrophobicContact CG2-CD2 4.22Å; T698-Y700 HydrophobicContact CG2-CE1 4.34Å; T698-Y700 HydrophobicContact CG2-CE2 3.56Å; Y700-A716 WeakPolarHBondContact O-CA 3.44Å; Y700-I717 PolarHBondContact N-O 3.09Å; Y700-I717 PolarHBondContact O-N 3.28Å; Y700-V719 HydrophobicContact CD2-CG2 3.99Å; Y700-V719 HydrophobicContact CE2-CB 4.38Å; Y700-V719 HydrophobicContact CE2-CG2 3.83Å
701	K	84.2	Confident	74	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134	157.7	-177.8	-178	176.3	-174.7	0	105.9	L688 R689 L691 L765 E977	L688-K701 WeakPolarHBondContact CA-O 3.43Å; L688-K701 WeakPolarHBondContact CB-O 3.47Å; L688-K701 HydrophobicContact CD1-CD 4.48Å; L688-K701 HydrophobicContact CD1-CG 4.35Å; L688-K701 PolarHBondContact N-O 3.17Å; R689-K701 HydrophobicContact CG-CB 4.26Å; R689-K701 HydrophobicContact CG-CD 4.43Å; R689-K701 PolarHBondContact O-N 2.94Å; L691-K701 HydrophobicContact CD1-CB 4.03Å; L691-K701 HydrophobicContact CD2-CB 4.12Å; L691-K701 HydrophobicContact CG-CB 4.02Å; K701-L765 HydrophobicContact CG-CD1 4.36Å; K701-L765 HydrophobicContact CG-CD2 4.07Å; K701-E977 IonicContact NZ-OE2 2.6Å; K701-E977 PolarHBondContact NZ-OE2 2.96Å
702	G	88.4	Confident	74.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.5	176.8	0	0	0	0	0	112.3	K686 V715	K686-G702 CarbonylContact O-C 3.45Å; K686-G702 WeakPolarHBondContact O-CA 3.34Å; G702-V715 PolarHBondContact N-O 2.93Å; G702-V715 PolarHBondContact O-N 3.26Å
703	V	88.2	Confident	75.2	Confident	27 Å²	27	48.6 Å²	48.6	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.9	168.8	177.7	0	0	0	0	107.8	K686 L688 T712 I713	K686-V703 PolarHBondContact N-O 2.84Å; K686-V703 PolarHBondContact O-N 3.08Å; L688-V703 HydrophobicContact CD1-CG2 4.13Å; V703-T712 HydrophobicContact CG1-CG2 4.12Å; V703-I713 WeakPolarHBondContact CA-O 3.34Å
704	W	88.4	Confident	76.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.4	166.5	178	34.6	0	0	0	108.6	L680 E684 L685 P706 I713 V715 L751 Y990	L680-W704 HydrophobicContact CD1-CD2 4.37Å; L680-W704 HydrophobicContact CD1-CZ2 4.48Å; L680-W704 HydrophobicContact CD2-CH2 4.4Å; L680-W704 HydrophobicContact CD2-CZ2 3.5Å; E684-W704 WeakPolarHBondContact O-CA 3.06Å; E684-W704 PolarHBondContact OE2-NE1 3.31Å; L685-W704 HydrophobicContact CD2-CB 3.9Å; L685-W704 HydrophobicContact CD2-CG 4.07Å; W704-P706 HydrophobicContact CD2-CG 4.5Å; W704-P706 HydrophobicContact CZ2-CG 4.22Å; W704-I713 HydrophobicContact CB-CB 4.46Å; W704-I713 HydrophobicContact CD2-CD1 4.38Å; W704-I713 HydrophobicContact CE3-CB 4.4Å; W704-I713 HydrophobicContact CE3-CD1 3.66Å; W704-I713 HydrophobicContact CE3-CG2 4.46Å; W704-I713 HydrophobicContact CZ3-CD1 3.89Å; W704-I713 PolarHBondContact N-O 3.43Å; W704-I713 PolarHBondContact O-N 2.94Å; W704-V715 HydrophobicContact CB-CG1 3.82Å; W704-V715 HydrophobicContact CB-CG2 4.13Å; W704-L751 HydrophobicContact CZ3-CB 4.44Å; W704-Y990 HydrophobicContact CH2-CD1 4.42Å; W704-Y990 AromaticContact CH2-CE1 3.75Å; W704-Y990 HydrophobicContact CH2-CE1 3.75Å; W704-Y990 HydrophobicContact CZ3-CD1 4.16Å; W704-Y990 AromaticContact CZ3-CE1 3.91Å; W704-Y990 HydrophobicContact CZ3-CE1 3.91Å
705	A	86.2	Confident	77.6	Confident	39 Å²	39	46.4 Å²	46.4	32%	0.322	27%	0.267	S	S	.	.			trans	-128.6	101.3	177	0	0	0	0	0	108.1	E684 T712	E684-A705 WeakPolarHBondContact CA-O 3.42Å; E684-A705 WeakPolarHBondContact CB-O 3.5Å; E684-A705 PolarHBondContact O-N 2.78Å; A705-T712 HydrophobicContact CB-CG2 4.22Å
706	P	79.6	Confident	79.3	Confident	13 Å²	13	44.1 Å²	44.1	8%	0.084	25%	0.248	C	C	.	.			trans	-61	134.8	-177.9	-22.2	32.9	0	0	0	112.2	W704 G708 E709 Y990	W704-P706 HydrophobicContact CD2-CG 4.5Å; W704-P706 HydrophobicContact CZ2-CG 4.22Å; P706-G708 PolarHBondContact O-N 3.28Å; P706-E709 HydrophobicContact CB-CB 4.26Å; P706-E709 HydrophobicContact CB-CG 4.38Å; P706-E709 PolarHBondContact O-N 3.16Å; P706-E709 VanDerWaalsContact O-N 3.1Å; P706-Y990 HydrophobicContact CG-CE1 4.45Å; P706-Y990 WeakPolarHBondContact CG-OH 3.24Å
707	E	71.5	Confident	80.8	Confident	108 Å²	108	41.3 Å²	41.3	51%	0.505	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	111.4	-178.3	-87.3	-178.4	-163.4	0	0	111.9	K681 T683 E684	K681-E707 VanDerWaalsContact CD-OE1 3.3Å; K681-E707 WeakPolarHBondContact CD-OE1 3.37Å; K681-E707 IonicContact NZ-OE1 2.72Å; K681-E707 IonicContact NZ-OE2 3.05Å; K681-E707 PolarHBondContact NZ-OE2 2.92Å; T683-E707 WeakPolarHBondContact CB-OE1 3.41Å; T683-E707 PolarHBondContact OG1-OE1 2.85Å; E684-E707 HydrophobicContact CG-CB 4.46Å; E684-E707 HydrophobicContact CG-CG 3.93Å
708	G	66.6	Low	81.6	Confident	83 Å²	83	42.1 Å²	42.1	86%	0.856	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.2	-4.3	-179.7	0	0	0	0	0	114.8	P706	P706-G708 PolarHBondContact O-N 3.28Å
709	E	74.4	Confident	82	Confident	92 Å²	92	41.8 Å²	41.8	43%	0.43	24%	0.236	S	C	.	.			trans	-111.5	139	178.5	-62.2	-179.4	168.1	0	0	111.2	P706 I711 Y990	P706-E709 HydrophobicContact CB-CB 4.26Å; P706-E709 HydrophobicContact CB-CG 4.38Å; P706-E709 PolarHBondContact O-N 3.16Å; P706-E709 VanDerWaalsContact O-N 3.1Å; E709-I711 PolarHBondContact O-N 3.36Å; E709-I711 VanDerWaalsContact O-N 3.11Å; E709-Y990 WeakPolarHBondContact OE2-CE2 3.39Å; E709-Y990 VanDerWaalsContact OE2-CZ 3.28Å; E709-Y990 PolarHBondContact OE2-OH 2.96Å
710	H	68.8	Low	81.5	Confident	206 Å²	206	42 Å²	42	95%	0.954	24%	0.236	S	C	*	.	S	Bend	trans	-83.8	35	175.2	-74.7	-80.7	0	0	0	112.3
711	I	72.9	Confident	80.4	Confident	52 Å²	52	45.9 Å²	45.9	27%	0.267	25%	0.25	S	C	.	.			trans	-116	138.8	-174.9	-60	174.2	0	0	0	108.6	E709 I713 M985 Y990	E709-I711 PolarHBondContact O-N 3.36Å; E709-I711 VanDerWaalsContact O-N 3.11Å; I711-I713 HydrophobicContact CG2-CG1 4.14Å; I711-M985 HydrophobicContact CD1-SD 4.23Å; I711-M985 HydrophobicContact CG2-CB 3.79Å; I711-M985 HydrophobicContact CG2-SD 4Å; I711-Y990 HydrophobicContact CD1-CD2 4.27Å; I711-Y990 HydrophobicContact CD1-CE2 4.19Å; I711-Y990 HydrophobicContact CG2-CD2 4.27Å
712	T	78.6	Confident	79.1	Confident	47 Å²	47	51.5 Å²	51.5	29%	0.288	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-126.4	136	174.5	57.8	0	0	0	0	110.7	V703 A705 M985	V703-T712 HydrophobicContact CG1-CG2 4.12Å; A705-T712 HydrophobicContact CB-CG2 4.22Å; T712-M985 PolarHBondContact O-N 3Å; T712-M985 VanDerWaalsContact O-N 3.09Å
713	I	82.3	Confident	77	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.7	-168.7	-58	168	0	0	0	108.9	V703 W704 I711 V715 A987 Y990	V703-I713 WeakPolarHBondContact CA-O 3.34Å; W704-I713 HydrophobicContact CB-CB 4.46Å; W704-I713 HydrophobicContact CD2-CD1 4.38Å; W704-I713 HydrophobicContact CE3-CB 4.4Å; W704-I713 HydrophobicContact CE3-CD1 3.66Å; W704-I713 HydrophobicContact CE3-CG2 4.46Å; W704-I713 HydrophobicContact CZ3-CD1 3.89Å; W704-I713 PolarHBondContact N-O 3.43Å; W704-I713 PolarHBondContact O-N 2.94Å; I711-I713 HydrophobicContact CG2-CG1 4.14Å; I713-V715 HydrophobicContact CG2-CG1 4.13Å; I713-V715 PolarHBondContact O-N 2.98Å; I713-A987 HydrophobicContact CG2-CB 3.65Å; I713-Y990 HydrophobicContact CD1-CD1 3.35Å; I713-Y990 HydrophobicContact CD1-CD2 4.02Å; I713-Y990 HydrophobicContact CD1-CE1 3.73Å; I713-Y990 HydrophobicContact CD1-CE2 4.35Å; I713-Y990 HydrophobicContact CD1-CG 3.5Å
714	P	86.1	Confident	74.7	Confident	39 Å²	39	61.3 Å²	61.3	25%	0.253	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.2	178.1	30	-33.2	0	0	0	111.1	L765 M985	P714-L765 HydrophobicContact CB-CB 4.13Å; P714-L765 HydrophobicContact CB-CD2 4.04Å; P714-L765 WeakPolarHBondContact O-CB 3.45Å; P714-L765 PolarHBondContact O-N 2.81Å; P714-M985 WeakPolarHBondContact CD-O 3.49Å
715	V	89.8	Confident	72.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.8	-173	-64.3	0	0	0	0	113.1	G702 W704 I713 I717 L751 V762 T763	G702-V715 PolarHBondContact N-O 2.93Å; G702-V715 PolarHBondContact O-N 3.26Å; W704-V715 HydrophobicContact CB-CG1 3.82Å; W704-V715 HydrophobicContact CB-CG2 4.13Å; I713-V715 HydrophobicContact CG2-CG1 4.13Å; I713-V715 PolarHBondContact O-N 2.98Å; V715-I717 HydrophobicContact CG2-CD1 4.1Å; V715-I717 HydrophobicContact CG2-CG1 3.89Å; V715-L751 HydrophobicContact CG1-CD1 3.67Å; V715-V762 HydrophobicContact CB-CG1 3.73Å; V715-V762 HydrophobicContact CG1-CG1 3.89Å; V715-V762 HydrophobicContact CG2-CG1 4Å; V715-T763 CarbonylContact C-O 3.55Å; V715-T763 WeakPolarHBondContact CA-O 3.45Å; V715-T763 WeakPolarHBondContact CB-O 3.31Å
716	A	89.6	Confident	70.1	Confident	2 Å²	2	68.7 Å²	68.7	2%	0.017	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.7	163.8	0	0	0	0	0	109.1	V699 Y700 V762 T763 L765 Y1098	V699-A716 HydrophobicContact CG1-CB 4.11Å; Y700-A716 WeakPolarHBondContact O-CA 3.44Å; A716-V762 WeakPolarHBondContact O-CA 3.49Å; A716-T763 PolarHBondContact N-O 3.25Å; A716-T763 PolarHBondContact O-N 3.46Å; A716-L765 HydrophobicContact CB-CD1 4.24Å; A716-Y1098 HydrophobicContact CB-CE1 4.44Å
717	I	88.4	Confident	68.1	Low	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	104.5	-176.8	-56.3	173.1	0	0	0	108.3	L685 K687 V699 Y700 V715 V719 Q760 V762	L685-I717 HydrophobicContact CB-CD1 4.31Å; L685-I717 HydrophobicContact CD2-CD1 4.2Å; K687-I717 HydrophobicContact CD-CG2 4.47Å; K687-I717 HydrophobicContact CG-CD1 3.77Å; K687-I717 HydrophobicContact CG-CG2 4.33Å; V699-I717 CarbonylContact C-O 3.59Å; V699-I717 WeakPolarHBondContact CA-O 3.08Å; Y700-I717 PolarHBondContact N-O 3.09Å; Y700-I717 PolarHBondContact O-N 3.28Å; V715-I717 HydrophobicContact CG2-CD1 4.1Å; V715-I717 HydrophobicContact CG2-CG1 3.89Å; I717-V719 HydrophobicContact CG2-CG2 4.36Å; I717-Q760 HydrophobicContact CG2-CB 3.96Å; I717-V762 HydrophobicContact CG1-CG1 4.44Å; I717-V762 HydrophobicContact CG1-CG2 4.37Å
718	K	85.4	Confident	67	Low	22 Å²	22	71.5 Å²	71.5	10%	0.096	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	103.5	176.9	179.1	172	173	173.3	0	109.8	V699 L720 Q760 L761 D828	V699-K718 HydrophobicContact CG2-CB 4.05Å; V699-K718 HydrophobicContact CG2-CD 4.37Å; V699-K718 HydrophobicContact CG2-CG 4.05Å; K718-L720 HydrophobicContact CD-CD2 4.41Å; K718-L720 HydrophobicContact CG-CD2 4.21Å; K718-Q760 CarbonylContact O-C 3.59Å; K718-Q760 WeakPolarHBondContact O-CA 3.16Å; K718-L761 HydrophobicContact CB-CB 4.42Å; K718-L761 PolarHBondContact N-O 2.73Å; K718-L761 PolarHBondContact O-N 3.48Å; K718-D828 IonicContact NZ-OD1 2.78Å; K718-D828 PolarHBondContact NZ-OD1 2.89Å; K718-D828 IonicContact NZ-OD2 2.72Å; K718-D828 PolarHBondContact NZ-OD2 3.02Å
719	V	84.1	Confident	66.5	Low	28 Å²	28	71.3 Å²	71.3	17%	0.17	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.3	173.9	-174.5	0	0	0	0	108.9	G697 T698 Y700 I717 A758 Q760	G697-V719 CarbonylContact C-O 3.58Å; G697-V719 WeakPolarHBondContact CA-O 3.41Å; T698-V719 PolarHBondContact N-O 3.08Å; T698-V719 PolarHBondContact O-N 2.97Å; Y700-V719 HydrophobicContact CD2-CG2 3.99Å; Y700-V719 HydrophobicContact CE2-CB 4.38Å; Y700-V719 HydrophobicContact CE2-CG2 3.83Å; I717-V719 HydrophobicContact CG2-CG2 4.36Å; V719-A758 HydrophobicContact CG1-CB 3.78Å; V719-Q760 HydrophobicContact CG1-CG 4.49Å; V719-Q760 HydrophobicContact CG2-CB 4.32Å; V719-Q760 HydrophobicContact CG2-CG 4.11Å
720	L	71.9	Confident	65.8	Low	34 Å²	34	73.2 Å²	73.2	18%	0.178	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	157.3	178.8	-56.8	-176.7	0	0	0	111.2	F696 K718 I732 V759 L761	F696-L720 WeakPolarHBondContact O-CD2 3.4Å; K718-L720 HydrophobicContact CD-CD2 4.41Å; K718-L720 HydrophobicContact CG-CD2 4.21Å; L720-I732 HydrophobicContact CD1-CG2 4.17Å; L720-V759 HydrophobicContact CD1-CB 4.15Å; L720-V759 HydrophobicContact CD1-CG1 3.99Å; L720-V759 PolarHBondContact N-O 3.41Å; L720-L761 HydrophobicContact CD1-CD1 4.36Å; L720-L761 HydrophobicContact CD2-CD1 4.31Å
721	R	64.1	Low	65.3	Low	150 Å²	150	67.6 Å²	67.6	57%	0.566	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-87.7	131.7	178.6	-58.2	-174.3	-175.8	-149.3	0.7	110.8	G694 A695 N723	G694-R721 PolarHBondContact O-NE 2.95Å; G694-R721 PolarHBondContact O-NH2 2.84Å; A695-R721 PolarHBondContact O-NE 3.29Å; R721-N723 PolarHBondContact O-N 2.82Å; R721-N723 VanDerWaalsContact O-N 3.07Å
722	E	55.9	Low	64.9	Low	137 Å²	137	66.9 Å²	66.9	64%	0.64	35%	0.349	S	S	*	.	S	Bend	trans	-63.6	105.1	175.9	-66.9	173.7	-171.7	0	0	111	A758	E722-A758 HydrophobicContact CG-CB 4.42Å
723	N	44.4	Very low	64.3	Low	161 Å²	161	67.4 Å²	67.4	86%	0.861	35%	0.35	S	S	*	.			trans	-157.6	7.2	176.1	-109.8	-15.2	0	0	0	114	R721	R721-N723 PolarHBondContact O-N 2.82Å; R721-N723 VanDerWaalsContact O-N 3.07Å
724	T	40.7	Very low	63.4	Low	73 Å²	73	71.3 Å²	71.3	45%	0.448	37%	0.371	S	S	.	.			trans	-100.2	136.6	-175.3	43.5	0	0	0	0	113	N729 I732	T724-N729 PolarHBondContact OG1-OD1 3.1Å; T724-I732 HydrophobicContact CG2-CD1 3.92Å
725	S	38.3	Very low	62.4	Low	74 Å²	74	72.4 Å²	72.4	52%	0.517	37%	0.373	S	S	.	.			trans	-69.6	164.8	167.2	77.3	0	0	0	0	111	K727 G728	S725-K727 PolarHBondContact O-N 2.85Å; S725-G728 PolarHBondContact O-N 3Å
726	P	39.6	Very low	61.5	Low	122 Å²	122	72.5 Å²	72.5	79%	0.792	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.1	179.8	-28.6	36.6	0	0	0	116.4
727	K	36	Very low	60.6	Low	168 Å²	168	77.4 Å²	77.4	73%	0.73	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-50.7	168.6	-79.4	-170.3	171.3	-171	0	112.1	S725 N729 K730	S725-K727 PolarHBondContact O-N 2.85Å; K727-N729 PolarHBondContact O-N 2.84Å; K727-N729 VanDerWaalsContact O-N 3.09Å; K727-K730 PolarHBondContact O-N 3.41Å
728	G	50.1	Low	59.7	Low	12 Å²	12	78.7 Å²	78.7	12%	0.124	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-21.8	-174.9	0	0	0	0	0	114.1	S725 K730 D731 I732	S725-G728 PolarHBondContact O-N 3Å; G728-K730 VanDerWaalsContact C-N 3.27Å; G728-K730 PolarHBondContact O-N 3.06Å; G728-D731 WeakPolarHBondContact CA-OD2 3.47Å; G728-D731 PolarHBondContact O-N 2.73Å; G728-I732 WeakPolarHBondContact O-CB 3.42Å; G728-I732 VanDerWaalsContact O-CG1 3.29Å; G728-I732 WeakPolarHBondContact O-CG1 3.28Å; G728-I732 PolarHBondContact O-N 3.48Å
729	N	55.1	Low	59	Low	78 Å²	78	78.8 Å²	78.8	42%	0.417	40%	0.403	S	S	.	.	H	α-helix	trans	-69.2	-24.1	173.9	-69.7	11.4	0	0	0	112.9	T724 K727 L733	T724-N729 PolarHBondContact OG1-OD1 3.1Å; K727-N729 PolarHBondContact O-N 2.84Å; K727-N729 VanDerWaalsContact O-N 3.09Å; N729-L733 WeakPolarHBondContact O-CD1 2.97Å; N729-L733 VanDerWaalsContact O-CG 3.27Å; N729-L733 WeakPolarHBondContact O-CG 3.19Å
730	K	58.9	Low	58.5	Low	132 Å²	132	77.5 Å²	77.5	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-75.1	-49.2	168.6	175.1	168.1	173.8	172	0	110.3	K727 G728 I732 L733 D734	K727-K730 PolarHBondContact O-N 3.41Å; G728-K730 VanDerWaalsContact C-N 3.27Å; G728-K730 PolarHBondContact O-N 3.06Å; K730-I732 VanDerWaalsContact C-N 3.27Å; K730-I732 PolarHBondContact O-N 3.45Å; K730-L733 WeakPolarHBondContact O-CA 3.46Å; K730-L733 WeakPolarHBondContact O-CB 3.41Å; K730-L733 PolarHBondContact O-N 2.94Å; K730-D734 WeakPolarHBondContact CE-OD2 3.42Å; K730-D734 IonicContact NZ-OD2 3.64Å; K730-D734 PolarHBondContact O-N 3.13Å
731	D	59.3	Low	58.5	Low	88 Å²	88	77.8 Å²	77.8	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-42.9	-177	-49.1	-38.7	0	0	0	111	G728 L733 D734 E735	G728-D731 WeakPolarHBondContact CA-OD2 3.47Å; G728-D731 PolarHBondContact O-N 2.73Å; D731-L733 VanDerWaalsContact C-N 3.33Å; D731-L733 PolarHBondContact O-N 3.16Å; D731-D734 PolarHBondContact O-N 2.85Å; D731-E735 WeakPolarHBondContact O-CB 3.25Å; D731-E735 WeakPolarHBondContact O-CG 3.25Å; D731-E735 PolarHBondContact O-N 2.54Å
732	I	64.3	Low	59.1	Low	37 Å²	37	70.9 Å²	70.9	19%	0.19	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-34.5	173.7	-71.4	167	0	0	0	113	L720 T724 G728 K730 A736 V759	L720-I732 HydrophobicContact CD1-CG2 4.17Å; T724-I732 HydrophobicContact CG2-CD1 3.92Å; G728-I732 WeakPolarHBondContact O-CB 3.42Å; G728-I732 VanDerWaalsContact O-CG1 3.29Å; G728-I732 WeakPolarHBondContact O-CG1 3.28Å; G728-I732 PolarHBondContact O-N 3.48Å; K730-I732 VanDerWaalsContact C-N 3.27Å; K730-I732 PolarHBondContact O-N 3.45Å; I732-A736 WeakPolarHBondContact O-CB 3.23Å; I732-A736 PolarHBondContact O-N 2.8Å; I732-V759 HydrophobicContact CG2-CG1 4.3Å
733	L	66.4	Low	60	Low	58 Å²	58	68.8 Å²	68.8	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-75.2	-40	178	-75.7	170.3	0	0	0	111.7	M677 N729 K730 D731 A736 F737 I753 L755	M677-L733 HydrophobicContact CE-CD2 3.93Å; N729-L733 WeakPolarHBondContact O-CD1 2.97Å; N729-L733 VanDerWaalsContact O-CG 3.27Å; N729-L733 WeakPolarHBondContact O-CG 3.19Å; K730-L733 WeakPolarHBondContact O-CA 3.46Å; K730-L733 WeakPolarHBondContact O-CB 3.41Å; K730-L733 PolarHBondContact O-N 2.94Å; D731-L733 VanDerWaalsContact C-N 3.33Å; D731-L733 PolarHBondContact O-N 3.16Å; L733-A736 PolarHBondContact O-N 2.8Å; L733-F737 WeakPolarHBondContact O-CB 3.43Å; L733-F737 PolarHBondContact O-N 2.9Å; L733-I753 HydrophobicContact CD2-CD1 3.91Å; L733-L755 HydrophobicContact CD2-CD1 4.28Å; L733-L755 HydrophobicContact CD2-CD2 4.28Å
734	D	62.9	Low	62	Low	83 Å²	83	61.9 Å²	61.9	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-41.5	176.5	-67.7	-17.5	0	0	0	110.5	K730 D731 F737 V738	K730-D734 WeakPolarHBondContact CE-OD2 3.42Å; K730-D734 IonicContact NZ-OD2 3.64Å; K730-D734 PolarHBondContact O-N 3.13Å; D731-D734 PolarHBondContact O-N 2.85Å; D734-F737 PolarHBondContact O-N 2.86Å; D734-V738 WeakPolarHBondContact O-CG2 3.31Å; D734-V738 PolarHBondContact O-N 3.02Å
735	E	65.8	Low	64.2	Low	61 Å²	61	61.8 Å²	61.8	29%	0.285	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-47	170.6	-73.9	-179.4	-177.1	0	0	111.9	D731 F737 V738 M739	D731-E735 WeakPolarHBondContact O-CB 3.25Å; D731-E735 WeakPolarHBondContact O-CG 3.25Å; D731-E735 PolarHBondContact O-N 2.54Å; E735-F737 VanDerWaalsContact C-N 3.29Å; E735-F737 PolarHBondContact O-N 3.47Å; E735-V738 PolarHBondContact O-N 3.11Å; E735-M739 WeakPolarHBondContact O-CG 3.45Å; E735-M739 PolarHBondContact O-N 2.9Å
736	A	70.6	Confident	66.7	Low	2 Å²	2	61 Å²	61	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-31.5	178.7	0	0	0	0	0	113.1	M677 I732 L733 M739 A740 L750 I753 L761	M677-A736 HydrophobicContact CE-CB 3.67Å; I732-A736 WeakPolarHBondContact O-CB 3.23Å; I732-A736 PolarHBondContact O-N 2.8Å; L733-A736 PolarHBondContact O-N 2.8Å; A736-M739 PolarHBondContact O-N 3.24Å; A736-A740 WeakPolarHBondContact O-CB 3.45Å; A736-A740 PolarHBondContact O-N 3.3Å; A736-L750 HydrophobicContact CB-CD2 3.97Å; A736-L750 WeakPolarHBondContact O-CD2 3.45Å; A736-I753 HydrophobicContact CB-CD1 4.09Å; A736-L761 HydrophobicContact CB-CD2 4.05Å
737	F	71.3	Confident	69.1	Low	106 Å²	106	55.4 Å²	55.4	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-64.9	-42.7	173	-177.4	-97.8	0	0	0	111.6	M677 L733 D734 E735 A740 S741	M677-F737 HydrophobicContact CB-CD2 4.09Å; M677-F737 WeakPolarHBondContact SD-CA 3.41Å; M677-F737 HydrophobicContact SD-CB 3.71Å; M677-F737 HydrophobicContact SD-CD2 3.92Å; M677-F737 HydrophobicContact SD-CG 4.33Å; L733-F737 WeakPolarHBondContact O-CB 3.43Å; L733-F737 PolarHBondContact O-N 2.9Å; D734-F737 PolarHBondContact O-N 2.86Å; E735-F737 VanDerWaalsContact C-N 3.29Å; E735-F737 PolarHBondContact O-N 3.47Å; F737-A740 PolarHBondContact O-N 3.29Å; F737-S741 PolarHBondContact O-N 3.03Å
738	V	68.2	Low	71.5	Confident	27 Å²	27	47.6 Å²	47.6	16%	0.164	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-43.3	172.9	174.8	0	0	0	0	110.8	D734 E735 A740 S741 V742 L806 L834	D734-V738 WeakPolarHBondContact O-CG2 3.31Å; D734-V738 PolarHBondContact O-N 3.02Å; E735-V738 PolarHBondContact O-N 3.11Å; V738-A740 PolarHBondContact O-N 2.96Å; V738-S741 PolarHBondContact O-N 2.89Å; V738-S741 VanDerWaalsContact O-N 3.14Å; V738-S741 PolarHBondContact O-OG 3.35Å; V738-V742 PolarHBondContact O-N 2.76Å; V738-L806 HydrophobicContact CG1-CD1 3.47Å; V738-L806 VanDerWaalsContact CG1-CD1 3.47Å; V738-L806 HydrophobicContact CG1-CG 4.39Å; V738-L834 HydrophobicContact CG2-CB 4.5Å; V738-L834 HydrophobicContact CG2-CD2 4.49Å
739	M	71.3	Confident	73	Confident	23 Å²	23	50.2 Å²	50.2	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-22.9	174.7	-65.7	178.9	71.1	0	0	114	E735 A736 L750 F829	E735-M739 WeakPolarHBondContact O-CG 3.45Å; E735-M739 PolarHBondContact O-N 2.9Å; A736-M739 PolarHBondContact O-N 3.24Å; M739-L750 HydrophobicContact CB-CB 4Å; M739-L750 HydrophobicContact CB-CD2 4.39Å; M739-L750 WeakPolarHBondContact O-CB 3.44Å; M739-L750 PolarHBondContact O-N 3.42Å; M739-F829 HydrophobicContact CE-CB 4.35Å
740	A	73.4	Confident	74.4	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-86.6	-19.3	176.3	0	0	0	0	0	113.8	M677 A736 F737 V738 R749 L750	M677-A740 HydrophobicContact CB-CB 3.89Å; M677-A740 HydrophobicContact CG-CB 4.19Å; A736-A740 WeakPolarHBondContact O-CB 3.45Å; A736-A740 PolarHBondContact O-N 3.3Å; F737-A740 PolarHBondContact O-N 3.29Å; V738-A740 PolarHBondContact O-N 2.96Å; A740-R749 VanDerWaalsContact O-CZ 3.31Å; A740-R749 PolarHBondContact O-NE 2.77Å; A740-R749 PolarHBondContact O-NH2 2.89Å; A740-L750 HydrophobicContact CB-CB 4.34Å; A740-L750 HydrophobicContact CB-CD2 4.46Å
741	S	72.1	Confident	75.6	Confident	40 Å²	40	40.9 Å²	40.9	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-87.8	-23.4	177.8	72.8	0	0	0	0	113.5	A675 F737 V738 T743	A675-S741 VanDerWaalsContact CB-CB 3.5Å; F737-S741 PolarHBondContact O-N 3.03Å; V738-S741 PolarHBondContact O-N 2.89Å; V738-S741 VanDerWaalsContact O-N 3.14Å; V738-S741 PolarHBondContact O-OG 3.35Å; S741-T743 PolarHBondContact O-N 3.44Å; S741-T743 PolarHBondContact O-OG1 3.11Å
742	V	76	Confident	76.8	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.03	19%	0.193	C	C	.	.			trans	-49.5	126.4	174.8	165.2	0	0	0	0	111.9	V738 V747 R749 Y800 L801 I804 L806	V738-V742 PolarHBondContact O-N 2.76Å; V742-V747 HydrophobicContact CG1-CB 3.75Å; V742-V747 HydrophobicContact CG1-CG1 3.54Å; V742-R749 VanDerWaalsContact O-CD 3.28Å; V742-R749 WeakPolarHBondContact O-CD 3.35Å; V742-R749 WeakPolarHBondContact O-CG 3.43Å; V742-Y800 HydrophobicContact CG1-CE1 4.03Å; V742-Y800 HydrophobicContact CG2-CE1 4.45Å; V742-L801 HydrophobicContact CG2-CD2 4.43Å; V742-I804 HydrophobicContact CG2-CD1 4.03Å; V742-L806 HydrophobicContact CG2-CD1 4.26Å
743	T	75.7	Confident	77.8	Confident	93 Å²	93	34.9 Å²	34.9	57%	0.571	18%	0.184	S	C	*	.			trans	-140.3	59.7	-169.4	26.7	0	0	0	0	110.5	S741 Y800	S741-T743 PolarHBondContact O-N 3.44Å; S741-T743 PolarHBondContact O-OG1 3.11Å; T743-Y800 PolarHBondContact N-OH 3.37Å; T743-Y800 PolarHBondContact OG1-OH 2.9Å; T743-Y800 VanDerWaalsContact OG1-OH 3.14Å
744	S	85.8	Confident	78.6	Confident	15 Å²	15	32.2 Å²	32.2	11%	0.105	17%	0.17	C	C	.	.			trans	-128.3	136.8	175.8	172.3	0	0	0	0	111.1	Y746 V747 Y800	S744-Y746 PolarHBondContact O-N 3.13Å; S744-Y746 VanDerWaalsContact O-N 3.14Å; S744-Y746 PolarHBondContact OG-N 3.49Å; S744-V747 PolarHBondContact O-N 3.07Å; S744-V747 VanDerWaalsContact O-N 3.16Å; S744-Y800 VanDerWaalsContact CB-CD1 3.47Å; S744-Y800 VanDerWaalsContact CB-CG 3.49Å
745	P	86.8	Confident	79.3	Confident	71 Å²	71	31.1 Å²	31.1	46%	0.461	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.1	-179.7	28	-35.5	0	0	0	113.3	H823 K825	P745-H823 PolarHBondContact O-NE2 2.79Å; P745-K825 VanDerWaalsContact O-CE 3.29Å; P745-K825 WeakPolarHBondContact O-CE 3.39Å; P745-K825 WeakPolarHBondContact O-CG 3.37Å
746	Y	91.9	Very high	79.6	Confident	59 Å²	59	30.3 Å²	30.3	23%	0.231	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	11.4	179.1	-50.6	-64.5	0	0	0	113.1	S744 Q793 K796 K825 I826	S744-Y746 PolarHBondContact O-N 3.13Å; S744-Y746 VanDerWaalsContact O-N 3.14Å; S744-Y746 PolarHBondContact OG-N 3.49Å; Y746-Q793 WeakPolarHBondContact CB-O 3.41Å; Y746-Q793 HydrophobicContact CD1-CB 3.75Å; Y746-Q793 HydrophobicContact CD1-CG 3.79Å; Y746-Q793 HydrophobicContact CE1-CB 4.05Å; Y746-Q793 HydrophobicContact CE1-CG 3.55Å; Y746-Q793 HydrophobicContact CG-CB 4.38Å; Y746-K796 HydrophobicContact CD2-CB 3.6Å; Y746-K796 HydrophobicContact CE2-CB 3.82Å; Y746-K796 HydrophobicContact CE2-CD 3.89Å; Y746-K796 HydrophobicContact CE2-CG 4.47Å; Y746-K796 HydrophobicContact CG-CB 4.41Å; Y746-K825 CarbonylContact O-C 3.58Å; Y746-K825 WeakPolarHBondContact O-CA 3.49Å; Y746-I826 PolarHBondContact O-N 2.98Å
747	V	88.4	Confident	79.3	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-130.4	137.9	179.2	-169.8	0	0	0	0	110.2	V742 S744 R749 Y800 L801 F829	V742-V747 HydrophobicContact CG1-CB 3.75Å; V742-V747 HydrophobicContact CG1-CG1 3.54Å; S744-V747 PolarHBondContact O-N 3.07Å; S744-V747 VanDerWaalsContact O-N 3.16Å; V747-R749 PolarHBondContact O-N 3Å; V747-Y800 HydrophobicContact CG2-CD1 4.39Å; V747-L801 HydrophobicContact CG2-CG 4.47Å; V747-F829 HydrophobicContact CG1-CD2 4.44Å; V747-F829 HydrophobicContact CG1-CE2 3.38Å; V747-F829 HydrophobicContact CG1-CZ 3.5Å
748	C	86.5	Confident	79.3	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.034	18%	0.184	C	C	.	.			trans	-80.3	103	-177.9	-170.7	0	0	0	0	111.2	I826	C748-I826 VanDerWaalsContact CB-O 3.24Å; C748-I826 WeakPolarHBondContact CB-O 3.42Å; C748-I826 PolarHBondContact N-O 3.14Å
749	R	82.9	Confident	79.8	Confident	67 Å²	67	31.5 Å²	31.5	25%	0.253	19%	0.185	S	C	.	.			trans	-67.9	143.2	176.9	-170.8	177.7	-172.7	-178	5.8	112.6	A740 V742 V747	A740-R749 VanDerWaalsContact O-CZ 3.31Å; A740-R749 PolarHBondContact O-NE 2.77Å; A740-R749 PolarHBondContact O-NH2 2.89Å; V742-R749 VanDerWaalsContact O-CD 3.28Å; V742-R749 WeakPolarHBondContact O-CD 3.35Å; V742-R749 WeakPolarHBondContact O-CG 3.43Å; V747-R749 PolarHBondContact O-N 3Å
750	L	84.6	Confident	80.5	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.8	167.4	-169.7	72.6	0	0	0	110.3	A736 M739 A740 L761 V762 T763	A736-L750 HydrophobicContact CB-CD2 3.97Å; A736-L750 WeakPolarHBondContact O-CD2 3.45Å; M739-L750 HydrophobicContact CB-CB 4Å; M739-L750 HydrophobicContact CB-CD2 4.39Å; M739-L750 WeakPolarHBondContact O-CB 3.44Å; M739-L750 PolarHBondContact O-N 3.42Å; A740-L750 HydrophobicContact CB-CB 4.34Å; A740-L750 HydrophobicContact CB-CD2 4.46Å; L750-L761 HydrophobicContact CD1-CB 3.82Å; L750-L761 HydrophobicContact CD1-CD2 4.08Å; L750-L761 HydrophobicContact CD1-CG 4.48Å; L750-L761 HydrophobicContact CD2-CD2 4.13Å; L750-V762 WeakPolarHBondContact CD1-O 3.32Å; L750-T763 HydrophobicContact CD1-CG2 4.1Å
751	L	84.3	Confident	81	Confident	10 Å²	10	31.3 Å²	31.3	5%	0.052	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-34.8	177.2	-54.2	178.2	0	0	0	111.4	W704 V715 V762 Q764 A987 L991	W704-L751 HydrophobicContact CZ3-CB 4.44Å; V715-L751 HydrophobicContact CG1-CD1 3.67Å; L751-V762 WeakPolarHBondContact CB-O 3.27Å; L751-V762 PolarHBondContact N-O 2.91Å; L751-Q764 HydrophobicContact CD1-CB 4.45Å; L751-A987 HydrophobicContact CD1-CB 3.87Å; L751-A987 HydrophobicContact CD2-CB 3.93Å; L751-L991 HydrophobicContact CD2-CD1 3.46Å; L751-L991 VanDerWaalsContact CD2-CD1 3.46Å; L751-L991 HydrophobicContact CD2-CG 4.45Å
752	G	83.3	Confident	81.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	179.7	177.2	0	0	0	0	0	113.3	R678 V762	R678-G752 CarbonylContact O-C 3.59Å; R678-G752 WeakPolarHBondContact O-CA 3.4Å; G752-V762 PolarHBondContact N-O 3.3Å; G752-V762 WeakPolarHBondContact O-CB 3.37Å; G752-V762 PolarHBondContact O-N 3.39Å
753	I	85.4	Confident	82.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.6	-179.5	-167.5	164.6	0	0	0	109.8	M677 R678 I679 L680 L733 A736 L755 V759 Q760 L761	M677-I753 HydrophobicContact CE-CB 4.29Å; M677-I753 HydrophobicContact CE-CD1 3.99Å; M677-I753 HydrophobicContact CE-CG2 3.75Å; R678-I753 PolarHBondContact O-N 3.09Å; I679-I753 CarbonylContact C-O 3.56Å; I679-I753 WeakPolarHBondContact CA-O 3.43Å; I679-I753 HydrophobicContact CG1-CG2 4.17Å; L680-I753 PolarHBondContact N-O 2.97Å; L733-I753 HydrophobicContact CD2-CD1 3.91Å; A736-I753 HydrophobicContact CB-CD1 4.09Å; I753-L755 HydrophobicContact CD1-CD2 3.8Å; I753-L755 HydrophobicContact CG1-CD2 3.84Å; I753-L755 HydrophobicContact CG1-CG 4.33Å; I753-L755 HydrophobicContact CG2-CG 4.42Å; I753-V759 HydrophobicContact CD1-CG1 3.78Å; I753-V759 HydrophobicContact CG1-CG1 3.99Å; I753-Q760 CarbonylContact C-O 3.57Å; I753-Q760 WeakPolarHBondContact CA-O 3.46Å; I753-L761 HydrophobicContact CD1-CD2 3.93Å; I753-L761 HydrophobicContact CG1-CD2 4.08Å
754	C	83.6	Confident	82.8	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.1	171.3	-164.7	0	0	0	0	109.3	L680 L685 Q760	L680-C754 PolarHBondContact O-SG 2.92Å; L685-C754 HydrophobicContact CD1-CB 3.61Å; C754-Q760 HydrophobicContact CB-CB 3.99Å; C754-Q760 HydrophobicContact CB-CG 4.16Å; C754-Q760 PolarHBondContact N-O 3.39Å; C754-Q760 PolarHBondContact O-N 2.81Å
755	L	76.9	Confident	82.8	Confident	60 Å²	60	26.2 Å²	26.2	31%	0.314	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	77.6	-174.6	-62.2	177.5	0	0	0	109.6	L661 I679 L733 I753 V759	L661-L755 HydrophobicContact CD2-CD1 3.67Å; I679-L755 HydrophobicContact CD1-CD1 4.44Å; I679-L755 HydrophobicContact CG2-CD1 4.45Å; L733-L755 HydrophobicContact CD2-CD1 4.28Å; L733-L755 HydrophobicContact CD2-CD2 4.28Å; I753-L755 HydrophobicContact CD1-CD2 3.8Å; I753-L755 HydrophobicContact CG1-CD2 3.84Å; I753-L755 HydrophobicContact CG1-CG 4.33Å; I753-L755 HydrophobicContact CG2-CG 4.42Å; L755-V759 HydrophobicContact CD2-CG1 4.22Å; L755-V759 HydrophobicContact CD2-CG2 4.03Å
756	T	72.5	Confident	82.8	Confident	44 Å²	44	22.8 Å²	22.8	27%	0.27	13%	0.127	S	C	.	.	S	Bend	trans	-99.4	-158.1	174.7	47.4	0	0	0	0	110.5	E682 A758 Q760	E682-T756 HydrophobicContact CB-CG2 3.94Å; E682-T756 HydrophobicContact CG-CG2 4.46Å; T756-A758 VanDerWaalsContact C-N 3.3Å; T756-A758 CarbonylContact C-O 3.54Å; T756-A758 PolarHBondContact N-O 3.13Å; T756-A758 PolarHBondContact O-N 3.41Å; T756-A758 PolarHBondContact OG1-O 2.92Å; T756-Q760 PolarHBondContact OG1-NE2 3.21Å
757	S	64.9	Low	82	Confident	113 Å²	113	21.5 Å²	21.5	79%	0.79	13%	0.126	S	C	*	.	S	Bend	trans	-55.1	-46.3	172.1	51.3	0	0	0	0	112.1
758	A	70.8	Confident	81.7	Confident	16 Å²	16	22.3 Å²	22.3	13%	0.132	13%	0.128	C	C	.	.	S	Bend	trans	-98.8	148.5	164.1	0	0	0	0	0	110.6	V719 E722 T756	V719-A758 HydrophobicContact CG1-CB 3.78Å; E722-A758 HydrophobicContact CG-CB 4.42Å; T756-A758 VanDerWaalsContact C-N 3.3Å; T756-A758 CarbonylContact C-O 3.54Å; T756-A758 PolarHBondContact N-O 3.13Å; T756-A758 PolarHBondContact O-N 3.41Å; T756-A758 PolarHBondContact OG1-O 2.92Å
759	V	78.5	Confident	81.7	Confident	31 Å²	31	22 Å²	22	19%	0.188	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.8	170.9	175.2	0	0	0	0	109.5	L720 I732 I753 L755	L720-V759 HydrophobicContact CD1-CB 4.15Å; L720-V759 HydrophobicContact CD1-CG1 3.99Å; L720-V759 PolarHBondContact N-O 3.41Å; I732-V759 HydrophobicContact CG2-CG1 4.3Å; I753-V759 HydrophobicContact CD1-CG1 3.78Å; I753-V759 HydrophobicContact CG1-CG1 3.99Å; L755-V759 HydrophobicContact CD2-CG1 4.22Å; L755-V759 HydrophobicContact CD2-CG2 4.03Å
760	Q	85.8	Confident	81.9	Confident	3 Å²	3	18.9 Å²	18.9	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.3	177.9	-30.1	-179.4	42.7	0	0	109.9	E682 I717 K718 V719 I753 C754 T756	E682-Q760 PolarHBondContact OE1-NE2 2.92Å; I717-Q760 HydrophobicContact CG2-CB 3.96Å; K718-Q760 CarbonylContact O-C 3.59Å; K718-Q760 WeakPolarHBondContact O-CA 3.16Å; V719-Q760 HydrophobicContact CG1-CG 4.49Å; V719-Q760 HydrophobicContact CG2-CB 4.32Å; V719-Q760 HydrophobicContact CG2-CG 4.11Å; I753-Q760 CarbonylContact C-O 3.57Å; I753-Q760 WeakPolarHBondContact CA-O 3.46Å; C754-Q760 HydrophobicContact CB-CB 3.99Å; C754-Q760 HydrophobicContact CB-CG 4.16Å; C754-Q760 PolarHBondContact N-O 3.39Å; C754-Q760 PolarHBondContact O-N 2.81Å; T756-Q760 PolarHBondContact OG1-NE2 3.21Å
761	L	84.9	Confident	82.3	Confident	17 Å²	17	18.8 Å²	18.8	9%	0.089	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.6	175.4	-63.1	176.1	0	0	0	109.7	K718 L720 A736 L750 I753	K718-L761 HydrophobicContact CB-CB 4.42Å; K718-L761 PolarHBondContact N-O 2.73Å; K718-L761 PolarHBondContact O-N 3.48Å; L720-L761 HydrophobicContact CD1-CD1 4.36Å; L720-L761 HydrophobicContact CD2-CD1 4.31Å; A736-L761 HydrophobicContact CB-CD2 4.05Å; L750-L761 HydrophobicContact CD1-CB 3.82Å; L750-L761 HydrophobicContact CD1-CD2 4.08Å; L750-L761 HydrophobicContact CD1-CG 4.48Å; L750-L761 HydrophobicContact CD2-CD2 4.13Å; I753-L761 HydrophobicContact CD1-CD2 3.93Å; I753-L761 HydrophobicContact CG1-CD2 4.08Å
762	V	87.6	Confident	82.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.5	-174.4	-172.8	0	0	0	0	111	L680 L685 V715 A716 I717 L750 L751 G752	L680-V762 HydrophobicContact CD1-CB 4.08Å; L680-V762 HydrophobicContact CD1-CG1 4.26Å; L680-V762 HydrophobicContact CD1-CG2 4.02Å; L685-V762 HydrophobicContact CD1-CG2 3.83Å; L685-V762 HydrophobicContact CD2-CG1 4.19Å; L685-V762 HydrophobicContact CD2-CG2 4.11Å; V715-V762 HydrophobicContact CB-CG1 3.73Å; V715-V762 HydrophobicContact CG1-CG1 3.89Å; V715-V762 HydrophobicContact CG2-CG1 4Å; A716-V762 WeakPolarHBondContact O-CA 3.49Å; I717-V762 HydrophobicContact CG1-CG1 4.44Å; I717-V762 HydrophobicContact CG1-CG2 4.37Å; L750-V762 WeakPolarHBondContact CD1-O 3.32Å; L751-V762 WeakPolarHBondContact CB-O 3.27Å; L751-V762 PolarHBondContact N-O 2.91Å; G752-V762 PolarHBondContact N-O 3.3Å; G752-V762 WeakPolarHBondContact O-CB 3.37Å; G752-V762 PolarHBondContact O-N 3.39Å
763	T	87.9	Confident	82.8	Confident	21 Å²	21	19.4 Å²	19.4	13%	0.129	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	168.8	178.5	57.1	0	0	0	0	111.5	V715 A716 L750	V715-T763 CarbonylContact C-O 3.55Å; V715-T763 WeakPolarHBondContact CA-O 3.45Å; V715-T763 WeakPolarHBondContact CB-O 3.31Å; A716-T763 PolarHBondContact N-O 3.25Å; A716-T763 PolarHBondContact O-N 3.46Å; L750-T763 HydrophobicContact CD1-CG2 4.1Å
764	Q	85.8	Confident	83	Confident	12 Å²	12	19.7 Å²	19.7	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.5	175.2	173.8	172.9	46.7	0	0	111.7	L751 M766 D986 A987 E988	L751-Q764 HydrophobicContact CD1-CB 4.45Å; Q764-M766 HydrophobicContact CB-CE 3.81Å; Q764-M766 HydrophobicContact CG-CE 3.79Å; Q764-M766 PolarHBondContact O-N 2.77Å; Q764-D986 PolarHBondContact NE2-OD1 2.77Å; Q764-D986 PolarHBondContact NE2-OD2 3.12Å; Q764-D986 VanDerWaalsContact NE2-OD2 3.12Å; Q764-A987 HydrophobicContact CB-CB 4.07Å; Q764-A987 HydrophobicContact CG-CB 4.09Å; Q764-E988 PolarHBondContact OE1-OE2 3.41Å
765	L	85.9	Confident	83.3	Confident	13 Å²	13	19.6 Å²	19.6	7%	0.068	12%	0.118	C	C	.	.			trans	-73.7	117.6	173	-163.5	76.9	0	0	0	110.9	L691 K701 P714 A716 L974 Y1098	L691-L765 HydrophobicContact CD1-CD1 3.74Å; K701-L765 HydrophobicContact CG-CD1 4.36Å; K701-L765 HydrophobicContact CG-CD2 4.07Å; P714-L765 HydrophobicContact CB-CB 4.13Å; P714-L765 HydrophobicContact CB-CD2 4.04Å; P714-L765 WeakPolarHBondContact O-CB 3.45Å; P714-L765 PolarHBondContact O-N 2.81Å; A716-L765 HydrophobicContact CB-CD1 4.24Å; L765-L974 HydrophobicContact CD2-CD2 3.84Å; L765-Y1098 WeakPolarHBondContact CA-OH 3.25Å; L765-Y1098 HydrophobicContact CD1-CE2 4.24Å; L765-Y1098 WeakPolarHBondContact CD1-OH 3.38Å
766	M	86.3	Confident	83.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.			trans	-93.9	114.4	176	-60.7	-61.7	157	0	0	108.7	Q764 Y768 G769 L817 K819 K825 Y1098	Q764-M766 HydrophobicContact CB-CE 3.81Å; Q764-M766 HydrophobicContact CG-CE 3.79Å; Q764-M766 PolarHBondContact O-N 2.77Å; M766-Y768 VanDerWaalsContact C-N 3.25Å; M766-Y768 PolarHBondContact O-N 2.82Å; M766-Y768 VanDerWaalsContact O-N 3.13Å; M766-G769 PolarHBondContact O-N 2.71Å; M766-L817 HydrophobicContact CB-CB 3.94Å; M766-L817 HydrophobicContact CB-CD1 4.24Å; M766-L817 HydrophobicContact CG-CB 3.76Å; M766-L817 HydrophobicContact CG-CD1 3.74Å; M766-L817 HydrophobicContact CG-CG 4.4Å; M766-K819 HydrophobicContact SD-CB 3.73Å; M766-K819 HydrophobicContact SD-CD 4.32Å; M766-K819 HydrophobicContact SD-CG 3.89Å; M766-K825 HydrophobicContact CE-CD 3.86Å; M766-K825 HydrophobicContact SD-CD 4.43Å; M766-Y1098 PolarHBondContact N-OH 2.81Å; M766-Y1098 PolarHBondContact O-OH 3.23Å
767	P	75.9	Confident	84.5	Confident	31 Å²	31	23 Å²	23	20%	0.201	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	8.2	-161.2	32.9	-37.6	0	0	0	115.3	F970 Y971 L974	P767-F970 WeakPolarHBondContact O-CD1 3.42Å; P767-Y971 HydrophobicContact CB-CD2 4.08Å; P767-Y971 HydrophobicContact CB-CE2 4.34Å; P767-L974 HydrophobicContact CB-CD1 4.21Å
768	Y	81.5	Confident	85.5	Confident	20 Å²	20	17.8 Å²	17.8	8%	0.078	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	11.5	175.8	-64.6	-93.8	0	0	0	113.4	M766 Y774 V818 K819 N820 Y971	M766-Y768 VanDerWaalsContact C-N 3.25Å; M766-Y768 PolarHBondContact O-N 2.82Å; M766-Y768 VanDerWaalsContact O-N 3.13Å; Y768-Y774 AromaticContact CD1-CE2 3.96Å; Y768-Y774 HydrophobicContact CD1-CE2 3.96Å; Y768-Y774 HydrophobicContact CG-CE2 4.47Å; Y768-V818 HydrophobicContact CG-CG1 4.22Å; Y768-V818 PolarHBondContact N-O 3.48Å; Y768-K819 WeakPolarHBondContact CD2-O 3.42Å; Y768-N820 HydrophobicContact CE2-CB 4.26Å; Y768-Y971 HydrophobicContact CE1-CD2 4.28Å; Y768-Y971 HydrophobicContact CE1-CG 4.22Å; Y768-Y971 HydrophobicContact CE2-CD2 4.08Å; Y768-Y971 HydrophobicContact CE2-CE2 4.27Å; Y768-Y971 AromaticContact CZ-CD2 3.85Å
769	G	85.5	Confident	86.2	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.			trans	73	-146.4	175.2	0	0	0	0	0	113.8	M766 L817 V818	M766-G769 PolarHBondContact O-N 2.71Å; G769-L817 WeakPolarHBondContact O-CA 3.3Å; G769-V818 PolarHBondContact O-N 3.06Å
770	C	88.3	Confident	86.3	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-93.1	153.1	178.4	69.1	0	0	0	0	112.5	L772 D773 Y774 V816 L817 C1099	C770-L772 PolarHBondContact O-N 3.07Å; C770-D773 PolarHBondContact O-N 3.04Å; C770-Y774 VanDerWaalsContact O-CB 3.32Å; C770-Y774 WeakPolarHBondContact O-CB 3.49Å; C770-Y774 PolarHBondContact O-N 3.21Å; C770-V816 CarbonylContact C-O 3.51Å; C770-V816 VanDerWaalsContact CA-O 3.3Å; C770-V816 WeakPolarHBondContact CA-O 3.47Å; C770-L817 HydrophobicContact CB-CD2 4.27Å; C770-C1099 HydrophobicContact CB-CB 3.66Å; C770-C1099 WeakPolarHBondContact CB-SG 3.27Å; C770-C1099 WeakPolarHBondContact SG-CA 3.5Å; C770-C1099 WeakPolarHBondContact SG-CB 3.34Å; C770-C1099 PolarHBondContact SG-N 2.9Å; C770-C1099 CovalentContact SG-SG 2.02Å; C770-C1099 PolarHBondContact SG-SG 2.95Å
771	L	92.3	Very high	86	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-35.9	-177.1	-173.7	57.6	0	0	0	112.3	Y774 V775 W790 I794 V816 V818 V824 L880	L771-Y774 HydrophobicContact CD1-CD1 4.46Å; L771-Y774 PolarHBondContact O-N 2.83Å; L771-V775 HydrophobicContact CD1-CG1 3.95Å; L771-V775 HydrophobicContact CG-CG1 4.34Å; L771-V775 WeakPolarHBondContact O-CG1 3.38Å; L771-V775 WeakPolarHBondContact O-CG2 3.26Å; L771-V775 PolarHBondContact O-N 2.75Å; L771-W790 HydrophobicContact CD1-CD2 3.95Å; L771-W790 HydrophobicContact CD1-CE3 3.87Å; L771-W790 HydrophobicContact CD1-CG 4.47Å; L771-W790 HydrophobicContact CD1-CZ3 4.17Å; L771-W790 HydrophobicContact CD2-CB 4.33Å; L771-I794 HydrophobicContact CD2-CD1 4.04Å; L771-V816 HydrophobicContact CB-CB 4.04Å; L771-V816 HydrophobicContact CB-CG1 4.11Å; L771-V816 HydrophobicContact CD2-CB 4.21Å; L771-V816 HydrophobicContact CD2-CG1 3.81Å; L771-V816 PolarHBondContact N-O 2.91Å; L771-V818 HydrophobicContact CB-CG2 4.09Å; L771-V818 HydrophobicContact CD1-CG2 3.86Å; L771-V824 HydrophobicContact CD1-CG1 4.23Å; L771-V824 HydrophobicContact CD2-CG1 4.28Å; L771-L880 HydrophobicContact CD1-CD2 4.43Å; L771-L880 HydrophobicContact CD2-CD1 4.23Å; L771-L880 HydrophobicContact CD2-CD2 3.55Å; L771-L880 HydrophobicContact CG-CD2 3.67Å
772	L	91.6	Very high	86.1	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-47.8	177.2	179.2	62.4	0	0	0	113.3	C770 V775 R776 A813 R814 G884	C770-L772 PolarHBondContact O-N 3.07Å; L772-V775 WeakPolarHBondContact O-CG2 3.32Å; L772-R776 WeakPolarHBondContact O-CD 3.43Å; L772-R776 VanDerWaalsContact O-CG 3.3Å; L772-R776 WeakPolarHBondContact O-CG 3.42Å; L772-R776 PolarHBondContact O-N 3.36Å; L772-A813 HydrophobicContact CB-CB 3.93Å; L772-A813 HydrophobicContact CD1-CB 4.2Å; L772-A813 PolarHBondContact N-O 2.95Å; L772-A813 VanDerWaalsContact N-O 3.1Å; L772-R814 HydrophobicContact CD2-CB 4.11Å; L772-G884 VanDerWaalsContact CD1-CA 3.44Å
773	D	87.5	Confident	86	Confident	22 Å²	22	32.9 Å²	32.9	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-71.4	-37.7	176.1	-72.5	-13.7	0	0	0	110.1	C770 V775 R776 E777 C1099	C770-D773 PolarHBondContact O-N 3.04Å; D773-V775 PolarHBondContact O-N 2.94Å; D773-R776 PolarHBondContact O-N 2.86Å; D773-R776 IonicContact OD1-NH1 3.63Å; D773-R776 PolarHBondContact OD1-NH1 2.91Å; D773-E777 WeakPolarHBondContact O-CB 3.31Å; D773-E777 WeakPolarHBondContact O-CG 3.47Å; D773-E777 PolarHBondContact O-N 3.21Å; D773-C1099 WeakPolarHBondContact OD2-CA 3.32Å
774	Y	88.3	Confident	86.1	Confident	6 Å²	6	32 Å²	32	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-44.1	176.7	-173.3	-86.7	0	0	0	113.5	Y768 C770 L771 R776 N778 I782 W790 V818 P821	Y768-Y774 AromaticContact CD1-CE2 3.96Å; Y768-Y774 HydrophobicContact CD1-CE2 3.96Å; Y768-Y774 HydrophobicContact CG-CE2 4.47Å; C770-Y774 VanDerWaalsContact O-CB 3.32Å; C770-Y774 WeakPolarHBondContact O-CB 3.49Å; C770-Y774 PolarHBondContact O-N 3.21Å; L771-Y774 HydrophobicContact CD1-CD1 4.46Å; L771-Y774 PolarHBondContact O-N 2.83Å; Y774-R776 VanDerWaalsContact C-N 3.33Å; Y774-R776 PolarHBondContact O-N 2.81Å; Y774-N778 WeakPolarHBondContact O-CB 3.41Å; Y774-N778 PolarHBondContact O-N 2.9Å; Y774-N778 VanDerWaalsContact O-N 3.15Å; Y774-N778 PolarHBondContact O-ND2 3.01Å; Y774-I782 HydrophobicContact CD1-CD1 4.45Å; Y774-I782 HydrophobicContact CE1-CD1 4.33Å; Y774-W790 HydrophobicContact CD1-CH2 4.12Å; Y774-W790 HydrophobicContact CD1-CZ2 4.41Å; Y774-W790 AromaticContact CE1-CH2 3.82Å; Y774-W790 HydrophobicContact CE1-CH2 3.82Å; Y774-W790 AromaticContact CE1-CZ2 3.93Å; Y774-W790 HydrophobicContact CE1-CZ2 3.93Å; Y774-V818 HydrophobicContact CD2-CG1 4.4Å; Y774-V818 HydrophobicContact CD2-CG2 4.48Å; Y774-V818 HydrophobicContact CE2-CG1 4.44Å; Y774-V818 HydrophobicContact CG-CG2 4.13Å; Y774-P821 WeakPolarHBondContact OH-CG 3.35Å
775	V	90	Very high	86.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.7	-28	178.2	-61	0	0	0	0	113	L771 L772 D773 K779 I782 W790 L880	L771-V775 HydrophobicContact CD1-CG1 3.95Å; L771-V775 HydrophobicContact CG-CG1 4.34Å; L771-V775 WeakPolarHBondContact O-CG1 3.38Å; L771-V775 WeakPolarHBondContact O-CG2 3.26Å; L771-V775 PolarHBondContact O-N 2.75Å; L772-V775 WeakPolarHBondContact O-CG2 3.32Å; D773-V775 PolarHBondContact O-N 2.94Å; V775-K779 WeakPolarHBondContact O-CA 3.43Å; V775-K779 PolarHBondContact O-N 3.43Å; V775-K779 VanDerWaalsContact O-N 3.14Å; V775-I782 HydrophobicContact CB-CD1 4.23Å; V775-I782 HydrophobicContact CG1-CD1 4.16Å; V775-W790 HydrophobicContact CG1-CE3 4.3Å; V775-W790 HydrophobicContact CG1-CH2 4.44Å; V775-W790 HydrophobicContact CG1-CZ3 3.7Å; V775-L880 HydrophobicContact CG1-CD2 4.06Å
776	R	89.7	Confident	86.3	Confident	92 Å²	92	34.1 Å²	34.1	35%	0.347	16%	0.156	S	C	.	.	H	α-helix	trans	-72.6	-45.8	174	-70.4	166.9	172.5	165.9	-3	111.7	L772 D773 Y774 N778 F883 G884	L772-R776 WeakPolarHBondContact O-CD 3.43Å; L772-R776 VanDerWaalsContact O-CG 3.3Å; L772-R776 WeakPolarHBondContact O-CG 3.42Å; L772-R776 PolarHBondContact O-N 3.36Å; D773-R776 PolarHBondContact O-N 2.86Å; D773-R776 IonicContact OD1-NH1 3.63Å; D773-R776 PolarHBondContact OD1-NH1 2.91Å; Y774-R776 VanDerWaalsContact C-N 3.33Å; Y774-R776 PolarHBondContact O-N 2.81Å; R776-N778 VanDerWaalsContact C-N 3.25Å; R776-N778 PolarHBondContact O-N 3.06Å; R776-F883 WeakPolarHBondContact CG-O 3.44Å; R776-G884 VanDerWaalsContact CZ-O 3.29Å; R776-G884 PolarHBondContact NE-O 3.5Å; R776-G884 PolarHBondContact NH2-O 2.77Å
777	E	85.9	Confident	86.7	Confident	83 Å²	83	34.1 Å²	34.1	39%	0.388	16%	0.156	S	C	.	.	H	α-helix	trans	-68.4	-21.5	179.6	-73.4	179.8	-170.8	0	0	113.5	D773	D773-E777 WeakPolarHBondContact O-CB 3.31Å; D773-E777 WeakPolarHBondContact O-CG 3.47Å; D773-E777 PolarHBondContact O-N 3.21Å
778	N	84.6	Confident	87.5	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	14.6	-170.7	-61.1	-77.5	0	0	0	114.5	Y774 R776 D780 R781 I782 V966	Y774-N778 WeakPolarHBondContact O-CB 3.41Å; Y774-N778 PolarHBondContact O-N 2.9Å; Y774-N778 VanDerWaalsContact O-N 3.15Å; Y774-N778 PolarHBondContact O-ND2 3.01Å; R776-N778 VanDerWaalsContact C-N 3.25Å; R776-N778 PolarHBondContact O-N 3.06Å; N778-D780 VanDerWaalsContact C-N 3.28Å; N778-D780 PolarHBondContact O-N 3.21Å; N778-D780 VanDerWaalsContact O-N 3.11Å; N778-R781 WeakPolarHBondContact O-CA 3.48Å; N778-R781 PolarHBondContact O-N 2.02Å; N778-R781 PolarHBondContact OD1-NH2 2.97Å; N778-I782 HydrophobicContact CB-CD1 3.82Å; N778-I782 HydrophobicContact CB-CG1 4.16Å; N778-I782 WeakPolarHBondContact O-CG1 3.02Å; N778-I782 PolarHBondContact O-N 3.3Å; N778-V966 WeakPolarHBondContact OD1-CG1 3.01Å
779	K	85.3	Confident	88.1	Confident	110 Å²	110	34.1 Å²	34.1	48%	0.478	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-39.5	-53.4	-178.3	175.8	179.3	176	-169.4	0	113.5	V775 R781 I782 F883	V775-K779 WeakPolarHBondContact O-CA 3.43Å; V775-K779 PolarHBondContact O-N 3.43Å; V775-K779 VanDerWaalsContact O-N 3.14Å; K779-R781 PolarHBondContact O-N 3.27Å; K779-R781 VanDerWaalsContact O-N 3.08Å; K779-I782 PolarHBondContact O-N 2.91Å; K779-F883 HydrophobicContact CB-CB 4.39Å; K779-F883 HydrophobicContact CB-CD1 4.07Å; K779-F883 HydrophobicContact CB-CG 4.32Å; K779-F883 HydrophobicContact CD-CB 4.18Å; K779-F883 HydrophobicContact CD-CD2 4.41Å; K779-F883 HydrophobicContact CD-CG 4.21Å; K779-F883 HydrophobicContact CG-CB 4.05Å; K779-F883 HydrophobicContact CG-CD1 3.76Å; K779-F883 HydrophobicContact CG-CD2 4.11Å; K779-F883 HydrophobicContact CG-CE1 4.18Å; K779-F883 HydrophobicContact CG-CE2 4.49Å; K779-F883 HydrophobicContact CG-CG 3.71Å
780	D	81.8	Confident	88.6	Confident	129 Å²	129	34.2 Å²	34.2	69%	0.69	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-80.5	14.8	-173.9	-42.2	-54.6	0	0	0	113.7	N778 M960	N778-D780 VanDerWaalsContact C-N 3.28Å; N778-D780 PolarHBondContact O-N 3.21Å; N778-D780 VanDerWaalsContact O-N 3.11Å; D780-M960 VanDerWaalsContact O-CE 3.23Å; D780-M960 WeakPolarHBondContact O-CE 3.34Å
781	R	79.5	Confident	89	Confident	140 Å²	140	34.1 Å²	34.1	53%	0.528	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-133.8	7.3	177.9	-63.8	-171.7	-71.6	-112.1	-0.2	113.2	N778 K779	N778-R781 WeakPolarHBondContact O-CA 3.48Å; N778-R781 PolarHBondContact O-N 2.02Å; N778-R781 PolarHBondContact OD1-NH2 2.97Å; K779-R781 PolarHBondContact O-N 3.27Å; K779-R781 VanDerWaalsContact O-N 3.08Å
782	I	86.6	Confident	89.2	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	16%	0.158	C	C	.	.			trans	-108.9	104.1	-176.2	-69.4	166.9	0	0	0	109.3	Y774 V775 N778 K779 C786 L787 W790 F883	Y774-I782 HydrophobicContact CD1-CD1 4.45Å; Y774-I782 HydrophobicContact CE1-CD1 4.33Å; V775-I782 HydrophobicContact CB-CD1 4.23Å; V775-I782 HydrophobicContact CG1-CD1 4.16Å; N778-I782 HydrophobicContact CB-CD1 3.82Å; N778-I782 HydrophobicContact CB-CG1 4.16Å; N778-I782 WeakPolarHBondContact O-CG1 3.02Å; N778-I782 PolarHBondContact O-N 3.3Å; K779-I782 PolarHBondContact O-N 2.91Å; I782-C786 HydrophobicContact CG2-CB 4.28Å; I782-L787 HydrophobicContact CG2-CD1 4.33Å; I782-L787 HydrophobicContact CG2-CD2 3.88Å; I782-L787 HydrophobicContact CG2-CG 3.72Å; I782-W790 HydrophobicContact CD1-CH2 3.79Å; I782-W790 HydrophobicContact CD1-CZ3 4.07Å; I782-W790 HydrophobicContact CG1-CH2 3.93Å; I782-W790 HydrophobicContact CG1-CZ3 4.45Å; I782-W790 HydrophobicContact CG2-CH2 3.86Å; I782-W790 HydrophobicContact CG2-CZ3 3.75Å; I782-F883 HydrophobicContact CB-CE1 4.21Å; I782-F883 HydrophobicContact CG2-CE1 4.26Å
783	G	86.3	Confident	89.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	16%	0.162	C	C	.	.			trans	-75.4	164.1	173.1	0	0	0	0	0	113.7	Q785 C786 L787 D957	G783-Q785 VanDerWaalsContact C-N 3.28Å; G783-Q785 PolarHBondContact O-N 2.69Å; G783-C786 PolarHBondContact O-N 2.6Å; G783-L787 PolarHBondContact O-N 2.98Å; G783-D957 WeakPolarHBondContact CA-OD1 3.47Å
784	S	89.4	Confident	89.9	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-53.8	-42	-176.6	59.8	0	0	0	0	113	C786 L787 L788 P948 D957	S784-C786 VanDerWaalsContact C-N 3.29Å; S784-C786 PolarHBondContact O-N 2.92Å; S784-L787 PolarHBondContact O-N 2.88Å; S784-L788 PolarHBondContact O-N 2.93Å; S784-L788 VanDerWaalsContact O-N 3.12Å; S784-P948 WeakPolarHBondContact OG-CB 3.5Å; S784-D957 VanDerWaalsContact CB-OD2 3.28Å; S784-D957 WeakPolarHBondContact CB-OD2 3.4Å; S784-D957 PolarHBondContact N-OD1 3.07Å; S784-D957 VanDerWaalsContact OG-CG 3.31Å; S784-D957 PolarHBondContact OG-OD1 3.24Å; S784-D957 PolarHBondContact OG-OD2 3.46Å
785	Q	87.8	Confident	90.3	Very high	64 Å²	64	34.2 Å²	34.2	30%	0.299	16%	0.156	S	C	.	.	H	α-helix	trans	-57.7	-39.1	178.5	-177.3	68.7	91.7	0	0	112.2	G783 N789 A945 P948	G783-Q785 VanDerWaalsContact C-N 3.28Å; G783-Q785 PolarHBondContact O-N 2.69Å; Q785-N789 PolarHBondContact NE2-OD1 2.93Å; Q785-N789 WeakPolarHBondContact O-CB 3.34Å; Q785-N789 PolarHBondContact O-N 3.17Å; Q785-N789 PolarHBondContact O-ND2 3.34Å; Q785-A945 PolarHBondContact NE2-O 3.44Å; Q785-P948 HydrophobicContact CB-CB 4.41Å; Q785-P948 HydrophobicContact CB-CG 4.01Å; Q785-P948 HydrophobicContact CG-CG 4.4Å
786	C	89.1	Confident	90.6	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-43.8	-178.8	-59.9	0	0	0	0	111.2	I782 G783 S784 N789 W790 C963	I782-C786 HydrophobicContact CG2-CB 4.28Å; G783-C786 PolarHBondContact O-N 2.6Å; S784-C786 VanDerWaalsContact C-N 3.29Å; S784-C786 PolarHBondContact O-N 2.92Å; C786-N789 PolarHBondContact O-N 2.83Å; C786-W790 HydrophobicContact CB-CH2 4.18Å; C786-W790 HydrophobicContact CB-CZ2 4.07Å; C786-W790 VanDerWaalsContact O-CD2 3.27Å; C786-W790 VanDerWaalsContact O-CG 3.29Å; C786-W790 PolarHBondContact O-N 3.31Å; C786-C963 WeakPolarHBondContact CB-SG 3.4Å; C786-C963 WeakPolarHBondContact SG-CB 3.34Å; C786-C963 CovalentContact SG-SG 2.04Å; C786-C963 PolarHBondContact SG-SG 2.96Å
787	L	93.2	Very high	90.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-53.1	176.7	-69.4	169.1	0	0	0	111.7	I782 G783 S784 N789 W790 C791 L880 M881 F883 I911 L952 I954	I782-L787 HydrophobicContact CG2-CD1 4.33Å; I782-L787 HydrophobicContact CG2-CD2 3.88Å; I782-L787 HydrophobicContact CG2-CG 3.72Å; G783-L787 PolarHBondContact O-N 2.98Å; S784-L787 PolarHBondContact O-N 2.88Å; L787-N789 VanDerWaalsContact C-N 3.31Å; L787-N789 PolarHBondContact O-N 3.36Å; L787-W790 HydrophobicContact CD2-CE3 4.11Å; L787-W790 HydrophobicContact CD2-CZ3 3.96Å; L787-W790 PolarHBondContact O-N 3.36Å; L787-C791 PolarHBondContact O-N 2.73Å; L787-C791 PolarHBondContact O-SG 3.27Å; L787-L880 HydrophobicContact CD2-CB 4.36Å; L787-M881 HydrophobicContact CB-CE 4.28Å; L787-M881 HydrophobicContact CB-SD 4.14Å; L787-M881 HydrophobicContact CD1-SD 4.16Å; L787-F883 HydrophobicContact CD1-CE1 4.29Å; L787-F883 HydrophobicContact CD1-CZ 4.19Å; L787-I911 HydrophobicContact CD1-CD1 3.72Å; L787-L952 HydrophobicContact CB-CD1 3.95Å; L787-L952 HydrophobicContact CD1-CD1 4.09Å; L787-I954 HydrophobicContact CD1-CD1 3.96Å
788	L	93.1	Very high	91.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-37	178.8	-67.5	176.7	0	0	0	112	S784 C791 V792 M881 L941 M944 A945 P948 L952	S784-L788 PolarHBondContact O-N 2.93Å; S784-L788 VanDerWaalsContact O-N 3.12Å; L788-C791 PolarHBondContact O-N 2.65Å; L788-V792 WeakPolarHBondContact O-CG2 3.32Å; L788-V792 PolarHBondContact O-N 3.05Å; L788-M881 HydrophobicContact CD2-CE 3.9Å; L788-L941 HydrophobicContact CD2-CD2 4.25Å; L788-M944 HydrophobicContact CD1-CB 4.32Å; L788-A945 HydrophobicContact CB-CB 3.96Å; L788-P948 HydrophobicContact CD1-CB 3.92Å; L788-P948 HydrophobicContact CD1-CG 4.47Å; L788-L952 HydrophobicContact CD1-CD1 4.34Å; L788-L952 HydrophobicContact CD1-CG 4.49Å; L788-L952 HydrophobicContact CD2-CD1 4.15Å; L788-L952 HydrophobicContact CD2-CG 4.45Å; L788-L952 HydrophobicContact CG-CD1 3.8Å; L788-L952 HydrophobicContact CG-CG 4.35Å
789	N	93.3	Very high	91.8	Very high	51 Å²	51	30.6 Å²	30.6	27%	0.273	14%	0.143	S	C	.	.	H	α-helix	trans	-62.3	-42.2	175	-77.2	-13	0	0	0	112.1	Q785 C786 L787 V792 Q793	Q785-N789 PolarHBondContact NE2-OD1 2.93Å; Q785-N789 WeakPolarHBondContact O-CB 3.34Å; Q785-N789 PolarHBondContact O-N 3.17Å; Q785-N789 PolarHBondContact O-ND2 3.34Å; C786-N789 PolarHBondContact O-N 2.83Å; L787-N789 VanDerWaalsContact C-N 3.31Å; L787-N789 PolarHBondContact O-N 3.36Å; N789-V792 PolarHBondContact O-N 2.98Å; N789-Q793 VanDerWaalsContact O-CG 3.25Å; N789-Q793 WeakPolarHBondContact O-CG 3.3Å; N789-Q793 PolarHBondContact O-N 3.39Å
790	W	96.2	Very high	92.1	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-41.1	175	-59.1	-32	0	0	0	112	L771 Y774 V775 I782 C786 L787 V792 Q793 I794 P821 V824	L771-W790 HydrophobicContact CD1-CD2 3.95Å; L771-W790 HydrophobicContact CD1-CE3 3.87Å; L771-W790 HydrophobicContact CD1-CG 4.47Å; L771-W790 HydrophobicContact CD1-CZ3 4.17Å; L771-W790 HydrophobicContact CD2-CB 4.33Å; Y774-W790 HydrophobicContact CD1-CH2 4.12Å; Y774-W790 HydrophobicContact CD1-CZ2 4.41Å; Y774-W790 AromaticContact CE1-CH2 3.82Å; Y774-W790 HydrophobicContact CE1-CH2 3.82Å; Y774-W790 AromaticContact CE1-CZ2 3.93Å; Y774-W790 HydrophobicContact CE1-CZ2 3.93Å; V775-W790 HydrophobicContact CG1-CE3 4.3Å; V775-W790 HydrophobicContact CG1-CH2 4.44Å; V775-W790 HydrophobicContact CG1-CZ3 3.7Å; I782-W790 HydrophobicContact CD1-CH2 3.79Å; I782-W790 HydrophobicContact CD1-CZ3 4.07Å; I782-W790 HydrophobicContact CG1-CH2 3.93Å; I782-W790 HydrophobicContact CG1-CZ3 4.45Å; I782-W790 HydrophobicContact CG2-CH2 3.86Å; I782-W790 HydrophobicContact CG2-CZ3 3.75Å; C786-W790 HydrophobicContact CB-CH2 4.18Å; C786-W790 HydrophobicContact CB-CZ2 4.07Å; C786-W790 VanDerWaalsContact O-CD2 3.27Å; C786-W790 VanDerWaalsContact O-CG 3.29Å; C786-W790 PolarHBondContact O-N 3.31Å; L787-W790 HydrophobicContact CD2-CE3 4.11Å; L787-W790 HydrophobicContact CD2-CZ3 3.96Å; L787-W790 PolarHBondContact O-N 3.36Å; W790-V792 VanDerWaalsContact C-N 3.33Å; W790-V792 PolarHBondContact O-N 2.93Å; W790-Q793 PolarHBondContact O-N 3.28Å; W790-Q793 VanDerWaalsContact O-N 3.16Å; W790-I794 VanDerWaalsContact O-CG1 3.29Å; W790-I794 WeakPolarHBondContact O-CG1 3.43Å; W790-I794 PolarHBondContact O-N 3.19Å; W790-P821 PolarHBondContact NE1-O 2.84Å; W790-V824 HydrophobicContact CB-CG2 4.29Å; W790-V824 HydrophobicContact CG-CG1 4.05Å; W790-V824 HydrophobicContact CG-CG2 4.47Å
791	C	96.8	Very high	92.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-44.8	173.6	-63	0	0	0	0	111.9	L787 L788 I794 A795 Y873 V877 L941	L787-C791 PolarHBondContact O-N 2.73Å; L787-C791 PolarHBondContact O-SG 3.27Å; L788-C791 PolarHBondContact O-N 2.65Å; C791-I794 PolarHBondContact O-N 3.2Å; C791-A795 WeakPolarHBondContact O-CB 3.24Å; C791-A795 PolarHBondContact O-N 3.4Å; C791-Y873 PolarHBondContact O-OH 3.3Å; C791-V877 HydrophobicContact CB-CG2 4.44Å; C791-L941 HydrophobicContact CB-CD1 4.3Å; C791-L941 HydrophobicContact CB-CD2 4.06Å
792	V	97	Very high	92.9	Very high	8 Å²	8	16.3 Å²	16.3	5%	0.048	8%	0.078	C	C	.	.	H	α-helix	trans	-62.1	-40.5	175	168.5	0	0	0	0	112.1	L788 N789 W790 A795 K796 L941 S942 A945	L788-V792 WeakPolarHBondContact O-CG2 3.32Å; L788-V792 PolarHBondContact O-N 3.05Å; N789-V792 PolarHBondContact O-N 2.98Å; W790-V792 VanDerWaalsContact C-N 3.33Å; W790-V792 PolarHBondContact O-N 2.93Å; V792-A795 PolarHBondContact O-N 2.89Å; V792-K796 HydrophobicContact CG1-CD 3.93Å; V792-K796 VanDerWaalsContact CG1-CE 3.46Å; V792-K796 VanDerWaalsContact CG1-NZ 3.31Å; V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.29Å; V792-K796 WeakPolarHBondContact O-CG 3.46Å; V792-K796 PolarHBondContact O-N 2.87Å; V792-L941 VanDerWaalsContact CG2-C 3.42Å; V792-L941 HydrophobicContact CG2-CB 3.58Å; V792-L941 WeakPolarHBondContact CG2-O 3.43Å; V792-S942 WeakPolarHBondContact CG1-OG 3.29Å; V792-A945 HydrophobicContact CG2-CB 4.27Å
793	Q	96.6	Very high	93	Very high	21 Å²	21	21.6 Å²	21.6	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-69.3	-42.1	179.7	-71.8	177.7	37.5	0	0	112.1	Y746 N789 W790 K796 G797 N822 V824	Y746-Q793 WeakPolarHBondContact CB-O 3.41Å; Y746-Q793 HydrophobicContact CD1-CB 3.75Å; Y746-Q793 HydrophobicContact CD1-CG 3.79Å; Y746-Q793 HydrophobicContact CE1-CB 4.05Å; Y746-Q793 HydrophobicContact CE1-CG 3.55Å; Y746-Q793 HydrophobicContact CG-CB 4.38Å; N789-Q793 VanDerWaalsContact O-CG 3.25Å; N789-Q793 WeakPolarHBondContact O-CG 3.3Å; N789-Q793 PolarHBondContact O-N 3.39Å; W790-Q793 PolarHBondContact O-N 3.28Å; W790-Q793 VanDerWaalsContact O-N 3.16Å; Q793-K796 PolarHBondContact O-N 3.2Å; Q793-G797 PolarHBondContact O-N 3.02Å; Q793-N822 PolarHBondContact NE2-O 2.82Å; Q793-V824 HydrophobicContact CB-CG2 3.72Å
794	I	97.3	Very high	92.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-43.1	174.2	-61.2	162.1	0	0	0	109.8	L771 W790 C791 K796 G797 M798 L811 V816 V824 I826 Y873 T876 L880	L771-I794 HydrophobicContact CD2-CD1 4.04Å; W790-I794 VanDerWaalsContact O-CG1 3.29Å; W790-I794 WeakPolarHBondContact O-CG1 3.43Å; W790-I794 PolarHBondContact O-N 3.19Å; C791-I794 PolarHBondContact O-N 3.2Å; I794-K796 VanDerWaalsContact C-N 3.33Å; I794-K796 PolarHBondContact O-N 3.37Å; I794-G797 PolarHBondContact O-N 3.18Å; I794-M798 HydrophobicContact CG2-CG 4.46Å; I794-M798 WeakPolarHBondContact O-CG 3.31Å; I794-M798 PolarHBondContact O-N 3.21Å; I794-L811 HydrophobicContact CG2-CD1 4.16Å; I794-V816 HydrophobicContact CD1-CG1 4.25Å; I794-V816 HydrophobicContact CD1-CG2 4.04Å; I794-V816 HydrophobicContact CG1-CG1 4.15Å; I794-V816 HydrophobicContact CG1-CG2 4.14Å; I794-V824 HydrophobicContact CG1-CG2 4.28Å; I794-I826 HydrophobicContact CG2-CD1 3.93Å; I794-I826 HydrophobicContact CG2-CG1 4.3Å; I794-I826 WeakPolarHBondContact O-CD1 3.3Å; I794-Y873 HydrophobicContact CB-CE2 3.99Å; I794-Y873 HydrophobicContact CG2-CD2 3.79Å; I794-Y873 HydrophobicContact CG2-CE2 3.68Å; I794-T876 HydrophobicContact CD1-CG2 4.35Å; I794-L880 HydrophobicContact CD1-CD1 3.94Å
795	A	97.2	Very high	92.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-39.3	175.9	0	0	0	0	0	112.4	C791 V792 M798 N799 Y873 L937 V938	C791-A795 WeakPolarHBondContact O-CB 3.24Å; C791-A795 PolarHBondContact O-N 3.4Å; V792-A795 PolarHBondContact O-N 2.89Å; A795-M798 PolarHBondContact O-N 3.17Å; A795-N799 WeakPolarHBondContact O-CB 3.5Å; A795-N799 PolarHBondContact O-N 2.78Å; A795-Y873 HydrophobicContact CB-CE2 4.01Å; A795-L937 HydrophobicContact CB-CB 4.49Å; A795-V938 HydrophobicContact CB-CG2 3.55Å; A795-V938 WeakPolarHBondContact O-CG2 3.29Å
796	K	96.6	Very high	92.1	Very high	74 Å²	74	26.2 Å²	26.2	32%	0.322	12%	0.124	S	C	.	.	H	α-helix	trans	-67.7	-36.6	174.3	-74.9	170.2	-178.1	168.2	0	112.7	Y746 V792 Q793 I794 Y800 V938	Y746-K796 HydrophobicContact CD2-CB 3.6Å; Y746-K796 HydrophobicContact CE2-CB 3.82Å; Y746-K796 HydrophobicContact CE2-CD 3.89Å; Y746-K796 HydrophobicContact CE2-CG 4.47Å; Y746-K796 HydrophobicContact CG-CB 4.41Å; V792-K796 HydrophobicContact CG1-CD 3.93Å; V792-K796 VanDerWaalsContact CG1-CE 3.46Å; V792-K796 VanDerWaalsContact CG1-NZ 3.31Å; V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.29Å; V792-K796 WeakPolarHBondContact O-CG 3.46Å; V792-K796 PolarHBondContact O-N 2.87Å; Q793-K796 PolarHBondContact O-N 3.2Å; I794-K796 VanDerWaalsContact C-N 3.33Å; I794-K796 PolarHBondContact O-N 3.37Å; K796-Y800 PolarHBondContact O-N 2.88Å; K796-V938 HydrophobicContact CB-CG2 4.4Å; K796-V938 HydrophobicContact CG-CB 4.5Å; K796-V938 HydrophobicContact CG-CG1 3.83Å; K796-V938 HydrophobicContact CG-CG2 3.73Å
797	G	93.9	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-48.8	171.7	0	0	0	0	0	111.4	Q793 I794 Y800 L801	Q793-G797 PolarHBondContact O-N 3.02Å; I794-G797 PolarHBondContact O-N 3.18Å; G797-Y800 WeakPolarHBondContact O-CB 3.4Å; G797-Y800 PolarHBondContact O-N 3.01Å; G797-L801 WeakPolarHBondContact O-CG 3.46Å; G797-L801 PolarHBondContact O-N 3.24Å
798	M	94.8	Very high	91.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-70.4	-35.3	180	-66.7	-54.2	-57.3	0	0	113.9	I794 A795 Y800 L801 E802 H808 L811 I826 D869 F934	I794-M798 HydrophobicContact CG2-CG 4.46Å; I794-M798 WeakPolarHBondContact O-CG 3.31Å; I794-M798 PolarHBondContact O-N 3.21Å; A795-M798 PolarHBondContact O-N 3.17Å; M798-Y800 VanDerWaalsContact C-N 3.3Å; M798-Y800 PolarHBondContact O-N 3.08Å; M798-L801 HydrophobicContact CE-CD1 4.37Å; M798-L801 PolarHBondContact O-N 2.81Å; M798-L801 VanDerWaalsContact O-N 3.07Å; M798-L801 HydrophobicContact SD-CD1 3.9Å; M798-E802 PolarHBondContact O-N 2.89Å; M798-H808 HydrophobicContact CE-CB 3.88Å; M798-H808 HydrophobicContact SD-CB 4.39Å; M798-L811 HydrophobicContact CE-CD2 4.17Å; M798-L811 HydrophobicContact CG-CD2 3.77Å; M798-L811 HydrophobicContact SD-CD1 4.16Å; M798-L811 HydrophobicContact SD-CD2 3.83Å; M798-I826 HydrophobicContact CG-CD1 3.71Å; M798-I826 HydrophobicContact SD-CD1 3.65Å; M798-D869 HydrophobicContact CE-CB 3.72Å; M798-F934 HydrophobicContact CB-CD1 3.43Å; M798-F934 VanDerWaalsContact CB-CD1 3.43Å; M798-F934 HydrophobicContact CB-CD2 3.86Å; M798-F934 HydrophobicContact CB-CE1 3.37Å; M798-F934 HydrophobicContact CB-CE2 3.8Å; M798-F934 HydrophobicContact CB-CG 3.67Å; M798-F934 HydrophobicContact CB-CZ 3.56Å; M798-F934 HydrophobicContact CE-CE2 4.05Å; M798-F934 HydrophobicContact CE-CZ 3.94Å; M798-F934 HydrophobicContact CG-CD1 4.32Å; M798-F934 HydrophobicContact CG-CE1 3.81Å; M798-F934 HydrophobicContact CG-CZ 3.92Å
799	N	95.5	Very high	91.1	Very high	28 Å²	28	27 Å²	27	15%	0.15	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-44.5	171.8	-171.3	112.3	0	0	0	111.1	A795 L801 E802 D803 F934 K935 V938	A795-N799 WeakPolarHBondContact O-CB 3.5Å; A795-N799 PolarHBondContact O-N 2.78Å; N799-L801 PolarHBondContact O-N 2.63Å; N799-E802 WeakPolarHBondContact O-CB 3.46Å; N799-E802 PolarHBondContact O-N 3.08Å; N799-D803 PolarHBondContact ND2-OD2 2.62Å; N799-D803 VanDerWaalsContact O-CG 3.27Å; N799-D803 PolarHBondContact O-N 3.42Å; N799-F934 HydrophobicContact CB-CB 3.86Å; N799-K935 WeakPolarHBondContact OD1-CA 3.48Å; N799-K935 VanDerWaalsContact OD1-CB 3.27Å; N799-K935 WeakPolarHBondContact OD1-CB 3.44Å; N799-K935 PolarHBondContact OD1-N 2.78Å; N799-V938 HydrophobicContact CB-CG2 4.45Å
800	Y	92.6	Very high	90.7	Very high	46 Å²	46	24.9 Å²	24.9	18%	0.18	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-35.2	176.4	169.3	-89.9	0	0	0	111.8	V742 T743 S744 V747 K796 G797 M798 D803 I804	V742-Y800 HydrophobicContact CG1-CE1 4.03Å; V742-Y800 HydrophobicContact CG2-CE1 4.45Å; T743-Y800 PolarHBondContact N-OH 3.37Å; T743-Y800 PolarHBondContact OG1-OH 2.9Å; T743-Y800 VanDerWaalsContact OG1-OH 3.14Å; S744-Y800 VanDerWaalsContact CB-CD1 3.47Å; S744-Y800 VanDerWaalsContact CB-CG 3.49Å; V747-Y800 HydrophobicContact CG2-CD1 4.39Å; K796-Y800 PolarHBondContact O-N 2.88Å; G797-Y800 WeakPolarHBondContact O-CB 3.4Å; G797-Y800 PolarHBondContact O-N 3.01Å; M798-Y800 VanDerWaalsContact C-N 3.3Å; M798-Y800 PolarHBondContact O-N 3.08Å; Y800-D803 PolarHBondContact O-N 2.95Å; Y800-I804 HydrophobicContact CE1-CD1 3.84Å; Y800-I804 HydrophobicContact CE1-CG1 4.25Å; Y800-I804 HydrophobicContact CE1-CG2 4.35Å; Y800-I804 HydrophobicContact CE2-CG2 4.18Å; Y800-I804 WeakPolarHBondContact O-CG1 3.29Å; Y800-I804 PolarHBondContact O-N 3.01Å; Y800-I804 VanDerWaalsContact O-N 3.1Å
801	L	88.8	Confident	90.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-73.1	-35.2	176	-59.7	176.4	0	0	0	112.6	V742 V747 G797 M798 N799 I804 R805 L806 F829	V742-L801 HydrophobicContact CG2-CD2 4.43Å; V747-L801 HydrophobicContact CG2-CG 4.47Å; G797-L801 WeakPolarHBondContact O-CG 3.46Å; G797-L801 PolarHBondContact O-N 3.24Å; M798-L801 HydrophobicContact CE-CD1 4.37Å; M798-L801 PolarHBondContact O-N 2.81Å; M798-L801 VanDerWaalsContact O-N 3.07Å; M798-L801 HydrophobicContact SD-CD1 3.9Å; N799-L801 PolarHBondContact O-N 2.63Å; L801-I804 HydrophobicContact CD2-CD1 4.14Å; L801-I804 HydrophobicContact CD2-CG1 4.38Å; L801-I804 CarbonylContact O-C 3.47Å; L801-I804 PolarHBondContact O-N 3.37Å; L801-R805 PolarHBondContact O-N 3.15Å; L801-R805 VanDerWaalsContact O-N 3.11Å; L801-L806 HydrophobicContact CB-CB 4.43Å; L801-L806 HydrophobicContact CD1-CD2 4.35Å; L801-L806 HydrophobicContact CD2-CB 4.34Å; L801-L806 HydrophobicContact CD2-CD1 4.07Å; L801-L806 HydrophobicContact CD2-CD2 4.11Å; L801-L806 HydrophobicContact CD2-CG 4.41Å; L801-L806 PolarHBondContact O-N 3.5Å; L801-F829 HydrophobicContact CD1-CD1 4.25Å; L801-F829 HydrophobicContact CD1-CE1 3.34Å; L801-F829 HydrophobicContact CD1-CZ 3.75Å
802	E	89.1	Confident	90.3	Very high	31 Å²	31	24.8 Å²	24.8	15%	0.145	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-46.3	167.1	-170.9	179.7	173.5	0	0	110.7	M798 N799 I804 R805 H866 K933 F934	M798-E802 PolarHBondContact O-N 2.89Å; N799-E802 WeakPolarHBondContact O-CB 3.46Å; N799-E802 PolarHBondContact O-N 3.08Å; E802-I804 VanDerWaalsContact C-N 3.31Å; E802-I804 PolarHBondContact O-N 3.11Å; E802-R805 PolarHBondContact O-N 3.5Å; E802-R805 VanDerWaalsContact O-N 3.13Å; E802-H866 HydrophobicContact CG-CB 4.13Å; E802-K933 IonicContact OE1-NZ 3.68Å; E802-K933 PolarHBondContact OE1-NZ 3.14Å; E802-F934 HydrophobicContact CB-CD2 4.47Å; E802-F934 PolarHBondContact OE2-N 2.96Å
803	D	88	Confident	90.1	Very high	116 Å²	116	24.4 Å²	24.4	62%	0.62	11%	0.112	S	C	*	.	H	α-helix	trans	-61.3	-34.6	178.4	-66.2	-42.4	0	0	0	112.9	N799 Y800	N799-D803 PolarHBondContact ND2-OD2 2.62Å; N799-D803 VanDerWaalsContact O-CG 3.27Å; N799-D803 PolarHBondContact O-N 3.42Å; Y800-D803 PolarHBondContact O-N 2.95Å
804	I	83.4	Confident	89.8	Confident	52 Å²	52	24.4 Å²	24.4	27%	0.267	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	11.7	176.6	71.4	158.6	0	0	0	114.4	V742 Y800 L801 E802 L806 L834	V742-I804 HydrophobicContact CG2-CD1 4.03Å; Y800-I804 HydrophobicContact CE1-CD1 3.84Å; Y800-I804 HydrophobicContact CE1-CG1 4.25Å; Y800-I804 HydrophobicContact CE1-CG2 4.35Å; Y800-I804 HydrophobicContact CE2-CG2 4.18Å; Y800-I804 WeakPolarHBondContact O-CG1 3.29Å; Y800-I804 PolarHBondContact O-N 3.01Å; Y800-I804 VanDerWaalsContact O-N 3.1Å; L801-I804 HydrophobicContact CD2-CD1 4.14Å; L801-I804 HydrophobicContact CD2-CG1 4.38Å; L801-I804 CarbonylContact O-C 3.47Å; L801-I804 PolarHBondContact O-N 3.37Å; E802-I804 VanDerWaalsContact C-N 3.31Å; E802-I804 PolarHBondContact O-N 3.11Å; I804-L806 VanDerWaalsContact C-N 3.3Å; I804-L806 HydrophobicContact CD1-CB 4.09Å; I804-L806 HydrophobicContact CD1-CD1 4.02Å; I804-L806 HydrophobicContact CG1-CB 3.96Å; I804-L806 PolarHBondContact O-N 3.45Å; I804-L834 VanDerWaalsContact O-CD1 3.3Å; I804-L834 WeakPolarHBondContact O-CD1 3.4Å
805	R	81	Confident	89.4	Confident	109 Å²	109	25 Å²	25	41%	0.411	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	33.1	179.4	-57.6	-172.8	175.8	-154.7	5.7	115.6	L801 E802 L834 L835 D836 I837	L801-R805 PolarHBondContact O-N 3.15Å; L801-R805 VanDerWaalsContact O-N 3.11Å; E802-R805 PolarHBondContact O-N 3.5Å; E802-R805 VanDerWaalsContact O-N 3.13Å; R805-L834 HydrophobicContact CB-CD1 4.45Å; R805-L835 HydrophobicContact CB-CB 4.45Å; R805-L835 PolarHBondContact O-N 3.19Å; R805-D836 PolarHBondContact NH1-O 3.43Å; R805-I837 VanDerWaalsContact NH1-C 3.34Å; R805-I837 PolarHBondContact NH1-O 2.88Å
806	L	81	Confident	89.2	Confident	3 Å²	3	25 Å²	25	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119	178.1	-171.7	164.3	0	0	0	110.1	V738 V742 L801 I804 F829 A832 H866	V738-L806 HydrophobicContact CG1-CD1 3.47Å; V738-L806 VanDerWaalsContact CG1-CD1 3.47Å; V738-L806 HydrophobicContact CG1-CG 4.39Å; V742-L806 HydrophobicContact CG2-CD1 4.26Å; L801-L806 HydrophobicContact CB-CB 4.43Å; L801-L806 HydrophobicContact CD1-CD2 4.35Å; L801-L806 HydrophobicContact CD2-CB 4.34Å; L801-L806 HydrophobicContact CD2-CD1 4.07Å; L801-L806 HydrophobicContact CD2-CD2 4.11Å; L801-L806 HydrophobicContact CD2-CG 4.41Å; L801-L806 PolarHBondContact O-N 3.5Å; I804-L806 VanDerWaalsContact C-N 3.3Å; I804-L806 HydrophobicContact CD1-CB 4.09Å; I804-L806 HydrophobicContact CD1-CD1 4.02Å; I804-L806 HydrophobicContact CG1-CB 3.96Å; I804-L806 PolarHBondContact O-N 3.45Å; L806-F829 HydrophobicContact CD2-CD1 4.28Å; L806-A832 HydrophobicContact CD2-CB 3.66Å; L806-A832 HydrophobicContact CG-CB 4.41Å; L806-H866 PolarHBondContact O-CE1 3.1Å
807	V	84	Confident	89	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.1	177	-170	0	0	0	0	109.6	R809 A832 R833 L835 F864 D869	V807-R809 HydrophobicContact CB-CG 4.29Å; V807-R809 HydrophobicContact CG1-CG 3.78Å; V807-A832 WeakPolarHBondContact O-CA 3.23Å; V807-A832 WeakPolarHBondContact O-CB 3.47Å; V807-R833 PolarHBondContact N-O 3.07Å; V807-R833 PolarHBondContact O-N 3.43Å; V807-L835 HydrophobicContact CG2-CD1 3.87Å; V807-L835 HydrophobicContact CG2-CG 4.07Å; V807-F864 HydrophobicContact CG1-CB 4.31Å; V807-D869 WeakPolarHBondContact CA-OD2 3.5Å; V807-D869 VanDerWaalsContact CG1-OD2 3.3Å; V807-D869 WeakPolarHBondContact CG1-OD2 2.81Å
808	H	86.4	Confident	88.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.			trans	-77.2	-41.9	-171.2	-178.2	-8	0	0	0	113.4	M798 D810 I826 T827 F829 D869	M798-H808 HydrophobicContact CE-CB 3.88Å; M798-H808 HydrophobicContact SD-CB 4.39Å; H808-D810 PolarHBondContact CE1-O 2.72Å; H808-D810 PolarHBondContact O-N 2.79Å; H808-I826 WeakPolarHBondContact NE2-CG2 3.03Å; H808-T827 PolarHBondContact CE1-O 3.35Å; H808-F829 HydrophobicContact CB-CD1 4.06Å; H808-F829 HydrophobicContact CB-CE1 4.09Å; H808-F829 AromaticContact CD2-CD1 3.87Å; H808-F829 AromaticContact CD2-CE1 3.39Å; H808-F829 WeakPolarHBondContact CD2-CE1 3.28Å; H808-F829 AromaticContact CE1-CD1 3.79Å; H808-F829 AromaticContact CE1-CE1 3.91Å; H808-F829 AromaticContact CG-CD1 3.54Å; H808-F829 AromaticContact CG-CE1 3.52Å; H808-F829 AromaticContact ND1-CD1 3.49Å; H808-F829 WeakPolarHBondContact ND1-CD1 3.34Å; H808-F829 AromaticContact ND1-CE1 3.84Å; H808-F829 AromaticContact NE2-CE1 3.67Å; H808-D869 PolarHBondContact N-OD1 2.91Å; H808-D869 PolarHBondContact N-OD2 2.79Å
809	R	83.9	Confident	88.3	Confident	22 Å²	22	23.8 Å²	23.8	8%	0.083	11%	0.109	C	C	.	.	S	Bend	trans	66.4	-5.8	173.7	-52.2	176.1	54.5	-140.7	-0.2	117.4	V807 L831 A844 F864 D869	V807-R809 HydrophobicContact CB-CG 4.29Å; V807-R809 HydrophobicContact CG1-CG 3.78Å; R809-L831 HydrophobicContact CB-CB 4.47Å; R809-L831 WeakPolarHBondContact CD-O 3.26Å; R809-L831 PolarHBondContact NH1-O 3.35Å; R809-A844 VanDerWaalsContact NH2-CB 3.32Å; R809-F864 HydrophobicContact CB-CD1 3.9Å; R809-F864 HydrophobicContact CB-CE1 4.15Å; R809-F864 HydrophobicContact CG-CB 3.97Å; R809-F864 HydrophobicContact CG-CD1 3.58Å; R809-F864 HydrophobicContact CG-CE1 4.29Å; R809-F864 HydrophobicContact CG-CG 3.9Å; R809-D869 PolarHBondContact N-OD1 2.8Å
810	D	84.8	Confident	87.7	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.027	12%	0.117	C	C	.	.			trans	-147.3	47.1	175.6	-161.3	-9.3	0	0	0	111.1	H808 A812 R814 N815 L831 P850 Y1252	H808-D810 PolarHBondContact CE1-O 2.72Å; H808-D810 PolarHBondContact O-N 2.79Å; D810-A812 PolarHBondContact O-N 3.37Å; D810-R814 IonicContact OD1-CZ 3.51Å; D810-R814 IonicContact OD1-NE 2.8Å; D810-R814 IonicContact OD1-NH2 3.36Å; D810-R814 PolarHBondContact OD1-NH2 2.81Å; D810-N815 PolarHBondContact O-ND2 2.86Å; D810-N815 PolarHBondContact OD1-ND2 2.7Å; D810-L831 HydrophobicContact CB-CD1 4.45Å; D810-P850 HydrophobicContact CB-CG 4.36Å; D810-Y1252 PolarHBondContact OD1-OH 2.88Å; D810-Y1252 PolarHBondContact OD2-OH 3.1Å
811	L	92	Very high	87.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.			trans	-77.6	115.6	176.2	179.3	63.8	0	0	0	110.4	I794 M798 I826 Y873 T876	I794-L811 HydrophobicContact CG2-CD1 4.16Å; M798-L811 HydrophobicContact CE-CD2 4.17Å; M798-L811 HydrophobicContact CG-CD2 3.77Å; M798-L811 HydrophobicContact SD-CD1 4.16Å; M798-L811 HydrophobicContact SD-CD2 3.83Å; L811-I826 HydrophobicContact CD1-CG2 4.03Å; L811-Y873 HydrophobicContact CD2-CD2 4.17Å; L811-Y873 HydrophobicContact CD2-CG 4.49Å; L811-T876 PolarHBondContact O-OG1 2.88Å
812	A	92.6	Very high	87.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-153.7	161.5	179.6	0	0	0	0	0	109.9	D810 R814 N815 W853 T876	D810-A812 PolarHBondContact O-N 3.37Å; A812-R814 HydrophobicContact CB-CG 3.64Å; A812-R814 PolarHBondContact O-N 2.9Å; A812-R814 VanDerWaalsContact O-N 3.07Å; A812-N815 PolarHBondContact O-N 3.47Å; A812-W853 HydrophobicContact CB-CD2 4.32Å; A812-W853 HydrophobicContact CB-CG 4.15Å; A812-T876 WeakPolarHBondContact CA-OG1 3.42Å
813	A	92.9	Very high	87.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21.7	179.6	0	0	0	0	0	113.4	L772 N815 T876 E879	L772-A813 HydrophobicContact CB-CB 3.93Å; L772-A813 HydrophobicContact CD1-CB 4.2Å; L772-A813 PolarHBondContact N-O 2.95Å; L772-A813 VanDerWaalsContact N-O 3.1Å; A813-N815 VanDerWaalsContact C-N 3.32Å; A813-T876 HydrophobicContact CB-CG2 4.45Å; A813-E879 HydrophobicContact CB-CB 3.9Å; A813-E879 HydrophobicContact CB-CG 4.45Å; A813-E879 WeakPolarHBondContact CB-OE2 3.43Å; A813-E879 PolarHBondContact N-OE2 2.72Å
814	R	89.7	Confident	87.3	Confident	20 Å²	20	22.9 Å²	22.9	8%	0.075	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-65.5	-30.8	170.8	53.9	162.6	179.3	-80.7	-12.5	113.9	L772 D810 A812 C1099	L772-R814 HydrophobicContact CD2-CB 4.11Å; D810-R814 IonicContact OD1-CZ 3.51Å; D810-R814 IonicContact OD1-NE 2.8Å; D810-R814 IonicContact OD1-NH2 3.36Å; D810-R814 PolarHBondContact OD1-NH2 2.81Å; A812-R814 HydrophobicContact CB-CG 3.64Å; A812-R814 PolarHBondContact O-N 2.9Å; A812-R814 VanDerWaalsContact O-N 3.07Å; R814-C1099 VanDerWaalsContact CA-SG 3.57Å; R814-C1099 HydrophobicContact CB-CB 4.32Å
815	N	90	Very high	87.7	Confident	15 Å²	15	20.6 Å²	20.6	8%	0.08	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-101.4	22	-173.6	-66.9	-11.2	0	0	0	111.7	D810 A812 A813 T827	D810-N815 PolarHBondContact O-ND2 2.86Å; D810-N815 PolarHBondContact OD1-ND2 2.7Å; A812-N815 PolarHBondContact O-N 3.47Å; A813-N815 VanDerWaalsContact C-N 3.32Å; N815-T827 WeakPolarHBondContact O-CG2 3.41Å; N815-T827 PolarHBondContact O-N 3.33Å
816	V	92.9	Very high	88.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.7	168.2	-178.4	0	0	0	0	108.1	C770 L771 I794 V824 I826	C770-V816 CarbonylContact C-O 3.51Å; C770-V816 VanDerWaalsContact CA-O 3.3Å; C770-V816 WeakPolarHBondContact CA-O 3.47Å; L771-V816 HydrophobicContact CB-CB 4.04Å; L771-V816 HydrophobicContact CB-CG1 4.11Å; L771-V816 HydrophobicContact CD2-CB 4.21Å; L771-V816 HydrophobicContact CD2-CG1 3.81Å; L771-V816 PolarHBondContact N-O 2.91Å; I794-V816 HydrophobicContact CD1-CG1 4.25Å; I794-V816 HydrophobicContact CD1-CG2 4.04Å; I794-V816 HydrophobicContact CG1-CG1 4.15Å; I794-V816 HydrophobicContact CG1-CG2 4.14Å; V816-V824 HydrophobicContact CG1-CB 3.82Å; V816-V824 HydrophobicContact CG1-CG2 4.18Å; V816-I826 HydrophobicContact CG2-CG1 4.45Å
817	L	91.2	Very high	88.4	Confident	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	152	179.2	-58.2	177.9	0	0	0	111.7	M766 G769 C770 V824 K825 T827 Y1098	M766-L817 HydrophobicContact CB-CB 3.94Å; M766-L817 HydrophobicContact CB-CD1 4.24Å; M766-L817 HydrophobicContact CG-CB 3.76Å; M766-L817 HydrophobicContact CG-CD1 3.74Å; M766-L817 HydrophobicContact CG-CG 4.4Å; G769-L817 WeakPolarHBondContact O-CA 3.3Å; C770-L817 HydrophobicContact CB-CD2 4.27Å; L817-V824 CarbonylContact O-C 3.59Å; L817-V824 VanDerWaalsContact O-CA 3.25Å; L817-V824 WeakPolarHBondContact O-CA 3.46Å; L817-K825 PolarHBondContact N-O 2.74Å; L817-K825 PolarHBondContact O-N 3.46Å; L817-T827 HydrophobicContact CD1-CG2 3.82Å; L817-T827 HydrophobicContact CD2-CG2 4.02Å; L817-T827 HydrophobicContact CG-CG2 3.55Å; L817-Y1098 HydrophobicContact CD1-CD1 4.38Å; L817-Y1098 HydrophobicContact CD1-CE1 3.81Å; L817-Y1098 HydrophobicContact CD2-CD1 3.71Å; L817-Y1098 HydrophobicContact CD2-CE1 3.88Å
818	V	90.2	Very high	87.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.2	-179.2	-175.6	0	0	0	0	109.3	Y768 G769 L771 Y774 N820 V824	Y768-V818 HydrophobicContact CG-CG1 4.22Å; Y768-V818 PolarHBondContact N-O 3.48Å; G769-V818 PolarHBondContact O-N 3.06Å; L771-V818 HydrophobicContact CB-CG2 4.09Å; L771-V818 HydrophobicContact CD1-CG2 3.86Å; Y774-V818 HydrophobicContact CD2-CG1 4.4Å; Y774-V818 HydrophobicContact CD2-CG2 4.48Å; Y774-V818 HydrophobicContact CE2-CG1 4.44Å; Y774-V818 HydrophobicContact CG-CG2 4.13Å; V818-N820 VanDerWaalsContact CG1-O 3.31Å; V818-N820 WeakPolarHBondContact CG1-O 3.44Å; V818-V824 HydrophobicContact CG2-CG1 4.17Å
819	K	84.4	Confident	86.4	Confident	42 Å²	42	18.6 Å²	18.6	18%	0.183	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-39.3	173.4	-168.8	174	-172.5	-178.4	0	110.4	M766 Y768 H823 D986 E988	M766-K819 HydrophobicContact SD-CB 3.73Å; M766-K819 HydrophobicContact SD-CD 4.32Å; M766-K819 HydrophobicContact SD-CG 3.89Å; Y768-K819 WeakPolarHBondContact CD2-O 3.42Å; K819-H823 HydrophobicContact CB-CB 4.49Å; K819-H823 PolarHBondContact N-O 2.04Å; K819-D986 WeakPolarHBondContact CE-OD2 3.27Å; K819-D986 IonicContact NZ-OD1 3.59Å; K819-D986 PolarHBondContact NZ-OD1 3.46Å; K819-D986 IonicContact NZ-OD2 2.62Å; K819-D986 PolarHBondContact NZ-OD2 2.92Å; K819-E988 IonicContact NZ-OE2 2.64Å; K819-E988 PolarHBondContact NZ-OE2 2.99Å
820	N	83.8	Confident	84.9	Confident	60 Å²	60	18.7 Å²	18.7	32%	0.321	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	170.1	169.5	64.3	70.4	0	0	0	108.4	Y768 V818 N822 H823	Y768-N820 HydrophobicContact CE2-CB 4.26Å; V818-N820 VanDerWaalsContact CG1-O 3.31Å; V818-N820 WeakPolarHBondContact CG1-O 3.44Å; N820-N822 PolarHBondContact O-N 2.83Å; N820-N822 WeakPolarHBondContact OD1-CA 3.25Å; N820-N822 PolarHBondContact OD1-N 2.9Å; N820-H823 PolarHBondContact N-O 2.97Å; N820-H823 WeakPolarHBondContact ND2-CB 3.41Å; N820-H823 CarbonylContact O-C 3.56Å; N820-H823 PolarHBondContact O-N 2.87Å; N820-H823 PolarHBondContact OD1-N 2.91Å
821	P	83.1	Confident	83.3	Confident	5 Å²	5	20.2 Å²	20.2	3%	0.032	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-26	-176.1	-28.4	36.1	0	0	0	115	Y774 W790 C963	Y774-P821 WeakPolarHBondContact OH-CG 3.35Å; W790-P821 PolarHBondContact NE1-O 2.84Å; P821-C963 HydrophobicContact CB-CB 4.13Å
822	N	84.3	Confident	81.4	Confident	90 Å²	90	20.7 Å²	20.7	48%	0.481	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.7	179.1	-61.8	-61	0	0	0	113.8	Q793 N820 C963	Q793-N822 PolarHBondContact NE2-O 2.82Å; N820-N822 PolarHBondContact O-N 2.83Å; N820-N822 WeakPolarHBondContact OD1-CA 3.25Å; N820-N822 PolarHBondContact OD1-N 2.9Å; N822-C963 VanDerWaalsContact OD1-CB 3.22Å; N822-C963 WeakPolarHBondContact OD1-CB 3.35Å
823	H	88.5	Confident	79.5	Confident	46 Å²	46	25.7 Å²	25.7	21%	0.213	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.1	-173.6	-160.9	117.7	0	0	0	113.2	P745 K819 N820	P745-H823 PolarHBondContact O-NE2 2.79Å; K819-H823 HydrophobicContact CB-CB 4.49Å; K819-H823 PolarHBondContact N-O 2.04Å; N820-H823 PolarHBondContact N-O 2.97Å; N820-H823 WeakPolarHBondContact ND2-CB 3.41Å; N820-H823 CarbonylContact O-C 3.56Å; N820-H823 PolarHBondContact O-N 2.87Å; N820-H823 PolarHBondContact OD1-N 2.91Å
824	V	93.9	Very high	77.2	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	153.1	175.1	-61.6	0	0	0	0	112.3	L771 W790 Q793 I794 V816 L817 V818	L771-V824 HydrophobicContact CD1-CG1 4.23Å; L771-V824 HydrophobicContact CD2-CG1 4.28Å; W790-V824 HydrophobicContact CB-CG2 4.29Å; W790-V824 HydrophobicContact CG-CG1 4.05Å; W790-V824 HydrophobicContact CG-CG2 4.47Å; Q793-V824 HydrophobicContact CB-CG2 3.72Å; I794-V824 HydrophobicContact CG1-CG2 4.28Å; V816-V824 HydrophobicContact CG1-CB 3.82Å; V816-V824 HydrophobicContact CG1-CG2 4.18Å; L817-V824 CarbonylContact O-C 3.59Å; L817-V824 VanDerWaalsContact O-CA 3.25Å; L817-V824 WeakPolarHBondContact O-CA 3.46Å; V818-V824 HydrophobicContact CG2-CG1 4.17Å
825	K	91.9	Very high	75.2	Confident	5 Å²	5	29.4 Å²	29.4	2%	0.022	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.8	176	-60.2	-167.9	-172.5	176.1	0	111.3	P745 Y746 M766 L817 E988	P745-K825 VanDerWaalsContact O-CE 3.29Å; P745-K825 WeakPolarHBondContact O-CE 3.39Å; P745-K825 WeakPolarHBondContact O-CG 3.37Å; Y746-K825 CarbonylContact O-C 3.58Å; Y746-K825 WeakPolarHBondContact O-CA 3.49Å; M766-K825 HydrophobicContact CE-CD 3.86Å; M766-K825 HydrophobicContact SD-CD 4.43Å; L817-K825 PolarHBondContact N-O 2.74Å; L817-K825 PolarHBondContact O-N 3.46Å; K825-E988 IonicContact NZ-OE1 3.62Å; K825-E988 PolarHBondContact NZ-OE1 3.14Å; K825-E988 IonicContact NZ-OE2 3.61Å; K825-E988 PolarHBondContact NZ-OE2 3.16Å
826	I	91.2	Very high	73	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	144.3	175.5	-47.4	175.2	0	0	0	109.5	Y746 C748 I794 M798 H808 L811 V816 F829	Y746-I826 PolarHBondContact O-N 2.98Å; C748-I826 VanDerWaalsContact CB-O 3.24Å; C748-I826 WeakPolarHBondContact CB-O 3.42Å; C748-I826 PolarHBondContact N-O 3.14Å; I794-I826 HydrophobicContact CG2-CD1 3.93Å; I794-I826 HydrophobicContact CG2-CG1 4.3Å; I794-I826 WeakPolarHBondContact O-CD1 3.3Å; M798-I826 HydrophobicContact CG-CD1 3.71Å; M798-I826 HydrophobicContact SD-CD1 3.65Å; H808-I826 WeakPolarHBondContact NE2-CG2 3.03Å; L811-I826 HydrophobicContact CD1-CG2 4.03Å; V816-I826 HydrophobicContact CG2-CG1 4.45Å; I826-F829 HydrophobicContact CB-CZ 3.77Å; I826-F829 HydrophobicContact CG2-CE1 3.86Å; I826-F829 HydrophobicContact CG2-CE2 4.34Å; I826-F829 HydrophobicContact CG2-CZ 3.43Å; I826-F829 VanDerWaalsContact CG2-CZ 3.43Å
827	T	84.6	Confident	70.8	Confident	22 Å²	22	39.6 Å²	39.6	14%	0.135	21%	0.206	C	C	.	.			trans	-143.7	-176.7	-175.5	-157.5	0	0	0	0	112.3	H808 N815 L817 F829	H808-T827 PolarHBondContact CE1-O 3.35Å; N815-T827 WeakPolarHBondContact O-CG2 3.41Å; N815-T827 PolarHBondContact O-N 3.33Å; L817-T827 HydrophobicContact CD1-CG2 3.82Å; L817-T827 HydrophobicContact CD2-CG2 4.02Å; L817-T827 HydrophobicContact CG-CG2 3.55Å; T827-F829 PolarHBondContact O-N 3.32Å
828	D	68.8	Low	68.4	Low	41 Å²	41	46.9 Å²	46.9	22%	0.219	25%	0.245	C	C	.	.			trans	49.2	50	176.9	-143.4	-14.6	0	0	0	115.7	K718 G830	K718-D828 IonicContact NZ-OD1 2.78Å; K718-D828 PolarHBondContact NZ-OD1 2.89Å; K718-D828 IonicContact NZ-OD2 2.72Å; K718-D828 PolarHBondContact NZ-OD2 3.02Å; D828-G830 PolarHBondContact O-N 3.14Å
829	F	60.4	Low	66.5	Low	7 Å²	7	51 Å²	51	3%	0.031	26%	0.264	C	S	.	.			trans	-66.5	26.4	165	-54.5	-77.2	0	0	0	113.5	M739 V747 L801 L806 H808 I826 T827 L831 A832	M739-F829 HydrophobicContact CE-CB 4.35Å; V747-F829 HydrophobicContact CG1-CD2 4.44Å; V747-F829 HydrophobicContact CG1-CE2 3.38Å; V747-F829 HydrophobicContact CG1-CZ 3.5Å; L801-F829 HydrophobicContact CD1-CD1 4.25Å; L801-F829 HydrophobicContact CD1-CE1 3.34Å; L801-F829 HydrophobicContact CD1-CZ 3.75Å; L806-F829 HydrophobicContact CD2-CD1 4.28Å; H808-F829 HydrophobicContact CB-CD1 4.06Å; H808-F829 HydrophobicContact CB-CE1 4.09Å; H808-F829 AromaticContact CD2-CD1 3.87Å; H808-F829 AromaticContact CD2-CE1 3.39Å; H808-F829 WeakPolarHBondContact CD2-CE1 3.28Å; H808-F829 AromaticContact CE1-CD1 3.79Å; H808-F829 AromaticContact CE1-CE1 3.91Å; H808-F829 AromaticContact CG-CD1 3.54Å; H808-F829 AromaticContact CG-CE1 3.52Å; H808-F829 AromaticContact ND1-CD1 3.49Å; H808-F829 WeakPolarHBondContact ND1-CD1 3.34Å; H808-F829 AromaticContact ND1-CE1 3.84Å; H808-F829 AromaticContact NE2-CE1 3.67Å; I826-F829 HydrophobicContact CB-CZ 3.77Å; I826-F829 HydrophobicContact CG2-CE1 3.86Å; I826-F829 HydrophobicContact CG2-CE2 4.34Å; I826-F829 HydrophobicContact CG2-CZ 3.43Å; I826-F829 VanDerWaalsContact CG2-CZ 3.43Å; T827-F829 PolarHBondContact O-N 3.32Å; F829-L831 PolarHBondContact O-N 2.92Å; F829-A832 HydrophobicContact CB-CB 3.71Å; F829-A832 HydrophobicContact CD1-CB 4.4Å; F829-A832 VanDerWaalsContact O-CB 3.25Å; F829-A832 WeakPolarHBondContact O-CB 3.47Å; F829-A832 PolarHBondContact O-N 2.72Å
830	G	52.6	Low	64.9	Low	25 Å²	25	54.4 Å²	54.4	26%	0.258	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	19.3	-176.9	0	0	0	0	0	115.6	D828	D828-G830 PolarHBondContact O-N 3.14Å
831	L	49.9	Very low	63.4	Low	37 Å²	37	54.9 Å²	54.9	19%	0.194	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	0.6	167.9	-71.1	178.1	0	0	0	111.1	F696 R809 D810 F829	F696-L831 HydrophobicContact CE1-CD1 4.36Å; F696-L831 HydrophobicContact CE1-CD2 3.96Å; F696-L831 HydrophobicContact CE1-CG 4.06Å; F696-L831 HydrophobicContact CZ-CD1 3.92Å; F696-L831 HydrophobicContact CZ-CD2 4.36Å; F696-L831 HydrophobicContact CZ-CG 4.03Å; R809-L831 HydrophobicContact CB-CB 4.47Å; R809-L831 WeakPolarHBondContact CD-O 3.26Å; R809-L831 PolarHBondContact NH1-O 3.35Å; D810-L831 HydrophobicContact CB-CD1 4.45Å; F829-L831 PolarHBondContact O-N 2.92Å
832	A	52.4	Low	61.9	Low	9 Å²	9	56.5 Å²	56.5	7%	0.074	30%	0.295	C	S	.	.			trans	-80.6	137.7	-168.6	0	0	0	0	0	111.5	L806 V807 F829	L806-A832 HydrophobicContact CD2-CB 3.66Å; L806-A832 HydrophobicContact CG-CB 4.41Å; V807-A832 WeakPolarHBondContact O-CA 3.23Å; V807-A832 WeakPolarHBondContact O-CB 3.47Å; F829-A832 HydrophobicContact CB-CB 3.71Å; F829-A832 HydrophobicContact CD1-CB 4.4Å; F829-A832 VanDerWaalsContact O-CB 3.25Å; F829-A832 WeakPolarHBondContact O-CB 3.47Å; F829-A832 PolarHBondContact O-N 2.72Å
833	R	53.4	Low	60.6	Low	105 Å²	105	57 Å²	57	40%	0.396	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.7	-178.1	-174.4	167.8	168.1	149.4	-5.7	110.2	V807 Y842	V807-R833 PolarHBondContact N-O 3.07Å; V807-R833 PolarHBondContact O-N 3.43Å; R833-Y842 HydrophobicContact CB-CD1 4.48Å; R833-Y842 VanDerWaalsContact CD-CE2 3.47Å; R833-Y842 VanDerWaalsContact CZ-CE2 3.45Å; R833-Y842 PolarHBondContact NH1-OH 3.26Å
834	L	43.7	Very low	59.1	Low	87 Å²	87	55.3 Å²	55.3	46%	0.455	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.8	170.5	-169.9	71.1	0	0	0	108.8	V738 I804 R805	V738-L834 HydrophobicContact CG2-CB 4.5Å; V738-L834 HydrophobicContact CG2-CD2 4.49Å; I804-L834 VanDerWaalsContact O-CD1 3.3Å; I804-L834 WeakPolarHBondContact O-CD1 3.4Å; R805-L834 HydrophobicContact CB-CD1 4.45Å
835	L	48.2	Very low	56.8	Low	12 Å²	12	63.1 Å²	63.1	6%	0.063	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-79.2	134.3	170.7	-65	172	0	0	0	109.8	R805 V807	R805-L835 HydrophobicContact CB-CB 4.45Å; R805-L835 PolarHBondContact O-N 3.19Å; V807-L835 HydrophobicContact CG2-CD1 3.87Å; V807-L835 HydrophobicContact CG2-CG 4.07Å
836	D	43.4	Very low	54.9	Low	105 Å²	105	64.9 Å²	64.9	56%	0.561	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-64.6	164.8	175.9	-100.4	-48.5	0	0	0	111.8	R805 D838 E839	R805-D836 PolarHBondContact NH1-O 3.43Å; D836-D838 PolarHBondContact O-N 3.13Å; D836-D838 VanDerWaalsContact O-N 3.14Å; D836-E839 HydrophobicContact CB-CB 4.27Å; D836-E839 HydrophobicContact CB-CG 4.02Å; D836-E839 PolarHBondContact O-N 2.78Å; D836-E839 VanDerWaalsContact O-N 3.09Å
837	I	46.2	Very low	53.2	Low	123 Å²	123	67.4 Å²	67.4	63%	0.631	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.9	-169.2	-64.3	176.9	0	0	0	112.5	R805	R805-I837 VanDerWaalsContact NH1-C 3.34Å; R805-I837 PolarHBondContact NH1-O 2.88Å
838	D	40.3	Very low	52	Low	161 Å²	161	71.4 Å²	71.4	86%	0.861	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.8	-179.2	-58.7	-43.8	0	0	0	113.4	D836	D836-D838 PolarHBondContact O-N 3.13Å; D836-D838 VanDerWaalsContact O-N 3.14Å
839	E	50.5	Low	52.2	Low	87 Å²	87	69.9 Å²	69.9	41%	0.407	38%	0.383	S	S	.	.			trans	-98.8	140	-179.5	-65.5	-168.9	156.9	0	0	112.2	D836	D836-E839 HydrophobicContact CB-CB 4.27Å; D836-E839 HydrophobicContact CB-CG 4.02Å; D836-E839 PolarHBondContact O-N 2.78Å; D836-E839 VanDerWaalsContact O-N 3.09Å
840	T	51.6	Low	53.3	Low	112 Å²	112	69.6 Å²	69.6	69%	0.687	38%	0.382	S	S	*	.	S	Bend	trans	-117.7	-4.5	176.8	56.3	0	0	0	0	113.4
841	E	51.6	Low	54.9	Low	70 Å²	70	68.7 Å²	68.7	33%	0.327	37%	0.371	S	S	.	.			trans	-147.8	145.4	-175.9	63.5	-170.2	145.3	0	0	110.9	H843 K863 T865	E841-H843 IonicContact OE2-NE2 2.78Å; E841-K863 HydrophobicContact CB-CG 4.27Å; E841-K863 WeakPolarHBondContact OE2-CD 3.42Å; E841-K863 WeakPolarHBondContact OE2-CE 3.3Å; E841-K863 IonicContact OE2-NZ 3.59Å; E841-K863 PolarHBondContact OE2-NZ 2.84Å; E841-T865 HydrophobicContact CB-CG2 4.07Å
842	Y	53.3	Low	56.9	Low	39 Å²	39	67.4 Å²	67.4	15%	0.153	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.2	175	173.6	-119.7	0	0	0	111.5	R833 A844 F864	R833-Y842 HydrophobicContact CB-CD1 4.48Å; R833-Y842 VanDerWaalsContact CD-CE2 3.47Å; R833-Y842 VanDerWaalsContact CZ-CE2 3.45Å; R833-Y842 PolarHBondContact NH1-OH 3.26Å; Y842-A844 HydrophobicContact CE1-CB 3.72Å; Y842-F864 HydrophobicContact CD1-CD2 4.32Å; Y842-F864 PolarHBondContact N-O 3.47Å; Y842-F864 PolarHBondContact O-N 3.04Å
843	H	56.8	Low	58.8	Low	102 Å²	102	67.1 Å²	67.1	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.6	171.6	-65.8	-83	0	0	0	110.7	E841 H861 R862	E841-H843 IonicContact OE2-NE2 2.78Å; H843-H861 PolarHBondContact ND1-O 2.89Å; H843-R862 WeakPolarHBondContact CA-O 3.21Å
844	A	56.5	Low	60.6	Low	9 Å²	9	62.4 Å²	62.4	7%	0.074	34%	0.344	C	S	.	.			trans	-102	136	-175.5	0	0	0	0	0	113.4	R809 Y842 R862 F864	R809-A844 VanDerWaalsContact NH2-CB 3.32Å; Y842-A844 HydrophobicContact CE1-CB 3.72Å; A844-R862 WeakPolarHBondContact O-CD 3.45Å; A844-R862 PolarHBondContact O-NH1 2.99Å; A844-F864 HydrophobicContact CB-CD2 4.36Å; A844-F864 HydrophobicContact CB-CE2 3.91Å
845	D	45.9	Very low	63	Low	166 Å²	166	58.3 Å²	58.3	89%	0.888	32%	0.322	S	S	*	.			trans	-84.4	125.6	172.9	-70.9	-40.1	0	0	0	112.1
846	G	52.3	Low	65	Low	42 Å²	42	58.3 Å²	58.3	43%	0.433	32%	0.322	S	S	.	.	S	Bend	trans	61.5	-155.6	171.7	0	0	0	0	0	115.7	R862	G846-R862 VanDerWaalsContact C-NH2 3.28Å; G846-R862 VanDerWaalsContact O-CZ 3.29Å; G846-R862 PolarHBondContact O-NH1 3.27Å; G846-R862 PolarHBondContact O-NH2 2.79Å
847	G	55.2	Low	67.2	Low	55 Å²	55	54.2 Å²	54.2	57%	0.567	30%	0.3	S	S	*	.			trans	84.5	172.1	173.3	0	0	0	0	0	117.1
848	K	58.5	Low	69.3	Low	106 Å²	106	48.5 Å²	48.5	46%	0.461	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.3	175.3	-79	-172.2	170.7	-167.8	0	110.7	Y1252 L1253	K848-Y1252 HydrophobicContact CB-CD1 4.5Å; K848-Y1252 WeakPolarHBondContact CD-O 3.25Å; K848-L1253 VanDerWaalsContact CA-O 3.31Å; K848-L1253 WeakPolarHBondContact CA-O 2.93Å
849	V	72.9	Confident	71.5	Confident	8 Å²	8	41.4 Å²	41.4	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.8	-170.5	-63.8	0	0	0	0	114.7	I851 M854 Y1252 L1253 L1255	V849-I851 HydrophobicContact CG2-CG1 4.04Å; V849-I851 PolarHBondContact O-N 2.97Å; V849-M854 HydrophobicContact CB-CE 4.19Å; V849-M854 HydrophobicContact CB-SD 3.66Å; V849-M854 HydrophobicContact CG2-CE 4.13Å; V849-M854 HydrophobicContact CG2-SD 3.81Å; V849-Y1252 WeakPolarHBondContact O-CA 3.41Å; V849-L1253 PolarHBondContact N-O 3.13Å; V849-L1255 HydrophobicContact CG2-CD1 3.8Å; V849-L1255 HydrophobicContact CG2-CG 4.38Å
850	P	83.4	Confident	73.1	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.013	23%	0.231	C	C	.	.			trans	-83.7	63.3	-169.3	35.4	-38.6	0	0	0	113.8	D810 K852 W853 M854 Y1252	D810-P850 HydrophobicContact CB-CG 4.36Å; P850-K852 VanDerWaalsContact C-N 3.27Å; P850-K852 PolarHBondContact O-N 3.03Å; P850-W853 HydrophobicContact CB-CE3 4.44Å; P850-W853 PolarHBondContact O-N 2.99Å; P850-M854 HydrophobicContact CG-CG 4.21Å; P850-M854 HydrophobicContact CG-SD 4.32Å; P850-Y1252 HydrophobicContact CB-CD1 4.37Å; P850-Y1252 HydrophobicContact CB-CE1 3.76Å; P850-Y1252 HydrophobicContact CB-CE2 4.42Å; P850-Y1252 HydrophobicContact CG-CE1 4.25Å
851	I	86.8	Confident	74.5	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.031	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-48.8	-38.7	-163.4	-68.2	168.1	0	0	0	115.1	V849 W853 M854 I859 A893 I896 L1253	V849-I851 HydrophobicContact CG2-CG1 4.04Å; V849-I851 PolarHBondContact O-N 2.97Å; I851-W853 PolarHBondContact O-N 2.77Å; I851-W853 VanDerWaalsContact O-N 3.1Å; I851-M854 HydrophobicContact CG1-SD 4.27Å; I851-M854 PolarHBondContact O-N 2.72Å; I851-M854 VanDerWaalsContact O-N 3.08Å; I851-I859 HydrophobicContact CG2-CD1 3.96Å; I851-I859 HydrophobicContact CG2-CG1 4.25Å; I851-I859 HydrophobicContact CG2-CG2 4.39Å; I851-A893 HydrophobicContact CB-CB 4.5Å; I851-A893 WeakPolarHBondContact CG2-O 3.43Å; I851-I896 HydrophobicContact CG2-CB 4.05Å; I851-I896 HydrophobicContact CG2-CG1 4.37Å; I851-I896 HydrophobicContact CG2-CG2 4.25Å; I851-L1253 HydrophobicContact CD1-CB 3.86Å; I851-L1253 HydrophobicContact CD1-CD1 3.86Å; I851-L1253 HydrophobicContact CD1-CG 4.17Å
852	K	91.6	Very high	75.8	Confident	10 Å²	10	40 Å²	40	4%	0.043	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.8	-12.6	-177.5	-63.2	-161	175.6	-164.7	0	115.1	P850 P887 Y888 I891 I896	P850-K852 VanDerWaalsContact C-N 3.27Å; P850-K852 PolarHBondContact O-N 3.03Å; K852-P887 VanDerWaalsContact CD-O 3.3Å; K852-P887 WeakPolarHBondContact CD-O 3.49Å; K852-Y888 HydrophobicContact CB-CD2 4.47Å; K852-Y888 PolarHBondContact NZ-O 2.87Å; K852-I891 WeakPolarHBondContact CE-O 3.35Å; K852-I891 PolarHBondContact NZ-O 3.16Å; K852-I896 HydrophobicContact CG-CD1 4.49Å; K852-I896 HydrophobicContact CG-CG1 4.35Å
853	W	93.1	Very high	77.2	Confident	3 Å²	3	41 Å²	41	1%	0.011	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-105.7	-13.8	174	-71.1	-102.2	0	0	0	113.4	A812 P850 I851 S872 V875 E879 P887 E1251	A812-W853 HydrophobicContact CB-CD2 4.32Å; A812-W853 HydrophobicContact CB-CG 4.15Å; P850-W853 HydrophobicContact CB-CE3 4.44Å; P850-W853 PolarHBondContact O-N 2.99Å; I851-W853 PolarHBondContact O-N 2.77Å; I851-W853 VanDerWaalsContact O-N 3.1Å; W853-S872 WeakPolarHBondContact O-CA 3.37Å; W853-S872 PolarHBondContact O-OG 2.78Å; W853-V875 VanDerWaalsContact CD1-CG1 3.47Å; W853-V875 HydrophobicContact CG-CG1 4.03Å; W853-E879 VanDerWaalsContact NE1-CD 3.34Å; W853-E879 PolarHBondContact NE1-OE2 2.98Å; W853-P887 HydrophobicContact CZ2-CG 3.84Å; W853-E1251 VanDerWaalsContact CH2-OE2 3.26Å; W853-E1251 WeakPolarHBondContact CH2-OE2 3.41Å; W853-E1251 WeakPolarHBondContact CZ3-OE2 3.46Å
854	M	91.3	Very high	78.5	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.03	20%	0.202	C	C	.	.	S	Bend	trans	-80.9	151.3	-169.4	-69.1	171	61.9	0	0	113.4	V849 P850 I851 S858 I859 F864 W871	V849-M854 HydrophobicContact CB-CE 4.19Å; V849-M854 HydrophobicContact CB-SD 3.66Å; V849-M854 HydrophobicContact CG2-CE 4.13Å; V849-M854 HydrophobicContact CG2-SD 3.81Å; P850-M854 HydrophobicContact CG-CG 4.21Å; P850-M854 HydrophobicContact CG-SD 4.32Å; I851-M854 HydrophobicContact CG1-SD 4.27Å; I851-M854 PolarHBondContact O-N 2.72Å; I851-M854 VanDerWaalsContact O-N 3.08Å; M854-S858 VanDerWaalsContact CE-O 3.24Å; M854-S858 WeakPolarHBondContact CE-O 3.34Å; M854-I859 HydrophobicContact CB-CD1 4.07Å; M854-I859 HydrophobicContact CB-CG1 3.64Å; M854-I859 HydrophobicContact CE-CG1 4.07Å; M854-I859 HydrophobicContact SD-CG1 4.46Å; M854-F864 HydrophobicContact CE-CE1 4.04Å; M854-F864 HydrophobicContact CE-CZ 4.02Å; M854-W871 PolarHBondContact O-NE1 3.39Å
855	A	93.3	Very high	80.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.			trans	-72	152.7	168.7	0	0	0	0	0	111.8	E857 S858 I859 W871	A855-E857 VanDerWaalsContact C-N 3.34Å; A855-E857 WeakPolarHBondContact CB-OE1 3.43Å; A855-E857 WeakPolarHBondContact CB-OE2 3.48Å; A855-E857 PolarHBondContact O-N 3.21Å; A855-S858 WeakPolarHBondContact O-CA 3.47Å; A855-S858 WeakPolarHBondContact O-CB 3.25Å; A855-S858 PolarHBondContact O-N 3.42Å; A855-I859 WeakPolarHBondContact O-CG1 3.25Å; A855-I859 PolarHBondContact O-N 3.41Å; A855-I859 VanDerWaalsContact O-N 3.09Å; A855-W871 HydrophobicContact CB-CB 3.74Å; A855-W871 HydrophobicContact CB-CD2 3.92Å; A855-W871 HydrophobicContact CB-CE3 4.2Å; A855-W871 HydrophobicContact CB-CG 3.71Å
856	L	90.8	Very high	82.3	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-41.6	-174.8	-175.2	64.3	0	0	0	112.7	S858 I859 L860 P897 L900 E901 I926	L856-S858 PolarHBondContact O-N 3.05Å; L856-I859 PolarHBondContact O-N 3.3Å; L856-I859 VanDerWaalsContact O-N 3.14Å; L856-L860 HydrophobicContact CD1-CD1 3.77Å; L856-L860 HydrophobicContact CD1-CG 3.88Å; L856-L860 HydrophobicContact CD2-CD1 4.26Å; L856-L860 HydrophobicContact CG-CD1 3.73Å; L856-L860 HydrophobicContact CG-CG 4.18Å; L856-L860 WeakPolarHBondContact O-CG 3.34Å; L856-L860 PolarHBondContact O-N 3.31Å; L856-P897 HydrophobicContact CD1-CB 4.33Å; L856-L900 HydrophobicContact CD1-CB 4.2Å; L856-E901 HydrophobicContact CD1-CG 4.26Å; L856-E901 HydrophobicContact CD2-CG 3.72Å; L856-I926 HydrophobicContact CD2-CD1 3.79Å
857	E	89.8	Confident	84.3	Confident	19 Å²	19	29.1 Å²	29.1	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-28.7	176.5	72.7	-77.1	-174.7	0	0	113	A855 H861 R862 K863 P928 R931	A855-E857 VanDerWaalsContact C-N 3.34Å; A855-E857 WeakPolarHBondContact CB-OE1 3.43Å; A855-E857 WeakPolarHBondContact CB-OE2 3.48Å; A855-E857 PolarHBondContact O-N 3.21Å; E857-H861 WeakPolarHBondContact O-CA 3.33Å; E857-H861 WeakPolarHBondContact O-CB 3.2Å; E857-H861 PolarHBondContact O-N 3.22Å; E857-R862 PolarHBondContact O-N 3.37Å; E857-K863 HydrophobicContact CG-CB 4.46Å; E857-K863 HydrophobicContact CG-CD 4.43Å; E857-K863 HydrophobicContact CG-CG 4.36Å; E857-K863 PolarHBondContact O-N 3.17Å; E857-P928 HydrophobicContact CG-CG 4.37Å; E857-R931 IonicContact OE1-CZ 2.75Å; E857-R931 IonicContact OE1-NH1 3.55Å; E857-R931 PolarHBondContact OE1-NH1 3.43Å; E857-R931 IonicContact OE1-NH2 2.62Å; E857-R931 PolarHBondContact OE1-NH2 3.26Å; E857-R931 IonicContact OE2-CZ 2.72Å; E857-R931 IonicContact OE2-NH1 3.94Å; E857-R931 IonicContact OE2-NH2 3.48Å; E857-R931 PolarHBondContact OE2-NH2 3.13Å
858	S	90.1	Very high	86.1	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-76.8	-28.6	175.2	-50.5	0	0	0	0	112.4	M854 A855 L856 R862 K863 S868	M854-S858 VanDerWaalsContact CE-O 3.24Å; M854-S858 WeakPolarHBondContact CE-O 3.34Å; A855-S858 WeakPolarHBondContact O-CA 3.47Å; A855-S858 WeakPolarHBondContact O-CB 3.25Å; A855-S858 PolarHBondContact O-N 3.42Å; L856-S858 PolarHBondContact O-N 3.05Å; S858-R862 WeakPolarHBondContact O-CA 3.08Å; S858-R862 PolarHBondContact O-N 2.89Å; S858-K863 WeakPolarHBondContact CA-O 3.36Å; S858-K863 VanDerWaalsContact CB-O 3.31Å; S858-K863 WeakPolarHBondContact CB-O 3.05Å; S858-K863 PolarHBondContact OG-O 2.83Å; S858-S868 WeakPolarHBondContact OG-CB 3.22Å
859	I	87.4	Confident	87.8	Confident	12 Å²	12	21.6 Å²	21.6	6%	0.062	10%	0.102	C	C	.	.	H	α-helix	trans	-79.6	-49.9	176.1	-56.3	160.2	0	0	0	110.4	I851 M854 A855 L856 I896 P897 L900	I851-I859 HydrophobicContact CG2-CD1 3.96Å; I851-I859 HydrophobicContact CG2-CG1 4.25Å; I851-I859 HydrophobicContact CG2-CG2 4.39Å; M854-I859 HydrophobicContact CB-CD1 4.07Å; M854-I859 HydrophobicContact CB-CG1 3.64Å; M854-I859 HydrophobicContact CE-CG1 4.07Å; M854-I859 HydrophobicContact SD-CG1 4.46Å; A855-I859 WeakPolarHBondContact O-CG1 3.25Å; A855-I859 PolarHBondContact O-N 3.41Å; A855-I859 VanDerWaalsContact O-N 3.09Å; L856-I859 PolarHBondContact O-N 3.3Å; L856-I859 VanDerWaalsContact O-N 3.14Å; I859-I896 HydrophobicContact CD1-CG2 4.44Å; I859-P897 HydrophobicContact CG2-CG 3.91Å; I859-L900 HydrophobicContact CD1-CD1 4.3Å
860	L	83	Confident	89	Confident	72 Å²	72	21.2 Å²	21.2	38%	0.377	10%	0.1	S	C	.	.	H	α-helix	trans	-77.3	-37	-174.7	-63.6	179.2	0	0	0	114	L856 P897 E901	L856-L860 HydrophobicContact CD1-CD1 3.77Å; L856-L860 HydrophobicContact CD1-CG 3.88Å; L856-L860 HydrophobicContact CD2-CD1 4.26Å; L856-L860 HydrophobicContact CG-CD1 3.73Å; L856-L860 HydrophobicContact CG-CG 4.18Å; L856-L860 WeakPolarHBondContact O-CG 3.34Å; L856-L860 PolarHBondContact O-N 3.31Å; L860-P897 HydrophobicContact CD2-CB 4.13Å; L860-E901 WeakPolarHBondContact CD1-OE1 3.31Å
861	H	80.9	Confident	89.7	Confident	124 Å²	124	21.2 Å²	21.2	57%	0.574	10%	0.1	S	C	*	.	S	Bend	trans	-122	6	-169.7	-51.5	-36	0	0	0	113.2	H843 E857 K863	H843-H861 PolarHBondContact ND1-O 2.89Å; E857-H861 WeakPolarHBondContact O-CA 3.33Å; E857-H861 WeakPolarHBondContact O-CB 3.2Å; E857-H861 PolarHBondContact O-N 3.22Å; H861-K863 HydrophobicContact CB-CB 4.42Å; H861-K863 PolarHBondContact O-N 3.25Å
862	R	78.8	Confident	90.1	Very high	44 Å²	44	21.2 Å²	21.2	17%	0.166	10%	0.1	C	C	.	.			trans	52.8	24.6	-176	-66.9	165.6	151.4	-81.4	-1.7	112.9	H843 A844 G846 E857 S858 F864 L1255	H843-R862 WeakPolarHBondContact CA-O 3.21Å; A844-R862 WeakPolarHBondContact O-CD 3.45Å; A844-R862 PolarHBondContact O-NH1 2.99Å; G846-R862 VanDerWaalsContact C-NH2 3.28Å; G846-R862 VanDerWaalsContact O-CZ 3.29Å; G846-R862 PolarHBondContact O-NH1 3.27Å; G846-R862 PolarHBondContact O-NH2 2.79Å; E857-R862 PolarHBondContact O-N 3.37Å; S858-R862 WeakPolarHBondContact O-CA 3.08Å; S858-R862 PolarHBondContact O-N 2.89Å; R862-F864 WeakPolarHBondContact O-CD2 3.31Å; R862-F864 VanDerWaalsContact O-CE2 3.26Å; R862-F864 WeakPolarHBondContact O-CE2 3.41Å; R862-L1255 PolarHBondContact NH2-O 3.01Å
863	K	82.6	Confident	90.4	Very high	61 Å²	61	20.8 Å²	20.8	27%	0.265	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118	-178.1	172	170.2	176.8	152.1	0	110.2	E841 E857 S858 H861 T865	E841-K863 HydrophobicContact CB-CG 4.27Å; E841-K863 WeakPolarHBondContact OE2-CD 3.42Å; E841-K863 WeakPolarHBondContact OE2-CE 3.3Å; E841-K863 IonicContact OE2-NZ 3.59Å; E841-K863 PolarHBondContact OE2-NZ 2.84Å; E857-K863 HydrophobicContact CG-CB 4.46Å; E857-K863 HydrophobicContact CG-CD 4.43Å; E857-K863 HydrophobicContact CG-CG 4.36Å; E857-K863 PolarHBondContact O-N 3.17Å; S858-K863 WeakPolarHBondContact CA-O 3.36Å; S858-K863 VanDerWaalsContact CB-O 3.31Å; S858-K863 WeakPolarHBondContact CB-O 3.05Å; S858-K863 PolarHBondContact OG-O 2.83Å; H861-K863 HydrophobicContact CB-CB 4.42Å; H861-K863 PolarHBondContact O-N 3.25Å; K863-T865 HydrophobicContact CG-CG2 4.13Å
864	F	85.1	Confident	90.6	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.026	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	177.7	-62.5	-86.1	0	0	0	110.5	V807 R809 Y842 A844 M854 R862	V807-F864 HydrophobicContact CG1-CB 4.31Å; R809-F864 HydrophobicContact CB-CD1 3.9Å; R809-F864 HydrophobicContact CB-CE1 4.15Å; R809-F864 HydrophobicContact CG-CB 3.97Å; R809-F864 HydrophobicContact CG-CD1 3.58Å; R809-F864 HydrophobicContact CG-CE1 4.29Å; R809-F864 HydrophobicContact CG-CG 3.9Å; Y842-F864 HydrophobicContact CD1-CD2 4.32Å; Y842-F864 PolarHBondContact N-O 3.47Å; Y842-F864 PolarHBondContact O-N 3.04Å; A844-F864 HydrophobicContact CB-CD2 4.36Å; A844-F864 HydrophobicContact CB-CE2 3.91Å; M854-F864 HydrophobicContact CE-CE1 4.04Å; M854-F864 HydrophobicContact CE-CZ 4.02Å; R862-F864 WeakPolarHBondContact O-CD2 3.31Å; R862-F864 VanDerWaalsContact O-CE2 3.26Å; R862-F864 WeakPolarHBondContact O-CE2 3.41Å
865	T	89.8	Confident	90.9	Very high	14 Å²	14	20.4 Å²	20.4	9%	0.086	10%	0.097	C	C	.	.			trans	-148.7	166.8	-178.1	67.9	0	0	0	0	110.2	E841 K863 Q867 S868 D869	E841-T865 HydrophobicContact CB-CG2 4.07Å; K863-T865 HydrophobicContact CG-CG2 4.13Å; T865-Q867 PolarHBondContact O-N 3.32Å; T865-Q867 PolarHBondContact OG1-N 2.87Å; T865-S868 PolarHBondContact N-OG 3.31Å; T865-S868 WeakPolarHBondContact O-CB 3.47Å; T865-S868 PolarHBondContact O-N 3.02Å; T865-S868 PolarHBondContact O-OG 2.97Å; T865-S868 PolarHBondContact OG1-N 3.5Å; T865-S868 VanDerWaalsContact OG1-N 3.16Å; T865-D869 PolarHBondContact O-N 3.33Å
866	H	90.9	Very high	91.1	Very high	27 Å²	27	20.4 Å²	20.4	13%	0.125	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-31.8	170.6	-57.8	-60.9	0	0	0	112.7	E802 L806 S868 D869 V870	E802-H866 HydrophobicContact CG-CB 4.13Å; L806-H866 PolarHBondContact O-CE1 3.1Å; H866-S868 VanDerWaalsContact C-N 3.29Å; H866-S868 PolarHBondContact O-N 3.26Å; H866-D869 WeakPolarHBondContact O-CB 3.49Å; H866-D869 PolarHBondContact O-N 3.4Å; H866-D869 VanDerWaalsContact O-N 3.16Å; H866-V870 WeakPolarHBondContact O-CG2 3.26Å; H866-V870 PolarHBondContact O-N 3.21Å
867	Q	95.3	Very high	91.4	Very high	22 Å²	22	20.1 Å²	20.1	10%	0.103	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-23.7	175.2	-56.6	-59.1	92.6	0	0	112.8	T865 W871 P928 R931	T865-Q867 PolarHBondContact O-N 3.32Å; T865-Q867 PolarHBondContact OG1-N 2.87Å; Q867-W871 PolarHBondContact O-N 3.39Å; Q867-P928 HydrophobicContact CB-CB 3.8Å; Q867-P928 HydrophobicContact CG-CB 4.3Å; Q867-P928 WeakPolarHBondContact CG-O 3.18Å; Q867-P928 PolarHBondContact NE2-O 3.19Å; Q867-R931 PolarHBondContact NE2-O 2.76Å; Q867-R931 WeakPolarHBondContact O-CD 3.47Å; Q867-R931 PolarHBondContact O-NH1 3.21Å
868	S	93.4	Very high	91.8	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-77.3	-30.3	169.8	70.6	0	0	0	0	112.7	S858 T865 H866 W871 S872	S858-S868 WeakPolarHBondContact OG-CB 3.22Å; T865-S868 PolarHBondContact N-OG 3.31Å; T865-S868 WeakPolarHBondContact O-CB 3.47Å; T865-S868 PolarHBondContact O-N 3.02Å; T865-S868 PolarHBondContact O-OG 2.97Å; T865-S868 PolarHBondContact OG1-N 3.5Å; T865-S868 VanDerWaalsContact OG1-N 3.16Å; H866-S868 VanDerWaalsContact C-N 3.29Å; H866-S868 PolarHBondContact O-N 3.26Å; S868-W871 PolarHBondContact O-N 3.01Å; S868-S872 PolarHBondContact O-N 2.89Å; S868-S872 PolarHBondContact O-OG 3.49Å
869	D	94.4	Very high	92.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69	-34.7	168.2	-74.6	-27.1	0	0	0	111.2	M798 V807 H808 R809 T865 H866 W871 S872 Y873 F934	M798-D869 HydrophobicContact CE-CB 3.72Å; V807-D869 WeakPolarHBondContact CA-OD2 3.5Å; V807-D869 VanDerWaalsContact CG1-OD2 3.3Å; V807-D869 WeakPolarHBondContact CG1-OD2 2.81Å; H808-D869 PolarHBondContact N-OD1 2.91Å; H808-D869 PolarHBondContact N-OD2 2.79Å; R809-D869 PolarHBondContact N-OD1 2.8Å; T865-D869 PolarHBondContact O-N 3.33Å; H866-D869 WeakPolarHBondContact O-CB 3.49Å; H866-D869 PolarHBondContact O-N 3.4Å; H866-D869 VanDerWaalsContact O-N 3.16Å; D869-W871 VanDerWaalsContact C-N 3.33Å; D869-W871 PolarHBondContact O-N 3.16Å; D869-S872 CarbonylContact O-C 3.48Å; D869-S872 WeakPolarHBondContact O-CB 3.49Å; D869-S872 PolarHBondContact O-N 3.19Å; D869-Y873 WeakPolarHBondContact O-CB 3.39Å; D869-Y873 PolarHBondContact O-N 3.29Å; D869-F934 HydrophobicContact CB-CE2 4.01Å; D869-F934 HydrophobicContact CB-CZ 4.02Å
870	V	97.6	Very high	92.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-40.5	173.8	167	0	0	0	0	111.7	H866 Y873 G874 C923 R931 P932 F934 L937	H866-V870 WeakPolarHBondContact O-CG2 3.26Å; H866-V870 PolarHBondContact O-N 3.21Å; V870-Y873 WeakPolarHBondContact O-CB 3.19Å; V870-Y873 PolarHBondContact O-N 3.35Å; V870-G874 PolarHBondContact O-N 2.88Å; V870-C923 HydrophobicContact CG1-CB 4.06Å; V870-C923 WeakPolarHBondContact O-CB 3.39Å; V870-R931 HydrophobicContact CG1-CB 4.02Å; V870-P932 HydrophobicContact CG1-CG 4.47Å; V870-P932 WeakPolarHBondContact CG1-O 3.34Å; V870-P932 WeakPolarHBondContact CG2-O 3.11Å; V870-F934 HydrophobicContact CB-CZ 4.34Å; V870-F934 HydrophobicContact CG2-CD1 4.47Å; V870-F934 HydrophobicContact CG2-CD2 3.9Å; V870-F934 HydrophobicContact CG2-CE1 4.16Å; V870-F934 HydrophobicContact CG2-CE2 3.54Å; V870-F934 HydrophobicContact CG2-CG 4.35Å; V870-F934 HydrophobicContact CG2-CZ 3.69Å; V870-L937 HydrophobicContact CG1-CD1 4.21Å
871	W	97.3	Very high	93.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-47.5	173.1	-179.7	-69.6	0	0	0	111.5	M854 A855 Q867 S868 D869 Y873 G874 V875 L900 C923 W924	M854-W871 PolarHBondContact O-NE1 3.39Å; A855-W871 HydrophobicContact CB-CB 3.74Å; A855-W871 HydrophobicContact CB-CD2 3.92Å; A855-W871 HydrophobicContact CB-CE3 4.2Å; A855-W871 HydrophobicContact CB-CG 3.71Å; Q867-W871 PolarHBondContact O-N 3.39Å; S868-W871 PolarHBondContact O-N 3.01Å; D869-W871 VanDerWaalsContact C-N 3.33Å; D869-W871 PolarHBondContact O-N 3.16Å; W871-Y873 VanDerWaalsContact C-N 3.26Å; W871-Y873 PolarHBondContact O-N 2.96Å; W871-G874 WeakPolarHBondContact O-CA 3.25Å; W871-G874 PolarHBondContact O-N 3.49Å; W871-V875 PolarHBondContact O-N 3.35Å; W871-V875 VanDerWaalsContact O-N 3.13Å; W871-L900 HydrophobicContact CH2-CD1 4.23Å; W871-L900 HydrophobicContact CH2-CD2 4Å; W871-L900 HydrophobicContact CZ2-CD1 3.65Å; W871-L900 HydrophobicContact CZ2-CD2 3.64Å; W871-L900 HydrophobicContact CZ2-CG 4.22Å; W871-C923 WeakPolarHBondContact CA-O 3.41Å; W871-W924 HydrophobicContact CD2-CB 4.41Å; W871-W924 AromaticContact CD2-CD1 3.8Å; W871-W924 HydrophobicContact CD2-CG 4.48Å; W871-W924 AromaticContact CE2-CD1 3.86Å; W871-W924 HydrophobicContact CE3-CB 4.19Å; W871-W924 AromaticContact CG-CD1 3.91Å; W871-W924 HydrophobicContact CH2-CB 4.19Å; W871-W924 HydrophobicContact CZ2-CB 4.41Å; W871-W924 HydrophobicContact CZ3-CB 4.08Å; W871-W924 VanDerWaalsContact CZ3-O 3.25Å; W871-W924 WeakPolarHBondContact CZ3-O 3.48Å; W871-W924 PolarHBondContact O-NE1 3.17Å
872	S	96.3	Very high	93.7	Very high	6 Å²	6	11.3 Å²	11.3	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-60.9	-35.3	177.5	-50.3	0	0	0	0	111.9	W853 S868 D869 V875 T876	W853-S872 WeakPolarHBondContact O-CA 3.37Å; W853-S872 PolarHBondContact O-OG 2.78Å; S868-S872 PolarHBondContact O-N 2.89Å; S868-S872 PolarHBondContact O-OG 3.49Å; D869-S872 CarbonylContact O-C 3.48Å; D869-S872 WeakPolarHBondContact O-CB 3.49Å; D869-S872 PolarHBondContact O-N 3.19Å; S872-V875 PolarHBondContact O-N 3.28Å; S872-T876 PolarHBondContact O-N 3.07Å; S872-T876 PolarHBondContact O-OG1 3.4Å
873	Y	97.9	Very high	94.4	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-64	-44.3	171.6	177.9	-92.5	0	0	0	111.9	C791 I794 A795 L811 D869 V870 W871 V875 T876 V877 F934 L937 L941	C791-Y873 PolarHBondContact O-OH 3.3Å; I794-Y873 HydrophobicContact CB-CE2 3.99Å; I794-Y873 HydrophobicContact CG2-CD2 3.79Å; I794-Y873 HydrophobicContact CG2-CE2 3.68Å; A795-Y873 HydrophobicContact CB-CE2 4.01Å; L811-Y873 HydrophobicContact CD2-CD2 4.17Å; L811-Y873 HydrophobicContact CD2-CG 4.49Å; D869-Y873 WeakPolarHBondContact O-CB 3.39Å; D869-Y873 PolarHBondContact O-N 3.29Å; V870-Y873 WeakPolarHBondContact O-CB 3.19Å; V870-Y873 PolarHBondContact O-N 3.35Å; W871-Y873 VanDerWaalsContact C-N 3.26Å; W871-Y873 PolarHBondContact O-N 2.96Å; Y873-V875 VanDerWaalsContact C-N 3.3Å; Y873-V875 PolarHBondContact O-N 3.26Å; Y873-T876 CarbonylContact O-C 3.57Å; Y873-T876 WeakPolarHBondContact O-CA 3.49Å; Y873-T876 WeakPolarHBondContact O-CB 3.41Å; Y873-T876 PolarHBondContact O-N 3.43Å; Y873-T876 VanDerWaalsContact O-N 3.08Å; Y873-V877 HydrophobicContact CD1-CG2 4Å; Y873-V877 HydrophobicContact CE1-CG2 3.42Å; Y873-V877 VanDerWaalsContact CE1-CG2 3.42Å; Y873-V877 HydrophobicContact CE2-CG2 4.09Å; Y873-V877 VanDerWaalsContact CZ-CG2 3.45Å; Y873-V877 WeakPolarHBondContact O-CG2 3.45Å; Y873-V877 PolarHBondContact O-N 3.1Å; Y873-F934 HydrophobicContact CD1-CE1 4.41Å; Y873-F934 AromaticContact CD2-CE1 3.95Å; Y873-F934 HydrophobicContact CD2-CE1 3.95Å; Y873-F934 AromaticContact CG-CE1 3.76Å; Y873-F934 HydrophobicContact CG-CE1 3.76Å; Y873-L937 HydrophobicContact CD1-CD1 3.83Å; Y873-L937 HydrophobicContact CE1-CD1 4.05Å; Y873-L941 HydrophobicContact CE1-CD1 4.13Å; Y873-L941 WeakPolarHBondContact OH-CD1 3.29Å
874	G	97.4	Very high	94.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.041	C	C	.	.	H	α-helix	trans	-55.6	-44	173.6	0	0	0	0	0	112.4	V870 W871 V877 W878 W924	V870-G874 PolarHBondContact O-N 2.88Å; W871-G874 WeakPolarHBondContact O-CA 3.25Å; W871-G874 PolarHBondContact O-N 3.49Å; G874-V877 PolarHBondContact O-N 3.41Å; G874-W878 PolarHBondContact O-N 3.32Å; G874-W924 VanDerWaalsContact C-CZ2 3.5Å; G874-W924 WeakPolarHBondContact O-CZ2 3.3Å
875	V	97.4	Very high	95.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.1	-41.2	174.3	-176.6	0	0	0	0	111.4	W853 W871 S872 Y873 V877 W878 E879 P887 L906 W924	W853-V875 VanDerWaalsContact CD1-CG1 3.47Å; W853-V875 HydrophobicContact CG-CG1 4.03Å; W871-V875 PolarHBondContact O-N 3.35Å; W871-V875 VanDerWaalsContact O-N 3.13Å; S872-V875 PolarHBondContact O-N 3.28Å; Y873-V875 VanDerWaalsContact C-N 3.3Å; Y873-V875 PolarHBondContact O-N 3.26Å; V875-V877 PolarHBondContact O-N 3.33Å; V875-W878 WeakPolarHBondContact O-CB 3.49Å; V875-W878 PolarHBondContact O-N 2.88Å; V875-W878 VanDerWaalsContact O-N 3.16Å; V875-E879 PolarHBondContact O-N 3.06Å; V875-P887 HydrophobicContact CG1-CB 3.88Å; V875-P887 HydrophobicContact CG1-CG 3.52Å; V875-L906 HydrophobicContact CG1-CD1 4.07Å; V875-L906 HydrophobicContact CG2-CD1 4.26Å; V875-W924 HydrophobicContact CG2-CZ2 4.36Å
876	T	96.9	Very high	95.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-41.2	176.6	-58.6	0	0	0	0	112.2	I794 L811 A812 A813 S872 Y873 W878 E879 L880	I794-T876 HydrophobicContact CD1-CG2 4.35Å; L811-T876 PolarHBondContact O-OG1 2.88Å; A812-T876 WeakPolarHBondContact CA-OG1 3.42Å; A813-T876 HydrophobicContact CB-CG2 4.45Å; S872-T876 PolarHBondContact O-N 3.07Å; S872-T876 PolarHBondContact O-OG1 3.4Å; Y873-T876 CarbonylContact O-C 3.57Å; Y873-T876 WeakPolarHBondContact O-CA 3.49Å; Y873-T876 WeakPolarHBondContact O-CB 3.41Å; Y873-T876 PolarHBondContact O-N 3.43Å; Y873-T876 VanDerWaalsContact O-N 3.08Å; T876-W878 VanDerWaalsContact C-N 3.33Å; T876-E879 WeakPolarHBondContact O-CB 3.43Å; T876-E879 PolarHBondContact O-N 3.31Å; T876-L880 WeakPolarHBondContact O-CG 3.41Å; T876-L880 PolarHBondContact O-N 2.93Å; T876-L880 VanDerWaalsContact O-N 3.13Å
877	V	97.6	Very high	95.1	Very high	7 Å²	7	10 Å²	10	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-38.8	174.7	176.4	0	0	0	0	110.6	C791 Y873 G874 V875 L880 M881 M920	C791-V877 HydrophobicContact CB-CG2 4.44Å; Y873-V877 HydrophobicContact CD1-CG2 4Å; Y873-V877 HydrophobicContact CE1-CG2 3.42Å; Y873-V877 VanDerWaalsContact CE1-CG2 3.42Å; Y873-V877 HydrophobicContact CE2-CG2 4.09Å; Y873-V877 VanDerWaalsContact CZ-CG2 3.45Å; Y873-V877 WeakPolarHBondContact O-CG2 3.45Å; Y873-V877 PolarHBondContact O-N 3.1Å; G874-V877 PolarHBondContact O-N 3.41Å; V875-V877 PolarHBondContact O-N 3.33Å; V877-L880 PolarHBondContact O-N 3.49Å; V877-M881 HydrophobicContact CG1-CE 4.26Å; V877-M881 HydrophobicContact CG1-CG 4.23Å; V877-M881 VanDerWaalsContact O-CG 3.31Å; V877-M881 WeakPolarHBondContact O-CG 3.3Å; V877-M881 PolarHBondContact O-N 3.11Å; V877-M920 HydrophobicContact CG1-CE 3.81Å; V877-M920 HydrophobicContact CG1-CG 4.41Å
878	W	97.6	Very high	94.9	Very high	20 Å²	20	9.8 Å²	9.8	8%	0.076	5%	0.054	C	C	.	.	H	α-helix	trans	-62.2	-41.1	173.3	-174.4	95.2	0	0	0	112.6	G874 V875 T876 L880 M881 T882 P887 L906 P907 P909 M920 W924	G874-W878 PolarHBondContact O-N 3.32Å; V875-W878 WeakPolarHBondContact O-CB 3.49Å; V875-W878 PolarHBondContact O-N 2.88Å; V875-W878 VanDerWaalsContact O-N 3.16Å; T876-W878 VanDerWaalsContact C-N 3.33Å; W878-L880 VanDerWaalsContact C-N 3.33Å; W878-L880 PolarHBondContact O-N 3.03Å; W878-M881 PolarHBondContact O-N 3.38Å; W878-T882 HydrophobicContact CD2-CG2 3.99Å; W878-T882 HydrophobicContact CE3-CG2 4.33Å; W878-T882 HydrophobicContact CH2-CG2 4.21Å; W878-T882 HydrophobicContact CZ2-CG2 3.86Å; W878-T882 HydrophobicContact CZ3-CG2 4.42Å; W878-T882 WeakPolarHBondContact O-CB 3.4Å; W878-T882 WeakPolarHBondContact O-CG2 3.21Å; W878-T882 PolarHBondContact O-N 2.92Å; W878-T882 PolarHBondContact O-OG1 2.75Å; W878-P887 HydrophobicContact CE3-CG 4.3Å; W878-P887 HydrophobicContact CZ3-CB 4.49Å; W878-P887 HydrophobicContact CZ3-CG 4.23Å; W878-L906 HydrophobicContact CB-CD1 4.23Å; W878-L906 HydrophobicContact CD2-CB 4.2Å; W878-L906 HydrophobicContact CD2-CD1 3.84Å; W878-L906 HydrophobicContact CD2-CD2 4.49Å; W878-L906 HydrophobicContact CD2-CG 4.4Å; W878-L906 HydrophobicContact CE3-CD1 4.07Å; W878-L906 HydrophobicContact CG-CB 4.14Å; W878-L906 HydrophobicContact CG-CD1 3.91Å; W878-L906 HydrophobicContact CH2-CD2 4.39Å; W878-L906 HydrophobicContact CZ2-CD2 4.24Å; W878-P907 PolarHBondContact NE1-O 2.81Å; W878-P909 HydrophobicContact CG-CG 4.38Å; W878-M920 HydrophobicContact CB-SD 4.06Å; W878-W924 HydrophobicContact CB-CH2 4.13Å; W878-W924 HydrophobicContact CB-CZ2 4.14Å; W878-W924 HydrophobicContact CG-CH2 4.31Å
879	E	96.9	Very high	94.5	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-44.3	172.9	-71	-175.4	99.3	0	0	111.5	A813 W853 V875 T876 T882 F883 G884 P887	A813-E879 HydrophobicContact CB-CB 3.9Å; A813-E879 HydrophobicContact CB-CG 4.45Å; A813-E879 WeakPolarHBondContact CB-OE2 3.43Å; A813-E879 PolarHBondContact N-OE2 2.72Å; W853-E879 VanDerWaalsContact NE1-CD 3.34Å; W853-E879 PolarHBondContact NE1-OE2 2.98Å; V875-E879 PolarHBondContact O-N 3.06Å; T876-E879 WeakPolarHBondContact O-CB 3.43Å; T876-E879 PolarHBondContact O-N 3.31Å; E879-T882 PolarHBondContact O-N 3.11Å; E879-T882 PolarHBondContact O-OG1 3.22Å; E879-F883 PolarHBondContact O-N 2.99Å; E879-G884 WeakPolarHBondContact O-CA 3.39Å; E879-G884 PolarHBondContact O-N 3.1Å; E879-P887 HydrophobicContact CG-CG 3.87Å
880	L	95.6	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-47.7	179	-64.3	176.8	0	0	0	112.1	L771 V775 L787 I794 T876 V877 W878 T882 F883	L771-L880 HydrophobicContact CD1-CD2 4.43Å; L771-L880 HydrophobicContact CD2-CD1 4.23Å; L771-L880 HydrophobicContact CD2-CD2 3.55Å; L771-L880 HydrophobicContact CG-CD2 3.67Å; V775-L880 HydrophobicContact CG1-CD2 4.06Å; L787-L880 HydrophobicContact CD2-CB 4.36Å; I794-L880 HydrophobicContact CD1-CD1 3.94Å; T876-L880 WeakPolarHBondContact O-CG 3.41Å; T876-L880 PolarHBondContact O-N 2.93Å; T876-L880 VanDerWaalsContact O-N 3.13Å; V877-L880 PolarHBondContact O-N 3.49Å; W878-L880 VanDerWaalsContact C-N 3.33Å; W878-L880 PolarHBondContact O-N 3.03Å; L880-T882 PolarHBondContact O-N 3.41Å; L880-F883 PolarHBondContact O-N 3.08Å
881	M	94.8	Very high	93.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-71.7	-10	-178.6	-60	-55.3	176.5	0	0	113.7	L787 L788 V877 W878 P909 I911 C912 V916 M920 L952	L787-M881 HydrophobicContact CB-CE 4.28Å; L787-M881 HydrophobicContact CB-SD 4.14Å; L787-M881 HydrophobicContact CD1-SD 4.16Å; L788-M881 HydrophobicContact CD2-CE 3.9Å; V877-M881 HydrophobicContact CG1-CE 4.26Å; V877-M881 HydrophobicContact CG1-CG 4.23Å; V877-M881 VanDerWaalsContact O-CG 3.31Å; V877-M881 WeakPolarHBondContact O-CG 3.3Å; V877-M881 PolarHBondContact O-N 3.11Å; W878-M881 PolarHBondContact O-N 3.38Å; M881-P909 HydrophobicContact CB-CB 3.79Å; M881-P909 HydrophobicContact CB-CG 3.81Å; M881-I911 HydrophobicContact CB-CD1 4.4Å; M881-I911 HydrophobicContact CB-CG1 4.46Å; M881-I911 WeakPolarHBondContact O-CD1 3.43Å; M881-I911 WeakPolarHBondContact O-CG1 3.4Å; M881-I911 HydrophobicContact SD-CD1 4.22Å; M881-C912 VanDerWaalsContact CB-SG 3.59Å; M881-C912 VanDerWaalsContact CG-SG 3.57Å; M881-V916 HydrophobicContact CE-CG1 4.32Å; M881-M920 HydrophobicContact CB-CE 4.11Å; M881-M920 HydrophobicContact CG-CE 3.76Å; M881-L952 HydrophobicContact CE-CD1 3.97Å; M881-L952 HydrophobicContact CE-CD2 4.07Å; M881-L952 HydrophobicContact SD-CD1 3.76Å; M881-L952 HydrophobicContact SD-CD2 3.6Å; M881-L952 VanDerWaalsContact SD-CD2 3.6Å; M881-L952 HydrophobicContact SD-CG 4.36Å
882	T	94.4	Very high	92.6	Very high	21 Å²	21	22.8 Å²	22.8	13%	0.129	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	15.9	171.8	59.7	0	0	0	0	112.8	W878 E879 L880 G884 S885 P909	W878-T882 HydrophobicContact CD2-CG2 3.99Å; W878-T882 HydrophobicContact CE3-CG2 4.33Å; W878-T882 HydrophobicContact CH2-CG2 4.21Å; W878-T882 HydrophobicContact CZ2-CG2 3.86Å; W878-T882 HydrophobicContact CZ3-CG2 4.42Å; W878-T882 WeakPolarHBondContact O-CB 3.4Å; W878-T882 WeakPolarHBondContact O-CG2 3.21Å; W878-T882 PolarHBondContact O-N 2.92Å; W878-T882 PolarHBondContact O-OG1 2.75Å; E879-T882 PolarHBondContact O-N 3.11Å; E879-T882 PolarHBondContact O-OG1 3.22Å; L880-T882 PolarHBondContact O-N 3.41Å; T882-G884 VanDerWaalsContact C-N 3.26Å; T882-G884 PolarHBondContact O-N 3.14Å; T882-S885 PolarHBondContact O-N 3.09Å; T882-S885 PolarHBondContact O-OG 3.44Å; T882-S885 WeakPolarHBondContact OG1-CB 3.46Å; T882-P909 HydrophobicContact CG2-CB 3.82Å; T882-P909 HydrophobicContact CG2-CG 3.96Å
883	F	92.8	Very high	91.9	Very high	28 Å²	28	22.9 Å²	22.9	12%	0.123	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	41	-179.2	-60.9	-85.3	0	0	0	113.8	R776 K779 I782 L787 E879 L880 I911 I954	R776-F883 WeakPolarHBondContact CG-O 3.44Å; K779-F883 HydrophobicContact CB-CB 4.39Å; K779-F883 HydrophobicContact CB-CD1 4.07Å; K779-F883 HydrophobicContact CB-CG 4.32Å; K779-F883 HydrophobicContact CD-CB 4.18Å; K779-F883 HydrophobicContact CD-CD2 4.41Å; K779-F883 HydrophobicContact CD-CG 4.21Å; K779-F883 HydrophobicContact CG-CB 4.05Å; K779-F883 HydrophobicContact CG-CD1 3.76Å; K779-F883 HydrophobicContact CG-CD2 4.11Å; K779-F883 HydrophobicContact CG-CE1 4.18Å; K779-F883 HydrophobicContact CG-CE2 4.49Å; K779-F883 HydrophobicContact CG-CG 3.71Å; I782-F883 HydrophobicContact CB-CE1 4.21Å; I782-F883 HydrophobicContact CG2-CE1 4.26Å; L787-F883 HydrophobicContact CD1-CE1 4.29Å; L787-F883 HydrophobicContact CD1-CZ 4.19Å; E879-F883 PolarHBondContact O-N 2.99Å; L880-F883 PolarHBondContact O-N 3.08Å; F883-I911 HydrophobicContact CE2-CD1 3.94Å; F883-I911 HydrophobicContact CE2-CG2 4.28Å; F883-I911 HydrophobicContact CZ-CD1 4.19Å; F883-I954 HydrophobicContact CZ-CD1 4.4Å
884	G	91.5	Very high	91.2	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	17%	0.168	C	C	.	.	S	Bend	trans	82	29.8	178.1	0	0	0	0	0	114.5	L772 R776 E879 T882	L772-G884 VanDerWaalsContact CD1-CA 3.44Å; R776-G884 VanDerWaalsContact CZ-O 3.29Å; R776-G884 PolarHBondContact NE-O 3.5Å; R776-G884 PolarHBondContact NH2-O 2.77Å; E879-G884 WeakPolarHBondContact O-CA 3.39Å; E879-G884 PolarHBondContact O-N 3.1Å; T882-G884 VanDerWaalsContact C-N 3.26Å; T882-G884 PolarHBondContact O-N 3.14Å
885	S	91.6	Very high	90.7	Very high	59 Å²	59	34.8 Å²	34.8	41%	0.413	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-67.6	152.6	168	-59.7	0	0	0	0	110.4	T882	T882-S885 PolarHBondContact O-N 3.09Å; T882-S885 PolarHBondContact O-OG 3.44Å; T882-S885 WeakPolarHBondContact OG1-CB 3.46Å
886	K	88.8	Confident	90.3	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.135	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-84.2	127.6	-174.3	-171.4	163.6	177.8	174.9	0	111.4	Y888 D889 P1102 E1251	K886-Y888 PolarHBondContact O-N 3.46Å; K886-D889 HydrophobicContact CB-CB 4.12Å; K886-D889 WeakPolarHBondContact CD-OD1 3.37Å; K886-D889 PolarHBondContact O-N 3.06Å; K886-P1102 PolarHBondContact NZ-O 3.24Å; K886-E1251 VanDerWaalsContact CE-OE1 3.27Å; K886-E1251 WeakPolarHBondContact CE-OE1 3.49Å; K886-E1251 VanDerWaalsContact NZ-CD 3.31Å; K886-E1251 IonicContact NZ-OE1 3.57Å; K886-E1251 PolarHBondContact NZ-OE1 2.94Å
887	P	91.9	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	133	174.2	-27.5	36.7	0	0	0	111.4	K852 W853 V875 W878 E879 D889 L906	K852-P887 VanDerWaalsContact CD-O 3.3Å; K852-P887 WeakPolarHBondContact CD-O 3.49Å; W853-P887 HydrophobicContact CZ2-CG 3.84Å; V875-P887 HydrophobicContact CG1-CB 3.88Å; V875-P887 HydrophobicContact CG1-CG 3.52Å; W878-P887 HydrophobicContact CE3-CG 4.3Å; W878-P887 HydrophobicContact CZ3-CB 4.49Å; W878-P887 HydrophobicContact CZ3-CG 4.23Å; E879-P887 HydrophobicContact CG-CG 3.87Å; P887-D889 PolarHBondContact O-N 3.42Å; P887-D889 VanDerWaalsContact O-N 3.11Å; P887-L906 HydrophobicContact CB-CD1 4.24Å; P887-L906 HydrophobicContact CB-CD2 4.27Å
888	Y	91.3	Very high	89.4	Confident	19 Å²	19	40.9 Å²	40.9	8%	0.075	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	40.1	178.5	-49.7	-80.5	0	0	0	113.9	K852 K886 T890 I891 I896 L899 L906	K852-Y888 HydrophobicContact CB-CD2 4.47Å; K852-Y888 PolarHBondContact NZ-O 2.87Å; K886-Y888 PolarHBondContact O-N 3.46Å; Y888-T890 VanDerWaalsContact C-N 3.3Å; Y888-T890 PolarHBondContact O-N 3.31Å; Y888-T890 VanDerWaalsContact O-N 3.11Å; Y888-I891 HydrophobicContact CD1-CD1 4.35Å; Y888-I891 PolarHBondContact O-N 2.91Å; Y888-I896 HydrophobicContact CD1-CD1 4.34Å; Y888-I896 HydrophobicContact CD2-CD1 4.03Å; Y888-I896 HydrophobicContact CG-CD1 3.8Å; Y888-L899 HydrophobicContact CD1-CD2 3.82Å; Y888-L899 HydrophobicContact CE1-CD2 3.93Å; Y888-L906 HydrophobicContact CD1-CD2 3.7Å; Y888-L906 HydrophobicContact CD1-CG 4.42Å; Y888-L906 HydrophobicContact CD2-CD2 3.82Å; Y888-L906 HydrophobicContact CD2-CG 4.4Å; Y888-L906 HydrophobicContact CE1-CD2 3.67Å; Y888-L906 HydrophobicContact CE1-CG 3.88Å; Y888-L906 HydrophobicContact CE2-CD1 4.19Å; Y888-L906 HydrophobicContact CE2-CD2 3.8Å; Y888-L906 HydrophobicContact CE2-CG 3.86Å; Y888-L906 HydrophobicContact CG-CD2 3.77Å
889	D	83.7	Confident	89.1	Confident	55 Å²	55	42 Å²	42	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-47.4	-165.7	-169.3	40.1	0	0	0	114.1	K886 P887 I891	K886-D889 HydrophobicContact CB-CB 4.12Å; K886-D889 WeakPolarHBondContact CD-OD1 3.37Å; K886-D889 PolarHBondContact O-N 3.06Å; P887-D889 PolarHBondContact O-N 3.42Å; P887-D889 VanDerWaalsContact O-N 3.11Å; D889-I891 VanDerWaalsContact C-N 3.32Å; D889-I891 PolarHBondContact O-N 2.98Å
890	T	83.9	Confident	88.8	Confident	136 Å²	136	42 Å²	42	83%	0.834	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.5	-177	51.5	0	0	0	0	115.7	Y888	Y888-T890 VanDerWaalsContact C-N 3.3Å; Y888-T890 PolarHBondContact O-N 3.31Å; Y888-T890 VanDerWaalsContact O-N 3.11Å
891	I	84.9	Confident	88.5	Confident	45 Å²	45	47.8 Å²	47.8	23%	0.231	25%	0.25	C	S	.	.	S	Bend	trans	-104.2	137.8	-171.2	-51.4	-178.1	0	0	0	110	K852 Y888 D889 E895 I896 L899	K852-I891 WeakPolarHBondContact CE-O 3.35Å; K852-I891 PolarHBondContact NZ-O 3.16Å; Y888-I891 HydrophobicContact CD1-CD1 4.35Å; Y888-I891 PolarHBondContact O-N 2.91Å; D889-I891 VanDerWaalsContact C-N 3.32Å; D889-I891 PolarHBondContact O-N 2.98Å; I891-E895 HydrophobicContact CG2-CB 3.88Å; I891-I896 HydrophobicContact CB-CD1 4.22Å; I891-I896 HydrophobicContact CG2-CD1 3.9Å; I891-L899 HydrophobicContact CD1-CD1 4.36Å; I891-L899 HydrophobicContact CD1-CD2 3.5Å
892	A	82.4	Confident	88	Confident	42 Å²	42	50.7 Å²	50.7	35%	0.347	28%	0.281	S	S	.	.			trans	-72.9	144.2	177.4	0	0	0	0	0	110.9	R894 E895	A892-R894 HydrophobicContact CB-CG 4.14Å; A892-R894 PolarHBondContact O-N 3.07Å; A892-E895 WeakPolarHBondContact CB-OE2 3.34Å; A892-E895 PolarHBondContact N-OE2 3.38Å; A892-E895 PolarHBondContact O-N 3.08Å
893	A	81.3	Confident	87.6	Confident	7 Å²	7	52 Å²	52	6%	0.058	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28.7	-176.5	0	0	0	0	0	113.9	I851 E895 I896 L1253	I851-A893 HydrophobicContact CB-CB 4.5Å; I851-A893 WeakPolarHBondContact CG2-O 3.43Å; A893-E895 VanDerWaalsContact C-N 3.34Å; A893-E895 PolarHBondContact O-N 2.91Å; A893-I896 WeakPolarHBondContact O-CG1 3.39Å; A893-L1253 HydrophobicContact CB-CD1 3.99Å; A893-L1253 HydrophobicContact CB-CG 4.29Å
894	R	81.6	Confident	87.5	Confident	183 Å²	183	56.3 Å²	56.3	69%	0.691	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-69.7	-22.5	176.3	73.1	-174	-177.1	167.6	5.9	114.8	A892 P897 L1253	A892-R894 HydrophobicContact CB-CG 4.14Å; A892-R894 PolarHBondContact O-N 3.07Å; R894-P897 WeakPolarHBondContact O-CD 3.44Å; R894-L1253 HydrophobicContact CB-CD1 4.19Å
895	E	87.5	Confident	87.5	Confident	70 Å²	70	58.2 Å²	58.2	33%	0.327	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-94.4	-5.2	-176.3	-75.3	137.7	-148.5	0	0	112.3	I891 A892 A893 P897 L899	I891-E895 HydrophobicContact CG2-CB 3.88Å; A892-E895 WeakPolarHBondContact CB-OE2 3.34Å; A892-E895 PolarHBondContact N-OE2 3.38Å; A892-E895 PolarHBondContact O-N 3.08Å; A893-E895 VanDerWaalsContact C-N 3.34Å; A893-E895 PolarHBondContact O-N 2.91Å; E895-P897 VanDerWaalsContact C-CD 3.5Å; E895-L899 WeakPolarHBondContact O-CB 3.24Å; E895-L899 PolarHBondContact O-N 3.47Å
896	I	89.9	Confident	87.7	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-37.5	179	-58	-63.7	0	0	0	113.6	I851 K852 I859 Y888 I891 A893 L899 L900	I851-I896 HydrophobicContact CG2-CB 4.05Å; I851-I896 HydrophobicContact CG2-CG1 4.37Å; I851-I896 HydrophobicContact CG2-CG2 4.25Å; K852-I896 HydrophobicContact CG-CD1 4.49Å; K852-I896 HydrophobicContact CG-CG1 4.35Å; I859-I896 HydrophobicContact CD1-CG2 4.44Å; Y888-I896 HydrophobicContact CD1-CD1 4.34Å; Y888-I896 HydrophobicContact CD2-CD1 4.03Å; Y888-I896 HydrophobicContact CG-CD1 3.8Å; I891-I896 HydrophobicContact CB-CD1 4.22Å; I891-I896 HydrophobicContact CG2-CD1 3.9Å; A893-I896 WeakPolarHBondContact O-CG1 3.39Å; I896-L899 HydrophobicContact CD1-CD2 4.35Å; I896-L900 HydrophobicContact CG2-CD1 3.71Å; I896-L900 HydrophobicContact CG2-CG 4.08Å; I896-L900 WeakPolarHBondContact O-CB 3.46Å; I896-L900 VanDerWaalsContact O-CG 3.25Å; I896-L900 WeakPolarHBondContact O-CG 3.41Å; I896-L900 PolarHBondContact O-N 3.13Å
897	P	87.7	Confident	87.9	Confident	18 Å²	18	58.2 Å²	58.2	12%	0.117	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-54.6	178.8	-21.9	33.6	0	0	0	112.4	L856 I859 L860 R894 E895 L899 L900 E901	L856-P897 HydrophobicContact CD1-CB 4.33Å; I859-P897 HydrophobicContact CG2-CG 3.91Å; L860-P897 HydrophobicContact CD2-CB 4.13Å; R894-P897 WeakPolarHBondContact O-CD 3.44Å; E895-P897 VanDerWaalsContact C-CD 3.5Å; P897-L899 VanDerWaalsContact C-N 3.26Å; P897-L899 PolarHBondContact O-N 3.37Å; P897-L900 PolarHBondContact O-N 3.24Å; P897-E901 PolarHBondContact O-N 2.89Å
898	D	87.8	Confident	88.1	Confident	115 Å²	115	62.3 Å²	62.3	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-57.2	-40.4	-179.4	-50.3	-14.8	0	0	0	111.6	G902	D898-G902 PolarHBondContact O-N 3.2Å
899	L	90.6	Very high	88.2	Confident	44 Å²	44	61.5 Å²	61.5	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-47.1	175.5	-178.1	74.8	0	0	0	111.9	Y888 I891 E895 I896 P897 G902 G903 E904	Y888-L899 HydrophobicContact CD1-CD2 3.82Å; Y888-L899 HydrophobicContact CE1-CD2 3.93Å; I891-L899 HydrophobicContact CD1-CD1 4.36Å; I891-L899 HydrophobicContact CD1-CD2 3.5Å; E895-L899 WeakPolarHBondContact O-CB 3.24Å; E895-L899 PolarHBondContact O-N 3.47Å; I896-L899 HydrophobicContact CD1-CD2 4.35Å; P897-L899 VanDerWaalsContact C-N 3.26Å; P897-L899 PolarHBondContact O-N 3.37Å; L899-G902 PolarHBondContact O-N 3.21Å; L899-G903 PolarHBondContact O-N 2.87Å; L899-E904 HydrophobicContact CD1-CB 3.58Å; L899-E904 HydrophobicContact CD1-CG 3.91Å; L899-E904 HydrophobicContact CG-CB 3.85Å; L899-E904 PolarHBondContact O-N 3.03Å
900	L	91.6	Very high	88.5	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-71.1	-36.5	-178.4	-70.7	178	0	0	0	112.5	L856 I859 W871 I896 P897 G902 G903 R905	L856-L900 HydrophobicContact CD1-CB 4.2Å; I859-L900 HydrophobicContact CD1-CD1 4.3Å; W871-L900 HydrophobicContact CH2-CD1 4.23Å; W871-L900 HydrophobicContact CH2-CD2 4Å; W871-L900 HydrophobicContact CZ2-CD1 3.65Å; W871-L900 HydrophobicContact CZ2-CD2 3.64Å; W871-L900 HydrophobicContact CZ2-CG 4.22Å; I896-L900 HydrophobicContact CG2-CD1 3.71Å; I896-L900 HydrophobicContact CG2-CG 4.08Å; I896-L900 WeakPolarHBondContact O-CB 3.46Å; I896-L900 VanDerWaalsContact O-CG 3.25Å; I896-L900 WeakPolarHBondContact O-CG 3.41Å; I896-L900 PolarHBondContact O-N 3.13Å; P897-L900 PolarHBondContact O-N 3.24Å; L900-G902 VanDerWaalsContact C-N 3.35Å; L900-G903 PolarHBondContact O-N 2.69Å; L900-G903 VanDerWaalsContact O-N 3.13Å; L900-R905 PolarHBondContact O-NH1 3.22Å
901	E	88.1	Confident	88.9	Confident	122 Å²	122	59.7 Å²	59.7	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-63.1	-38.9	170.5	-77.2	-170.5	179.8	0	0	112	L856 L860 P897 G903	L856-E901 HydrophobicContact CD1-CG 4.26Å; L856-E901 HydrophobicContact CD2-CG 3.72Å; L860-E901 WeakPolarHBondContact CD1-OE1 3.31Å; P897-E901 PolarHBondContact O-N 2.89Å; E901-G903 PolarHBondContact O-N 3.37Å; E901-G903 VanDerWaalsContact O-N 3.1Å
902	G	84.8	Confident	89.3	Confident	63 Å²	63	58 Å²	58	65%	0.649	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.3	171.4	0	0	0	0	0	114.6	D898 L899 L900	D898-G902 PolarHBondContact O-N 3.2Å; L899-G902 PolarHBondContact O-N 3.21Å; L900-G902 VanDerWaalsContact C-N 3.35Å
903	G	86.1	Confident	89.9	Confident	47 Å²	47	57.4 Å²	57.4	49%	0.485	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-3	178.3	0	0	0	0	0	114.8	L899 L900 E901 R905	L899-G903 PolarHBondContact O-N 2.87Å; L900-G903 PolarHBondContact O-N 2.69Å; L900-G903 VanDerWaalsContact O-N 3.13Å; E901-G903 PolarHBondContact O-N 3.37Å; E901-G903 VanDerWaalsContact O-N 3.1Å; G903-R905 PolarHBondContact O-NH1 2.53Å
904	E	89.7	Confident	90.4	Very high	120 Å²	120	61.4 Å²	61.4	56%	0.561	34%	0.337	S	S	*	.			trans	-68.2	149.6	-179.8	-69.3	-64.8	165.6	0	0	112.1	L899	L899-E904 HydrophobicContact CD1-CB 3.58Å; L899-E904 HydrophobicContact CD1-CG 3.91Å; L899-E904 HydrophobicContact CG-CB 3.85Å; L899-E904 PolarHBondContact O-N 3.03Å
905	R	92.4	Very high	90.9	Very high	45 Å²	45	56.4 Å²	56.4	17%	0.17	33%	0.325	C	S	.	.			trans	-144.6	167.6	-174.6	-64.6	-61.6	-178.2	-91	3	111.7	L900 G903 W924	L900-R905 PolarHBondContact O-NH1 3.22Å; G903-R905 PolarHBondContact O-NH1 2.53Å; R905-W924 HydrophobicContact CB-CE3 4.13Å; R905-W924 HydrophobicContact CG-CE3 4.43Å; R905-W924 PolarHBondContact NE-O 3.47Å; R905-W924 PolarHBondContact NH2-O 2.74Å
906	L	95	Very high	91.1	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.4	135.3	172.6	-66.2	169.1	0	0	0	110.4	V875 W878 P887 Y888 Y917 W924	V875-L906 HydrophobicContact CG1-CD1 4.07Å; V875-L906 HydrophobicContact CG2-CD1 4.26Å; W878-L906 HydrophobicContact CB-CD1 4.23Å; W878-L906 HydrophobicContact CD2-CB 4.2Å; W878-L906 HydrophobicContact CD2-CD1 3.84Å; W878-L906 HydrophobicContact CD2-CD2 4.49Å; W878-L906 HydrophobicContact CD2-CG 4.4Å; W878-L906 HydrophobicContact CE3-CD1 4.07Å; W878-L906 HydrophobicContact CG-CB 4.14Å; W878-L906 HydrophobicContact CG-CD1 3.91Å; W878-L906 HydrophobicContact CH2-CD2 4.39Å; W878-L906 HydrophobicContact CZ2-CD2 4.24Å; P887-L906 HydrophobicContact CB-CD1 4.24Å; P887-L906 HydrophobicContact CB-CD2 4.27Å; Y888-L906 HydrophobicContact CD1-CD2 3.7Å; Y888-L906 HydrophobicContact CD1-CG 4.42Å; Y888-L906 HydrophobicContact CD2-CD2 3.82Å; Y888-L906 HydrophobicContact CD2-CG 4.4Å; Y888-L906 HydrophobicContact CE1-CD2 3.67Å; Y888-L906 HydrophobicContact CE1-CG 3.88Å; Y888-L906 HydrophobicContact CE2-CD1 4.19Å; Y888-L906 HydrophobicContact CE2-CD2 3.8Å; Y888-L906 HydrophobicContact CE2-CG 3.86Å; Y888-L906 HydrophobicContact CG-CD2 3.77Å; L906-Y917 WeakPolarHBondContact O-CE2 3.4Å; L906-Y917 PolarHBondContact O-OH 2.99Å; L906-W924 HydrophobicContact CB-CH2 3.69Å; L906-W924 HydrophobicContact CB-CZ2 4.33Å; L906-W924 HydrophobicContact CB-CZ3 4.05Å; L906-W924 HydrophobicContact CD1-CH2 4.08Å; L906-W924 HydrophobicContact CD1-CZ2 3.88Å; L906-W924 HydrophobicContact CG-CH2 4.39Å
907	P	94.1	Very high	91.4	Very high	85 Å²	85	55.2 Å²	55.2	55%	0.552	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-72.7	158.8	-174.7	30.5	-36.7	0	0	0	112.6	W878 P909	W878-P907 PolarHBondContact NE1-O 2.81Å; P907-P909 WeakPolarHBondContact O-CD 3.44Å
908	Q	94.9	Very high	91.8	Very high	86 Å²	86	59 Å²	59	40%	0.402	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-55.6	123.4	176.6	179.5	167	-9.9	0	0	112	C912 Y917	Q908-C912 PolarHBondContact NE2-O 2.84Å; Q908-Y917 HydrophobicContact CB-CD1 3.81Å; Q908-Y917 HydrophobicContact CB-CD2 3.89Å; Q908-Y917 HydrophobicContact CB-CE1 4Å; Q908-Y917 HydrophobicContact CB-CE2 4.07Å; Q908-Y917 HydrophobicContact CB-CG 3.75Å; Q908-Y917 HydrophobicContact CG-CD1 4.13Å; Q908-Y917 HydrophobicContact CG-CD2 4.28Å; Q908-Y917 HydrophobicContact CG-CG 3.84Å
909	P	95.3	Very high	92.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.013	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.9	138.3	174.9	-24.4	35.1	0	0	0	111.7	W878 M881 T882 P907 I911 C912 M920	W878-P909 HydrophobicContact CG-CG 4.38Å; M881-P909 HydrophobicContact CB-CB 3.79Å; M881-P909 HydrophobicContact CB-CG 3.81Å; T882-P909 HydrophobicContact CG2-CB 3.82Å; T882-P909 HydrophobicContact CG2-CG 3.96Å; P907-P909 WeakPolarHBondContact O-CD 3.44Å; P909-I911 PolarHBondContact O-N 3.34Å; P909-C912 HydrophobicContact CB-CB 4.4Å; P909-C912 PolarHBondContact O-N 3.27Å; P909-M920 HydrophobicContact CG-CE 3.89Å; P909-M920 HydrophobicContact CG-SD 4.16Å
910	P	89.4	Confident	92.5	Very high	131 Å²	131	52.1 Å²	52.1	85%	0.851	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.1	-173.3	-28.2	35.8	0	0	0	116.1
911	I	92	Very high	92.7	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.118	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.5	177.5	65.7	169.7	0	0	0	113.4	L787 M881 F883 P909 L952 V953 I954	L787-I911 HydrophobicContact CD1-CD1 3.72Å; M881-I911 HydrophobicContact CB-CD1 4.4Å; M881-I911 HydrophobicContact CB-CG1 4.46Å; M881-I911 WeakPolarHBondContact O-CD1 3.43Å; M881-I911 WeakPolarHBondContact O-CG1 3.4Å; M881-I911 HydrophobicContact SD-CD1 4.22Å; F883-I911 HydrophobicContact CE2-CD1 3.94Å; F883-I911 HydrophobicContact CE2-CG2 4.28Å; F883-I911 HydrophobicContact CZ-CD1 4.19Å; P909-I911 PolarHBondContact O-N 3.34Å; I911-L952 HydrophobicContact CD1-CD2 4.46Å; I911-L952 HydrophobicContact CG1-CD2 4.4Å; I911-L952 CarbonylContact O-C 3.22Å; I911-L952 VanDerWaalsContact O-CA 3.23Å; I911-L952 WeakPolarHBondContact O-CA 3.5Å; I911-V953 PolarHBondContact O-N 3.48Å; I911-I954 HydrophobicContact CB-CG1 4.31Å; I911-I954 HydrophobicContact CD1-CD1 4.22Å; I911-I954 HydrophobicContact CD1-CG1 4.43Å; I911-I954 HydrophobicContact CG2-CG1 4.25Å
912	C	94.3	Very high	93	Very high	8 Å²	8	52.7 Å²	52.7	5%	0.054	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-89.9	137.7	-172.5	-71.9	0	0	0	0	112.4	M881 Q908 P909 V916 L952	M881-C912 VanDerWaalsContact CB-SG 3.59Å; M881-C912 VanDerWaalsContact CG-SG 3.57Å; Q908-C912 PolarHBondContact NE2-O 2.84Å; P909-C912 HydrophobicContact CB-CB 4.4Å; P909-C912 PolarHBondContact O-N 3.27Å; C912-V916 HydrophobicContact CB-CB 4.19Å; C912-V916 HydrophobicContact CB-CG1 4.43Å; C912-L952 HydrophobicContact CB-CD2 4.43Å
913	T	93.9	Very high	93.6	Very high	31 Å²	31	49.8 Å²	49.8	19%	0.19	27%	0.272	C	S	.	.			trans	-71	166.6	159.1	68.4	0	0	0	0	111.4	D915 V916 Y917 R950 Y951	T913-D915 PolarHBondContact O-N 2.78Å; T913-V916 PolarHBondContact O-N 3.4Å; T913-Y917 PolarHBondContact O-N 3.45Å; T913-R950 VanDerWaalsContact CG2-O 3.27Å; T913-R950 WeakPolarHBondContact CG2-O 3.36Å; T913-Y951 PolarHBondContact N-O 3.35Å; T913-Y951 PolarHBondContact OG1-O 2.96Å
914	I	90.8	Very high	94.1	Very high	90 Å²	90	47.6 Å²	47.6	46%	0.462	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-32.6	177.2	-172.8	57.4	0	0	0	112.3	V916 Y917 M918	I914-V916 PolarHBondContact O-N 3.16Å; I914-Y917 HydrophobicContact CD1-CD1 4.09Å; I914-Y917 PolarHBondContact O-N 2.97Å; I914-M918 HydrophobicContact CD1-CG 3.87Å; I914-M918 HydrophobicContact CD1-SD 4.33Å; I914-M918 HydrophobicContact CG1-CG 3.92Å; I914-M918 WeakPolarHBondContact O-CB 3.19Å; I914-M918 WeakPolarHBondContact O-CG 3.36Å; I914-M918 PolarHBondContact O-N 2.99Å
915	D	92.4	Very high	94.3	Very high	79 Å²	79	45.8 Å²	45.8	42%	0.422	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-44.6	-179.4	-58.3	-48.3	0	0	0	112	T913 I919 Y951	T913-D915 PolarHBondContact O-N 2.78Å; D915-I919 PolarHBondContact O-N 3.19Å; D915-Y951 HydrophobicContact CB-CD1 3.95Å; D915-Y951 HydrophobicContact CB-CE1 4.04Å
916	V	93.1	Very high	94.2	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-42	177.5	-175.6	0	0	0	0	110.7	M881 C912 T913 I914 I919 M920 M944 Y951 L952	M881-V916 HydrophobicContact CE-CG1 4.32Å; C912-V916 HydrophobicContact CB-CB 4.19Å; C912-V916 HydrophobicContact CB-CG1 4.43Å; T913-V916 PolarHBondContact O-N 3.4Å; I914-V916 PolarHBondContact O-N 3.16Å; V916-I919 PolarHBondContact O-N 3.47Å; V916-M920 HydrophobicContact CG1-CE 4.05Å; V916-M920 PolarHBondContact O-N 2.63Å; V916-M944 HydrophobicContact CG2-SD 3.95Å; V916-Y951 WeakPolarHBondContact CG2-O 3.42Å; V916-L952 HydrophobicContact CG1-CD2 4.43Å; V916-L952 HydrophobicContact CG2-CD2 4.29Å
917	Y	96.4	Very high	94	Very high	42 Å²	42	50.6 Å²	50.6	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-38.6	178.7	-179.9	-123	0	0	0	112.4	L906 Q908 T913 I914 I919 M920 V921 W924	L906-Y917 WeakPolarHBondContact O-CE2 3.4Å; L906-Y917 PolarHBondContact O-OH 2.99Å; Q908-Y917 HydrophobicContact CB-CD1 3.81Å; Q908-Y917 HydrophobicContact CB-CD2 3.89Å; Q908-Y917 HydrophobicContact CB-CE1 4Å; Q908-Y917 HydrophobicContact CB-CE2 4.07Å; Q908-Y917 HydrophobicContact CB-CG 3.75Å; Q908-Y917 HydrophobicContact CG-CD1 4.13Å; Q908-Y917 HydrophobicContact CG-CD2 4.28Å; Q908-Y917 HydrophobicContact CG-CG 3.84Å; T913-Y917 PolarHBondContact O-N 3.45Å; I914-Y917 HydrophobicContact CD1-CD1 4.09Å; I914-Y917 PolarHBondContact O-N 2.97Å; Y917-I919 PolarHBondContact O-N 2.96Å; Y917-M920 HydrophobicContact CD2-CB 4.48Å; Y917-M920 HydrophobicContact CD2-SD 4.11Å; Y917-M920 WeakPolarHBondContact O-CA 3.22Å; Y917-M920 WeakPolarHBondContact O-CB 3.12Å; Y917-M920 PolarHBondContact O-N 3.23Å; Y917-V921 HydrophobicContact CD1-CG2 4.19Å; Y917-V921 HydrophobicContact CD2-CG2 4.35Å; Y917-V921 HydrophobicContact CE1-CG2 3.8Å; Y917-V921 HydrophobicContact CE2-CG2 4Å; Y917-V921 HydrophobicContact CG-CG2 4.45Å; Y917-V921 WeakPolarHBondContact O-CG2 3.44Å; Y917-V921 PolarHBondContact O-N 2.93Å; Y917-W924 HydrophobicContact CE2-CZ3 4.2Å
918	M	94.7	Very high	93.9	Very high	97 Å²	97	48.1 Å²	48.1	48%	0.478	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-24.8	175.9	-74.2	-68.4	-77.4	0	0	112.7	I914 K922	I914-M918 HydrophobicContact CD1-CG 3.87Å; I914-M918 HydrophobicContact CD1-SD 4.33Å; I914-M918 HydrophobicContact CG1-CG 3.92Å; I914-M918 WeakPolarHBondContact O-CB 3.19Å; I914-M918 WeakPolarHBondContact O-CG 3.36Å; I914-M918 PolarHBondContact O-N 2.99Å; M918-K922 WeakPolarHBondContact O-CB 3.31Å; M918-K922 VanDerWaalsContact O-CG 3.23Å; M918-K922 WeakPolarHBondContact O-CG 3.47Å; M918-K922 PolarHBondContact O-N 2.86Å
919	I	95.8	Very high	93.7	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.072	27%	0.271	C	S	.	.	H	α-helix	trans	-72.9	-39.5	170.9	-72.9	161	0	0	0	111.5	D915 V916 Y917 K922 C923 L937 D940 M944	D915-I919 PolarHBondContact O-N 3.19Å; V916-I919 PolarHBondContact O-N 3.47Å; Y917-I919 PolarHBondContact O-N 2.96Å; I919-K922 PolarHBondContact O-N 3.03Å; I919-C923 PolarHBondContact O-N 3.39Å; I919-C923 VanDerWaalsContact O-N 3.1Å; I919-C923 PolarHBondContact O-SG 3.01Å; I919-L937 HydrophobicContact CG2-CD2 3.6Å; I919-D940 HydrophobicContact CD1-CB 3.95Å; I919-M944 HydrophobicContact CD1-CE 3.26Å; I919-M944 HydrophobicContact CD1-SD 4.04Å
920	M	97.1	Very high	93.6	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-61.5	-45	171.2	-50.3	177.8	-169.5	0	0	111	V877 W878 M881 P909 V916 Y917 K922 C923 W924	V877-M920 HydrophobicContact CG1-CE 3.81Å; V877-M920 HydrophobicContact CG1-CG 4.41Å; W878-M920 HydrophobicContact CB-SD 4.06Å; M881-M920 HydrophobicContact CB-CE 4.11Å; M881-M920 HydrophobicContact CG-CE 3.76Å; P909-M920 HydrophobicContact CG-CE 3.89Å; P909-M920 HydrophobicContact CG-SD 4.16Å; V916-M920 HydrophobicContact CG1-CE 4.05Å; V916-M920 PolarHBondContact O-N 2.63Å; Y917-M920 HydrophobicContact CD2-CB 4.48Å; Y917-M920 HydrophobicContact CD2-SD 4.11Å; Y917-M920 WeakPolarHBondContact O-CA 3.22Å; Y917-M920 WeakPolarHBondContact O-CB 3.12Å; Y917-M920 PolarHBondContact O-N 3.23Å; M920-K922 PolarHBondContact O-N 3.12Å; M920-C923 WeakPolarHBondContact O-CA 3.5Å; M920-C923 WeakPolarHBondContact O-CB 3.28Å; M920-C923 PolarHBondContact O-N 3.2Å; M920-C923 VanDerWaalsContact O-N 3.08Å; M920-W924 HydrophobicContact CB-CE3 4.23Å; M920-W924 HydrophobicContact CB-CH2 3.58Å; M920-W924 HydrophobicContact CB-CZ2 3.97Å; M920-W924 HydrophobicContact CB-CZ3 3.73Å; M920-W924 HydrophobicContact CG-CH2 4.4Å; M920-W924 PolarHBondContact O-N 2.73Å; M920-W924 VanDerWaalsContact O-N 3.17Å; M920-W924 HydrophobicContact SD-CH2 4.21Å
921	V	95.4	Very high	94	Very high	43 Å²	43	47.9 Å²	47.9	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-42.1	177.4	175.5	0	0	0	0	111.9	Y917 C923 W924 M925	Y917-V921 HydrophobicContact CD1-CG2 4.19Å; Y917-V921 HydrophobicContact CD2-CG2 4.35Å; Y917-V921 HydrophobicContact CE1-CG2 3.8Å; Y917-V921 HydrophobicContact CE2-CG2 4Å; Y917-V921 HydrophobicContact CG-CG2 4.45Å; Y917-V921 WeakPolarHBondContact O-CG2 3.44Å; Y917-V921 PolarHBondContact O-N 2.93Å; V921-C923 VanDerWaalsContact C-N 3.28Å; V921-C923 PolarHBondContact O-N 3.32Å; V921-W924 CarbonylContact O-C 3.49Å; V921-W924 PolarHBondContact O-N 2.94Å; V921-M925 PolarHBondContact O-N 2.94Å
922	K	96	Very high	94.2	Very high	93 Å²	93	47.8 Å²	47.8	40%	0.404	25%	0.253	S	S	.	.	H	α-helix	trans	-57	-38.5	171.3	-79.4	172.9	-176.3	177.5	0	112.3	M918 I919 M920 W924 M925 P932 D940	M918-K922 WeakPolarHBondContact O-CB 3.31Å; M918-K922 VanDerWaalsContact O-CG 3.23Å; M918-K922 WeakPolarHBondContact O-CG 3.47Å; M918-K922 PolarHBondContact O-N 2.86Å; I919-K922 PolarHBondContact O-N 3.03Å; M920-K922 PolarHBondContact O-N 3.12Å; K922-W924 VanDerWaalsContact C-N 3.26Å; K922-W924 PolarHBondContact O-N 3.47Å; K922-M925 WeakPolarHBondContact O-CG 3.4Å; K922-P932 HydrophobicContact CB-CG 4.14Å; K922-P932 WeakPolarHBondContact O-CD 3.37Å; K922-D940 IonicContact NZ-OD2 2.76Å
923	C	97.4	Very high	94.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-24.2	174.7	-66.8	0	0	0	0	113.2	V870 W871 I919 M920 V921 R931	V870-C923 HydrophobicContact CG1-CB 4.06Å; V870-C923 WeakPolarHBondContact O-CB 3.39Å; W871-C923 WeakPolarHBondContact CA-O 3.41Å; I919-C923 PolarHBondContact O-N 3.39Å; I919-C923 VanDerWaalsContact O-N 3.1Å; I919-C923 PolarHBondContact O-SG 3.01Å; M920-C923 WeakPolarHBondContact O-CA 3.5Å; M920-C923 WeakPolarHBondContact O-CB 3.28Å; M920-C923 PolarHBondContact O-N 3.2Å; M920-C923 VanDerWaalsContact O-N 3.08Å; V921-C923 VanDerWaalsContact C-N 3.28Å; V921-C923 PolarHBondContact O-N 3.32Å; C923-R931 WeakPolarHBondContact O-CD 3.42Å
924	W	96.9	Very high	94.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	22.2	-178	-51.3	-41.5	0	0	0	114.8	W871 G874 V875 W878 R905 L906 Y917 M920 V921 K922	W871-W924 HydrophobicContact CD2-CB 4.41Å; W871-W924 AromaticContact CD2-CD1 3.8Å; W871-W924 HydrophobicContact CD2-CG 4.48Å; W871-W924 AromaticContact CE2-CD1 3.86Å; W871-W924 HydrophobicContact CE3-CB 4.19Å; W871-W924 AromaticContact CG-CD1 3.91Å; W871-W924 HydrophobicContact CH2-CB 4.19Å; W871-W924 HydrophobicContact CZ2-CB 4.41Å; W871-W924 HydrophobicContact CZ3-CB 4.08Å; W871-W924 VanDerWaalsContact CZ3-O 3.25Å; W871-W924 WeakPolarHBondContact CZ3-O 3.48Å; W871-W924 PolarHBondContact O-NE1 3.17Å; G874-W924 VanDerWaalsContact C-CZ2 3.5Å; G874-W924 WeakPolarHBondContact O-CZ2 3.3Å; V875-W924 HydrophobicContact CG2-CZ2 4.36Å; W878-W924 HydrophobicContact CB-CH2 4.13Å; W878-W924 HydrophobicContact CB-CZ2 4.14Å; W878-W924 HydrophobicContact CG-CH2 4.31Å; R905-W924 HydrophobicContact CB-CE3 4.13Å; R905-W924 HydrophobicContact CG-CE3 4.43Å; R905-W924 PolarHBondContact NE-O 3.47Å; R905-W924 PolarHBondContact NH2-O 2.74Å; L906-W924 HydrophobicContact CB-CH2 3.69Å; L906-W924 HydrophobicContact CB-CZ2 4.33Å; L906-W924 HydrophobicContact CB-CZ3 4.05Å; L906-W924 HydrophobicContact CD1-CH2 4.08Å; L906-W924 HydrophobicContact CD1-CZ2 3.88Å; L906-W924 HydrophobicContact CG-CH2 4.39Å; Y917-W924 HydrophobicContact CE2-CZ3 4.2Å; M920-W924 HydrophobicContact CB-CE3 4.23Å; M920-W924 HydrophobicContact CB-CH2 3.58Å; M920-W924 HydrophobicContact CB-CZ2 3.97Å; M920-W924 HydrophobicContact CB-CZ3 3.73Å; M920-W924 HydrophobicContact CG-CH2 4.4Å; M920-W924 PolarHBondContact O-N 2.73Å; M920-W924 VanDerWaalsContact O-N 3.17Å; M920-W924 HydrophobicContact SD-CH2 4.21Å; V921-W924 CarbonylContact O-C 3.49Å; V921-W924 PolarHBondContact O-N 2.94Å; K922-W924 VanDerWaalsContact C-N 3.26Å; K922-W924 PolarHBondContact O-N 3.47Å
925	M	93.9	Very high	94.5	Very high	81 Å²	81	53.5 Å²	53.5	40%	0.399	27%	0.271	S	S	.	.			trans	-60.2	136.8	168	-67.4	-62.5	-68.3	0	0	110	V921 K922 R931	V921-M925 PolarHBondContact O-N 2.94Å; K922-M925 WeakPolarHBondContact O-CG 3.4Å; M925-R931 HydrophobicContact CB-CG 4.01Å; M925-R931 PolarHBondContact O-NE 2.94Å; M925-R931 PolarHBondContact O-NH2 3.42Å
926	I	88.9	Confident	94.7	Very high	80 Å²	80	53.2 Å²	53.2	41%	0.41	27%	0.27	S	S	.	.	S	Bend	trans	-59.4	-54.6	178	-67.9	-68.4	0	0	0	109.9	L856 P928 R931	L856-I926 HydrophobicContact CD2-CD1 3.79Å; I926-P928 WeakPolarHBondContact O-CD 3.25Å; I926-R931 PolarHBondContact O-NH2 3.09Å
927	D	90.3	Very high	94.9	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	27%	0.269	S	S	.	.	S	Bend	trans	-61.1	119.8	173.2	169.9	33.4	0	0	0	110.9	D929 S930	D927-D929 VanDerWaalsContact C-N 3.31Å; D927-D929 PolarHBondContact O-N 2.85Å; D927-D929 PolarHBondContact OD1-N 3.13Å; D927-D929 VanDerWaalsContact OD1-N 3.09Å; D927-S930 PolarHBondContact O-N 2.86Å; D927-S930 VanDerWaalsContact OD2-CB 3.25Å; D927-S930 WeakPolarHBondContact OD2-CB 3.34Å; D927-S930 PolarHBondContact OD2-N 3.11Å; D927-S930 PolarHBondContact OD2-OG 3.33Å
928	P	92.2	Very high	94.9	Very high	33 Å²	33	52.3 Å²	52.3	21%	0.214	27%	0.268	C	S	.	.	S	Bend	trans	-62.9	-32.8	177.3	-22	34.2	0	0	0	113.8	E857 Q867 I926 S930 R931	E857-P928 HydrophobicContact CG-CG 4.37Å; Q867-P928 HydrophobicContact CB-CB 3.8Å; Q867-P928 HydrophobicContact CG-CB 4.3Å; Q867-P928 WeakPolarHBondContact CG-O 3.18Å; Q867-P928 PolarHBondContact NE2-O 3.19Å; I926-P928 WeakPolarHBondContact O-CD 3.25Å; P928-S930 VanDerWaalsContact C-N 3.29Å; P928-S930 PolarHBondContact O-N 2.88Å; P928-R931 WeakPolarHBondContact O-CB 3.03Å; P928-R931 PolarHBondContact O-N 3.42Å
929	D	91.1	Very high	94.9	Very high	144 Å²	144	54.2 Å²	54.2	77%	0.77	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-20.1	-177.5	-70.9	-25.6	0	0	0	112.2	D927 R931	D927-D929 VanDerWaalsContact C-N 3.31Å; D927-D929 PolarHBondContact O-N 2.85Å; D927-D929 PolarHBondContact OD1-N 3.13Å; D927-D929 VanDerWaalsContact OD1-N 3.09Å; D929-R931 VanDerWaalsContact C-N 3.3Å
930	S	94.1	Very high	94.9	Very high	63 Å²	63	56.2 Å²	56.2	44%	0.441	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.7	169.8	-68.8	0	0	0	0	114.3	D927 P928	D927-S930 PolarHBondContact O-N 2.86Å; D927-S930 VanDerWaalsContact OD2-CB 3.25Å; D927-S930 WeakPolarHBondContact OD2-CB 3.34Å; D927-S930 PolarHBondContact OD2-N 3.11Å; D927-S930 PolarHBondContact OD2-OG 3.33Å; P928-S930 VanDerWaalsContact C-N 3.29Å; P928-S930 PolarHBondContact O-N 2.88Å
931	R	96.9	Very high	94.7	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.026	29%	0.287	C	S	.	.	S	Bend	trans	-86.1	141.6	177.8	-57.3	175	-163.5	154.8	11.3	110.8	E857 Q867 V870 C923 M925 I926 P928 D929	E857-R931 IonicContact OE1-CZ 2.75Å; E857-R931 IonicContact OE1-NH1 3.55Å; E857-R931 PolarHBondContact OE1-NH1 3.43Å; E857-R931 IonicContact OE1-NH2 2.62Å; E857-R931 PolarHBondContact OE1-NH2 3.26Å; E857-R931 IonicContact OE2-CZ 2.72Å; E857-R931 IonicContact OE2-NH1 3.94Å; E857-R931 IonicContact OE2-NH2 3.48Å; E857-R931 PolarHBondContact OE2-NH2 3.13Å; Q867-R931 PolarHBondContact NE2-O 2.76Å; Q867-R931 WeakPolarHBondContact O-CD 3.47Å; Q867-R931 PolarHBondContact O-NH1 3.21Å; V870-R931 HydrophobicContact CG1-CB 4.02Å; C923-R931 WeakPolarHBondContact O-CD 3.42Å; M925-R931 HydrophobicContact CB-CG 4.01Å; M925-R931 PolarHBondContact O-NE 2.94Å; M925-R931 PolarHBondContact O-NH2 3.42Å; I926-R931 PolarHBondContact O-NH2 3.09Å; P928-R931 WeakPolarHBondContact O-CB 3.03Å; P928-R931 PolarHBondContact O-N 3.42Å; D929-R931 VanDerWaalsContact C-N 3.3Å
932	P	96.6	Very high	94.7	Very high	21 Å²	21	55.4 Å²	55.4	14%	0.136	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66.9	150.3	178.5	29.7	-35.5	0	0	0	111.1	V870 K922 D936 L937	V870-P932 HydrophobicContact CG1-CG 4.47Å; V870-P932 WeakPolarHBondContact CG1-O 3.34Å; V870-P932 WeakPolarHBondContact CG2-O 3.11Å; K922-P932 HydrophobicContact CB-CG 4.14Å; K922-P932 WeakPolarHBondContact O-CD 3.37Å; P932-D936 HydrophobicContact CB-CB 4.25Å; P932-L937 HydrophobicContact CB-CD2 4.33Å; P932-L937 HydrophobicContact CB-CG 4.27Å; P932-L937 HydrophobicContact CG-CD1 4.39Å; P932-L937 HydrophobicContact CG-CD2 3.78Å; P932-L937 HydrophobicContact CG-CG 4.04Å
933	K	94.4	Very high	94.5	Very high	104 Å²	104	53.4 Å²	53.4	45%	0.452	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.5	162.9	173.9	-70.6	176.7	159.1	-80.2	0	110.9	E802 K935 D936 L937	E802-K933 IonicContact OE1-NZ 3.68Å; E802-K933 PolarHBondContact OE1-NZ 3.14Å; K933-K935 PolarHBondContact O-N 2.75Å; K933-D936 WeakPolarHBondContact CB-OD2 3.27Å; K933-D936 PolarHBondContact N-OD2 3.14Å; K933-D936 PolarHBondContact O-N 3.33Å; K933-L937 PolarHBondContact O-N 3.03Å
934	F	96.8	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-29.5	176.9	-76.7	-68.3	0	0	0	112.4	M798 N799 E802 D869 V870 Y873 D936 L937 V938	M798-F934 HydrophobicContact CB-CD1 3.43Å; M798-F934 VanDerWaalsContact CB-CD1 3.43Å; M798-F934 HydrophobicContact CB-CD2 3.86Å; M798-F934 HydrophobicContact CB-CE1 3.37Å; M798-F934 HydrophobicContact CB-CE2 3.8Å; M798-F934 HydrophobicContact CB-CG 3.67Å; M798-F934 HydrophobicContact CB-CZ 3.56Å; M798-F934 HydrophobicContact CE-CE2 4.05Å; M798-F934 HydrophobicContact CE-CZ 3.94Å; M798-F934 HydrophobicContact CG-CD1 4.32Å; M798-F934 HydrophobicContact CG-CE1 3.81Å; M798-F934 HydrophobicContact CG-CZ 3.92Å; N799-F934 HydrophobicContact CB-CB 3.86Å; E802-F934 HydrophobicContact CB-CD2 4.47Å; E802-F934 PolarHBondContact OE2-N 2.96Å; D869-F934 HydrophobicContact CB-CE2 4.01Å; D869-F934 HydrophobicContact CB-CZ 4.02Å; V870-F934 HydrophobicContact CB-CZ 4.34Å; V870-F934 HydrophobicContact CG2-CD1 4.47Å; V870-F934 HydrophobicContact CG2-CD2 3.9Å; V870-F934 HydrophobicContact CG2-CE1 4.16Å; V870-F934 HydrophobicContact CG2-CE2 3.54Å; V870-F934 HydrophobicContact CG2-CG 4.35Å; V870-F934 HydrophobicContact CG2-CZ 3.69Å; Y873-F934 HydrophobicContact CD1-CE1 4.41Å; Y873-F934 AromaticContact CD2-CE1 3.95Å; Y873-F934 HydrophobicContact CD2-CE1 3.95Å; Y873-F934 AromaticContact CG-CE1 3.76Å; Y873-F934 HydrophobicContact CG-CE1 3.76Å; F934-D936 PolarHBondContact O-N 3.05Å; F934-L937 HydrophobicContact CD1-CD1 3.98Å; F934-L937 HydrophobicContact CE1-CD1 4.27Å; F934-L937 PolarHBondContact O-N 3.17Å; F934-V938 WeakPolarHBondContact O-CB 3.5Å; F934-V938 VanDerWaalsContact O-CG2 3.27Å; F934-V938 WeakPolarHBondContact O-CG2 3.46Å; F934-V938 PolarHBondContact O-N 2.91Å
935	K	95.1	Very high	94	Very high	145 Å²	145	54.3 Å²	54.3	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-59.5	-43.8	172.7	-170.6	174.2	-179.9	175.6	0	113.2	N799 K933 V938 Q939	N799-K935 WeakPolarHBondContact OD1-CA 3.48Å; N799-K935 VanDerWaalsContact OD1-CB 3.27Å; N799-K935 WeakPolarHBondContact OD1-CB 3.44Å; N799-K935 PolarHBondContact OD1-N 2.78Å; K933-K935 PolarHBondContact O-N 2.75Å; K935-V938 PolarHBondContact O-N 3.02Å; K935-Q939 PolarHBondContact O-N 3.42Å; K935-Q939 VanDerWaalsContact O-N 3.11Å
936	D	95.6	Very high	93.8	Very high	72 Å²	72	60.2 Å²	60.2	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-71.2	-41.7	-179.3	-47.9	-43.4	0	0	0	109.9	P932 K933 F934 V938 Q939 D940	P932-D936 HydrophobicContact CB-CB 4.25Å; K933-D936 WeakPolarHBondContact CB-OD2 3.27Å; K933-D936 PolarHBondContact N-OD2 3.14Å; K933-D936 PolarHBondContact O-N 3.33Å; F934-D936 PolarHBondContact O-N 3.05Å; D936-V938 PolarHBondContact O-N 2.79Å; D936-Q939 WeakPolarHBondContact O-CB 3.4Å; D936-Q939 PolarHBondContact O-N 3.34Å; D936-Q939 VanDerWaalsContact O-N 3.1Å; D936-D940 PolarHBondContact O-N 3.06Å
937	L	96.9	Very high	93.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-43.3	173.6	-67.4	171	0	0	0	112	A795 V870 Y873 I919 P932 K933 F934 Q939 L941	A795-L937 HydrophobicContact CB-CB 4.49Å; V870-L937 HydrophobicContact CG1-CD1 4.21Å; Y873-L937 HydrophobicContact CD1-CD1 3.83Å; Y873-L937 HydrophobicContact CE1-CD1 4.05Å; I919-L937 HydrophobicContact CG2-CD2 3.6Å; P932-L937 HydrophobicContact CB-CD2 4.33Å; P932-L937 HydrophobicContact CB-CG 4.27Å; P932-L937 HydrophobicContact CG-CD1 4.39Å; P932-L937 HydrophobicContact CG-CD2 3.78Å; P932-L937 HydrophobicContact CG-CG 4.04Å; K933-L937 PolarHBondContact O-N 3.03Å; F934-L937 HydrophobicContact CD1-CD1 3.98Å; F934-L937 HydrophobicContact CE1-CD1 4.27Å; F934-L937 PolarHBondContact O-N 3.17Å; L937-Q939 VanDerWaalsContact C-N 3.28Å; L937-Q939 PolarHBondContact O-N 3.32Å; L937-L941 VanDerWaalsContact O-CB 3.3Å; L937-L941 WeakPolarHBondContact O-CB 3.47Å; L937-L941 WeakPolarHBondContact O-CD1 3.41Å; L937-L941 PolarHBondContact O-N 3.36Å
938	V	97.1	Very high	93.7	Very high	25 Å²	25	57 Å²	57	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-40.6	173.4	168.1	0	0	0	0	111	A795 K796 N799 F934 K935 D936 S942	A795-V938 HydrophobicContact CB-CG2 3.55Å; A795-V938 WeakPolarHBondContact O-CG2 3.29Å; K796-V938 HydrophobicContact CB-CG2 4.4Å; K796-V938 HydrophobicContact CG-CB 4.5Å; K796-V938 HydrophobicContact CG-CG1 3.83Å; K796-V938 HydrophobicContact CG-CG2 3.73Å; N799-V938 HydrophobicContact CB-CG2 4.45Å; F934-V938 WeakPolarHBondContact O-CB 3.5Å; F934-V938 VanDerWaalsContact O-CG2 3.27Å; F934-V938 WeakPolarHBondContact O-CG2 3.46Å; F934-V938 PolarHBondContact O-N 2.91Å; K935-V938 PolarHBondContact O-N 3.02Å; D936-V938 PolarHBondContact O-N 2.79Å; V938-S942 WeakPolarHBondContact O-CB 3.25Å; V938-S942 PolarHBondContact O-N 2.78Å; V938-S942 PolarHBondContact O-OG 3.32Å
939	Q	94.9	Very high	93.4	Very high	137 Å²	137	59 Å²	59	64%	0.64	31%	0.307	S	S	*	.	H	α-helix	trans	-67.9	-53.9	178.5	-179.3	172.7	-45.2	0	0	112.1	K935 D936 L937 L941 S942 A943	K935-Q939 PolarHBondContact O-N 3.42Å; K935-Q939 VanDerWaalsContact O-N 3.11Å; D936-Q939 WeakPolarHBondContact O-CB 3.4Å; D936-Q939 PolarHBondContact O-N 3.34Å; D936-Q939 VanDerWaalsContact O-N 3.1Å; L937-Q939 VanDerWaalsContact C-N 3.28Å; L937-Q939 PolarHBondContact O-N 3.32Å; Q939-L941 PolarHBondContact O-N 2.99Å; Q939-S942 PolarHBondContact O-N 3.36Å; Q939-A943 PolarHBondContact O-N 2.88Å
940	D	94.5	Very high	93.3	Very high	56 Å²	56	59.2 Å²	59.2	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-47.9	-178.4	-82.3	1.5	0	0	0	111	I919 K922 D936 A943 M944	I919-D940 HydrophobicContact CD1-CB 3.95Å; K922-D940 IonicContact NZ-OD2 2.76Å; D936-D940 PolarHBondContact O-N 3.06Å; D940-A943 WeakPolarHBondContact O-CB 3.45Å; D940-A943 PolarHBondContact O-N 3.3Å; D940-A943 VanDerWaalsContact O-N 3.16Å; D940-M944 PolarHBondContact O-N 3.02Å; D940-M944 VanDerWaalsContact O-N 3.08Å
941	L	93.9	Very high	93.2	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-33.2	179.2	-70.9	154.6	0	0	0	112.5	L788 C791 V792 Y873 L937 Q939 A943 M944 A945	L788-L941 HydrophobicContact CD2-CD2 4.25Å; C791-L941 HydrophobicContact CB-CD1 4.3Å; C791-L941 HydrophobicContact CB-CD2 4.06Å; V792-L941 VanDerWaalsContact CG2-C 3.42Å; V792-L941 HydrophobicContact CG2-CB 3.58Å; V792-L941 WeakPolarHBondContact CG2-O 3.43Å; Y873-L941 HydrophobicContact CE1-CD1 4.13Å; Y873-L941 WeakPolarHBondContact OH-CD1 3.29Å; L937-L941 VanDerWaalsContact O-CB 3.3Å; L937-L941 WeakPolarHBondContact O-CB 3.47Å; L937-L941 WeakPolarHBondContact O-CD1 3.41Å; L937-L941 PolarHBondContact O-N 3.36Å; Q939-L941 PolarHBondContact O-N 2.99Å; L941-A943 PolarHBondContact O-N 3.3Å; L941-M944 HydrophobicContact CB-CE 4.47Å; L941-M944 HydrophobicContact CD2-CE 3.56Å; L941-M944 HydrophobicContact CG-CE 3.94Å; L941-M944 PolarHBondContact O-N 2.83Å; L941-A945 WeakPolarHBondContact O-CB 3.42Å; L941-A945 PolarHBondContact O-N 3.16Å
942	S	94.5	Very high	92.9	Very high	26 Å²	26	57.6 Å²	57.6	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-73.8	-10.9	172.7	-58.9	0	0	0	0	113.5	V792 V938 Q939 R946	V792-S942 WeakPolarHBondContact CG1-OG 3.29Å; V938-S942 WeakPolarHBondContact O-CB 3.25Å; V938-S942 PolarHBondContact O-N 2.78Å; V938-S942 PolarHBondContact O-OG 3.32Å; Q939-S942 PolarHBondContact O-N 3.36Å; S942-R946 WeakPolarHBondContact O-CG 3.47Å; S942-R946 PolarHBondContact O-NE 2.72Å
943	A	92.7	Very high	92.5	Very high	50 Å²	50	61.5 Å²	61.5	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-84.4	-48.3	167.8	0	0	0	0	0	110.6	Q939 D940 L941 A945 R946	Q939-A943 PolarHBondContact O-N 2.88Å; D940-A943 WeakPolarHBondContact O-CB 3.45Å; D940-A943 PolarHBondContact O-N 3.3Å; D940-A943 VanDerWaalsContact O-N 3.16Å; L941-A943 PolarHBondContact O-N 3.3Å; A943-A945 PolarHBondContact O-N 3.4Å; A943-R946 WeakPolarHBondContact O-CB 3.46Å; A943-R946 PolarHBondContact O-N 3.26Å
944	M	93.1	Very high	92.1	Very high	10 Å²	10	58 Å²	58	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-36.9	178.5	-64.8	-176.1	-67.5	0	0	112.9	L788 V916 I919 D940 L941 R946 D947 Y951	L788-M944 HydrophobicContact CD1-CB 4.32Å; V916-M944 HydrophobicContact CG2-SD 3.95Å; I919-M944 HydrophobicContact CD1-CE 3.26Å; I919-M944 HydrophobicContact CD1-SD 4.04Å; D940-M944 PolarHBondContact O-N 3.02Å; D940-M944 VanDerWaalsContact O-N 3.08Å; L941-M944 HydrophobicContact CB-CE 4.47Å; L941-M944 HydrophobicContact CD2-CE 3.56Å; L941-M944 HydrophobicContact CG-CE 3.94Å; L941-M944 PolarHBondContact O-N 2.83Å; M944-R946 PolarHBondContact O-N 3.34Å; M944-D947 CarbonylContact O-C 3.39Å; M944-D947 PolarHBondContact O-N 2.93Å; M944-Y951 HydrophobicContact CB-CD1 4.36Å; M944-Y951 HydrophobicContact CB-CD2 3.57Å; M944-Y951 HydrophobicContact CB-CE2 3.92Å; M944-Y951 HydrophobicContact CB-CG 3.82Å; M944-Y951 HydrophobicContact CG-CD1 3.76Å; M944-Y951 HydrophobicContact CG-CD2 3.78Å; M944-Y951 HydrophobicContact CG-CE1 3.81Å; M944-Y951 HydrophobicContact CG-CE2 3.83Å; M944-Y951 HydrophobicContact CG-CG 3.76Å; M944-Y951 HydrophobicContact SD-CD1 3.72Å; M944-Y951 HydrophobicContact SD-CE1 4.12Å; M944-Y951 HydrophobicContact SD-CG 4.01Å
945	A	89.9	Confident	91	Very high	13 Å²	13	66 Å²	66	11%	0.107	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-1.2	176.6	0	0	0	0	0	114.8	Q785 L788 V792 L941 A943	Q785-A945 PolarHBondContact NE2-O 3.44Å; L788-A945 HydrophobicContact CB-CB 3.96Å; V792-A945 HydrophobicContact CG2-CB 4.27Å; L941-A945 WeakPolarHBondContact O-CB 3.42Å; L941-A945 PolarHBondContact O-N 3.16Å; A943-A945 PolarHBondContact O-N 3.4Å
946	R	90.3	Very high	89.8	Confident	205 Å²	205	64 Å²	64	77%	0.774	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-17.8	172.9	-55.5	174.1	-170.5	-166.1	-2.9	113.5	S942 A943 M944	S942-R946 WeakPolarHBondContact O-CG 3.47Å; S942-R946 PolarHBondContact O-NE 2.72Å; A943-R946 WeakPolarHBondContact O-CB 3.46Å; A943-R946 PolarHBondContact O-N 3.26Å; M944-R946 PolarHBondContact O-N 3.34Å
947	D	88.8	Confident	88.8	Confident	69 Å²	69	61.5 Å²	61.5	37%	0.369	31%	0.311	S	S	.	.	S	Bend	trans	-141.3	60	-179.5	-177.4	16.1	0	0	0	109.3	M944 S949 R950 Y951	M944-D947 CarbonylContact O-C 3.39Å; M944-D947 PolarHBondContact O-N 2.93Å; D947-S949 PolarHBondContact O-N 3.21Å; D947-R950 WeakPolarHBondContact O-CB 3.45Å; D947-R950 PolarHBondContact O-N 2.62Å; D947-R950 VanDerWaalsContact O-N 3.16Å; D947-R950 WeakPolarHBondContact OD2-CB 3.37Å; D947-R950 WeakPolarHBondContact OD2-CD 3.46Å; D947-Y951 HydrophobicContact CB-CE2 4.35Å; D947-Y951 VanDerWaalsContact O-CD2 3.24Å; D947-Y951 WeakPolarHBondContact O-CD2 3.23Å
948	P	87.6	Confident	87.2	Confident	13 Å²	13	68.5 Å²	68.5	8%	0.084	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-39.1	-163.5	-28.1	39.3	0	0	0	114.7	S784 Q785 L788 R950 Y951 L952	S784-P948 WeakPolarHBondContact OG-CB 3.5Å; Q785-P948 HydrophobicContact CB-CB 4.41Å; Q785-P948 HydrophobicContact CB-CG 4.01Å; Q785-P948 HydrophobicContact CG-CG 4.4Å; L788-P948 HydrophobicContact CD1-CB 3.92Å; L788-P948 HydrophobicContact CD1-CG 4.47Å; P948-R950 PolarHBondContact O-N 3.27Å; P948-Y951 PolarHBondContact O-N 3.16Å; P948-L952 PolarHBondContact O-N 3.04Å
949	S	85.6	Confident	85.3	Confident	75 Å²	75	75.1 Å²	75.1	52%	0.524	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-16.6	-178.9	47.5	0	0	0	0	114.1	D947	D947-S949 PolarHBondContact O-N 3.21Å
950	R	89.8	Confident	83.7	Confident	149 Å²	149	70.5 Å²	70.5	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-76.5	-26.3	170.2	175.4	177.7	171.5	171.5	-1.4	112.7	T913 D947 P948	T913-R950 VanDerWaalsContact CG2-O 3.27Å; T913-R950 WeakPolarHBondContact CG2-O 3.36Å; D947-R950 WeakPolarHBondContact O-CB 3.45Å; D947-R950 PolarHBondContact O-N 2.62Å; D947-R950 VanDerWaalsContact O-N 3.16Å; D947-R950 WeakPolarHBondContact OD2-CB 3.37Å; D947-R950 WeakPolarHBondContact OD2-CD 3.46Å; P948-R950 PolarHBondContact O-N 3.27Å
951	Y	91.3	Very high	81.4	Confident	36 Å²	36	71.1 Å²	71.1	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-109.8	-26.5	-170.5	-64.3	-70.7	0	0	0	113.2	T913 D915 V916 M944 D947 P948	T913-Y951 PolarHBondContact N-O 3.35Å; T913-Y951 PolarHBondContact OG1-O 2.96Å; D915-Y951 HydrophobicContact CB-CD1 3.95Å; D915-Y951 HydrophobicContact CB-CE1 4.04Å; V916-Y951 WeakPolarHBondContact CG2-O 3.42Å; M944-Y951 HydrophobicContact CB-CD1 4.36Å; M944-Y951 HydrophobicContact CB-CD2 3.57Å; M944-Y951 HydrophobicContact CB-CE2 3.92Å; M944-Y951 HydrophobicContact CB-CG 3.82Å; M944-Y951 HydrophobicContact CG-CD1 3.76Å; M944-Y951 HydrophobicContact CG-CD2 3.78Å; M944-Y951 HydrophobicContact CG-CE1 3.81Å; M944-Y951 HydrophobicContact CG-CE2 3.83Å; M944-Y951 HydrophobicContact CG-CG 3.76Å; M944-Y951 HydrophobicContact SD-CD1 3.72Å; M944-Y951 HydrophobicContact SD-CE1 4.12Å; M944-Y951 HydrophobicContact SD-CG 4.01Å; D947-Y951 HydrophobicContact CB-CE2 4.35Å; D947-Y951 VanDerWaalsContact O-CD2 3.24Å; D947-Y951 WeakPolarHBondContact O-CD2 3.23Å; P948-Y951 PolarHBondContact O-N 3.16Å
952	L	91.6	Very high	79.3	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.005	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-126	128.9	172.3	-57.9	178.4	0	0	0	110.6	L787 L788 M881 I911 C912 V916 P948	L787-L952 HydrophobicContact CB-CD1 3.95Å; L787-L952 HydrophobicContact CD1-CD1 4.09Å; L788-L952 HydrophobicContact CD1-CD1 4.34Å; L788-L952 HydrophobicContact CD1-CG 4.49Å; L788-L952 HydrophobicContact CD2-CD1 4.15Å; L788-L952 HydrophobicContact CD2-CG 4.45Å; L788-L952 HydrophobicContact CG-CD1 3.8Å; L788-L952 HydrophobicContact CG-CG 4.35Å; M881-L952 HydrophobicContact CE-CD1 3.97Å; M881-L952 HydrophobicContact CE-CD2 4.07Å; M881-L952 HydrophobicContact SD-CD1 3.76Å; M881-L952 HydrophobicContact SD-CD2 3.6Å; M881-L952 VanDerWaalsContact SD-CD2 3.6Å; M881-L952 HydrophobicContact SD-CG 4.36Å; I911-L952 HydrophobicContact CD1-CD2 4.46Å; I911-L952 HydrophobicContact CG1-CD2 4.4Å; I911-L952 CarbonylContact O-C 3.22Å; I911-L952 VanDerWaalsContact O-CA 3.23Å; I911-L952 WeakPolarHBondContact O-CA 3.5Å; C912-L952 HydrophobicContact CB-CD2 4.43Å; V916-L952 HydrophobicContact CG1-CD2 4.43Å; V916-L952 HydrophobicContact CG2-CD2 4.29Å; P948-L952 PolarHBondContact O-N 3.04Å
953	V	88.1	Confident	77.1	Confident	102 Å²	102	74.9 Å²	74.9	62%	0.618	39%	0.392	S	S	*	.			trans	-102.6	102.4	179.3	-176.4	0	0	0	0	109	I911	I911-V953 PolarHBondContact O-N 3.48Å
954	I	85.4	Confident	74.9	Confident	32 Å²	32	75.7 Å²	75.7	16%	0.164	39%	0.394	C	S	.	.			trans	-121.7	139.4	179.7	-60.7	-178.8	0	0	0	109.2	L787 F883 I911 D957	L787-I954 HydrophobicContact CD1-CD1 3.96Å; F883-I954 HydrophobicContact CZ-CD1 4.4Å; I911-I954 HydrophobicContact CB-CG1 4.31Å; I911-I954 HydrophobicContact CD1-CD1 4.22Å; I911-I954 HydrophobicContact CD1-CG1 4.43Å; I911-I954 HydrophobicContact CG2-CG1 4.25Å; I954-D957 HydrophobicContact CB-CB 4.25Å
955	Q	74.4	Confident	72.7	Confident	168 Å²	168	80 Å²	80	79%	0.785	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	131.9	178.8	-63.6	-177.2	3.6	0	0	110.5	D957	Q955-D957 VanDerWaalsContact C-N 3.3Å; Q955-D957 PolarHBondContact O-N 2.98Å
956	N	69.3	Low	70.6	Confident	103 Å²	103	80.7 Å²	80.7	55%	0.551	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	26.6	-176.7	-47.8	-59.9	0	0	0	115.1	D958 Q959 M960	N956-D958 PolarHBondContact O-N 3.4Å; N956-Q959 PolarHBondContact O-N 3.08Å; N956-M960 HydrophobicContact CB-CE 4.5Å; N956-M960 PolarHBondContact O-N 3.37Å
957	D	73.9	Confident	68.6	Low	18 Å²	18	75.4 Å²	75.4	10%	0.096	41%	0.413	C	S	.	.	H	α-helix	trans	-54.9	-34.2	-178.9	-161.4	38.5	0	0	0	113.4	G783 S784 I954 Q955 Q959 M960 S961	G783-D957 WeakPolarHBondContact CA-OD1 3.47Å; S784-D957 VanDerWaalsContact CB-OD2 3.28Å; S784-D957 WeakPolarHBondContact CB-OD2 3.4Å; S784-D957 PolarHBondContact N-OD1 3.07Å; S784-D957 VanDerWaalsContact OG-CG 3.31Å; S784-D957 PolarHBondContact OG-OD1 3.24Å; S784-D957 PolarHBondContact OG-OD2 3.46Å; I954-D957 HydrophobicContact CB-CB 4.25Å; Q955-D957 VanDerWaalsContact C-N 3.3Å; Q955-D957 PolarHBondContact O-N 2.98Å; D957-Q959 PolarHBondContact O-N 3.41Å; D957-M960 CarbonylContact O-C 3.58Å; D957-M960 PolarHBondContact O-N 3.16Å; D957-S961 PolarHBondContact O-N 3.04Å; D957-S961 PolarHBondContact O-OG 3.18Å
958	D	63.5	Low	66.6	Low	149 Å²	149	72.3 Å²	72.3	80%	0.797	40%	0.397	S	S	*	.	H	α-helix	trans	-61	-22.8	173.8	-63.4	-45.3	0	0	0	114.2	N956 S961	N956-D958 PolarHBondContact O-N 3.4Å; D958-S961 VanDerWaalsContact CA-OG 3.25Å; D958-S961 WeakPolarHBondContact CA-OG 3.49Å; D958-S961 PolarHBondContact O-OG 2.9Å
959	Q	57.8	Low	64.7	Low	163 Å²	163	76.9 Å²	76.9	76%	0.762	42%	0.417	S	S	*	.	H	α-helix	trans	-95.7	-13	175.7	-58.4	-175.6	30.3	0	0	112	N956 D957	N956-Q959 PolarHBondContact O-N 3.08Å; D957-Q959 PolarHBondContact O-N 3.41Å
960	M	61	Low	62.9	Low	40 Å²	40	73.4 Å²	73.4	20%	0.197	39%	0.393	C	S	.	.	H	α-helix	trans	-104.7	1	178.2	-56.8	-171.3	-169.9	0	0	113	D780 N956 D957 S962	D780-M960 VanDerWaalsContact O-CE 3.23Å; D780-M960 WeakPolarHBondContact O-CE 3.34Å; N956-M960 HydrophobicContact CB-CE 4.5Å; N956-M960 PolarHBondContact O-N 3.37Å; D957-M960 CarbonylContact O-C 3.58Å; D957-M960 PolarHBondContact O-N 3.16Å; M960-S962 PolarHBondContact O-N 3Å
961	S	47.9	Very low	60.8	Low	70 Å²	70	70 Å²	70	49%	0.49	38%	0.38	S	S	.	.			trans	-67.8	-7.5	-168.9	-30	0	0	0	0	115	D957 D958	D957-S961 PolarHBondContact O-N 3.04Å; D957-S961 PolarHBondContact O-OG 3.18Å; D958-S961 VanDerWaalsContact CA-OG 3.25Å; D958-S961 WeakPolarHBondContact CA-OG 3.49Å; D958-S961 PolarHBondContact O-OG 2.9Å
962	S	48.9	Very low	58.7	Low	85 Å²	85	72.4 Å²	72.4	59%	0.594	39%	0.389	S	S	*	.	S	Bend	trans	-103.2	118.4	165.8	63.7	0	0	0	0	110.3	M960 S964	M960-S962 PolarHBondContact O-N 3Å; S962-S964 PolarHBondContact O-N 2.63Å
963	C	47.2	Very low	56.8	Low	21 Å²	21	74.9 Å²	74.9	14%	0.142	40%	0.401	C	S	.	.			trans	-67.9	72.4	162.3	-109	0	0	0	0	109.5	C786 P821 N822	C786-C963 WeakPolarHBondContact CB-SG 3.4Å; C786-C963 WeakPolarHBondContact SG-CB 3.34Å; C786-C963 CovalentContact SG-SG 2.04Å; C786-C963 PolarHBondContact SG-SG 2.96Å; P821-C963 HydrophobicContact CB-CB 4.13Å; N822-C963 VanDerWaalsContact OD1-CB 3.22Å; N822-C963 WeakPolarHBondContact OD1-CB 3.35Å
964	S	47.2	Very low	54.9	Low	67 Å²	67	70.7 Å²	70.7	47%	0.469	38%	0.375	S	S	.	.			trans	-60.2	147.3	176.5	-171.6	0	0	0	0	109.9	S962 V966	S962-S964 PolarHBondContact O-N 2.63Å; S964-V966 WeakPolarHBondContact O-CG2 3.35Å; S964-V966 PolarHBondContact O-N 3.28Å
965	P	47	Very low	52.8	Low	101 Å²	101	73.2 Å²	73.2	66%	0.656	39%	0.389	S	S	*	.			trans	-62.4	96	171.8	26.6	-34.6	0	0	0	110
966	V	46.8	Very low	51.5	Low	27 Å²	27	68.8 Å²	68.8	16%	0.164	37%	0.368	C	S	.	.			trans	-72.4	129.3	176.8	-168.7	0	0	0	0	108.7	N778 S964 S968	N778-V966 WeakPolarHBondContact OD1-CG1 3.01Å; S964-V966 WeakPolarHBondContact O-CG2 3.35Å; S964-V966 PolarHBondContact O-N 3.28Å; V966-S968 PolarHBondContact O-N 3Å
967	D	47.7	Very low	50.4	Low	95 Å²	95	69.4 Å²	69.4	51%	0.508	37%	0.368	S	S	.	.			trans	-70.3	73.3	174.1	-164.5	26.1	0	0	0	109.7	Q969 R972	D967-Q969 PolarHBondContact O-N 3.1Å; D967-R972 IonicContact OD2-CZ 3.18Å; D967-R972 IonicContact OD2-NE 3.24Å; D967-R972 PolarHBondContact OD2-NE 3.24Å; D967-R972 IonicContact OD2-NH2 3.47Å
968	S	47	Very low	48.8	Very low	4 Å²	4	70.3 Å²	70.3	3%	0.028	38%	0.381	C	S	.	.			trans	-60.8	136.5	178.6	171.2	0	0	0	0	109.1	V966 F970 Y971 R972	V966-S968 PolarHBondContact O-N 3Å; S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.13Å; S968-F970 PolarHBondContact OG-N 3.4Å; S968-F970 VanDerWaalsContact OG-N 3.11Å; S968-Y971 WeakPolarHBondContact O-CA 3.4Å; S968-Y971 WeakPolarHBondContact O-CB 2.97Å; S968-Y971 PolarHBondContact O-N 3Å; S968-R972 PolarHBondContact O-N 3.27Å
969	Q	48.1	Very low	47.6	Very low	108 Å²	108	72.8 Å²	72.8	51%	0.505	39%	0.388	S	S	.	.	H	α-helix	trans	-49.3	-38.6	168.9	-89.4	-176.7	-2.8	0	0	111.6	D967 Y971 R972 M973 S1094 P1095	D967-Q969 PolarHBondContact O-N 3.1Å; Q969-Y971 VanDerWaalsContact C-N 3.34Å; Q969-Y971 PolarHBondContact O-N 3.11Å; Q969-R972 PolarHBondContact O-N 3.47Å; Q969-M973 PolarHBondContact O-N 3.46Å; Q969-S1094 VanDerWaalsContact CB-O 3.25Å; Q969-S1094 WeakPolarHBondContact CB-O 3.35Å; Q969-S1094 WeakPolarHBondContact CG-O 3.16Å; Q969-P1095 VanDerWaalsContact O-CA 3.22Å; Q969-P1095 WeakPolarHBondContact O-CA 3.33Å; Q969-P1095 WeakPolarHBondContact O-CB 3.42Å
970	F	46.1	Very low	47.1	Very low	3 Å²	3	70.8 Å²	70.8	1%	0.013	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-36.7	176.5	-170.4	-105.4	0	0	0	113.5	L691 P767 S968 L974 P1095 G1096 Y1098	L691-F970 HydrophobicContact CD2-CE2 3.95Å; L691-F970 HydrophobicContact CD2-CZ 3.84Å; P767-F970 WeakPolarHBondContact O-CD1 3.42Å; S968-F970 PolarHBondContact O-N 2.85Å; S968-F970 VanDerWaalsContact O-N 3.13Å; S968-F970 PolarHBondContact OG-N 3.4Å; S968-F970 VanDerWaalsContact OG-N 3.11Å; F970-L974 HydrophobicContact CD1-CD1 4.06Å; F970-L974 HydrophobicContact CE1-CD1 3.53Å; F970-L974 HydrophobicContact CZ-CD1 3.91Å; F970-L974 WeakPolarHBondContact O-CB 3.24Å; F970-P1095 HydrophobicContact CD2-CB 4.02Å; F970-G1096 WeakPolarHBondContact CD2-O 3.46Å; F970-Y1098 HydrophobicContact CE1-CD2 4.06Å; F970-Y1098 AromaticContact CE1-CE2 3.87Å; F970-Y1098 HydrophobicContact CE1-CE2 3.87Å; F970-Y1098 HydrophobicContact CE2-CD2 4.33Å; F970-Y1098 AromaticContact CZ-CD2 3.57Å; F970-Y1098 HydrophobicContact CZ-CD2 3.57Å; F970-Y1098 AromaticContact CZ-CE2 3.63Å; F970-Y1098 HydrophobicContact CZ-CE2 3.63Å
971	Y	46.5	Very low	46.3	Very low	76 Å²	76	72.3 Å²	72.3	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-73.3	-42.5	178.3	-173.5	-111.9	0	0	0	112.1	P767 Y768 S968 Q969 L974 L975	P767-Y971 HydrophobicContact CB-CD2 4.08Å; P767-Y971 HydrophobicContact CB-CE2 4.34Å; Y768-Y971 HydrophobicContact CE1-CD2 4.28Å; Y768-Y971 HydrophobicContact CE1-CG 4.22Å; Y768-Y971 HydrophobicContact CE2-CD2 4.08Å; Y768-Y971 HydrophobicContact CE2-CE2 4.27Å; Y768-Y971 AromaticContact CZ-CD2 3.85Å; S968-Y971 WeakPolarHBondContact O-CA 3.4Å; S968-Y971 WeakPolarHBondContact O-CB 2.97Å; S968-Y971 PolarHBondContact O-N 3Å; Q969-Y971 VanDerWaalsContact C-N 3.34Å; Q969-Y971 PolarHBondContact O-N 3.11Å; Y971-L974 WeakPolarHBondContact O-CA 3.18Å; Y971-L974 WeakPolarHBondContact O-CB 3.4Å; Y971-L974 PolarHBondContact O-N 2.9Å; Y971-L975 HydrophobicContact CD1-CD1 3.97Å; Y971-L975 HydrophobicContact CE1-CD1 3.51Å; Y971-L975 HydrophobicContact CE1-CG 4.49Å; Y971-L975 HydrophobicContact CE2-CD1 4.49Å; Y971-L975 PolarHBondContact O-N 3.48Å
972	R	48	Very low	46.2	Very low	88 Å²	88	72.7 Å²	72.7	33%	0.332	41%	0.405	S	S	.	.	H	α-helix	trans	-56.7	-59.7	-178.3	-126.3	175.6	-176.2	-140.8	-8.8	112.5	D967 S968 Q969 L974 L975 E976 P1092 S1093	D967-R972 IonicContact OD2-CZ 3.18Å; D967-R972 IonicContact OD2-NE 3.24Å; D967-R972 PolarHBondContact OD2-NE 3.24Å; D967-R972 IonicContact OD2-NH2 3.47Å; S968-R972 PolarHBondContact O-N 3.27Å; Q969-R972 PolarHBondContact O-N 3.47Å; R972-L974 PolarHBondContact O-N 3.06Å; R972-L975 PolarHBondContact O-N 2.75Å; R972-E976 WeakPolarHBondContact CB-OE1 3.42Å; R972-E976 WeakPolarHBondContact O-CG 3.3Å; R972-E976 PolarHBondContact O-N 3.44Å; R972-P1092 HydrophobicContact CG-CB 4.08Å; R972-S1093 WeakPolarHBondContact CD-OG 3.03Å; R972-S1093 PolarHBondContact NH1-OG 3.48Å
973	M	50.8	Low	46.3	Very low	53 Å²	53	75 Å²	75	26%	0.261	41%	0.411	S	S	.	.	H	α-helix	trans	-77.4	14.9	174.9	-159.1	-113	-126.2	0	0	113.6	R689 Q969 E976 P1095	R689-M973 VanDerWaalsContact CZ-SD 3.58Å; R689-M973 PolarHBondContact NH2-O 3.34Å; R689-M973 PolarHBondContact NH2-SD 2.97Å; Q969-M973 PolarHBondContact O-N 3.46Å; M973-E976 PolarHBondContact N-OE1 3.28Å; M973-P1095 HydrophobicContact CB-CB 3.96Å; M973-P1095 HydrophobicContact CB-CG 3.85Å; M973-P1095 HydrophobicContact CE-CG 4.19Å; M973-P1095 HydrophobicContact CG-CG 4.23Å; M973-P1095 VanDerWaalsContact SD-CD 3.54Å; M973-P1095 HydrophobicContact SD-CG 3.55Å; M973-P1095 VanDerWaalsContact SD-CG 3.55Å
974	L	47.8	Very low	46.9	Very low	13 Å²	13	77.3 Å²	77.3	7%	0.068	42%	0.421	C	S	.	.	H	α-helix	trans	-94.3	-30.9	162.3	-130.5	153.7	0	0	0	111.3	L765 P767 F970 Y971 R972	L765-L974 HydrophobicContact CD2-CD2 3.84Å; P767-L974 HydrophobicContact CB-CD1 4.21Å; F970-L974 HydrophobicContact CD1-CD1 4.06Å; F970-L974 HydrophobicContact CE1-CD1 3.53Å; F970-L974 HydrophobicContact CZ-CD1 3.91Å; F970-L974 WeakPolarHBondContact O-CB 3.24Å; Y971-L974 WeakPolarHBondContact O-CA 3.18Å; Y971-L974 WeakPolarHBondContact O-CB 3.4Å; Y971-L974 PolarHBondContact O-N 2.9Å; R972-L974 PolarHBondContact O-N 3.06Å
975	L	42.2	Very low	47.8	Very low	85 Å²	85	76.6 Å²	76.6	45%	0.445	41%	0.41	S	S	.	.	H	α-helix	trans	-89.8	-31.4	176.7	-65.6	175.2	0	0	0	113.8	Y971 R972 E977 M981	Y971-L975 HydrophobicContact CD1-CD1 3.97Å; Y971-L975 HydrophobicContact CE1-CD1 3.51Å; Y971-L975 HydrophobicContact CE1-CG 4.49Å; Y971-L975 HydrophobicContact CE2-CD1 4.49Å; Y971-L975 PolarHBondContact O-N 3.48Å; R972-L975 PolarHBondContact O-N 2.75Å; L975-E977 PolarHBondContact O-N 2.96Å; L975-E977 VanDerWaalsContact O-N 3.08Å; L975-M981 HydrophobicContact CD2-CE 3.99Å
976	E	46.2	Very low	48.9	Very low	76 Å²	76	74.3 Å²	74.3	36%	0.355	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.9	-176.6	-75.3	164.5	-126.9	0	0	115	R972 M973 P1092 S1093	R972-E976 WeakPolarHBondContact CB-OE1 3.42Å; R972-E976 WeakPolarHBondContact O-CG 3.3Å; R972-E976 PolarHBondContact O-N 3.44Å; M973-E976 PolarHBondContact N-OE1 3.28Å; E976-P1092 HydrophobicContact CG-CB 4.23Å; E976-P1092 HydrophobicContact CG-CG 3.68Å; E976-P1092 WeakPolarHBondContact OE1-CB 3.27Å; E976-S1093 PolarHBondContact OE1-N 3.37Å; E976-S1093 VanDerWaalsContact OE1-N 3.09Å; E976-S1093 PolarHBondContact OE2-N 3.08Å
977	E	45.9	Very low	49.9	Very low	116 Å²	116	73 Å²	73	54%	0.542	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	37.9	-175.4	-60	-176.1	121.1	0	0	113.8	R689 K701 L975	R689-E977 IonicContact NE-OE2 2.73Å; R689-E977 PolarHBondContact NE-OE2 2.9Å; K701-E977 IonicContact NZ-OE2 2.6Å; K701-E977 PolarHBondContact NZ-OE2 2.96Å; L975-E977 PolarHBondContact O-N 2.96Å; L975-E977 VanDerWaalsContact O-N 3.08Å
978	G	40.5	Very low	50.7	Low	37 Å²	37	72.2 Å²	72.2	38%	0.381	38%	0.378	S	S	.	.			trans	-177.7	102.5	173.9	0	0	0	0	0	120	N980 M981	G978-N980 PolarHBondContact O-N 3.46Å; G978-M981 PolarHBondContact O-N 3.23Å
979	E	38.3	Very low	51.8	Low	201 Å²	201	77.5 Å²	77.5	94%	0.939	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	64.5	149.4	-67.7	-170.2	131.1	0	0	110.8
980	N	47.1	Very low	52.8	Low	121 Å²	121	73.8 Å²	73.8	65%	0.647	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	177.9	19.1	159.1	-99.3	0.3	0	0	0	114.1	G978 G982 D983	G978-N980 PolarHBondContact O-N 3.46Å; N980-G982 PolarHBondContact O-N 3.28Å; N980-G982 VanDerWaalsContact O-N 3.09Å; N980-D983 PolarHBondContact O-N 3.23Å
981	M	45.4	Very low	53.7	Low	71 Å²	71	75.6 Å²	75.6	35%	0.35	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-66.3	-7.2	176.8	-74.2	-95.8	-79	0	0	114.3	L975 G978 M984	L975-M981 HydrophobicContact CD2-CE 3.99Å; G978-M981 PolarHBondContact O-N 3.23Å; M981-M984 HydrophobicContact CG-SD 4.49Å; M981-M984 HydrophobicContact SD-CE 4.25Å; M981-M984 HydrophobicContact SD-SD 3.66Å; M981-M984 VanDerWaalsContact SD-SD 3.66Å
982	G	45.2	Very low	54.2	Low	79 Å²	79	76.4 Å²	76.4	81%	0.814	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-71.7	-22.2	177.3	0	0	0	0	0	115.2	N980	N980-G982 PolarHBondContact O-N 3.28Å; N980-G982 VanDerWaalsContact O-N 3.09Å
983	D	51.6	Low	54.2	Low	134 Å²	134	76.7 Å²	76.7	72%	0.717	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-101.4	12.9	-179.3	-68.4	-29.3	0	0	0	113	N980	N980-D983 PolarHBondContact O-N 3.23Å
984	M	59.6	Low	53.6	Low	69 Å²	69	82.3 Å²	82.3	34%	0.34	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-95	133.4	179.5	-60.6	-164.4	-176.2	0	0	111.7	M981	M981-M984 HydrophobicContact CG-SD 4.49Å; M981-M984 HydrophobicContact SD-CE 4.25Å; M981-M984 HydrophobicContact SD-SD 3.66Å; M981-M984 VanDerWaalsContact SD-SD 3.66Å
985	M	65.3	Low	53.1	Low	51 Å²	51	87.3 Å²	87.3	25%	0.251	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-97.3	141.3	-171.2	-163.9	173	-171.6	0	0	112.1	I711 T712 P714 E989 Y990	I711-M985 HydrophobicContact CD1-SD 4.23Å; I711-M985 HydrophobicContact CG2-CB 3.79Å; I711-M985 HydrophobicContact CG2-SD 4Å; T712-M985 PolarHBondContact O-N 3Å; T712-M985 VanDerWaalsContact O-N 3.09Å; P714-M985 WeakPolarHBondContact CD-O 3.49Å; M985-E989 HydrophobicContact CE-CB 4.22Å; M985-E989 HydrophobicContact CE-CG 3.74Å; M985-Y990 HydrophobicContact SD-CD2 4.03Å; M985-Y990 HydrophobicContact SD-CG 4.5Å
986	D	70.5	Confident	52.9	Low	53 Å²	53	90.7 Å²	90.7	28%	0.283	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-68	133.7	173.9	-174.1	-64	0	0	0	109.9	Q764 K819 E988 E989 Y990	Q764-D986 PolarHBondContact NE2-OD1 2.77Å; Q764-D986 PolarHBondContact NE2-OD2 3.12Å; Q764-D986 VanDerWaalsContact NE2-OD2 3.12Å; K819-D986 WeakPolarHBondContact CE-OD2 3.27Å; K819-D986 IonicContact NZ-OD1 3.59Å; K819-D986 PolarHBondContact NZ-OD1 3.46Å; K819-D986 IonicContact NZ-OD2 2.62Å; K819-D986 PolarHBondContact NZ-OD2 2.92Å; D986-E988 PolarHBondContact O-N 2.82Å; D986-E988 VanDerWaalsContact O-N 3.15Å; D986-E988 WeakPolarHBondContact OD1-CB 3.41Å; D986-E988 PolarHBondContact OD1-N 3.21Å; D986-E989 HydrophobicContact CB-CB 4.14Å; D986-E989 WeakPolarHBondContact O-CB 3.46Å; D986-E989 PolarHBondContact O-N 2.82Å; D986-E989 VanDerWaalsContact O-N 3.07Å; D986-Y990 PolarHBondContact O-N 3.32Å
987	A	67.5	Low	52.4	Low	1 Å²	1	94.7 Å²	94.7	1%	0.008	52%	0.52	C	S	.	.	H	α-helix	trans	-59.2	-27.7	-177.4	0	0	0	0	0	113.7	I713 L751 Q764 L991	I713-A987 HydrophobicContact CG2-CB 3.65Å; L751-A987 HydrophobicContact CD1-CB 3.87Å; L751-A987 HydrophobicContact CD2-CB 3.93Å; Q764-A987 HydrophobicContact CB-CB 4.07Å; Q764-A987 HydrophobicContact CG-CB 4.09Å; A987-L991 VanDerWaalsContact O-CB 3.32Å; A987-L991 WeakPolarHBondContact O-CB 3.43Å; A987-L991 VanDerWaalsContact O-CG 3.26Å; A987-L991 WeakPolarHBondContact O-CG 3.21Å; A987-L991 PolarHBondContact O-N 2.99Å
988	E	66.1	Low	51.6	Low	78 Å²	78	99.1 Å²	99.1	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-79.6	-34.2	177.4	-56	-173.9	106.2	0	0	111.6	Q764 K819 K825 D986 V992	Q764-E988 PolarHBondContact OE1-OE2 3.41Å; K819-E988 IonicContact NZ-OE2 2.64Å; K819-E988 PolarHBondContact NZ-OE2 2.99Å; K825-E988 IonicContact NZ-OE1 3.62Å; K825-E988 PolarHBondContact NZ-OE1 3.14Å; K825-E988 IonicContact NZ-OE2 3.61Å; K825-E988 PolarHBondContact NZ-OE2 3.16Å; D986-E988 PolarHBondContact O-N 2.82Å; D986-E988 VanDerWaalsContact O-N 3.15Å; D986-E988 WeakPolarHBondContact OD1-CB 3.41Å; D986-E988 PolarHBondContact OD1-N 3.21Å; E988-V992 PolarHBondContact O-N 3.37Å
989	E	69.1	Low	51.2	Low	115 Å²	115	103 Å²	103	54%	0.537	56%	0.556	S	S	.	*	H	α-helix	trans	-68.1	-40.4	173.4	-167.8	-174.5	179.1	0	0	111.2	M985 D986 V992	M985-E989 HydrophobicContact CE-CB 4.22Å; M985-E989 HydrophobicContact CE-CG 3.74Å; D986-E989 HydrophobicContact CB-CB 4.14Å; D986-E989 WeakPolarHBondContact O-CB 3.46Å; D986-E989 PolarHBondContact O-N 2.82Å; D986-E989 VanDerWaalsContact O-N 3.07Å; E989-V992 CarbonylContact O-C 3.49Å
990	Y	70.1	Confident	50.8	Low	29 Å²	29	105.2 Å²	105.2	11%	0.114	56%	0.556	C	S	.	*	H	α-helix	trans	-68	-42.1	175	176.8	-101.2	0	0	0	112.7	R678 W704 P706 E709 I711 I713 M985 D986	R678-Y990 PolarHBondContact NH1-OH 3Å; W704-Y990 HydrophobicContact CH2-CD1 4.42Å; W704-Y990 AromaticContact CH2-CE1 3.75Å; W704-Y990 HydrophobicContact CH2-CE1 3.75Å; W704-Y990 HydrophobicContact CZ3-CD1 4.16Å; W704-Y990 AromaticContact CZ3-CE1 3.91Å; W704-Y990 HydrophobicContact CZ3-CE1 3.91Å; P706-Y990 HydrophobicContact CG-CE1 4.45Å; P706-Y990 WeakPolarHBondContact CG-OH 3.24Å; E709-Y990 WeakPolarHBondContact OE2-CE2 3.39Å; E709-Y990 VanDerWaalsContact OE2-CZ 3.28Å; E709-Y990 PolarHBondContact OE2-OH 2.96Å; I711-Y990 HydrophobicContact CD1-CD2 4.27Å; I711-Y990 HydrophobicContact CD1-CE2 4.19Å; I711-Y990 HydrophobicContact CG2-CD2 4.27Å; I713-Y990 HydrophobicContact CD1-CD1 3.35Å; I713-Y990 HydrophobicContact CD1-CD2 4.02Å; I713-Y990 HydrophobicContact CD1-CE1 3.73Å; I713-Y990 HydrophobicContact CD1-CE2 4.35Å; I713-Y990 HydrophobicContact CD1-CG 3.5Å; M985-Y990 HydrophobicContact SD-CD2 4.03Å; M985-Y990 HydrophobicContact SD-CG 4.5Å; D986-Y990 PolarHBondContact O-N 3.32Å
991	L	64.1	Low	50.4	Low	41 Å²	41	106 Å²	106	22%	0.215	57%	0.565	C	S	.	*	H	α-helix	trans	-77.3	-24.3	179.2	-73.9	-175.3	0	0	0	114	L751 A987	L751-L991 HydrophobicContact CD2-CD1 3.46Å; L751-L991 VanDerWaalsContact CD2-CD1 3.46Å; L751-L991 HydrophobicContact CD2-CG 4.45Å; A987-L991 VanDerWaalsContact O-CB 3.32Å; A987-L991 WeakPolarHBondContact O-CB 3.43Å; A987-L991 VanDerWaalsContact O-CG 3.26Å; A987-L991 WeakPolarHBondContact O-CG 3.21Å; A987-L991 PolarHBondContact O-N 2.99Å
992	V	57.4	Low	49.6	Very low	93 Å²	93	114.8 Å²	114.8	56%	0.564	59%	0.594	S	S	*	*	S	Bend	trans	-133.4	78.2	177.3	-169.5	0	0	0	0	109.9	E988 E989 Q994	E988-V992 PolarHBondContact O-N 3.37Å; E989-V992 CarbonylContact O-C 3.49Å; V992-Q994 PolarHBondContact O-N 3.17Å
993	P	46.8	Very low	49	Very low	95 Å²	95	114.9 Å²	114.9	62%	0.617	59%	0.588	S	S	*	*			trans	-60.7	112.4	178.8	-22.7	34.1	0	0	0	110.5	P995	P993-P995 WeakPolarHBondContact O-CD 3.04Å
994	Q	38.1	Very low	48	Very low	171 Å²	171	116.6 Å²	116.6	80%	0.799	60%	0.597	S	S	*	*			trans	-69.2	124.9	-176.8	-69.6	-149.2	16.5	0	0	110.9	V992 N996	V992-Q994 PolarHBondContact O-N 3.17Å; Q994-N996 VanDerWaalsContact C-N 3.27Å; Q994-N996 PolarHBondContact O-N 3.44Å
995	P	37.9	Very low	46.5	Very low	117 Å²	117	117 Å²	117	76%	0.76	62%	0.618	S	S	*	*	S	Bend	trans	-80	73.9	-178.1	33.2	-35.5	0	0	0	110.9	P993	P993-P995 WeakPolarHBondContact O-CD 3.04Å
996	N	39.1	Very low	44.8	Very low	156 Å²	156	119.8 Å²	119.8	83%	0.834	65%	0.65	S	S	*	*	S	Bend	trans	165.5	92.5	150	-86.2	-37.6	0	0	0	111.7	Q994	Q994-N996 VanDerWaalsContact C-N 3.27Å; Q994-N996 PolarHBondContact O-N 3.44Å
997	L	34.3	Very low	43	Very low	161 Å²	161	126.5 Å²	126.5	84%	0.843	68%	0.679	S	S	*	*			trans	-173.2	46.4	148.2	-106.6	161.7	0	0	0	115	P999	L997-P999 WeakPolarHBondContact O-CD 3.48Å
998	F	29.5	Very low	41.1	Very low	208 Å²	208	131.1 Å²	131.1	91%	0.912	72%	0.717	S	S	*	*			trans	-103	109.8	168.8	-78.5	-72.8	0	0	0	112.1
999	P	32.4	Very low	39.3	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.2	161.9	-16.3	31.3	0	0	0	110.1	L997	L997-P999 WeakPolarHBondContact O-CD 3.48Å
1000	R	30.1	Very low	37.3	Very low	248 Å²	248	133.7 Å²	133.7	94%	0.936	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-71.1	146.3	177.4	-80.3	178.7	167.9	163.9	-4.3	112
1001	T	37.4	Very low	35.6	Very low	137 Å²	137	138.7 Å²	138.7	84%	0.84	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-59.7	141.1	171.8	45.3	0	0	0	0	113.2
1002	R	29.7	Very low	33.9	Very low	255 Å²	255	143.9 Å²	143.9	96%	0.962	82%	0.824	S	S	*	*			trans	-161.3	164	150.4	-116.6	173.1	-172.9	-176.3	0.3	111.9
1003	A	32.3	Very low	32.5	Very low	82 Å²	82	151.1 Å²	151.1	68%	0.678	84%	0.841	S	S	*	*			trans	-102	176.7	-174.6	0	0	0	0	0	112.9
1004	D	30.9	Very low	31.6	Very low	170 Å²	170	155.6 Å²	155.6	91%	0.909	85%	0.854	S	S	*	*			trans	67.5	126.9	168.1	-58	-32	0	0	0	119.3
1005	G	28.9	Very low	31	Very low	76 Å²	76	156.8 Å²	156.8	78%	0.784	86%	0.859	S	S	*	*			trans	113.3	100	137.7	0	0	0	0	0	119.9
1006	A	29.1	Very low	30.3	Very low	110 Å²	110	156.6 Å²	156.6	91%	0.909	86%	0.861	S	S	*	*			trans	69.6	173.4	143.1	0	0	0	0	0	120.8
1007	Q	32.9	Very low	29.6	Very low	194 Å²	194	160.4 Å²	160.4	91%	0.907	87%	0.865	S	S	*	*			trans	-78.3	146.8	-162.7	-56	160.1	-50.8	0	0	114.8
1008	A	27.7	Very low	29.1	Very low	98 Å²	98	161.4 Å²	161.4	81%	0.81	87%	0.865	S	S	*	*			trans	-161.7	154.8	142.2	0	0	0	0	0	112.6
1009	N	27.6	Very low	28.8	Very low	175 Å²	175	160.7 Å²	160.7	94%	0.936	87%	0.865	S	S	*	*			trans	-91.7	158.8	-178	-46.5	-64.3	0	0	0	112.9
1010	G	27.2	Very low	28.5	Very low	72 Å²	72	163.2 Å²	163.2	74%	0.742	87%	0.866	S	S	*	*			trans	141	135.4	149.7	0	0	0	0	0	116.1
1011	P	34.9	Very low	28.3	Very low	134 Å²	134	156.5 Å²	156.5	87%	0.87	86%	0.857	S	S	*	*			trans	-93.2	149	-178.4	36.2	-34.4	0	0	0	113.8
1012	T	27.3	Very low	27.7	Very low	150 Å²	150	159.6 Å²	159.6	92%	0.92	86%	0.859	S	S	*	*			trans	-99.4	147.4	168.6	38.5	0	0	0	0	111.7
1013	R	29.1	Very low	27.4	Very low	245 Å²	245	154.6 Å²	154.6	93%	0.925	85%	0.851	S	S	*	*			trans	-128.3	134.9	176.5	-171.7	178.6	-174	177.2	2.6	108.2
1014	H	26.4	Very low	27.3	Very low	190 Å²	190	158 Å²	158	88%	0.88	86%	0.858	S	S	*	*			trans	-60.5	144.6	-175.5	-67.7	-93.4	0	0	0	113.1
1015	Q	25.9	Very low	27.2	Very low	195 Å²	195	157 Å²	157	91%	0.911	85%	0.852	S	S	*	*			trans	-139.1	144.3	153.2	-117.6	177	-10.5	0	0	110
1016	S	24.5	Very low	27.1	Very low	113 Å²	113	160.6 Å²	160.6	79%	0.79	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-84.7	144.7	-171.9	49.5	0	0	0	0	112.7
1017	Y	24.2	Very low	27	Very low	236 Å²	236	164 Å²	164	93%	0.925	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-98.8	125.4	164.6	-101.6	-87.3	0	0	0	111.7
1018	Q	22.4	Very low	28	Very low	182 Å²	182	159.7 Å²	159.7	85%	0.85	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-101.8	130.8	168.8	-175.9	-179.7	16.8	0	0	106.8
1019	Q	24.6	Very low	27.9	Very low	193 Å²	193	163.7 Å²	163.7	90%	0.902	85%	0.851	S	S	*	*			trans	-127.7	122.6	-179.1	-166.7	168	4.2	0	0	110.6
1020	Q	25.2	Very low	27.9	Very low	172 Å²	172	159.6 Å²	159.6	80%	0.804	84%	0.842	S	S	*	*			trans	-112.6	158.8	179.8	-160.9	167.2	10	0	0	110.3
1021	S	25.9	Very low	27.9	Very low	107 Å²	107	161.4 Å²	161.4	75%	0.748	85%	0.85	S	S	*	*			trans	-56.9	150.5	-175.8	48.1	0	0	0	0	114.6
1022	K	24.8	Very low	27.5	Very low	203 Å²	203	159 Å²	159	88%	0.883	85%	0.849	S	S	*	*			trans	-104.6	140.3	155.2	-86.7	-168.2	168.7	-166	0	110
1023	D	24.7	Very low	27.3	Very low	149 Å²	149	155.3 Å²	155.3	80%	0.797	84%	0.841	S	S	*	*			trans	-139.1	174.3	158	-123	-40.8	0	0	0	108.2
1024	L	30	Very low	28	Very low	155 Å²	155	148.9 Å²	148.9	81%	0.812	83%	0.831	S	S	*	*			trans	-74.6	168.1	-156.8	-71.8	108.8	0	0	0	118.5
1025	D	28.8	Very low	28.2	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	83%	0.83	S	S	*	*			trans	-74.6	147.5	-166.7	-41.6	-99.7	0	0	0	116.7
1026	V	26.7	Very low	28.2	Very low	152 Å²	152	143.7 Å²	143.7	92%	0.921	82%	0.817	S	S	*	*			trans	-148.2	149.4	142.6	174.9	0	0	0	0	109.2
1027	E	26.7	Very low	28.3	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	82%	0.819	S	S	*	*			trans	-78.1	170.4	-177	-102.7	-145.5	120.2	0	0	116.1
1028	P	54.5	Low	28.5	Very low	104 Å²	104	144.6 Å²	144.6	68%	0.675	81%	0.812	S	S	*	*			trans	-101.1	168.9	-156.8	39.8	-38.3	0	0	0	116.3
1029	L	25.4	Very low	28.7	Very low	182 Å²	182	140.3 Å²	140.3	95%	0.953	80%	0.803	S	S	*	*			trans	-151.7	168.1	153.1	-111.4	166.1	0	0	0	110.8
1030	A	26.3	Very low	28.9	Very low	89 Å²	89	136 Å²	136	74%	0.736	79%	0.794	S	S	*	*			trans	-130.5	168.3	-156	0	0	0	0	0	116.1
1031	A	26.9	Very low	28.9	Very low	110 Å²	110	135.5 Å²	135.5	91%	0.909	80%	0.795	S	S	*	*			trans	75.1	137.9	163.5	0	0	0	0	0	119
1032	G	26.9	Very low	29	Very low	83 Å²	83	135.7 Å²	135.7	86%	0.856	80%	0.797	S	S	*	*			trans	141.9	83.6	168.7	0	0	0	0	0	115.6
1033	G	22.7	Very low	29.1	Very low	72 Å²	72	132 Å²	132	74%	0.742	79%	0.792	S	S	*	*			trans	-99.5	-154.2	158.3	0	0	0	0	0	110.8
1034	P	45.1	Very low	29.2	Very low	111 Å²	111	133.4 Å²	133.4	72%	0.721	80%	0.798	S	S	*	*			cis	-144.2	-164	2.7	44.2	-25.2	0	0	0	115.1
1035	Q	29.9	Very low	28.9	Very low	182 Å²	182	129.5 Å²	129.5	85%	0.85	80%	0.795	S	S	*	*			trans	75.3	135.1	156.9	-73.9	167	4.2	0	0	117.6
1036	S	27.2	Very low	28.7	Very low	93 Å²	93	134.1 Å²	134.1	65%	0.65	80%	0.802	S	S	*	*			cis	-156.8	178.5	2.2	55.6	0	0	0	0	109.5
1037	M	25.7	Very low	28.6	Very low	166 Å²	166	131 Å²	131	82%	0.818	79%	0.787	S	S	*	*			cis	-145.4	173.3	28.6	-82.3	-160.8	176.3	0	0	115.7
1038	Y	28.1	Very low	28.4	Very low	203 Å²	203	131.5 Å²	131.5	80%	0.796	79%	0.789	S	S	*	*			trans	-34.8	161.8	164.8	-60.1	-90.3	0	0	0	119.7
1039	S	27.1	Very low	26.8	Very low	92 Å²	92	132.3 Å²	132.3	64%	0.643	80%	0.796	S	S	*	*			cis	-179.3	144	-24.2	-91	0	0	0	0	108.1
1040	S	27.8	Very low	27.1	Very low	103 Å²	103	129 Å²	129	72%	0.72	79%	0.786	S	S	*	*				178.4	134.8	80.5	-59.4	0	0	0	0	108.4
1041	L	26.7	Very low	27	Very low	160 Å²	160	131.3 Å²	131.3	84%	0.838	79%	0.79	S	S	*	*				49.8	138.3	90.1	-61.9	171.3	0	0	0	116.5
1042	S	26.8	Very low	27.1	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	79%	0.788	S	S	*	*			cis	-169.5	-178.3	-16.6	50.3	0	0	0	0	111.2
1043	T	27.2	Very low	27.6	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	78%	0.782	S	S	*	*			trans	-96.3	162.5	-164.1	48.5	0	0	0	0	117.6
1044	L	26.7	Very low	27.9	Very low	178 Å²	178	138.3 Å²	138.3	93%	0.932	79%	0.786	S	S	*	*			trans	132	146.8	143.5	-74.6	159.4	0	0	0	114.9
1045	G	23.7	Very low	26.9	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	79%	0.789	S	S	*	*			trans	-173	-36.3	177.7	0	0	0	0	0	125.2
1046	R	24.8	Very low	26.9	Very low	245 Å²	245	133.5 Å²	133.5	93%	0.925	79%	0.787	S	S	*	*			trans	64.3	142.2	167.9	-149.5	-167	-169.8	165.3	2.5	120.7
1047	S	23.5	Very low	26.8	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	79%	0.794	S	S	*	*			trans	93.8	128.9	145.1	-5.9	0	0	0	0	123.7
1048	Q	22.7	Very low	26.9	Very low	191 Å²	191	135.2 Å²	135.2	89%	0.893	80%	0.797	S	S	*	*			trans	82.3	128.1	142.1	-68.5	172.4	18	0	0	122.6
1049	C	21.2	Very low	26.9	Very low	120 Å²	120	130.4 Å²	130.4	81%	0.811	79%	0.793	S	S	*	*			trans	-88	165.5	155.7	-48.3	0	0	0	0	109.7
1050	P	32.3	Very low	27	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	80%	0.803	S	S	*	*				-154.8	159.7	95.5	41	-23.3	0	0	0	118.4
1051	T	24.2	Very low	26.8	Very low	136 Å²	136	131.4 Å²	131.4	83%	0.834	80%	0.797	S	S	*	*			trans	50.7	134.5	144.8	54.6	0	0	0	0	125.6
1052	L	28.5	Very low	26.7	Very low	163 Å²	163	131.8 Å²	131.8	85%	0.853	80%	0.799	S	S	*	*			trans	-35.8	159.8	155.6	-76.3	161.6	0	0	0	117.9
1053	P	37.8	Very low	26.6	Very low	115 Å²	115	137.1 Å²	137.1	75%	0.747	80%	0.802	S	S	*	*				-154.4	138.2	94.8	38.5	-18.6	0	0	0	120.6
1054	V	28.5	Very low	27.3	Very low	135 Å²	135	137 Å²	137	82%	0.818	80%	0.804	S	S	*	*				69.9	138.8	125	178	0	0	0	0	124.4
1055	A	25.5	Very low	27.2	Very low	96 Å²	96	136 Å²	136	79%	0.793	79%	0.794	S	S	*	*			trans	75.1	140.1	158.4	0	0	0	0	0	119.1
1056	A	28	Very low	27.4	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	80%	0.799	S	S	*	*			cis	-148.4	-162	-2.2	0	0	0	0	0	109.2
1057	S	27	Very low	27.4	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	79%	0.788	S	S	*	*			cis	-158.6	-154.1	10.2	-161	0	0	0	0	111.9
1058	M	26.4	Very low	27.5	Very low	178 Å²	178	139 Å²	139	88%	0.877	80%	0.798	S	S	*	*			trans	-122.9	-178.6	-179.7	-41.6	-167.9	75.9	0	0	111.6
1059	S	29.4	Very low	27.5	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	79%	0.791	S	S	*	*			cis	-158.1	-169.9	7.5	56.9	0	0	0	0	107.9
1060	N	27.9	Very low	27.8	Very low	159 Å²	159	135.9 Å²	135.9	85%	0.85	79%	0.789	S	S	*	*			cis	-160.9	-169.1	6.2	-150.2	-19.1	0	0	0	110.2
1061	G	25	Very low	27.4	Very low	57 Å²	57	136.2 Å²	136.2	59%	0.588	79%	0.794	S	S	*	*			trans	-155.4	169	170.2	0	0	0	0	0	115.8
1062	L	24.3	Very low	27.6	Very low	168 Å²	168	134.3 Å²	134.3	88%	0.88	79%	0.792	S	S	*	*			trans	-161.4	156.9	175.8	-144.4	72.2	0	0	0	114.3
1063	W	24.3	Very low	27.4	Very low	223 Å²	223	130.4 Å²	130.4	85%	0.845	79%	0.792	S	S	*	*			trans	-133.6	157.8	167.9	-90	60.8	0	0	0	109.1
1064	P	40.9	Very low	26.8	Very low	125 Å²	125	128.9 Å²	128.9	81%	0.812	80%	0.797	S	S	*	*				-149.2	175.9	119.2	36.8	-19.4	0	0	0	116.2
1065	Q	25.6	Very low	26.6	Very low	157 Å²	157	131.4 Å²	131.4	73%	0.734	80%	0.8	S	S	*	*			trans	-107.4	165.7	178.5	-57.3	171	-40.1	0	0	112.6
1066	L	27.1	Very low	26.6	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	79%	0.794	S	S	*	*				161.8	138.4	115.5	-89.8	162.2	0	0	0	117
1067	A	25.1	Very low	26.4	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	80%	0.795	S	S	*	*			trans	67.2	151.9	141.8	0	0	0	0	0	120.7
1068	R	25.1	Very low	26.2	Very low	223 Å²	223	134 Å²	134	84%	0.842	79%	0.794	S	S	*	*			cis	-167.3	162.9	-10.9	-119.9	-179.8	-175.5	164.3	3	112.1
1069	T	24.1	Very low	26.1	Very low	121 Å²	121	131.9 Å²	131.9	74%	0.742	79%	0.791	S	S	*	*			trans	63.4	143.2	153.2	51.4	0	0	0	0	119.5
1070	T	26.1	Very low	25.8	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	80%	0.795	S	S	*	*			cis	-165.3	147	-4.8	11	0	0	0	0	111.9
1071	S	24.8	Very low	25.6	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	79%	0.788	S	S	*	*			trans	51.1	134.9	147.3	-165.5	0	0	0	0	120.5
1072	A	28.2	Very low	25.6	Very low	96 Å²	96	138 Å²	138	79%	0.793	79%	0.793	S	S	*	*			cis	-172.5	165.3	-15.2	0	0	0	0	0	106.5
1073	G	23.7	Very low	25.5	Very low	82 Å²	82	136.2 Å²	136.2	85%	0.845	79%	0.789	S	S	*	*			cis	145	112.2	-3	0	0	0	0	0	111.1
1074	G	24.8	Very low	25.7	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	78%	0.784	S	S	*	*			trans	-157.7	131.2	-176.1	0	0	0	0	0	113.1
1075	Q	25.5	Very low	25.6	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	78%	0.778	S	S	*	*			trans	-35.9	135.8	-165.5	-76.5	168.1	-47.5	0	0	122
1076	S	25.1	Very low	25.4	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	78%	0.782	S	S	*	*			trans	82.3	94.3	131.3	-63.5	0	0	0	0	121.9
1077	D	23.2	Very low	25.2	Very low	153 Å²	153	126 Å²	126	82%	0.818	78%	0.777	S	S	*	*				39.7	124.5	124.4	-46	-23.8	0	0	0	118.8
1078	S	24.7	Very low	25.1	Very low	113 Å²	113	130 Å²	130	79%	0.79	78%	0.781	S	S	*	*			cis	-173.3	147.2	43.8	40.8	0	0	0	0	111.9
1079	V	23.6	Very low	25	Very low	134 Å²	134	128.1 Å²	128.1	81%	0.812	78%	0.779	S	S	*	*			trans	-168.5	112.3	159	128.8	0	0	0	0	111.8
1080	F	22.8	Very low	24.9	Very low	180 Å²	180	129.8 Å²	129.8	79%	0.789	78%	0.783	S	S	*	*				56.3	146.5	116.7	-102.5	-68.5	0	0	0	125
1081	L	24.2	Very low	24.9	Very low	138 Å²	138	129.2 Å²	129.2	72%	0.723	78%	0.784	S	S	*	*			trans	78.6	147.9	157	-59.2	174.9	0	0	0	117.8
1082	D	24.5	Very low	25	Very low	129 Å²	129	126.5 Å²	126.5	69%	0.69	76%	0.763	S	S	*	*			cis	-160.1	-175.1	0.8	-136.7	-26.1	0	0	0	115.3
1083	V	22.4	Very low	25	Very low	130 Å²	130	123.6 Å²	123.6	79%	0.788	74%	0.737	S	S	*	*			trans	111.5	127.5	150.1	-168	0	0	0	0	118
1084	T	27.3	Very low	25.2	Very low	122 Å²	122	123.7 Å²	123.7	75%	0.748	73%	0.725	S	S	*	*			trans	-93.9	-163.5	-177.5	47.5	0	0	0	0	111
1085	P	39	Very low	25.5	Very low	106 Å²	106	121.5 Å²	121.5	69%	0.688	70%	0.696	S	S	*	*			cis	-134.2	-162.8	7.9	48.2	-28.3	0	0	0	113.2
1086	D	22.5	Very low	25.7	Very low	150 Å²	150	113.4 Å²	113.4	80%	0.802	66%	0.663	S	S	*	*			cis	-152.9	159.3	13.4	-129	-36.7	0	0	0	111
1087	G	23.7	Very low	26.5	Very low	71 Å²	71	114.2 Å²	114.2	73%	0.732	65%	0.652	S	S	*	*			trans	172.3	122.1	176.6	0	0	0	0	0	116.1
1088	H	22.8	Very low	27.3	Very low	170 Å²	170	108 Å²	108	79%	0.787	62%	0.617	S	S	*	*			trans	-97.8	-178.1	-176.6	-87.4	-83.2	0	0	0	114.4
1089	F	22.3	Very low	27.8	Very low	182 Å²	182	104 Å²	104	80%	0.798	59%	0.588	S	S	*	*			trans	91.1	98.5	174.4	-58.5	-79.4	0	0	0	114.8
1090	L	22.8	Very low	28.6	Very low	157 Å²	157	103 Å²	103	82%	0.822	57%	0.573	S	S	*	*				80.2	98.3	71.4	-81.6	164.9	0	0	0	113.3
1091	S	25.9	Very low	29.2	Very low	113 Å²	113	96.6 Å²	96.6	79%	0.79	55%	0.547	S	S	*	.			trans	-79.5	156.2	176.2	-48.9	0	0	0	0	112.8
1092	P	26.2	Very low	29.5	Very low	63 Å²	63	91.1 Å²	91.1	41%	0.409	52%	0.52	S	S	.	.			trans	-101.8	-146.1	-176.7	10	15.7	0	0	0	112.1	R972 E976	R972-P1092 HydrophobicContact CG-CB 4.08Å; E976-P1092 HydrophobicContact CG-CB 4.23Å; E976-P1092 HydrophobicContact CG-CG 3.68Å; E976-P1092 WeakPolarHBondContact OE1-CB 3.27Å
1093	S	27.1	Very low	29.7	Very low	35 Å²	35	87.2 Å²	87.2	25%	0.245	50%	0.501	C	S	.	.			trans	-152.8	143.7	-151	63	0	0	0	0	117	R972 E976	R972-S1093 WeakPolarHBondContact CD-OG 3.03Å; R972-S1093 PolarHBondContact NH1-OG 3.48Å; E976-S1093 PolarHBondContact OE1-N 3.37Å; E976-S1093 VanDerWaalsContact OE1-N 3.09Å; E976-S1093 PolarHBondContact OE2-N 3.08Å
1094	S	29.4	Very low	29.9	Very low	85 Å²	85	91.2 Å²	91.2	59%	0.594	50%	0.503	S	S	*	.			trans	-41.6	151.4	-179.2	-52.7	0	0	0	0	117.9	Q969	Q969-S1094 VanDerWaalsContact CB-O 3.25Å; Q969-S1094 WeakPolarHBondContact CB-O 3.35Å; Q969-S1094 WeakPolarHBondContact CG-O 3.16Å
1095	P	30.7	Very low	29.8	Very low	35 Å²	35	89.6 Å²	89.6	23%	0.227	50%	0.495	C	S	.	.			trans	-102.6	159.9	-173.9	39.9	-35.1	0	0	0	116.6	Q969 F970 M973	Q969-P1095 VanDerWaalsContact O-CA 3.22Å; Q969-P1095 WeakPolarHBondContact O-CA 3.33Å; Q969-P1095 WeakPolarHBondContact O-CB 3.42Å; F970-P1095 HydrophobicContact CD2-CB 4.02Å; M973-P1095 HydrophobicContact CB-CB 3.96Å; M973-P1095 HydrophobicContact CB-CG 3.85Å; M973-P1095 HydrophobicContact CE-CG 4.19Å; M973-P1095 HydrophobicContact CG-CG 4.23Å; M973-P1095 VanDerWaalsContact SD-CD 3.54Å; M973-P1095 HydrophobicContact SD-CG 3.55Å; M973-P1095 VanDerWaalsContact SD-CG 3.55Å
1096	G	29.8	Very low	29.2	Very low	20 Å²	20	95 Å²	95	21%	0.206	50%	0.502	C	S	.	.			trans	-73.6	-144.7	163.2	0	0	0	0	0	113.8	F970	F970-G1096 WeakPolarHBondContact CD2-O 3.46Å
1097	R	41.1	Very low	29.4	Very low	113 Å²	113	91.2 Å²	91.2	43%	0.426	50%	0.498	S	S	.	.			trans	-135.2	165.6	-172.1	-55.4	-175.7	-165	110	10.9	114.1
1098	Y	39.6	Very low	29.5	Very low	23 Å²	23	92.9 Å²	92.9	9%	0.09	50%	0.499	C	S	.	.	S	Bend	trans	-77.4	107.6	138.6	-80.4	-128	0	0	0	107.2	L691 A716 L765 M766 L817 F970	L691-Y1098 HydrophobicContact CB-CD2 4.23Å; L691-Y1098 HydrophobicContact CB-CG 4.38Å; L691-Y1098 HydrophobicContact CD1-CD2 3.94Å; L691-Y1098 HydrophobicContact CD1-CE2 3.82Å; L691-Y1098 HydrophobicContact CD1-CG 4.46Å; L691-Y1098 HydrophobicContact CD2-CD2 4.25Å; L691-Y1098 HydrophobicContact CD2-CE2 4.49Å; L691-Y1098 HydrophobicContact CG-CD2 4.38Å; A716-Y1098 HydrophobicContact CB-CE1 4.44Å; L765-Y1098 WeakPolarHBondContact CA-OH 3.25Å; L765-Y1098 HydrophobicContact CD1-CE2 4.24Å; L765-Y1098 WeakPolarHBondContact CD1-OH 3.38Å; M766-Y1098 PolarHBondContact N-OH 2.81Å; M766-Y1098 PolarHBondContact O-OH 3.23Å; L817-Y1098 HydrophobicContact CD1-CD1 4.38Å; L817-Y1098 HydrophobicContact CD1-CE1 3.81Å; L817-Y1098 HydrophobicContact CD2-CD1 3.71Å; L817-Y1098 HydrophobicContact CD2-CE1 3.88Å; F970-Y1098 HydrophobicContact CE1-CD2 4.06Å; F970-Y1098 AromaticContact CE1-CE2 3.87Å; F970-Y1098 HydrophobicContact CE1-CE2 3.87Å; F970-Y1098 HydrophobicContact CE2-CD2 4.33Å; F970-Y1098 AromaticContact CZ-CD2 3.57Å; F970-Y1098 HydrophobicContact CZ-CD2 3.57Å; F970-Y1098 AromaticContact CZ-CE2 3.63Å; F970-Y1098 HydrophobicContact CZ-CE2 3.63Å
1099	C	37	Very low	29.8	Very low	28 Å²	28	93.6 Å²	93.6	19%	0.189	50%	0.502	C	S	.	.			trans	13	125.9	174.9	-94.7	0	0	0	0	119.5	C770 D773 R814	C770-C1099 HydrophobicContact CB-CB 3.66Å; C770-C1099 WeakPolarHBondContact CB-SG 3.27Å; C770-C1099 WeakPolarHBondContact SG-CA 3.5Å; C770-C1099 WeakPolarHBondContact SG-CB 3.34Å; C770-C1099 PolarHBondContact SG-N 2.9Å; C770-C1099 CovalentContact SG-SG 2.02Å; C770-C1099 PolarHBondContact SG-SG 2.95Å; D773-C1099 WeakPolarHBondContact OD2-CA 3.32Å; R814-C1099 VanDerWaalsContact CA-SG 3.57Å; R814-C1099 HydrophobicContact CB-CB 4.32Å
1100	K	40.1	Very low	29.9	Very low	113 Å²	113	89.6 Å²	89.6	49%	0.491	50%	0.495	S	S	.	.			trans	-108	134.1	163.3	-157.1	156.1	73.3	170.5	0	111.4
1101	D	34.6	Very low	30.1	Very low	46 Å²	46	88.3 Å²	88.3	25%	0.246	49%	0.49	C	S	.	.			trans	-42.9	117.9	179.9	-159	-7.6	0	0	0	112.2	T1103 N1249	D1101-T1103 HydrophobicContact CB-CG2 4.43Å; D1101-T1103 PolarHBondContact O-N 3.41Å; D1101-T1103 PolarHBondContact O-OG1 3.46Å; D1101-N1249 PolarHBondContact OD2-ND2 3.37Å
1102	P	31.2	Very low	30.2	Very low	23 Å²	23	89.4 Å²	89.4	15%	0.149	49%	0.486	C	S	.	.			trans	-81	51	-162.9	31.8	-33	0	0	0	114.2	K886 Y1104 E1251	K886-P1102 PolarHBondContact NZ-O 3.24Å; P1102-Y1104 PolarHBondContact O-N 3.1Å; P1102-E1251 WeakPolarHBondContact CG-OE1 3.11Å; P1102-E1251 WeakPolarHBondContact CG-OE2 3.23Å; P1102-E1251 VanDerWaalsContact O-OE1 3.11Å
1103	T	28	Very low	30.2	Very low	46 Å²	46	94.2 Å²	94.2	28%	0.282	50%	0.503	S	S	.	.			trans	-88.8	32.4	-163.3	45.1	0	0	0	0	116.1	D1101 N1249 P1250 E1251	D1101-T1103 HydrophobicContact CB-CG2 4.43Å; D1101-T1103 PolarHBondContact O-N 3.41Å; D1101-T1103 PolarHBondContact O-OG1 3.46Å; T1103-N1249 VanDerWaalsContact CG2-OD1 3.25Å; T1103-N1249 WeakPolarHBondContact CG2-OD1 3.42Å; T1103-P1250 HydrophobicContact CG2-CG 4.12Å; T1103-E1251 HydrophobicContact CG2-CG 4.37Å; T1103-E1251 WeakPolarHBondContact CG2-OE1 3.38Å
1104	Y	27	Very low	30.1	Very low	214 Å²	214	97.8 Å²	97.8	84%	0.839	52%	0.523	S	S	*	.			trans	-146.1	127.6	163.1	-88.2	-73	0	0	0	112.1	P1102	P1102-Y1104 PolarHBondContact O-N 3.1Å
1105	P	26	Very low	29.9	Very low	89 Å²	89	100.2 Å²	100.2	58%	0.578	53%	0.53	S	S	*	.			trans	-84.1	160	-178.1	34.6	-36	0	0	0	113.1
1106	R	25.4	Very low	29.5	Very low	219 Å²	219	107.4 Å²	107.4	83%	0.826	56%	0.56	S	S	*	*			trans	-142.6	86.8	171.6	-166	-172.4	-156.3	-154.5	7.5	110.3
1107	G	26.2	Very low	29.3	Very low	71 Å²	71	110.1 Å²	110.1	73%	0.732	58%	0.581	S	S	*	*			trans	-64.9	151.1	178.1	0	0	0	0	0	113.6
1108	S	26	Very low	28.6	Very low	106 Å²	106	113.1 Å²	113.1	74%	0.741	61%	0.605	S	S	*	*			trans	-153.3	129	-176.6	58	0	0	0	0	112.9
1109	Q	28.8	Very low	27.8	Very low	185 Å²	185	115.2 Å²	115.2	86%	0.864	63%	0.634	S	S	*	*			trans	-164	133.5	154.6	-102.7	151.7	-0.4	0	0	105.8
1110	C	25.2	Very low	27.2	Very low	97 Å²	97	118.9 Å²	118.9	66%	0.655	66%	0.66	S	S	*	*			cis	77	132.1	39.3	-58.8	0	0	0	0	113.4
1111	D	27.4	Very low	26.5	Very low	131 Å²	131	121.4 Å²	121.4	70%	0.701	67%	0.673	S	S	*	*			cis	-166.9	159.3	-11.7	-99.3	-33.5	0	0	0	110.3
1112	L	27.2	Very low	26	Very low	136 Å²	136	127.5 Å²	127.5	71%	0.712	70%	0.7	S	S	*	*			trans	53.1	125.4	158.1	-85.9	78.7	0	0	0	120.2
1113	E	25.9	Very low	26.6	Very low	164 Å²	164	130.8 Å²	130.8	77%	0.766	72%	0.721	S	S	*	*				73.5	140	83.4	-74.9	179.5	-179.2	0	0	114.8
1114	T	25.2	Very low	26.5	Very low	110 Å²	110	134.7 Å²	134.7	68%	0.675	74%	0.74	S	S	*	*			cis	-147	161.2	17.9	12.1	0	0	0	0	115.1
1115	D	24.5	Very low	26.4	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	73%	0.733	S	S	*	*			trans	63.8	128.1	140.7	-56.1	-18	0	0	0	127.1
1116	E	23.7	Very low	26.4	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	74%	0.739	S	S	*	*			trans	58	141.8	135.5	-66.4	-164.7	156.1	0	0	123.2
1117	A	25.8	Very low	26.3	Very low	77 Å²	77	130.4 Å²	130.4	64%	0.636	73%	0.733	S	S	*	*			cis	-163.4	163.5	-9.7	0	0	0	0	0	112.7
1118	D	25.6	Very low	26.3	Very low	175 Å²	175	134.4 Å²	134.4	94%	0.936	73%	0.732	S	S	*	*			trans	54.8	157.1	158.6	-77.8	-23.3	0	0	0	122.3
1119	G	23.8	Very low	26.2	Very low	68 Å²	68	134 Å²	134	70%	0.701	73%	0.729	S	S	*	*			trans	179.7	-50.3	171.5	0	0	0	0	0	119.3
1120	S	23.6	Very low	26	Very low	105 Å²	105	133 Å²	133	73%	0.734	73%	0.729	S	S	*	*			trans	72.1	148.4	172.3	85.1	0	0	0	0	121.7
1121	H	24.6	Very low	26.7	Very low	166 Å²	166	133.7 Å²	133.7	77%	0.769	73%	0.732	S	S	*	*			trans	57.2	112.9	150.4	-60.6	-46.8	0	0	0	125.2
1122	H	25.3	Very low	26.7	Very low	173 Å²	173	138.1 Å²	138.1	80%	0.801	74%	0.739	S	S	*	*				39.3	154.7	104.2	-85.6	-7	0	0	0	122.1
1123	P	43.1	Very low	26.7	Very low	92 Å²	92	142.4 Å²	142.4	60%	0.597	75%	0.745	S	S	*	*			cis	-145	-158.5	-41.6	38.4	-16.6	0	0	0	113
1124	N	25.8	Very low	26.6	Very low	129 Å²	129	139 Å²	139	69%	0.69	74%	0.74	S	S	*	*			trans	90.7	123.3	149.1	-72.2	-3.5	0	0	0	124.1
1125	H	26.5	Very low	26.8	Very low	148 Å²	148	142.8 Å²	142.8	69%	0.685	75%	0.75	S	S	*	*			trans	64.7	105.5	132.9	-65.8	-50.2	0	0	0	124
1126	L	23.9	Very low	26.8	Very low	135 Å²	135	140.6 Å²	140.6	71%	0.707	75%	0.75	S	S	*	*				68.6	128.1	114.2	-68.2	174.2	0	0	0	122.8
1127	H	24	Very low	27.1	Very low	148 Å²	148	140.6 Å²	140.6	69%	0.685	75%	0.75	S	S	*	*			trans	86.7	126.9	141.1	-84.6	-66.3	0	0	0	122.8
1128	H	25.9	Very low	27.4	Very low	156 Å²	156	141.5 Å²	141.5	72%	0.722	75%	0.751	S	S	*	*			trans	76	92.7	148.5	-72.7	-60.6	0	0	0	122.5
1129	S	24.1	Very low	27.5	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	75%	0.746	S	S	*	*				55.8	107.5	126.1	53.8	0	0	0	0	121.2
1130	L	24.4	Very low	27.7	Very low	165 Å²	165	149.1 Å²	149.1	86%	0.864	75%	0.753	S	S	*	*				25	141.9	125.1	-65.6	174.7	0	0	0	119.5
1131	P	41.5	Very low	28.9	Very low	110 Å²	110	150.1 Å²	150.1	71%	0.714	76%	0.757	S	S	*	*			cis	-151.1	-178.8	39.2	43.6	-23.9	0	0	0	119
1132	R	27	Very low	29	Very low	225 Å²	225	147.7 Å²	147.7	85%	0.849	76%	0.759	S	S	*	*			trans	79.3	107.5	150.7	-83.1	-179.8	176.6	-176.3	0.6	122.5
1133	R	26.8	Very low	29	Very low	225 Å²	225	146.8 Å²	146.8	85%	0.849	76%	0.757	S	S	*	*				73.6	121.8	118.9	-98.8	-173.4	-179.5	-177.2	-0.3	123.2
1134	S	24.5	Very low	29.4	Very low	92 Å²	92	146.9 Å²	146.9	64%	0.643	76%	0.757	S	S	*	*				78.3	108.8	127.4	63.1	0	0	0	0	124.3
1135	H	28.5	Very low	29.5	Very low	191 Å²	191	147.7 Å²	147.7	88%	0.884	76%	0.757	S	S	*	*				67.3	159.4	126.3	-72.1	-69.4	0	0	0	124
1136	A	25	Very low	29.5	Very low	88 Å²	88	149.9 Å²	149.9	73%	0.727	76%	0.761	S	S	*	*			trans	86	129.7	174.9	0	0	0	0	0	116.7
1137	H	30.3	Very low	29.6	Very low	188 Å²	188	148.6 Å²	148.6	87%	0.87	76%	0.758	S	S	*	*			cis	84.9	139.5	41.6	-80.2	16.5	0	0	0	113.4
1138	S	31.8	Very low	29.8	Very low	95 Å²	95	147.9 Å²	147.9	66%	0.664	76%	0.76	S	S	*	*			cis	-166.1	-169.3	5.4	-175	0	0	0	0	111.7
1139	Q	26.7	Very low	29.9	Very low	177 Å²	177	148.5 Å²	148.5	83%	0.827	76%	0.763	S	S	*	*			trans	107.2	126.3	159.1	-55.2	178.5	34.1	0	0	115.9
1140	R	28.1	Very low	30	Very low	226 Å²	226	152.7 Å²	152.7	85%	0.853	77%	0.772	S	S	*	*			cis	82.7	147.2	38.8	-75.7	-164.3	172.5	-163.7	-1.3	113.5
1141	P	50.3	Low	30.1	Very low	126 Å²	126	152.3 Å²	152.3	82%	0.818	77%	0.767	S	S	*	*			cis	-121	-166.7	38.7	43.6	-28.9	0	0	0	114.3
1142	S	26.4	Very low	29.4	Very low	116 Å²	116	154.5 Å²	154.5	81%	0.811	77%	0.772	S	S	*	*			cis	-146.8	-179.1	15.5	57.5	0	0	0	0	115.2
1143	M	25.6	Very low	29.4	Very low	153 Å²	153	150.6 Å²	150.6	75%	0.754	77%	0.768	S	S	*	*			trans	-133.6	-158.2	-173.3	-136.6	-165.4	162.2	0	0	109.2
1144	P	50.1	Low	30.3	Very low	94 Å²	94	145.3 Å²	145.3	61%	0.61	76%	0.763	S	S	*	*			cis	-96.4	-154.3	2.7	44.1	-38.1	0	0	0	111.8
1145	E	28.3	Very low	30.7	Very low	147 Å²	147	151.8 Å²	151.8	69%	0.687	77%	0.774	S	S	*	*			cis	-151.2	-162	-6.8	-135.2	141.3	-110.7	0	0	106.9
1146	Y	26	Very low	31.4	Very low	194 Å²	194	148.4 Å²	148.4	76%	0.761	77%	0.768	S	S	*	*			cis	-145	-179.5	1.9	-157.8	-93.8	0	0	0	108.9
1147	V	26.1	Very low	31.4	Very low	107 Å²	107	147.8 Å²	147.8	65%	0.648	76%	0.763	S	S	*	*			trans	-139.5	158.9	-166.8	-171	0	0	0	0	115.6
1148	N	28.7	Very low	31.3	Very low	134 Å²	134	146.5 Å²	146.5	72%	0.717	76%	0.761	S	S	*	*			trans	96.6	155	169.5	-53.5	-60.6	0	0	0	116.8
1149	Q	27.5	Very low	32	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	76%	0.761	S	S	*	*			cis	152.3	117.9	-36.3	172.3	178.8	6.4	0	0	109.9
1150	E	26.5	Very low	32	Very low	186 Å²	186	147.3 Å²	147.3	87%	0.869	76%	0.763	S	S	*	*			trans	179.9	164.2	163.3	-105.6	172.8	-156	0	0	108.1
1151	M	25.8	Very low	32.2	Very low	156 Å²	156	147.8 Å²	147.8	77%	0.768	77%	0.765	S	S	*	*			cis	-163.1	169.9	-47.4	-111.6	-163.3	84.7	0	0	108.6
1152	L	27.3	Very low	31.7	Very low	156 Å²	156	146.6 Å²	146.6	82%	0.817	76%	0.758	S	S	*	*			trans	77.2	103.9	161.6	-70.3	155	0	0	0	121.8
1153	D	27.5	Very low	31.8	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	75%	0.752	S	S	*	*			trans	-70.7	176.4	139.5	-127.5	-16.5	0	0	0	109.3
1154	P	45.5	Very low	32	Very low	115 Å²	115	145 Å²	145	75%	0.747	75%	0.752	S	S	*	*			cis	-142.2	-167.8	16.5	41.4	-18.7	0	0	0	117.3
1155	R	32.9	Very low	31.4	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	76%	0.761	S	S	*	*			trans	-63.2	172.3	164.8	-43.2	178.3	-170.5	-177.7	1.5	111.6
1156	P	42.3	Very low	32.1	Very low	119 Å²	119	146.9 Å²	146.9	77%	0.773	77%	0.767	S	S	*	*			cis	-154.2	-169.5	21	44.4	-21.3	0	0	0	119.2
1157	A	25.4	Very low	32.3	Very low	75 Å²	75	148.5 Å²	148.5	62%	0.62	77%	0.772	S	S	*	*			trans	77.8	126.6	134	0	0	0	0	0	125.8
1158	I	28.3	Very low	32.6	Very low	161 Å²	161	153 Å²	153	83%	0.826	78%	0.783	S	S	*	*				70.2	142.1	126.1	-65.1	171.8	0	0	0	119.5
1159	P	46.9	Very low	32.6	Very low	104 Å²	104	150.3 Å²	150.3	68%	0.675	79%	0.786	S	S	*	*			cis	-134.4	-167.6	-35.5	38.3	-16.8	0	0	0	112.5
1160	E	26.6	Very low	32.7	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	79%	0.792	S	S	*	*				170.9	156	115.8	-92.7	-158.9	176	0	0	115.4
1161	R	32.9	Very low	32.9	Very low	236 Å²	236	149.1 Å²	149.1	89%	0.891	79%	0.787	S	S	*	*			trans	-146.5	153.8	172.4	-137.5	-171.4	-174.3	-172.9	4.2	103.8
1162	P	38.5	Very low	33	Very low	101 Å²	101	148.3 Å²	148.3	66%	0.656	79%	0.79	S	S	*	*			cis	-148.8	-156.1	20.1	43.3	-20.2	0	0	0	115.3
1163	T	29.7	Very low	33.2	Very low	113 Å²	113	145 Å²	145	69%	0.693	77%	0.77	S	S	*	*			trans	-10.7	149.6	149.7	56.3	0	0	0	0	118.6
1164	T	28.5	Very low	33.4	Very low	122 Å²	122	148 Å²	148	75%	0.748	77%	0.771	S	S	*	*			cis	-168.8	165.8	33.2	-13.5	0	0	0	0	115
1165	L	37.7	Very low	32.5	Very low	153 Å²	153	154.7 Å²	154.7	80%	0.801	78%	0.781	S	S	*	*			trans	-19.6	158.2	150.7	-70.6	166.2	0	0	0	118.5
1166	P	43	Very low	32.5	Very low	127 Å²	127	151.3 Å²	151.3	83%	0.825	78%	0.78	S	S	*	*				-156.9	-165.8	56.8	44.4	-21	0	0	0	120.4
1167	R	31.5	Very low	32.7	Very low	229 Å²	229	150.5 Å²	150.5	86%	0.864	77%	0.774	S	S	*	*			trans	-70.1	179.3	-178.5	-54.6	164.4	161.4	154.8	-9.4	113.3
1168	K	31.7	Very low	33	Very low	202 Å²	202	154.1 Å²	154.1	88%	0.878	78%	0.783	S	S	*	*			cis	-175.1	155.3	27.5	-156.4	178.3	-177.4	-176.4	0	113.6
1169	G	28.9	Very low	32.9	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	78%	0.776	S	S	*	*			trans	103.1	158.4	155.5	0	0	0	0	0	117.2
1170	S	29.8	Very low	32	Very low	129 Å²	129	153.2 Å²	153.2	90%	0.902	79%	0.789	S	S	*	*			cis	-154.5	-179.2	0.2	-161.4	0	0	0	0	113.7
1171	R	30.1	Very low	32	Very low	201 Å²	201	147.8 Å²	147.8	76%	0.758	78%	0.783	S	S	*	*			trans	-96.8	170.6	-165.4	-46	168.5	176.6	166.2	-4	116.7	E1173	R1171-E1173 HydrophobicContact CB-CG 4.43Å; R1171-E1173 WeakPolarHBondContact CD-OE1 3.36Å; R1171-E1173 IonicContact CZ-OE1 3.68Å; R1171-E1173 IonicContact NE-OE1 3.44Å; R1171-E1173 IonicContact NH1-OE1 3.98Å; R1171-E1173 PolarHBondContact NH1-OE1 3.4Å
1172	V	28.2	Very low	31.6	Very low	139 Å²	139	142.4 Å²	142.4	84%	0.842	78%	0.782	S	S	*	*			trans	-161.2	138.6	137.9	122.2	0	0	0	0	108.4
1173	E	32	Very low	31	Very low	85 Å²	85	141.1 Å²	141.1	40%	0.397	79%	0.786	S	S	.	*			cis	92.4	118.2	9.4	-63.3	-162.8	-144.3	0	0	117.2	R1171	R1171-E1173 HydrophobicContact CB-CG 4.43Å; R1171-E1173 WeakPolarHBondContact CD-OE1 3.36Å; R1171-E1173 IonicContact CZ-OE1 3.68Å; R1171-E1173 IonicContact NE-OE1 3.44Å; R1171-E1173 IonicContact NH1-OE1 3.98Å; R1171-E1173 PolarHBondContact NH1-OE1 3.4Å
1174	R	31.1	Very low	30.8	Very low	208 Å²	208	144 Å²	144	79%	0.785	79%	0.792	S	S	*	*			cis	-156.9	167.5	-2.6	-53.8	111.7	-171.1	-170.7	9	110.5
1175	R	26.7	Very low	30.7	Very low	255 Å²	255	142.5 Å²	142.5	96%	0.962	79%	0.786	S	S	*	*			trans	-171.9	156.1	131.9	-104	175.4	-156	-139.9	5.4	116.7
1176	L	31.8	Very low	30	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	79%	0.785	S	S	*	*			trans	-126.9	169.3	178.8	-108.8	162.9	0	0	0	107
1177	P	47.1	Very low	29.1	Very low	101 Å²	101	142.8 Å²	142.8	66%	0.656	78%	0.781	S	S	*	*				-159.8	177.6	62	44.8	-23	0	0	0	120.2
1178	N	30.9	Very low	29.3	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	78%	0.777	S	S	*	*			trans	65.8	138.4	157.4	-60.7	-10.9	0	0	0	120
1179	G	26.9	Very low	29.5	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	77%	0.769	S	S	*	*			cis	-175.6	153.2	-8.4	0	0	0	0	0	116.4
1180	L	28	Very low	29.2	Very low	180 Å²	180	134 Å²	134	94%	0.942	76%	0.764	S	S	*	*				63.2	128.3	126.3	-67.8	165.5	0	0	0	122.6
1181	G	26.1	Very low	29	Very low	73 Å²	73	138.4 Å²	138.4	75%	0.753	76%	0.763	S	S	*	*			trans	143.3	78.4	137.3	0	0	0	0	0	120.7
1182	S	25.9	Very low	28.6	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	76%	0.763	S	S	*	*			trans	48.5	124.6	145.3	-155.1	0	0	0	0	122.3
1183	G	24.7	Very low	29	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	76%	0.764	S	S	*	*			trans	-171.2	131.3	165.6	0	0	0	0	0	111.9
1184	H	26.6	Very low	28.9	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.806	78%	0.775	S	S	*	*			trans	-76	161.7	-170.2	-74	-91.9	0	0	0	115.3
1185	S	25.3	Very low	28.5	Very low	91 Å²	91	133.9 Å²	133.9	64%	0.636	77%	0.774	S	S	*	*				-7.5	143	125.7	-37.6	0	0	0	0	115
1186	V	24.1	Very low	28.3	Very low	128 Å²	128	128.8 Å²	128.8	78%	0.776	77%	0.766	S	S	*	*				-166.1	136.1	65.6	159.5	0	0	0	0	107.3
1187	E	23.5	Very low	27.9	Very low	157 Å²	157	126.5 Å²	126.5	73%	0.734	76%	0.763	S	S	*	*			cis	-164.3	-175.6	-11.4	-128.9	163.8	-111.9	0	0	111
1188	N	35.1	Very low	26.8	Very low	148 Å²	148	126.4 Å²	126.4	79%	0.791	77%	0.771	S	S	*	*			trans	-133	125.8	160.8	-175.2	24.3	0	0	0	105.1
1189	P	37.2	Very low	26.8	Very low	110 Å²	110	125.2 Å²	125.2	71%	0.714	77%	0.773	S	S	*	*				-153.6	172.4	95.3	40.2	-22.8	0	0	0	115.3
1190	G	22.7	Very low	26.8	Very low	66 Å²	66	127.7 Å²	127.7	68%	0.68	78%	0.777	S	S	*	*			trans	173.3	92.2	160.4	0	0	0	0	0	117.5
1191	Y	24.7	Very low	26.5	Very low	221 Å²	221	122.4 Å²	122.4	87%	0.867	76%	0.759	S	S	*	*			trans	-5.3	118.3	149.5	-71	-98.6	0	0	0	118
1192	L	22.9	Very low	26.4	Very low	147 Å²	147	127.9 Å²	127.9	77%	0.77	76%	0.763	S	S	*	*				-179.5	116.3	96	-91.6	174.8	0	0	0	113.4
1193	I	35.4	Very low	26.3	Very low	169 Å²	169	128 Å²	128	87%	0.867	75%	0.754	S	S	*	*			trans	-116.7	119.6	136.3	-65.5	174.2	0	0	0	102.3
1194	P	29.9	Very low	26.4	Very low	95 Å²	95	129.2 Å²	129.2	62%	0.617	74%	0.743	S	S	*	*				-139.4	-164.4	74.9	28	-2.2	0	0	0	111.3
1195	V	22.2	Very low	26.4	Very low	127 Å²	127	125.9 Å²	125.9	77%	0.77	74%	0.737	S	S	*	*			cis	-146.9	162.2	22	-169.2	0	0	0	0	111.6
1196	N	23.2	Very low	26.5	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	75%	0.746	S	S	*	*			trans	-52.4	-177.5	159.5	-71.7	-27.5	0	0	0	114.5
1197	S	23.1	Very low	26.6	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	74%	0.744	S	S	*	*			trans	70.2	101.3	177.3	60	0	0	0	0	113.8
1198	A	24.3	Very low	26.7	Very low	98 Å²	98	133.6 Å²	133.6	81%	0.81	74%	0.744	S	S	*	*				85.9	152.8	58.1	0	0	0	0	0	113.3
1199	C	31.2	Very low	26.4	Very low	127 Å²	127	131.9 Å²	131.9	86%	0.858	74%	0.735	S	S	*	*			trans	-53.2	153.1	-175.8	-48.5	0	0	0	0	112.9
1200	P	27.9	Very low	25.9	Very low	117 Å²	117	134.1 Å²	134.1	76%	0.76	74%	0.74	S	S	*	*				-145.3	152.8	97.2	38.5	-25.6	0	0	0	116.1
1201	A	21.5	Very low	26	Very low	69 Å²	69	134.1 Å²	134.1	57%	0.57	74%	0.74	S	S	*	*			trans	57.6	162.3	152.4	0	0	0	0	0	118.1
1202	F	23.3	Very low	26.2	Very low	189 Å²	189	130.8 Å²	130.8	83%	0.829	74%	0.737	S	S	*	*			cis	-119	127.5	3.6	-86.5	-101	0	0	0	108.2
1203	D	23.4	Very low	26.6	Very low	125 Å²	125	133.4 Å²	133.4	67%	0.668	74%	0.742	S	S	*	*				89.7	100.6	70.8	-76.2	-18.6	0	0	0	113.9
1204	N	26.7	Very low	26.2	Very low	99 Å²	99	130 Å²	130	53%	0.529	74%	0.74	S	S	.	*				-11.4	145.9	127.1	-150.4	21.1	0	0	0	116	Y1206	N1204-Y1206 PolarHBondContact ND2-O 3.19Å; N1204-Y1206 PolarHBondContact OD1-N 2.94Å; N1204-Y1206 PolarHBondContact OD1-O 3.46Å
1205	P	27.8	Very low	26.1	Very low	103 Å²	103	134 Å²	134	67%	0.669	76%	0.756	S	S	*	*	S	Bend		-127.4	153.4	88.3	36.5	-30.2	0	0	0	112.6
1206	Y	26.2	Very low	26.2	Very low	210 Å²	210	131.8 Å²	131.8	82%	0.824	76%	0.759	S	S	*	*			cis	-121.9	160.3	27.8	-73.7	-103.5	0	0	0	114.8	N1204	N1204-Y1206 PolarHBondContact ND2-O 3.19Å; N1204-Y1206 PolarHBondContact OD1-N 2.94Å; N1204-Y1206 PolarHBondContact OD1-O 3.46Å
1207	Y	26.8	Very low	26.4	Very low	187 Å²	187	129.6 Å²	129.6	73%	0.733	76%	0.761	S	S	*	*			trans	-136.7	-179.5	178.8	-155.4	-95.8	0	0	0	109.8
1208	L	25.6	Very low	28.3	Very low	142 Å²	142	130 Å²	130	74%	0.743	76%	0.761	S	S	*	*			trans	85	129.5	174.5	-50.6	166.8	0	0	0	114.2
1209	D	28	Very low	29.4	Very low	111 Å²	111	131.8 Å²	131.8	59%	0.594	76%	0.764	S	S	*	*			cis	-159.6	172.5	-7.5	-130.8	-6.3	0	0	0	114.8
1210	L	27.1	Very low	29.4	Very low	157 Å²	157	129.1 Å²	129.1	82%	0.822	76%	0.758	S	S	*	*			trans	11.2	149	150.3	-62	162.5	0	0	0	120.1
1211	G	25.2	Very low	29.4	Very low	66 Å²	66	128.7 Å²	128.7	68%	0.68	77%	0.765	S	S	*	*			cis	143.3	128.4	10.6	0	0	0	0	0	111.6
1212	D	29.2	Very low	29.7	Very low	151 Å²	151	130.1 Å²	130.1	81%	0.807	78%	0.776	S	S	*	*			trans	9.9	133.8	171.5	-48.2	-28.9	0	0	0	123.4
1213	K	30.8	Very low	30	Very low	203 Å²	203	124.4 Å²	124.4	88%	0.883	77%	0.77	S	S	*	*				157.8	139.5	111.4	-87.7	164.9	-173	168.9	0	114.5
1214	A	27.1	Very low	30.2	Very low	98 Å²	98	126.5 Å²	126.5	81%	0.81	78%	0.782	S	S	*	*				166.7	147.1	111.7	0	0	0	0	0	113.3
1215	N	28.6	Very low	30.3	Very low	178 Å²	178	125 Å²	125	95%	0.952	79%	0.79	S	S	*	*			trans	-102.8	158.8	172.9	-72.1	-30.9	0	0	0	111.6
1216	G	24.4	Very low	30.3	Very low	81 Å²	81	124.7 Å²	124.7	84%	0.835	80%	0.796	S	S	*	*			trans	-160.3	140.9	167.2	0	0	0	0	0	112.1
1217	A	25.5	Very low	30.5	Very low	101 Å²	101	119.1 Å²	119.1	84%	0.835	79%	0.794	S	S	*	*			trans	-135.2	166.3	-168.7	0	0	0	0	0	112.7
1218	P	63.3	Low	30.7	Very low	119 Å²	119	115.8 Å²	115.8	77%	0.773	79%	0.793	S	S	*	*			trans	-95.3	175.4	-162.1	40.7	-38.8	0	0	0	114.8
1219	P	48.9	Very low	31	Very low	135 Å²	135	116.3 Å²	116.3	88%	0.877	79%	0.791	S	S	*	*				-143.7	-176	91.3	36.4	-18.4	0	0	0	113.5
1220	G	29.7	Very low	31.1	Very low	71 Å²	71	118 Å²	118	73%	0.732	80%	0.796	S	S	*	*			cis	149.6	159.2	-9.8	0	0	0	0	0	114.5
1221	A	28.7	Very low	31.3	Very low	108 Å²	108	114 Å²	114	89%	0.893	78%	0.78	S	S	*	*			trans	75.6	158.5	170.2	0	0	0	0	0	118.3
1222	A	28.5	Very low	31.5	Very low	98 Å²	98	118.2 Å²	118.2	81%	0.81	79%	0.788	S	S	*	*			cis	-155	153.7	4.9	0	0	0	0	0	114.5
1223	G	28.3	Very low	31.4	Very low	69 Å²	69	114.6 Å²	114.6	71%	0.711	79%	0.786	S	S	*	*			trans	69.7	142.3	157	0	0	0	0	0	119
1224	D	28.5	Very low	31.1	Very low	169 Å²	169	112.7 Å²	112.7	90%	0.904	79%	0.785	S	S	*	*			cis	-161.6	177.2	-7.2	-108.4	-68.9	0	0	0	107.8
1225	G	28.5	Very low	31.1	Very low	68 Å²	68	115.2 Å²	115.2	70%	0.701	78%	0.784	S	S	*	*			cis	121.2	130.5	15.3	0	0	0	0	0	109.1
1226	A	27.3	Very low	31	Very low	96 Å²	96	112.7 Å²	112.7	79%	0.793	78%	0.775	S	S	*	*			cis	-118	178.8	9.5	0	0	0	0	0	111
1227	A	30.9	Very low	31.1	Very low	94 Å²	94	120.1 Å²	120.1	78%	0.777	78%	0.778	S	S	*	*			cis	77.2	149.4	24	0	0	0	0	0	115
1228	T	30.1	Very low	31.1	Very low	117 Å²	117	123.9 Å²	123.9	72%	0.718	78%	0.778	S	S	*	*			cis	-133.2	-172.5	12.6	60.2	0	0	0	0	109.1
1229	Q	31.6	Very low	29.3	Very low	152 Å²	152	124.6 Å²	124.6	71%	0.71	78%	0.779	S	S	*	*			cis	-170.4	166.3	-25.9	-102.3	165.7	-105.4	0	0	104.1
1230	E	31	Very low	28.2	Very low	148 Å²	148	125.9 Å²	125.9	69%	0.692	78%	0.779	S	S	*	*			cis	-163.4	-170.8	5.4	-132	-177.2	-95.5	0	0	107.5
1231	S	31.6	Very low	27.9	Very low	71 Å²	71	125.4 Å²	125.4	50%	0.497	77%	0.774	S	S	.	*			cis	-157.7	174.7	2.7	-154.4	0	0	0	0	112.3
1232	N	29.2	Very low	27.7	Very low	156 Å²	156	130 Å²	130	83%	0.834	77%	0.774	S	S	*	*			trans	35.3	81.3	151.5	-67.3	-17.6	0	0	0	121.3
1233	G	26.1	Very low	27.5	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	78%	0.778	S	S	*	*				81.3	111.4	88.8	0	0	0	0	0	120.9
1234	N	25.6	Very low	27.4	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	78%	0.776	S	S	*	*				-158.3	164.5	122	-139.5	-19.5	0	0	0	111.7
1235	I	26.7	Very low	27.3	Very low	152 Å²	152	131.9 Å²	131.9	78%	0.779	77%	0.77	S	S	*	*			trans	-100.6	133.5	-175	-62.8	170.4	0	0	0	111.4
1236	T	27.5	Very low	27.1	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	77%	0.768	S	S	*	*			trans	-135.6	141	166.3	45.5	0	0	0	0	111.3
1237	R	25.9	Very low	27.1	Very low	238 Å²	238	134.5 Å²	134.5	90%	0.898	77%	0.774	S	S	*	*			trans	-85.2	128	175.2	-75.2	175.8	169.3	164.3	-5.6	109.7
1238	H	25.8	Very low	27.1	Very low	180 Å²	180	134.7 Å²	134.7	83%	0.833	76%	0.759	S	S	*	*			trans	-92.1	142.7	159.3	-87.7	-90.7	0	0	0	110.1
1239	V	25.1	Very low	27.2	Very low	133 Å²	133	130.6 Å²	130.6	81%	0.806	73%	0.733	S	S	*	*			trans	-120.4	136.8	173.3	176	0	0	0	0	108.2
1240	N	26.1	Very low	27.6	Very low	162 Å²	162	126.7 Å²	126.7	87%	0.866	72%	0.721	S	S	*	*			trans	-75.3	144.9	179.5	-64.6	-28.6	0	0	0	111
1241	G	23.6	Very low	28	Very low	61 Å²	61	119.7 Å²	119.7	63%	0.629	69%	0.688	S	S	*	*			trans	-134.4	148.7	165.6	0	0	0	0	0	110.6
1242	F	24.8	Very low	28.7	Very low	204 Å²	204	116.9 Å²	116.9	90%	0.895	67%	0.667	S	S	*	*				170.1	96.6	124.3	-90.8	-62.8	0	0	0	109.6	T1244	F1242-T1244 HydrophobicContact CD1-CG2 4.47Å
1243	V	23.7	Very low	29.7	Very low	146 Å²	146	111.1 Å²	111.1	89%	0.885	64%	0.636	S	S	*	*			trans	-108.3	129	166.5	178.3	0	0	0	0	106.8
1244	T	25.1	Very low	30.7	Very low	111 Å²	111	109.6 Å²	109.6	68%	0.681	62%	0.619	S	S	*	*			trans	-145.1	156.3	-178.1	68.5	0	0	0	0	109	F1242	F1242-T1244 HydrophobicContact CD1-CG2 4.47Å
1245	P	27.3	Very low	31.8	Very low	120 Å²	120	104.8 Å²	104.8	78%	0.779	59%	0.593	S	S	*	*				-127.7	157.9	-89.9	21.8	-0.2	0	0	0	113.9
1246	T	25.2	Very low	32.1	Very low	107 Å²	107	101.6 Å²	101.6	66%	0.656	59%	0.59	S	S	*	*			trans	-61.9	139.3	159.6	24.5	0	0	0	0	110.5	E1248	T1246-E1248 VanDerWaalsContact C-N 3.25Å; T1246-E1248 PolarHBondContact O-N 2.8Å
1247	A	26.7	Very low	32.1	Very low	112 Å²	112	103.3 Å²	103.3	93%	0.926	59%	0.594	S	S	*	*			trans	-73.1	83.3	167.5	0	0	0	0	0	109.2
1248	E	30.3	Very low	32.4	Very low	98 Å²	98	97.6 Å²	97.6	46%	0.458	59%	0.586	S	S	.	*			trans	-75.5	155.2	-179.3	-60.7	-166.4	137	0	0	112.2	T1246 P1250 L1253	T1246-E1248 VanDerWaalsContact C-N 3.25Å; T1246-E1248 PolarHBondContact O-N 2.8Å; E1248-P1250 WeakPolarHBondContact O-CD 3.42Å; E1248-L1253 VanDerWaalsContact OE2-CD2 3.3Å; E1248-L1253 WeakPolarHBondContact OE2-CD2 3.41Å
1249	N	33	Very low	33.2	Very low	31 Å²	31	101.8 Å²	101.8	17%	0.166	60%	0.595	C	S	.	*	B	Isolated β-bridge	trans	-75.6	119.2	167.2	178.2	-21.9	0	0	0	107	D1101 T1103 E1251 Y1252	D1101-N1249 PolarHBondContact OD2-ND2 3.37Å; T1103-N1249 VanDerWaalsContact CG2-OD1 3.25Å; T1103-N1249 WeakPolarHBondContact CG2-OD1 3.42Å; N1249-E1251 PolarHBondContact O-N 3.43Å; N1249-E1251 PolarHBondContact OD1-N 3.09Å; N1249-Y1252 CarbonylContact O-C 3.55Å; N1249-Y1252 PolarHBondContact O-N 2.94Å; N1249-Y1252 VanDerWaalsContact O-N 3.08Å
1250	P	39	Very low	33.3	Very low	70 Å²	70	101.3 Å²	101.3	46%	0.455	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-3.3	-175.6	28.5	-35.9	0	0	0	114.4	T1103 E1248	T1103-P1250 HydrophobicContact CG2-CG 4.12Å; E1248-P1250 WeakPolarHBondContact O-CD 3.42Å
1251	E	40.1	Very low	33.4	Very low	0 Å²	0	97.4 Å²	97.4	0%	0	59%	0.59	C	S	.	*	T	Hydrogen-bonded Turn	trans	-105.9	-17	174.2	-66.2	177.3	-129.6	0	0	113.7	W853 K886 P1102 T1103 N1249	W853-E1251 VanDerWaalsContact CH2-OE2 3.26Å; W853-E1251 WeakPolarHBondContact CH2-OE2 3.41Å; W853-E1251 WeakPolarHBondContact CZ3-OE2 3.46Å; K886-E1251 VanDerWaalsContact CE-OE1 3.27Å; K886-E1251 WeakPolarHBondContact CE-OE1 3.49Å; K886-E1251 VanDerWaalsContact NZ-CD 3.31Å; K886-E1251 IonicContact NZ-OE1 3.57Å; K886-E1251 PolarHBondContact NZ-OE1 2.94Å; P1102-E1251 WeakPolarHBondContact CG-OE1 3.11Å; P1102-E1251 WeakPolarHBondContact CG-OE2 3.23Å; P1102-E1251 VanDerWaalsContact O-OE1 3.11Å; T1103-E1251 HydrophobicContact CG2-CG 4.37Å; T1103-E1251 WeakPolarHBondContact CG2-OE1 3.38Å; N1249-E1251 PolarHBondContact O-N 3.43Å; N1249-E1251 PolarHBondContact OD1-N 3.09Å
1252	Y	45.7	Very low	33.7	Very low	13 Å²	13	98.2 Å²	98.2	5%	0.051	60%	0.599	C	S	.	*	B	Isolated β-bridge	trans	-133.2	83.9	-173	-78.8	-93.8	0	0	0	111.9	F696 D810 K848 V849 P850 N1249	F696-Y1252 HydrophobicContact CE2-CE1 4.49Å; F696-Y1252 HydrophobicContact CZ-CE1 4.38Å; D810-Y1252 PolarHBondContact OD1-OH 2.88Å; D810-Y1252 PolarHBondContact OD2-OH 3.1Å; K848-Y1252 HydrophobicContact CB-CD1 4.5Å; K848-Y1252 WeakPolarHBondContact CD-O 3.25Å; V849-Y1252 WeakPolarHBondContact O-CA 3.41Å; P850-Y1252 HydrophobicContact CB-CD1 4.37Å; P850-Y1252 HydrophobicContact CB-CE1 3.76Å; P850-Y1252 HydrophobicContact CB-CE2 4.42Å; P850-Y1252 HydrophobicContact CG-CE1 4.25Å; N1249-Y1252 CarbonylContact O-C 3.55Å; N1249-Y1252 PolarHBondContact O-N 2.94Å; N1249-Y1252 VanDerWaalsContact O-N 3.08Å
1253	L	50.7	Low	33.9	Very low	35 Å²	35	97.2 Å²	97.2	18%	0.183	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.2	148.5	174.7	-66	-179.9	0	0	0	111.8	K848 V849 I851 A893 R894 E1248	K848-L1253 VanDerWaalsContact CA-O 3.31Å; K848-L1253 WeakPolarHBondContact CA-O 2.93Å; V849-L1253 PolarHBondContact N-O 3.13Å; I851-L1253 HydrophobicContact CD1-CB 3.86Å; I851-L1253 HydrophobicContact CD1-CD1 3.86Å; I851-L1253 HydrophobicContact CD1-CG 4.17Å; A893-L1253 HydrophobicContact CB-CD1 3.99Å; A893-L1253 HydrophobicContact CB-CG 4.29Å; R894-L1253 HydrophobicContact CB-CD1 4.19Å; E1248-L1253 VanDerWaalsContact OE2-CD2 3.3Å; E1248-L1253 WeakPolarHBondContact OE2-CD2 3.41Å
1254	G	47.8	Very low	34.2	Very low	42 Å²	42	100.9 Å²	100.9	43%	0.433	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	109.7	171.7	0	0	0	0	0	111.2	A1256	G1254-A1256 PolarHBondContact O-N 2.58Å; G1254-A1256 VanDerWaalsContact O-N 3.13Å
1255	L	47.7	Very low	34.7	Very low	61 Å²	61	100.4 Å²	100.4	32%	0.319	62%	0.617	S	S	.	*			trans	-80.7	90.9	179.1	-76.3	170.4	0	0	0	110.6	V849 R862	V849-L1255 HydrophobicContact CG2-CD1 3.8Å; V849-L1255 HydrophobicContact CG2-CG 4.38Å; R862-L1255 PolarHBondContact NH2-O 3.01Å
1256	A	33.7	Very low	35	Very low	85 Å²	85	99.4 Å²	99.4	70%	0.702	61%	0.608	S	S	*	*			trans	-99	145.5	173.4	0	0	0	0	0	112	G1254	G1254-A1256 PolarHBondContact O-N 2.58Å; G1254-A1256 VanDerWaalsContact O-N 3.13Å
1257	D	27.5	Very low	35.6	Very low	160 Å²	160	98.9 Å²	98.9	86%	0.856	61%	0.606	S	S	*	*	S	Bend	trans	58.3	126.2	176.5	-58.1	-19.5	0	0	0	118
1258	T	32.2	Very low	36.1	Very low	119 Å²	119	98.2 Å²	98.2	73%	0.73	59%	0.587	S	S	*	*			trans	-81.3	137.7	-171	44	0	0	0	0	113.4	T1260	T1258-T1260 VanDerWaalsContact C-N 3.33Å; T1258-T1260 PolarHBondContact O-N 2.76Å
1259	W	41.5	Very low	36.5	Very low	267 Å²	267	98.2 Å²	98.2	100%	1.011	60%	0.595	S	S	*	*			trans	-68.6	84.3	165.7	-77.2	61	0	0	0	111.4
1260	T	27.6	Very low	36.7	Very low	123 Å²	123	102.7 Å²	102.7	76%	0.755	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-79	118.6	161.5	52.5	0	0	0	0	109.1	T1258	T1258-T1260 VanDerWaalsContact C-N 3.33Å; T1258-T1260 PolarHBondContact O-N 2.76Å
1261	G	27.6	Very low	36.5	Very low	80 Å²	80	105 Å²	105	83%	0.825	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-59	144.7	-176	0	0	0	0	0	113.8
1262	G	29.6	Very low	36.3	Very low	78 Å²	78	113.1 Å²	113.1	80%	0.804	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-81.4	150.3	-174.5	0	0	0	0	0	114.8
1263	Q	29.4	Very low	35.5	Very low	183 Å²	183	121.4 Å²	121.4	86%	0.855	74%	0.737	S	S	*	*			trans	-149.7	147.1	156.4	-101.8	-179	22	0	0	109.5
1264	T	30.5	Very low	34.1	Very low	224 Å²	224	129.3 Å²	129.3	100%	1.374	79%	0.788	S	S	*	*			trans	72.4	0	-171.5	67.4	0	0	0	0	116.7

Retrieved 1,264 of 1,264 residues in 396.1 ms (Link to these results)

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