A0A087YBM8_POEFO Loading...

Pleckstrin homology domain-containing family M member 2

Plays a role in lysosomes movement and localization at the cell periphery acting as an effector of ARL8B. Required for ARL8B to exert its effects on lysosome location, recruits kinesin-1 to lysosomes and hence direct their movement toward microtubule plus ends. Binding to ARL8B provides a link from lysosomal membranes to plus-end-directed motility. Critical factor involved in NK cell-mediated cytotoxicity. Drives the polarization of cytolytic granules and microtubule-organizing centers (MTOCs) toward the immune synapse between effector NK lymphocytes and target cells. Required for maintenance of the Golgi apparatus organization. May play a role in membrane tubulation.

AlphaFold DB , UniProt , Accession A0A087YBM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,016 aa.

						>A0A087YBM8_POEFO|A0A087YBM8
MDQLKVKDRILENISMSVKKLQSYFAACEDETPAIRNHDRVLQRLCEHLDHALLYGLQDISSGYWVLVVHFTRREAVRQIDELQHIATNLGRSRAWLYLALSESSLESYLRLFQENQGLLQKYYFKNALVCSHDHLTLFLTLVSGLEFIRFDLELDVPYLDVAPYMPEYYKPHNLLDFEERLPSSDSLSLHSFTSLTSTNLEWDDSAIAPSSEDYDFGDMFPVLQSLPSANWEEGDLTDQASCPRSAGSDPQTVVSDTVVVTSTAVGKTAARLSPSSPTSRHNPFNEDSDTNTSADVTPVHAASRRNTTEDETEVNGNELEVIRMAKRKKPAKKRRGRGSTDSSSSIHTSLSSEHVEIVNHNTSQEVDSISSTVALLDSEGEQNRSRVGSAIVEEGGEEGVEGLLRLPEMTDTSMDTVGQPLRDVMERLNGSWVPPEEQEDKNNQSCDQSSQPPVQQPFRNDSEGKPPDPTPRETFDSSLADRPDRLQTSPVSADLCCVTTGSPDSADTSGGHNDSTEQSQSQTLSGSLEDEEEAEEPAGRKPHMKDEEETVEGDSAGRTSETEETEQQEKLSPSEISHPAEFKVDNNHLLLLMIHVFRENEEQLFRMLRMSTGHMEGDLQPLYLLLTDCYIYLLRKGAAEKPYTVEDAVSYNELDYLSVGLDQQTITLVCTNRRRKFLLDTADGSLTVWFLSVLKSAMVQGCREPPYPAVLTDATMEKLALNKFVSQESHCEVSEVSIQLYSLVHWEDPMDMTMSPQGGTPTSGVPSSIKEGSLQYRSGITYLGKEMWKSCYVILSKGVLYLYAERTDVTPLMSVTMGGEHCGGCRRSNNTERPHAFQVILTERPPLVLSANNEQDMAEWMQLLCQSVSKGVIPQGVAPTPCIPCCLVVTDKRLLTCHQDCQTSFFRSLGSVDICDVTTVSLESDKEYCVIEFAADRTQFLPPWVLYFSGCEERDRLLDALNKTWKDIFQVDLPHRELLDPLVQKRCGEALELMKSAWQRADSLARGRAQREPWC
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	73.2	Confident	202 Å²	202	88.2 Å²	88.2	100%	0.995	42%	0.421	S	S	*	.				0	139	0	-169	-172.7	-63.3	0	0	108	Q3	M1-Q3 PolarHBondContact O-N 2.93Å
2	D	51.8	Low	74.6	Confident	88 Å²	88	91.1 Å²	91.1	47%	0.471	43%	0.434	S	S	.	.			trans	-67.2	127	-168.3	-52.5	-60.2	0	0	0	112.9	L4 K5	D2-L4 PolarHBondContact O-N 3.42Å; D2-K5 HydrophobicContact CB-CD 4.03Å; D2-K5 HydrophobicContact CB-CG 4.18Å; D2-K5 PolarHBondContact O-N 2.68Å; D2-K5 WeakPolarHBondContact OD2-CE 3.46Å; D2-K5 IonicContact OD2-NZ 3.91Å; D2-K5 PolarHBondContact OD2-NZ 3.18Å
3	Q	57.2	Low	75.7	Confident	107 Å²	107	88.5 Å²	88.5	50%	0.5	42%	0.424	S	S	.	.	H	α-helix	trans	-69.6	-14.3	-177	-63	-179.4	2	0	0	113.5	M1 N127	M1-Q3 PolarHBondContact O-N 2.93Å; Q3-N127 PolarHBondContact OE1-ND2 2.8Å
4	L	61.3	Low	76.8	Confident	110 Å²	110	82.1 Å²	82.1	58%	0.576	39%	0.394	S	S	*	.	H	α-helix	trans	-68.5	-56.5	170.1	-69.1	165.1	0	0	0	110.4	D2 V6 K7 D8	D2-L4 PolarHBondContact O-N 3.42Å; L4-V6 PolarHBondContact O-N 3.01Å; L4-K7 WeakPolarHBondContact O-CA 3.25Å; L4-K7 WeakPolarHBondContact O-CB 3.44Å; L4-K7 PolarHBondContact O-N 2.79Å; L4-D8 PolarHBondContact O-N 2.91Å; L4-D8 VanDerWaalsContact O-OD2 3.07Å
5	K	74.1	Confident	77.7	Confident	131 Å²	131	78.3 Å²	78.3	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-53.1	-28	-179.1	-65.2	174	-178.9	158.5	0	113.9	D2 D8 R9	D2-K5 HydrophobicContact CB-CD 4.03Å; D2-K5 HydrophobicContact CB-CG 4.18Å; D2-K5 PolarHBondContact O-N 2.68Å; D2-K5 WeakPolarHBondContact OD2-CE 3.46Å; D2-K5 IonicContact OD2-NZ 3.91Å; D2-K5 PolarHBondContact OD2-NZ 3.18Å; K5-D8 WeakPolarHBondContact CA-OD2 3.41Å; K5-D8 PolarHBondContact N-OD2 2.95Å; K5-R9 WeakPolarHBondContact O-CB 3.32Å; K5-R9 PolarHBondContact O-N 3.08Å
6	V	81.4	Confident	78.3	Confident	52 Å²	52	79.8 Å²	79.8	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-71.8	-41.2	174.8	-176.7	0	0	0	0	111.7	L4 I10 Y55	L4-V6 PolarHBondContact O-N 3.01Å; V6-I10 HydrophobicContact CG1-CD1 4.3Å; V6-I10 WeakPolarHBondContact O-CD1 3.29Å; V6-I10 VanDerWaalsContact O-CG1 3.25Å; V6-I10 WeakPolarHBondContact O-CG1 3.3Å; V6-I10 PolarHBondContact O-N 3.37Å; V6-Y55 HydrophobicContact CG1-CD2 4.49Å; V6-Y55 HydrophobicContact CG1-CE2 3.58Å
7	K	84.1	Confident	78.9	Confident	15 Å²	15	75.6 Å²	75.6	7%	0.065	37%	0.368	C	S	.	.	H	α-helix	trans	-69.8	-44	175.6	-59.6	179.4	-172.8	-164.8	0	111.5	L4 R9 I10 L11 Y55 N127 A128 H135	L4-K7 WeakPolarHBondContact O-CA 3.25Å; L4-K7 WeakPolarHBondContact O-CB 3.44Å; L4-K7 PolarHBondContact O-N 2.79Å; K7-R9 VanDerWaalsContact C-N 3.29Å; K7-R9 PolarHBondContact O-N 2.92Å; K7-I10 WeakPolarHBondContact O-CB 3.44Å; K7-I10 PolarHBondContact O-N 2.93Å; K7-L11 WeakPolarHBondContact O-CG 3.21Å; K7-L11 PolarHBondContact O-N 2.98Å; K7-Y55 HydrophobicContact CG-CE1 3.92Å; K7-N127 WeakPolarHBondContact CE-O 3.4Å; K7-N127 PolarHBondContact NZ-O 3.1Å; K7-A128 PolarHBondContact NZ-O 2.82Å; K7-H135 WeakPolarHBondContact CB-CD2 3.1Å
8	D	86.6	Confident	79.5	Confident	75 Å²	75	71.7 Å²	71.7	40%	0.401	35%	0.349	S	S	.	.	H	α-helix	trans	-54.9	-48.3	178.5	-57.9	-41.3	0	0	0	110.1	L4 K5 I10 L11 E12 H135	L4-D8 PolarHBondContact O-N 2.91Å; L4-D8 VanDerWaalsContact O-OD2 3.07Å; K5-D8 WeakPolarHBondContact CA-OD2 3.41Å; K5-D8 PolarHBondContact N-OD2 2.95Å; D8-I10 PolarHBondContact O-N 3.03Å; D8-L11 PolarHBondContact O-N 3.41Å; D8-E12 WeakPolarHBondContact O-CB 3.42Å; D8-E12 PolarHBondContact O-N 3.37Å; D8-H135 IonicContact OD1-CD2 3.23Å; D8-H135 IonicContact OD1-NE2 3.91Å
9	R	87.1	Confident	80	Confident	172 Å²	172	73.9 Å²	73.9	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-63.4	-33.8	176.1	-170.7	177.8	-178.4	-167.4	0.5	114	K5 K7 N13	K5-R9 WeakPolarHBondContact O-CB 3.32Å; K5-R9 PolarHBondContact O-N 3.08Å; K7-R9 VanDerWaalsContact C-N 3.29Å; K7-R9 PolarHBondContact O-N 2.92Å; R9-N13 WeakPolarHBondContact O-CB 3.35Å; R9-N13 PolarHBondContact O-N 3.22Å; R9-N13 PolarHBondContact O-OD1 3.5Å
10	I	88	Confident	80.2	Confident	7 Å²	7	74.6 Å²	74.6	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-66.9	-43.6	174.4	-69	164.5	0	0	0	110.2	V6 K7 D8 N13 I14 A52 Y55 L129	V6-I10 HydrophobicContact CG1-CD1 4.3Å; V6-I10 WeakPolarHBondContact O-CD1 3.29Å; V6-I10 VanDerWaalsContact O-CG1 3.25Å; V6-I10 WeakPolarHBondContact O-CG1 3.3Å; V6-I10 PolarHBondContact O-N 3.37Å; K7-I10 WeakPolarHBondContact O-CB 3.44Å; K7-I10 PolarHBondContact O-N 2.93Å; D8-I10 PolarHBondContact O-N 3.03Å; I10-N13 PolarHBondContact O-N 2.91Å; I10-I14 HydrophobicContact CG2-CD1 4.18Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.18Å; I10-A52 HydrophobicContact CG2-CB 3.65Å; I10-Y55 HydrophobicContact CD1-CD1 4.44Å; I10-Y55 HydrophobicContact CD1-CD2 3.71Å; I10-Y55 HydrophobicContact CD1-CE2 4.21Å; I10-Y55 HydrophobicContact CD1-CG 3.84Å; I10-L129 HydrophobicContact CB-CD1 4.08Å; I10-L129 HydrophobicContact CG2-CD1 3.65Å
11	L	89.9	Confident	80.5	Confident	11 Å²	11	71 Å²	71	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-38.8	176.7	-64.6	173.7	0	0	0	112	K7 D8 I14 S15 L129 H135 L138 F139 L142	K7-L11 WeakPolarHBondContact O-CG 3.21Å; K7-L11 PolarHBondContact O-N 2.98Å; D8-L11 PolarHBondContact O-N 3.41Å; L11-I14 PolarHBondContact O-N 2.62Å; L11-S15 WeakPolarHBondContact O-CB 3.34Å; L11-S15 PolarHBondContact O-N 2.6Å; L11-L129 HydrophobicContact CD2-CD1 4.13Å; L11-L129 HydrophobicContact CD2-CD2 4.38Å; L11-L129 HydrophobicContact CG-CD1 4.28Å; L11-H135 HydrophobicContact CD1-CB 4.11Å; L11-L138 HydrophobicContact CD1-CB 3.96Å; L11-L138 HydrophobicContact CD1-CD1 4.07Å; L11-F139 HydrophobicContact CD2-CB 3.74Å; L11-F139 HydrophobicContact CD2-CG 4.33Å; L11-L142 HydrophobicContact CB-CD1 4.33Å; L11-L142 HydrophobicContact CD2-CD1 4.42Å; L11-L142 VanDerWaalsContact O-CD1 3.27Å; L11-L142 WeakPolarHBondContact O-CD1 3.43Å
12	E	90.4	Very high	82.4	Confident	123 Å²	123	65.1 Å²	65.1	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-60.4	-49	174.3	-177	177.8	-148.6	0	0	111.5	D8 I14 S15 M16	D8-E12 WeakPolarHBondContact O-CB 3.42Å; D8-E12 PolarHBondContact O-N 3.37Å; E12-I14 VanDerWaalsContact C-N 3.33Å; E12-I14 PolarHBondContact O-N 3.03Å; E12-S15 WeakPolarHBondContact O-CB 3.38Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 VanDerWaalsContact O-N 3.11Å; E12-M16 WeakPolarHBondContact O-CG 2.92Å; E12-M16 PolarHBondContact O-N 3.07Å
13	N	89	Confident	83.8	Confident	57 Å²	57	64.5 Å²	64.5	31%	0.305	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-39.5	175.6	-79	20.9	0	0	0	112.6	R9 I10 S17 H48	R9-N13 WeakPolarHBondContact O-CB 3.35Å; R9-N13 PolarHBondContact O-N 3.22Å; R9-N13 PolarHBondContact O-OD1 3.5Å; I10-N13 PolarHBondContact O-N 2.91Å; N13-S17 WeakPolarHBondContact O-CB 3.47Å; N13-S17 PolarHBondContact O-N 3.27Å; N13-S17 PolarHBondContact O-OG 3.36Å; N13-H48 VanDerWaalsContact CB-CD2 3.45Å; N13-H48 WeakPolarHBondContact CB-CD2 3.46Å; N13-H48 PolarHBondContact ND2-CD2 3.48Å; N13-H48 PolarHBondContact ND2-NE2 3.3Å
14	I	91.1	Very high	84.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-46.4	172.7	-68.9	168.4	0	0	0	109.8	I10 L11 E12 M16 S17 V18 H48 L49 A52 F139 L142	I10-I14 HydrophobicContact CG2-CD1 4.18Å; I10-I14 WeakPolarHBondContact O-CG1 3.45Å; I10-I14 PolarHBondContact O-N 3.18Å; L11-I14 PolarHBondContact O-N 2.62Å; E12-I14 VanDerWaalsContact C-N 3.33Å; E12-I14 PolarHBondContact O-N 3.03Å; I14-M16 VanDerWaalsContact C-N 3.33Å; I14-M16 PolarHBondContact O-N 2.7Å; I14-S17 WeakPolarHBondContact O-CB 3.16Å; I14-S17 PolarHBondContact O-N 2.9Å; I14-S17 VanDerWaalsContact O-N 3.09Å; I14-V18 HydrophobicContact CG2-CG2 4.04Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.49Å; I14-V18 PolarHBondContact O-N 3.4Å; I14-H48 HydrophobicContact CG1-CB 3.79Å; I14-L49 HydrophobicContact CD1-CD2 4.29Å; I14-L49 HydrophobicContact CG2-CD2 4.43Å; I14-A52 HydrophobicContact CD1-CB 3.74Å; I14-F139 HydrophobicContact CD1-CD2 4.09Å; I14-F139 HydrophobicContact CD1-CE2 3.82Å; I14-F139 HydrophobicContact CD1-CZ 4.5Å; I14-L142 HydrophobicContact CB-CD1 4.2Å; I14-L142 HydrophobicContact CG2-CB 4.07Å; I14-L142 HydrophobicContact CG2-CD1 3.96Å
15	S	90.5	Very high	85.1	Confident	25 Å²	25	58.3 Å²	58.3	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-44.3	178.9	-168.5	0	0	0	0	112	L11 E12 S17 V18 K19	L11-S15 WeakPolarHBondContact O-CB 3.34Å; L11-S15 PolarHBondContact O-N 2.6Å; E12-S15 WeakPolarHBondContact O-CB 3.38Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 VanDerWaalsContact O-N 3.11Å; S15-S17 VanDerWaalsContact C-N 3.34Å; S15-S17 PolarHBondContact O-N 3.26Å; S15-V18 PolarHBondContact O-N 2.81Å; S15-K19 WeakPolarHBondContact O-CB 3.47Å; S15-K19 WeakPolarHBondContact O-CG 3.22Å; S15-K19 PolarHBondContact O-N 3.09Å
16	M	86.7	Confident	85	Confident	102 Å²	102	56 Å²	56	50%	0.502	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-35.4	175.7	-68.1	-58.5	-71.1	0	0	112.7	E12 I14 K19 K20	E12-M16 WeakPolarHBondContact O-CG 2.92Å; E12-M16 PolarHBondContact O-N 3.07Å; I14-M16 VanDerWaalsContact C-N 3.33Å; I14-M16 PolarHBondContact O-N 2.7Å; M16-K19 HydrophobicContact SD-CD 4.33Å; M16-K20 WeakPolarHBondContact O-CB 3.35Å; M16-K20 WeakPolarHBondContact O-CG 3.37Å; M16-K20 PolarHBondContact O-N 2.92Å
17	S	88.9	Confident	84.2	Confident	9 Å²	9	57 Å²	57	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-44	175.8	-57.2	0	0	0	0	112	N13 I14 S15 K20 L21 H48	N13-S17 WeakPolarHBondContact O-CB 3.47Å; N13-S17 PolarHBondContact O-N 3.27Å; N13-S17 PolarHBondContact O-OG 3.36Å; I14-S17 WeakPolarHBondContact O-CB 3.16Å; I14-S17 PolarHBondContact O-N 2.9Å; I14-S17 VanDerWaalsContact O-N 3.09Å; S15-S17 VanDerWaalsContact C-N 3.34Å; S15-S17 PolarHBondContact O-N 3.26Å; S17-K20 PolarHBondContact O-N 3.5Å; S17-L21 PolarHBondContact O-N 3.2Å; S17-L21 VanDerWaalsContact O-N 3.12Å; S17-H48 PolarHBondContact OG-ND1 2.95Å
18	V	89.3	Confident	83.3	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-47.9	174.7	172.7	0	0	0	0	110.4	I14 S15 K20 L21 Q22 L45 L146	I14-V18 HydrophobicContact CG2-CG2 4.04Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.49Å; I14-V18 PolarHBondContact O-N 3.4Å; S15-V18 PolarHBondContact O-N 2.81Å; V18-K20 PolarHBondContact O-N 3.37Å; V18-L21 PolarHBondContact O-N 2.81Å; V18-L21 VanDerWaalsContact O-N 3.15Å; V18-Q22 HydrophobicContact CG1-CG 4.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.47Å; V18-Q22 PolarHBondContact O-N 2.87Å; V18-L45 HydrophobicContact CG2-CD1 3.98Å; V18-L146 HydrophobicContact CB-CD2 4.47Å; V18-L146 HydrophobicContact CG1-CD2 4.08Å; V18-L146 HydrophobicContact CG2-CD1 4.47Å; V18-L146 HydrophobicContact CG2-CD2 4.07Å; V18-L146 HydrophobicContact CG2-CG 4.31Å
19	K	88.8	Confident	81.7	Confident	114 Å²	114	63.4 Å²	63.4	50%	0.496	33%	0.33	S	S	.	.	H	α-helix	trans	-58	-48.6	176.6	-75.4	171.4	-177.4	178.6	0	112.1	S15 M16 L21 Q22 S23	S15-K19 WeakPolarHBondContact O-CB 3.47Å; S15-K19 WeakPolarHBondContact O-CG 3.22Å; S15-K19 PolarHBondContact O-N 3.09Å; M16-K19 HydrophobicContact SD-CD 4.33Å; K19-L21 PolarHBondContact O-N 3.14Å; K19-Q22 PolarHBondContact O-N 2.97Å; K19-S23 PolarHBondContact O-N 3.15Å; K19-S23 PolarHBondContact O-OG 3.4Å; K19-S23 VanDerWaalsContact O-OG 3.05Å
20	K	85.1	Confident	79.9	Confident	86 Å²	86	63.2 Å²	63.2	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-37.4	176.4	-83.2	-175	169.1	-179.1	0	112	M16 S17 V18 S23 Y24 V41 D186	M16-K20 WeakPolarHBondContact O-CB 3.35Å; M16-K20 WeakPolarHBondContact O-CG 3.37Å; M16-K20 PolarHBondContact O-N 2.92Å; S17-K20 PolarHBondContact O-N 3.5Å; V18-K20 PolarHBondContact O-N 3.37Å; K20-S23 WeakPolarHBondContact CA-OG 3.42Å; K20-S23 PolarHBondContact O-OG 2.95Å; K20-Y24 WeakPolarHBondContact O-CB 3.24Å; K20-Y24 PolarHBondContact O-N 3.04Å; K20-V41 HydrophobicContact CB-CG1 4.22Å; K20-D186 IonicContact NZ-OD1 4Å; K20-D186 PolarHBondContact NZ-OD1 3.03Å; K20-D186 IonicContact NZ-OD2 2.86Å; K20-D186 PolarHBondContact NZ-OD2 2.82Å
21	L	85.2	Confident	78.3	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-75.3	-38.9	178.3	-160.4	72.4	0	0	0	112.9	S17 V18 K19 Y24 F25 I35 V41 L45 L146 I149 F151	S17-L21 PolarHBondContact O-N 3.2Å; S17-L21 VanDerWaalsContact O-N 3.12Å; V18-L21 PolarHBondContact O-N 2.81Å; V18-L21 VanDerWaalsContact O-N 3.15Å; K19-L21 PolarHBondContact O-N 3.14Å; L21-Y24 PolarHBondContact O-N 3.1Å; L21-F25 PolarHBondContact O-N 2.88Å; L21-I35 HydrophobicContact CD1-CD1 3.81Å; L21-I35 HydrophobicContact CD1-CG1 4.43Å; L21-I35 HydrophobicContact CD2-CD1 4.27Å; L21-I35 HydrophobicContact CG-CD1 4.09Å; L21-V41 HydrophobicContact CB-CG1 4.14Å; L21-V41 HydrophobicContact CD1-CB 3.94Å; L21-V41 HydrophobicContact CD1-CG1 3.61Å; L21-L45 HydrophobicContact CD2-CD2 3.84Å; L21-L146 HydrophobicContact CD2-CD2 4.05Å; L21-I149 HydrophobicContact CB-CD1 4.41Å; L21-I149 HydrophobicContact CD2-CD1 3.88Å; L21-I149 HydrophobicContact CD2-CG2 4.12Å; L21-I149 HydrophobicContact CG-CD1 4.04Å; L21-F151 HydrophobicContact CD2-CE1 3.74Å; L21-F151 HydrophobicContact CD2-CZ 3.72Å
22	Q	84.7	Confident	76.8	Confident	77 Å²	77	73.8 Å²	73.8	36%	0.36	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-45.3	174.5	-73.2	174.2	-30.5	0	0	111.9	V18 K19 Y24 F25 A26 G145 I149	V18-Q22 HydrophobicContact CG1-CG 4.23Å; V18-Q22 WeakPolarHBondContact O-CG 3.47Å; V18-Q22 PolarHBondContact O-N 2.87Å; K19-Q22 PolarHBondContact O-N 2.97Å; Q22-Y24 PolarHBondContact O-N 3.16Å; Q22-F25 PolarHBondContact O-N 3.02Å; Q22-A26 WeakPolarHBondContact O-CB 3.21Å; Q22-A26 PolarHBondContact O-N 3.21Å; Q22-G145 VanDerWaalsContact NE2-CA 3.35Å; Q22-G145 PolarHBondContact NE2-O 2.88Å; Q22-I149 HydrophobicContact CG-CD1 4.16Å
23	S	80.8	Confident	75.6	Confident	76 Å²	76	69.4 Å²	69.4	53%	0.531	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-30.1	176.3	57.5	0	0	0	0	112.5	K19 K20	K19-S23 PolarHBondContact O-N 3.15Å; K19-S23 PolarHBondContact O-OG 3.4Å; K19-S23 VanDerWaalsContact O-OG 3.05Å; K20-S23 WeakPolarHBondContact CA-OG 3.42Å; K20-S23 PolarHBondContact O-OG 2.95Å
24	Y	72.6	Confident	74.8	Confident	39 Å²	39	68.2 Å²	68.2	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-69.4	-48.6	172.3	173.1	-103.9	0	0	0	111.6	K20 L21 Q22 A26 A27 P33 F178	K20-Y24 WeakPolarHBondContact O-CB 3.24Å; K20-Y24 PolarHBondContact O-N 3.04Å; L21-Y24 PolarHBondContact O-N 3.1Å; Q22-Y24 PolarHBondContact O-N 3.16Å; Y24-A26 VanDerWaalsContact C-N 3.27Å; Y24-A26 PolarHBondContact O-N 2.94Å; Y24-A27 PolarHBondContact O-N 3.2Å; Y24-P33 HydrophobicContact CE1-CG 4.21Å; Y24-P33 VanDerWaalsContact OH-CG 3.23Å; Y24-P33 WeakPolarHBondContact OH-CG 3.38Å; Y24-F178 AromaticContact CZ-CD1 3.93Å; Y24-F178 WeakPolarHBondContact OH-CD1 3.38Å; Y24-F178 WeakPolarHBondContact OH-CE1 3.45Å
25	F	72.1	Confident	74.4	Confident	47 Å²	47	68.4 Å²	68.4	21%	0.206	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-34.3	178.9	-165.5	-94.8	0	0	0	112.5	L21 Q22 A27 T32 I149	L21-F25 PolarHBondContact O-N 2.88Å; Q22-F25 PolarHBondContact O-N 3.02Å; F25-A27 PolarHBondContact O-N 3.17Å; F25-T32 HydrophobicContact CE1-CG2 4.33Å; F25-T32 HydrophobicContact CE2-CG2 4.22Å; F25-T32 HydrophobicContact CZ-CG2 3.78Å; F25-I149 HydrophobicContact CD2-CG2 4.4Å
26	A	72.8	Confident	74.1	Confident	82 Å²	82	72.3 Å²	72.3	68%	0.678	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9	174.3	0	0	0	0	0	114.6	Q22 Y24	Q22-A26 WeakPolarHBondContact O-CB 3.21Å; Q22-A26 PolarHBondContact O-N 3.21Å; Y24-A26 VanDerWaalsContact C-N 3.27Å; Y24-A26 PolarHBondContact O-N 2.94Å
27	A	65.6	Low	74	Confident	75 Å²	75	68 Å²	68	62%	0.62	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	10.4	-179	0	0	0	0	0	113.8	Y24 F25	Y24-A27 PolarHBondContact O-N 3.2Å; F25-A27 PolarHBondContact O-N 3.17Å
28	C	64	Low	73.5	Confident	33 Å²	33	68.4 Å²	68.4	22%	0.223	37%	0.367	C	S	.	.			trans	-118	91	179.1	-70.4	0	0	0	0	110.4
29	E	53.6	Low	73.2	Confident	191 Å²	191	68.5 Å²	68.5	89%	0.893	37%	0.368	S	S	*	.			trans	-80.7	-36.7	-169.1	-60.8	-166.7	144.3	0	0	114.8
30	D	49.8	Very low	72.8	Confident	167 Å²	167	67.1 Å²	67.1	89%	0.893	36%	0.359	S	S	*	.	S	Bend	trans	-94.6	-39.5	-169.2	-88.3	-45.8	0	0	0	116.3
31	E	54.5	Low	72.7	Confident	177 Å²	177	64.4 Å²	64.4	83%	0.827	35%	0.35	S	S	*	.	S	Bend	trans	-139.5	117.8	169.2	-74.5	-162.2	161.8	0	0	109.6	P33	E31-P33 WeakPolarHBondContact O-CD 3.33Å; E31-P33 VanDerWaalsContact O-N 3.16Å
32	T	57.8	Low	72.9	Confident	64 Å²	64	64.4 Å²	64.4	39%	0.393	35%	0.35	S	S	.	.			trans	-67.6	109.8	178.8	59.1	0	0	0	0	110.2	F25	F25-T32 HydrophobicContact CE1-CG2 4.33Å; F25-T32 HydrophobicContact CE2-CG2 4.22Å; F25-T32 HydrophobicContact CZ-CG2 3.78Å
33	P	64	Low	73	Confident	30 Å²	30	61.5 Å²	61.5	20%	0.195	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-72.7	135.2	-179.2	29.8	-30.7	0	0	0	109.4	Y24 E31 F178	Y24-P33 HydrophobicContact CE1-CG 4.21Å; Y24-P33 VanDerWaalsContact OH-CG 3.23Å; Y24-P33 WeakPolarHBondContact OH-CG 3.38Å; E31-P33 WeakPolarHBondContact O-CD 3.33Å; E31-P33 VanDerWaalsContact O-N 3.16Å; P33-F178 HydrophobicContact CB-CE1 3.9Å; P33-F178 HydrophobicContact CB-CZ 4.16Å; P33-F178 HydrophobicContact CG-CE1 4.12Å
34	A	73.1	Confident	73.3	Confident	33 Å²	33	60 Å²	60	27%	0.273	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-76.5	129	171.4	0	0	0	0	0	109.5	R150 D152	A34-R150 WeakPolarHBondContact CA-O 3.4Å; A34-R150 HydrophobicContact CB-CB 4.42Å; A34-D152 HydrophobicContact CB-CB 3.57Å
35	I	82.2	Confident	74.1	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.8	-174.9	-73.2	145.2	0	0	0	110.3	L21 D39 L42 I149 R150 F151 D152 L153	L21-I35 HydrophobicContact CD1-CD1 3.81Å; L21-I35 HydrophobicContact CD1-CG1 4.43Å; L21-I35 HydrophobicContact CD2-CD1 4.27Å; L21-I35 HydrophobicContact CG-CD1 4.09Å; I35-D39 WeakPolarHBondContact CA-OD2 3.41Å; I35-D39 HydrophobicContact CG2-CB 4.3Å; I35-L42 HydrophobicContact CG2-CB 3.7Å; I35-L42 HydrophobicContact CG2-CD1 4.06Å; I35-L42 HydrophobicContact CG2-CD2 4.23Å; I35-L42 HydrophobicContact CG2-CG 4.19Å; I35-I149 HydrophobicContact CD1-CG2 3.28Å; I35-R150 PolarHBondContact N-O 3.09Å; I35-F151 HydrophobicContact CB-CD1 3.93Å; I35-F151 HydrophobicContact CB-CE1 4.38Å; I35-F151 HydrophobicContact CD1-CE1 4.33Å; I35-F151 HydrophobicContact CG2-CD1 3.78Å; I35-F151 HydrophobicContact CG2-CE1 4.06Å; I35-F151 CarbonylContact O-C 3.58Å; I35-F151 WeakPolarHBondContact O-CA 3.28Å; I35-D152 PolarHBondContact O-N 3.21Å; I35-L153 WeakPolarHBondContact O-CD2 3.46Å
36	R	84.9	Confident	75	Confident	107 Å²	107	55.9 Å²	55.9	40%	0.404	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.1	-167.9	-72.8	175.4	171.4	157.3	2.3	113	H38 D39 L42 D152	R36-H38 PolarHBondContact O-N 3.37Å; R36-D39 PolarHBondContact N-OD2 2.97Å; R36-D39 WeakPolarHBondContact O-CB 3.42Å; R36-D39 PolarHBondContact O-N 2.56Å; R36-L42 VanDerWaalsContact O-CD2 3.26Å; R36-L42 WeakPolarHBondContact O-CD2 3.39Å; R36-D152 HydrophobicContact CG-CB 4.13Å; R36-D152 IonicContact CZ-OD2 2.74Å; R36-D152 IonicContact NE-OD2 3.64Å; R36-D152 PolarHBondContact NE-OD2 2.97Å; R36-D152 IonicContact NH2-OD2 2.85Å; R36-D152 PolarHBondContact NH2-OD2 3.2Å; R36-D152 VanDerWaalsContact NH2-OD2 3.16Å
37	N	84.2	Confident	75.8	Confident	11 Å²	11	56 Å²	56	6%	0.059	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-25.6	-179.3	-70.7	25.9	0	0	0	115.7	Q43 L153 E154 Y159 M166	N37-Q43 PolarHBondContact O-NE2 3.38Å; N37-L153 VanDerWaalsContact OD1-CA 3.32Å; N37-L153 WeakPolarHBondContact OD1-CA 3.1Å; N37-E154 PolarHBondContact ND2-O 2.81Å; N37-E154 PolarHBondContact OD1-N 2.85Å; N37-Y159 PolarHBondContact ND2-OH 3.39Å; N37-M166 HydrophobicContact CB-SD 4.48Å
38	H	78.3	Confident	77	Confident	19 Å²	19	54.3 Å²	54.3	9%	0.088	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.3	178.5	48.4	-91.5	0	0	0	114.3	R36 R40 Q43 M166	R36-H38 PolarHBondContact O-N 3.37Å; H38-R40 PolarHBondContact O-N 2.92Å; H38-Q43 VanDerWaalsContact C-NE2 3.3Å; H38-Q43 PolarHBondContact O-NE2 3.22Å; H38-Q43 VanDerWaalsContact O-NE2 3.11Å; H38-M166 HydrophobicContact CB-CE 3.77Å
39	D	82.7	Confident	78.3	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	26%	0.257	C	S	.	.			trans	-73.9	115	-171.2	-61.3	-22.1	0	0	0	111.5	I35 R36 V41 L42 Q43 F178	I35-D39 WeakPolarHBondContact CA-OD2 3.41Å; I35-D39 HydrophobicContact CG2-CB 4.3Å; R36-D39 PolarHBondContact N-OD2 2.97Å; R36-D39 WeakPolarHBondContact O-CB 3.42Å; R36-D39 PolarHBondContact O-N 2.56Å; D39-V41 PolarHBondContact O-N 3.11Å; D39-L42 HydrophobicContact CB-CB 4.09Å; D39-L42 WeakPolarHBondContact O-CA 3.34Å; D39-L42 WeakPolarHBondContact O-CB 3.45Å; D39-L42 PolarHBondContact O-N 2.95Å; D39-Q43 WeakPolarHBondContact O-CG 3.4Å; D39-Q43 PolarHBondContact O-N 2.85Å; D39-F178 WeakPolarHBondContact OD1-CD2 3.22Å
40	R	81	Confident	80.1	Confident	85 Å²	85	43.9 Å²	43.9	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-21	-178.9	-157.1	-171.8	173.1	-159.8	-3.7	113.1	H38 R44 E179	H38-R40 PolarHBondContact O-N 2.92Å; R40-R44 WeakPolarHBondContact O-CB 3.47Å; R40-R44 WeakPolarHBondContact O-CG 3.43Å; R40-R44 PolarHBondContact O-N 3.02Å; R40-R44 VanDerWaalsContact O-N 3.17Å; R40-R44 PolarHBondContact O-NH1 3.06Å; R40-E179 WeakPolarHBondContact CD-OE1 3.26Å; R40-E179 WeakPolarHBondContact CD-OE2 3.41Å; R40-E179 IonicContact CZ-OE2 3.39Å; R40-E179 IonicContact NE-OE2 2.89Å; R40-E179 IonicContact NH1-OE1 3.87Å; R40-E179 PolarHBondContact NH1-OE1 2.94Å; R40-E179 IonicContact NH1-OE2 3.5Å; R40-E179 PolarHBondContact NH1-OE2 3.36Å
41	V	83.4	Confident	81.9	Confident	29 Å²	29	40.4 Å²	40.4	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-41.5	173.3	-163.2	0	0	0	0	111.2	K20 L21 D39 L45	K20-V41 HydrophobicContact CB-CG1 4.22Å; L21-V41 HydrophobicContact CB-CG1 4.14Å; L21-V41 HydrophobicContact CD1-CB 3.94Å; L21-V41 HydrophobicContact CD1-CG1 3.61Å; D39-V41 PolarHBondContact O-N 3.11Å; V41-L45 PolarHBondContact O-N 3.17Å; V41-L45 VanDerWaalsContact O-N 3.12Å
42	L	87.8	Confident	83.6	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-47.5	170.3	177.2	74	0	0	0	110.8	I35 R36 D39 R44 L45 C46 F151 L153	I35-L42 HydrophobicContact CG2-CB 3.7Å; I35-L42 HydrophobicContact CG2-CD1 4.06Å; I35-L42 HydrophobicContact CG2-CD2 4.23Å; I35-L42 HydrophobicContact CG2-CG 4.19Å; R36-L42 VanDerWaalsContact O-CD2 3.26Å; R36-L42 WeakPolarHBondContact O-CD2 3.39Å; D39-L42 HydrophobicContact CB-CB 4.09Å; D39-L42 WeakPolarHBondContact O-CA 3.34Å; D39-L42 WeakPolarHBondContact O-CB 3.45Å; D39-L42 PolarHBondContact O-N 2.95Å; L42-R44 PolarHBondContact O-N 2.98Å; L42-L45 CarbonylContact O-C 3.43Å; L42-L45 WeakPolarHBondContact O-CA 3.33Å; L42-L45 WeakPolarHBondContact O-CB 3.44Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-C46 PolarHBondContact O-N 2.94Å; L42-F151 HydrophobicContact CD1-CD1 3.7Å; L42-F151 HydrophobicContact CD1-CE1 3.68Å; L42-L153 HydrophobicContact CD1-CD1 4.45Å; L42-L153 HydrophobicContact CD1-CD2 4.42Å; L42-L153 HydrophobicContact CD2-CD1 4.45Å; L42-L153 HydrophobicContact CD2-CD2 3.41Å; L42-L153 VanDerWaalsContact CD2-CD2 3.41Å
43	Q	88	Confident	85.1	Confident	17 Å²	17	29 Å²	29	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-45.2	-177.6	-69.1	166.6	6.9	0	0	111.7	N37 H38 D39 L45 C46 E47	N37-Q43 PolarHBondContact O-NE2 3.38Å; H38-Q43 VanDerWaalsContact C-NE2 3.3Å; H38-Q43 PolarHBondContact O-NE2 3.22Å; H38-Q43 VanDerWaalsContact O-NE2 3.11Å; D39-Q43 WeakPolarHBondContact O-CG 3.4Å; D39-Q43 PolarHBondContact O-N 2.85Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.37Å; Q43-C46 PolarHBondContact O-N 3.2Å; Q43-E47 WeakPolarHBondContact O-CB 3.25Å; Q43-E47 PolarHBondContact O-N 2.9Å
44	R	86.4	Confident	86.2	Confident	44 Å²	44	29 Å²	29	17%	0.166	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-41	171.6	-74.2	172.5	-178.6	112.4	-18.8	112	R40 L42 H48 E179 D186	R40-R44 WeakPolarHBondContact O-CB 3.47Å; R40-R44 WeakPolarHBondContact O-CG 3.43Å; R40-R44 PolarHBondContact O-N 3.02Å; R40-R44 VanDerWaalsContact O-N 3.17Å; R40-R44 PolarHBondContact O-NH1 3.06Å; L42-R44 PolarHBondContact O-N 2.98Å; R44-H48 PolarHBondContact O-N 2.9Å; R44-H48 PolarHBondContact O-ND1 3.01Å; R44-E179 IonicContact CZ-OE1 3.92Å; R44-E179 VanDerWaalsContact CZ-OE1 3.31Å; R44-E179 IonicContact NH1-OE1 3.66Å; R44-E179 PolarHBondContact NH1-OE1 2.79Å; R44-E179 IonicContact NH2-OE1 2.78Å; R44-E179 PolarHBondContact NH2-OE1 2.92Å; R44-D186 IonicContact CZ-OD2 2.76Å; R44-D186 IonicContact NE-OD2 3.25Å; R44-D186 VanDerWaalsContact NH2-CB 3.28Å; R44-D186 IonicContact NH2-OD2 2.5Å; R44-D186 PolarHBondContact NH2-OD2 3.02Å
45	L	90.7	Very high	86.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-49.5	177.3	178.1	62.5	0	0	0	111.4	V18 L21 V41 L42 Q43 E47 H48 L49 L146	V18-L45 HydrophobicContact CG2-CD1 3.98Å; L21-L45 HydrophobicContact CD2-CD2 3.84Å; V41-L45 PolarHBondContact O-N 3.17Å; V41-L45 VanDerWaalsContact O-N 3.12Å; L42-L45 CarbonylContact O-C 3.43Å; L42-L45 WeakPolarHBondContact O-CA 3.33Å; L42-L45 WeakPolarHBondContact O-CB 3.44Å; L42-L45 PolarHBondContact O-N 3.46Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.37Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 2.69Å; L45-H48 PolarHBondContact O-N 3.29Å; L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.11Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.46Å; L45-L146 HydrophobicContact CD2-CD1 3.97Å; L45-L146 HydrophobicContact CD2-CD2 3.95Å
46	C	90.3	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-38.6	178.5	-73.4	0	0	0	0	112.7	L42 Q43 L49 D50 Y98	L42-C46 PolarHBondContact O-N 2.94Å; Q43-C46 PolarHBondContact O-N 3.2Å; C46-L49 PolarHBondContact O-N 2.96Å; C46-D50 VanDerWaalsContact O-CB 3.27Å; C46-D50 WeakPolarHBondContact O-CB 3.44Å; C46-D50 PolarHBondContact O-N 3.48Å; C46-Y98 HydrophobicContact CB-CE1 4.11Å
47	E	90.1	Very high	86.9	Confident	85 Å²	85	26.1 Å²	26.1	40%	0.397	13%	0.125	S	C	.	.	H	α-helix	trans	-60.5	-46.9	174.2	-177.6	176.7	-163.4	0	0	112	Q43 L45 H51 P164	Q43-E47 WeakPolarHBondContact O-CB 3.25Å; Q43-E47 PolarHBondContact O-N 2.9Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 2.69Å; E47-H51 WeakPolarHBondContact O-CB 3.33Å; E47-H51 PolarHBondContact O-N 3.47Å; E47-P164 HydrophobicContact CB-CG 4.26Å; E47-P164 HydrophobicContact CG-CG 4.38Å
48	H	90	Very high	86.9	Confident	38 Å²	38	30.2 Å²	30.2	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-69.5	-33.9	178.4	-69	111.7	0	0	0	113.2	N13 I14 S17 R44 L45 A52	N13-H48 VanDerWaalsContact CB-CD2 3.45Å; N13-H48 WeakPolarHBondContact CB-CD2 3.46Å; N13-H48 PolarHBondContact ND2-CD2 3.48Å; N13-H48 PolarHBondContact ND2-NE2 3.3Å; I14-H48 HydrophobicContact CG1-CB 3.79Å; S17-H48 PolarHBondContact OG-ND1 2.95Å; R44-H48 PolarHBondContact O-N 2.9Å; R44-H48 PolarHBondContact O-ND1 3.01Å; L45-H48 PolarHBondContact O-N 3.29Å; H48-A52 WeakPolarHBondContact O-CB 3.21Å; H48-A52 PolarHBondContact O-N 3.31Å
49	L	91.8	Very high	87	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-45.2	174.1	-68.1	176.1	0	0	0	112	I14 L45 C46 H51 A52 L53 L97 L101 L106 F139 V143	I14-L49 HydrophobicContact CD1-CD2 4.29Å; I14-L49 HydrophobicContact CG2-CD2 4.43Å; L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.11Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.33Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.46Å; C46-L49 PolarHBondContact O-N 2.96Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.11Å; L49-A52 PolarHBondContact O-N 2.9Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.78Å; L49-L97 HydrophobicContact CB-CD1 4.22Å; L49-L97 HydrophobicContact CB-CD2 3.85Å; L49-L97 HydrophobicContact CD1-CD1 4.27Å; L49-L101 HydrophobicContact CD1-CD1 4.21Å; L49-L101 HydrophobicContact CD1-CD2 4.27Å; L49-L106 HydrophobicContact CD1-CD2 4.19Å; L49-F139 HydrophobicContact CD2-CE2 3.52Å; L49-F139 HydrophobicContact CD2-CZ 3.88Å; L49-V143 HydrophobicContact CD2-CG2 4.4Å
50	D	91.1	Very high	86.9	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.3	-166.7	54.1	0	0	0	110	C46 L53 L54 Y64 R94 P164	C46-D50 VanDerWaalsContact O-CB 3.27Å; C46-D50 WeakPolarHBondContact O-CB 3.44Å; C46-D50 PolarHBondContact O-N 3.48Å; D50-L53 PolarHBondContact O-N 3.39Å; D50-L54 WeakPolarHBondContact O-CB 3.34Å; D50-L54 WeakPolarHBondContact O-CG 3.45Å; D50-L54 PolarHBondContact O-N 3.01Å; D50-Y64 WeakPolarHBondContact OD1-CE1 3.47Å; D50-Y64 PolarHBondContact OD1-OH 3.36Å; D50-Y64 VanDerWaalsContact OD1-OH 3.12Å; D50-R94 WeakPolarHBondContact OD1-CG 3.37Å; D50-R94 IonicContact OD1-NE 3.08Å; D50-R94 PolarHBondContact OD1-NE 3.3Å; D50-R94 IonicContact OD2-CZ 2.8Å; D50-R94 VanDerWaalsContact OD2-CZ 3.28Å; D50-R94 IonicContact OD2-NE 2.8Å; D50-R94 PolarHBondContact OD2-NE 2.96Å; D50-R94 IonicContact OD2-NH2 3.32Å; D50-R94 PolarHBondContact OD2-NH2 3.2Å; D50-P164 HydrophobicContact CB-CB 3.88Å; D50-P164 HydrophobicContact CB-CG 4.37Å
51	H	88.4	Confident	86.6	Confident	94 Å²	94	37.3 Å²	37.3	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-42.8	175.8	-176.9	-115.9	0	0	0	113.2	E47 L49 L53 L54 Y55	E47-H51 WeakPolarHBondContact O-CB 3.33Å; E47-H51 PolarHBondContact O-N 3.47Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.11Å; H51-L53 VanDerWaalsContact C-N 3.33Å; H51-L53 PolarHBondContact O-N 2.98Å; H51-L54 PolarHBondContact O-N 3.02Å; H51-Y55 WeakPolarHBondContact O-CB 3.34Å; H51-Y55 PolarHBondContact O-N 2.87Å
52	A	88.9	Confident	86.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-33.6	177.6	0	0	0	0	0	113.4	I10 I14 H48 L49 L129 F139	I10-A52 HydrophobicContact CG2-CB 3.65Å; I14-A52 HydrophobicContact CD1-CB 3.74Å; H48-A52 WeakPolarHBondContact O-CB 3.21Å; H48-A52 PolarHBondContact O-N 3.31Å; L49-A52 PolarHBondContact O-N 2.9Å; A52-L129 HydrophobicContact CB-CD1 4.26Å; A52-F139 HydrophobicContact CB-CE1 4.38Å; A52-F139 HydrophobicContact CB-CZ 4.22Å
53	L	89	Confident	86.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-78.9	-27.6	174.8	-67.5	173.2	0	0	0	112.7	L49 D50 H51 Y64 W96 L97 L110 F113 Y124 V130 F139	L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 2.78Å; D50-L53 PolarHBondContact O-N 3.39Å; H51-L53 VanDerWaalsContact C-N 3.33Å; H51-L53 PolarHBondContact O-N 2.98Å; L53-Y64 HydrophobicContact CB-CD1 3.58Å; L53-Y64 HydrophobicContact CB-CD2 4.45Å; L53-Y64 HydrophobicContact CB-CE1 3.63Å; L53-Y64 HydrophobicContact CB-CE2 4.47Å; L53-Y64 HydrophobicContact CB-CG 4.02Å; L53-Y64 HydrophobicContact CD1-CD2 4.16Å; L53-Y64 HydrophobicContact CD1-CE1 4.15Å; L53-Y64 HydrophobicContact CD1-CE2 3.71Å; L53-W96 HydrophobicContact CD1-CZ3 4.22Å; L53-L97 HydrophobicContact CD1-CD1 4.18Å; L53-L110 HydrophobicContact CD2-CD2 4.43Å; L53-F113 HydrophobicContact CD2-CE2 4.12Å; L53-Y124 VanDerWaalsContact O-CE1 3.24Å; L53-Y124 WeakPolarHBondContact O-CE1 3.49Å; L53-Y124 PolarHBondContact O-OH 3.12Å; L53-V130 HydrophobicContact CD2-CG1 4.46Å; L53-F139 HydrophobicContact CD2-CE1 4.26Å
54	L	87.6	Confident	86.3	Confident	31 Å²	31	36.3 Å²	36.3	16%	0.162	19%	0.191	C	C	.	.	H	α-helix	trans	-81.7	-20.9	172.8	-67.4	168.9	0	0	0	112.7	D50 H51 G56 L57 Y64 L90	D50-L54 WeakPolarHBondContact O-CB 3.34Å; D50-L54 WeakPolarHBondContact O-CG 3.45Å; D50-L54 PolarHBondContact O-N 3.01Å; H51-L54 PolarHBondContact O-N 3.02Å; L54-G56 PolarHBondContact O-N 3.14Å; L54-L57 HydrophobicContact CD2-CD2 3.89Å; L54-L57 WeakPolarHBondContact O-CB 3.36Å; L54-L57 PolarHBondContact O-N 3.23Å; L54-L57 VanDerWaalsContact O-N 3.1Å; L54-Y64 HydrophobicContact CD2-CD1 3.97Å; L54-Y64 HydrophobicContact CD2-CE1 4.34Å; L54-Y64 HydrophobicContact CG-CD1 4.22Å; L54-Y64 HydrophobicContact CG-CE1 4.25Å; L54-L90 HydrophobicContact CD1-CD1 4.31Å; L54-L90 HydrophobicContact CD2-CD1 4.11Å
55	Y	86.9	Confident	86.5	Confident	50 Å²	50	34.9 Å²	34.9	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	101.8	-175.3	-173.8	-93.5	0	0	0	113.3	V6 K7 I10 H51 A128 L129	V6-Y55 HydrophobicContact CG1-CD2 4.49Å; V6-Y55 HydrophobicContact CG1-CE2 3.58Å; K7-Y55 HydrophobicContact CG-CE1 3.92Å; I10-Y55 HydrophobicContact CD1-CD1 4.44Å; I10-Y55 HydrophobicContact CD1-CD2 3.71Å; I10-Y55 HydrophobicContact CD1-CE2 4.21Å; I10-Y55 HydrophobicContact CD1-CG 3.84Å; H51-Y55 WeakPolarHBondContact O-CB 3.34Å; H51-Y55 PolarHBondContact O-N 2.87Å; Y55-A128 WeakPolarHBondContact O-CB 3.48Å; Y55-L129 HydrophobicContact CD1-CB 3.98Å
56	G	81.7	Confident	86.2	Confident	24 Å²	24	37 Å²	37	25%	0.247	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	14.4	-180	0	0	0	0	0	114.6	L54 Y124 F125	L54-G56 PolarHBondContact O-N 3.14Å; G56-Y124 CarbonylContact O-C 3.53Å; G56-Y124 VanDerWaalsContact O-CA 3.32Å; G56-Y124 WeakPolarHBondContact O-CA 3.41Å; G56-F125 WeakPolarHBondContact O-CD2 3.22Å; G56-F125 PolarHBondContact O-N 3.24Å
57	L	87.3	Confident	86.1	Confident	9 Å²	9	37 Å²	37	5%	0.047	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-66.5	139	167.9	-175.6	68.7	0	0	0	110.4	L54 D59 G63 Y124	L54-L57 HydrophobicContact CD2-CD2 3.89Å; L54-L57 WeakPolarHBondContact O-CB 3.36Å; L54-L57 PolarHBondContact O-N 3.23Å; L54-L57 VanDerWaalsContact O-N 3.1Å; L57-D59 WeakPolarHBondContact CD2-O 3.36Å; L57-G63 VanDerWaalsContact CD2-C 3.48Å; L57-Y124 HydrophobicContact CB-CD1 4.24Å; L57-Y124 HydrophobicContact CB-CE1 4.01Å; L57-Y124 HydrophobicContact CD1-CD1 4.45Å; L57-Y124 HydrophobicContact CD1-CD2 4.11Å; L57-Y124 HydrophobicContact CD1-CE1 4.11Å; L57-Y124 HydrophobicContact CD1-CE2 3.69Å; L57-Y124 HydrophobicContact CD1-CG 4.47Å
58	Q	83.3	Confident	86	Confident	96 Å²	96	33 Å²	33	45%	0.449	18%	0.18	S	C	.	.	S	Bend	trans	-77.1	-30.1	-176.4	-66.6	178.3	35	0	0	113.6	K122 Y123 Y124 F125	Q58-K122 PolarHBondContact NE2-O 3.05Å; Q58-Y123 VanDerWaalsContact CB-O 3.29Å; Q58-Y123 WeakPolarHBondContact CB-O 3.24Å; Q58-Y123 VanDerWaalsContact CG-O 3.3Å; Q58-Y123 WeakPolarHBondContact CG-O 3.48Å; Q58-Y123 PolarHBondContact N-O 2.86Å; Q58-Y124 PolarHBondContact NE2-O 3.05Å; Q58-F125 HydrophobicContact CB-CE2 4.3Å; Q58-F125 HydrophobicContact CB-CZ 4.35Å; Q58-F125 HydrophobicContact CG-CD1 4.18Å; Q58-F125 HydrophobicContact CG-CD2 4.06Å; Q58-F125 HydrophobicContact CG-CE1 4.05Å; Q58-F125 HydrophobicContact CG-CE2 3.93Å; Q58-F125 HydrophobicContact CG-CG 4.19Å; Q58-F125 HydrophobicContact CG-CZ 3.92Å
59	D	81.3	Confident	85.9	Confident	69 Å²	69	33.6 Å²	33.6	37%	0.369	19%	0.186	S	C	.	.			trans	-129.1	97.2	173.7	175.9	12.1	0	0	0	110.1	L57 S61 S62	L57-D59 WeakPolarHBondContact CD2-O 3.36Å; D59-S61 PolarHBondContact O-N 3.03Å; D59-S61 WeakPolarHBondContact OD1-CA 3.5Å; D59-S61 WeakPolarHBondContact OD1-CB 3.17Å; D59-S61 PolarHBondContact OD1-N 3.18Å; D59-S61 PolarHBondContact OD1-OG 2.67Å; D59-S62 PolarHBondContact O-N 3.15Å; D59-S62 PolarHBondContact OD1-N 3.08Å; D59-S62 WeakPolarHBondContact OD2-CB 3.24Å; D59-S62 PolarHBondContact OD2-OG 2.94Å
60	I	80.6	Confident	85.6	Confident	94 Å²	94	39 Å²	39	48%	0.482	21%	0.211	S	C	.	.	S	Bend	trans	-65.1	-29.8	178.3	-58.3	172.1	0	0	0	111.1	S62 G63	I60-S62 PolarHBondContact O-N 2.77Å; I60-G63 PolarHBondContact O-N 3.12Å; I60-G63 VanDerWaalsContact O-N 3.15Å
61	S	74.3	Confident	85.3	Confident	97 Å²	97	40.1 Å²	40.1	68%	0.678	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.4	-176.4	75.8	0	0	0	0	113.3	D59	D59-S61 PolarHBondContact O-N 3.03Å; D59-S61 WeakPolarHBondContact OD1-CA 3.5Å; D59-S61 WeakPolarHBondContact OD1-CB 3.17Å; D59-S61 PolarHBondContact OD1-N 3.18Å; D59-S61 PolarHBondContact OD1-OG 2.67Å
62	S	78.1	Confident	85.3	Confident	26 Å²	26	36.3 Å²	36.3	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.4	170.8	-71.6	0	0	0	0	113.9	D59 I60 N89	D59-S62 PolarHBondContact O-N 3.15Å; D59-S62 PolarHBondContact OD1-N 3.08Å; D59-S62 WeakPolarHBondContact OD2-CB 3.24Å; D59-S62 PolarHBondContact OD2-OG 2.94Å; I60-S62 PolarHBondContact O-N 2.77Å; S62-N89 WeakPolarHBondContact O-CB 3.49Å
63	G	85.6	Confident	85.1	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-176.7	-172.5	0	0	0	0	0	113.4	L57 I60 W65	L57-G63 VanDerWaalsContact CD2-C 3.48Å; I60-G63 PolarHBondContact O-N 3.12Å; I60-G63 VanDerWaalsContact O-N 3.15Å; G63-W65 VanDerWaalsContact C-N 3.26Å; G63-W65 PolarHBondContact O-N 2.98Å
64	Y	89.2	Confident	84.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.5	178.7	45.6	-92.5	0	0	0	113.6	D50 L53 L54 V66 L67 V68 S93 W96	D50-Y64 WeakPolarHBondContact OD1-CE1 3.47Å; D50-Y64 PolarHBondContact OD1-OH 3.36Å; D50-Y64 VanDerWaalsContact OD1-OH 3.12Å; L53-Y64 HydrophobicContact CB-CD1 3.58Å; L53-Y64 HydrophobicContact CB-CD2 4.45Å; L53-Y64 HydrophobicContact CB-CE1 3.63Å; L53-Y64 HydrophobicContact CB-CE2 4.47Å; L53-Y64 HydrophobicContact CB-CG 4.02Å; L53-Y64 HydrophobicContact CD1-CD2 4.16Å; L53-Y64 HydrophobicContact CD1-CE1 4.15Å; L53-Y64 HydrophobicContact CD1-CE2 3.71Å; L54-Y64 HydrophobicContact CD2-CD1 3.97Å; L54-Y64 HydrophobicContact CD2-CE1 4.34Å; L54-Y64 HydrophobicContact CG-CD1 4.22Å; L54-Y64 HydrophobicContact CG-CE1 4.25Å; Y64-V66 VanDerWaalsContact C-N 3.26Å; Y64-V66 PolarHBondContact O-N 2.88Å; Y64-L67 PolarHBondContact O-N 3.33Å; Y64-V68 HydrophobicContact CD2-CG2 4.01Å; Y64-V68 WeakPolarHBondContact O-CB 3.34Å; Y64-V68 PolarHBondContact O-N 3.43Å; Y64-S93 WeakPolarHBondContact CE2-O 3.47Å; Y64-S93 PolarHBondContact N-OG 2.94Å; Y64-S93 VanDerWaalsContact N-OG 3.16Å; Y64-S93 PolarHBondContact OH-O 3.26Å; Y64-W96 HydrophobicContact CD2-CE3 4.35Å; Y64-W96 HydrophobicContact CD2-CZ3 4.45Å; Y64-W96 AromaticContact CE2-CE3 3.88Å; Y64-W96 HydrophobicContact CE2-CE3 3.88Å; Y64-W96 HydrophobicContact CE2-CZ3 4.13Å
65	W	89.7	Confident	84.7	Confident	14 Å²	14	55.1 Å²	55.1	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-50.4	-41.2	175.9	-175.1	-124.2	0	0	0	113.5	G63 L67 V68 V69 V77 I80 R92 S93 W96	G63-W65 VanDerWaalsContact C-N 3.26Å; G63-W65 PolarHBondContact O-N 2.98Å; W65-L67 PolarHBondContact O-N 2.87Å; W65-L67 VanDerWaalsContact O-N 3.17Å; W65-V68 HydrophobicContact CE3-CB 4.5Å; W65-V68 HydrophobicContact CE3-CG1 3.82Å; W65-V68 HydrophobicContact CZ3-CG1 3.98Å; W65-V68 PolarHBondContact O-N 3.43Å; W65-V69 HydrophobicContact CZ2-CG2 4.28Å; W65-V69 WeakPolarHBondContact O-CB 3.13Å; W65-V69 WeakPolarHBondContact O-CG1 3.46Å; W65-V69 PolarHBondContact O-N 3.24Å; W65-V77 HydrophobicContact CH2-CB 4.49Å; W65-V77 HydrophobicContact CH2-CG1 4.38Å; W65-V77 HydrophobicContact CH2-CG2 4.28Å; W65-V77 HydrophobicContact CZ2-CG1 4.22Å; W65-I80 HydrophobicContact CH2-CB 3.77Å; W65-I80 HydrophobicContact CH2-CD1 3.67Å; W65-I80 HydrophobicContact CH2-CG1 4.33Å; W65-I80 HydrophobicContact CH2-CG2 3.62Å; W65-I80 HydrophobicContact CZ2-CB 4.17Å; W65-I80 HydrophobicContact CZ2-CG2 3.75Å; W65-I80 HydrophobicContact CZ3-CB 4.45Å; W65-I80 HydrophobicContact CZ3-CD1 3.66Å; W65-I80 HydrophobicContact CZ3-CG2 4.09Å; W65-R92 HydrophobicContact CB-CB 4.37Å; W65-R92 HydrophobicContact CD2-CB 3.89Å; W65-R92 HydrophobicContact CE3-CB 4.49Å; W65-R92 HydrophobicContact CG-CB 3.81Å; W65-S93 WeakPolarHBondContact CB-OG 3.24Å; W65-S93 PolarHBondContact N-OG 3.1Å; W65-W96 HydrophobicContact CE3-CB 4.14Å; W65-W96 HydrophobicContact CZ3-CB 3.95Å; W65-W96 HydrophobicContact CZ3-CG 4.21Å
66	V	86	Confident	84.7	Confident	43 Å²	43	52.9 Å²	52.9	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-15.7	-179.3	-63.8	0	0	0	0	114.7	Y64 Y123	Y64-V66 VanDerWaalsContact C-N 3.26Å; Y64-V66 PolarHBondContact O-N 2.88Å; V66-Y123 HydrophobicContact CB-CE1 4.19Å; V66-Y123 HydrophobicContact CG2-CD1 3.82Å; V66-Y123 HydrophobicContact CG2-CE1 3.97Å; V66-Y123 WeakPolarHBondContact O-CE1 3.31Å
67	L	86.9	Confident	85	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-94.9	-51.2	165.7	176.7	70.8	0	0	0	110.5	Y64 W65 V69 H70 F71 F113 L119 L120 Y123 Y124	Y64-L67 PolarHBondContact O-N 3.33Å; W65-L67 PolarHBondContact O-N 2.87Å; W65-L67 VanDerWaalsContact O-N 3.17Å; L67-V69 PolarHBondContact O-N 2.83Å; L67-H70 WeakPolarHBondContact O-CB 3.43Å; L67-H70 PolarHBondContact O-N 3.37Å; L67-F71 HydrophobicContact CD1-CE2 3.78Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 HydrophobicContact CG-CD2 4.35Å; L67-F71 HydrophobicContact CG-CE2 3.87Å; L67-F113 HydrophobicContact CD2-CE1 4.41Å; L67-F113 HydrophobicContact CD2-CZ 4.47Å; L67-L119 HydrophobicContact CD1-CD2 3.9Å; L67-L119 HydrophobicContact CD1-CG 3.77Å; L67-L120 HydrophobicContact CD2-CD1 3.44Å; L67-L120 VanDerWaalsContact CD2-CD1 3.44Å; L67-Y123 HydrophobicContact CB-CD2 4.45Å; L67-Y123 HydrophobicContact CB-CG 4.3Å; L67-Y123 HydrophobicContact CD1-CD2 3.73Å; L67-Y123 HydrophobicContact CD1-CE2 4.13Å; L67-Y123 HydrophobicContact CD1-CG 4.35Å; L67-Y124 HydrophobicContact CD2-CD2 4.2Å; L67-Y124 HydrophobicContact CD2-CE2 3.6Å
68	V	87.7	Confident	85	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-34.6	-171.8	151.7	0	0	0	0	113.2	Y64 W65 H70 F71 T72 W96 F113	Y64-V68 HydrophobicContact CD2-CG2 4.01Å; Y64-V68 WeakPolarHBondContact O-CB 3.34Å; Y64-V68 PolarHBondContact O-N 3.43Å; W65-V68 HydrophobicContact CE3-CB 4.5Å; W65-V68 HydrophobicContact CE3-CG1 3.82Å; W65-V68 HydrophobicContact CZ3-CG1 3.98Å; W65-V68 PolarHBondContact O-N 3.43Å; V68-H70 PolarHBondContact O-N 3.05Å; V68-H70 VanDerWaalsContact O-N 3.1Å; V68-F71 PolarHBondContact O-N 2.96Å; V68-T72 VanDerWaalsContact CG1-OG1 3.27Å; V68-T72 WeakPolarHBondContact CG1-OG1 3.44Å; V68-T72 WeakPolarHBondContact O-CB 3.27Å; V68-T72 PolarHBondContact O-N 2.76Å; V68-T72 PolarHBondContact O-OG1 3.04Å; V68-W96 HydrophobicContact CB-CD2 4.47Å; V68-W96 HydrophobicContact CG1-CB 4.32Å; V68-W96 VanDerWaalsContact CG1-CD1 3.48Å; V68-W96 HydrophobicContact CG1-CD2 3.4Å; V68-W96 HydrophobicContact CG1-CE3 4.09Å; V68-W96 HydrophobicContact CG1-CG 3.48Å; V68-W96 VanDerWaalsContact CG1-CG 3.48Å; V68-W96 HydrophobicContact CG1-CH2 4.47Å; V68-W96 HydrophobicContact CG1-CZ2 3.85Å; V68-W96 HydrophobicContact CG2-CD2 4.28Å; V68-W96 HydrophobicContact CG2-CE3 4.18Å; V68-W96 HydrophobicContact CG2-CH2 3.88Å; V68-W96 HydrophobicContact CG2-CZ2 3.98Å; V68-W96 HydrophobicContact CG2-CZ3 4Å; V68-F113 HydrophobicContact CG2-CE1 4.42Å; V68-F113 HydrophobicContact CG2-CZ 3.88Å
69	V	88	Confident	85.2	Confident	52 Å²	52	57.3 Å²	57.3	32%	0.315	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.3	176	72.2	0	0	0	0	113.4	W65 L67 V77	W65-V69 HydrophobicContact CZ2-CG2 4.28Å; W65-V69 WeakPolarHBondContact O-CB 3.13Å; W65-V69 WeakPolarHBondContact O-CG1 3.46Å; W65-V69 PolarHBondContact O-N 3.24Å; L67-V69 PolarHBondContact O-N 2.83Å; V69-V77 HydrophobicContact CG2-CG1 3.82Å; V69-V77 HydrophobicContact CG2-CG2 3.98Å
70	H	85.4	Confident	85.5	Confident	113 Å²	113	54.2 Å²	54.2	52%	0.523	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.9	174.9	-67.8	-63.5	0	0	0	114.2	L67 V68 L119	L67-H70 WeakPolarHBondContact O-CB 3.43Å; L67-H70 PolarHBondContact O-N 3.37Å; V68-H70 PolarHBondContact O-N 3.05Å; V68-H70 VanDerWaalsContact O-N 3.1Å; H70-L119 HydrophobicContact CB-CD2 3.95Å
71	F	85.9	Confident	85.8	Confident	30 Å²	30	54.2 Å²	54.2	13%	0.132	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-22.4	-179.6	-60.1	-69	0	0	0	113.2	L67 V68 Y109 L112 F113 N116 L119	L67-F71 HydrophobicContact CD1-CE2 3.78Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 HydrophobicContact CG-CD2 4.35Å; L67-F71 HydrophobicContact CG-CE2 3.87Å; V68-F71 PolarHBondContact O-N 2.96Å; F71-Y109 HydrophobicContact CB-CD1 4.39Å; F71-Y109 WeakPolarHBondContact O-CE1 3.44Å; F71-L112 HydrophobicContact CB-CD1 4.22Å; F71-L112 HydrophobicContact CD1-CB 3.74Å; F71-L112 HydrophobicContact CD1-CD1 4.32Å; F71-L112 HydrophobicContact CE1-CB 4.16Å; F71-L112 HydrophobicContact CG-CB 4.31Å; F71-F113 AromaticContact CD2-CD1 3.78Å; F71-F113 HydrophobicContact CD2-CD1 3.78Å; F71-F113 AromaticContact CD2-CE1 3.57Å; F71-F113 HydrophobicContact CD2-CE1 3.57Å; F71-F113 AromaticContact CE2-CD1 3.7Å; F71-F113 HydrophobicContact CE2-CD1 3.7Å; F71-F113 AromaticContact CE2-CE1 3.89Å; F71-F113 HydrophobicContact CE2-CE1 3.89Å; F71-F113 HydrophobicContact CG-CD1 4.43Å; F71-F113 HydrophobicContact CG-CE1 4.33Å; F71-F113 HydrophobicContact CZ-CD1 4.33Å; F71-N116 HydrophobicContact CE1-CB 3.71Å; F71-N116 HydrophobicContact CZ-CB 3.74Å; F71-L119 HydrophobicContact CE2-CD2 4.09Å; F71-L119 HydrophobicContact CZ-CD2 3.82Å
72	T	87.1	Confident	86.4	Confident	13 Å²	13	56.4 Å²	56.4	8%	0.08	26%	0.259	C	S	.	.	S	Bend	trans	-72.3	143.6	-176.9	-57.8	0	0	0	0	111.8	V68 A76 V77 W96	V68-T72 VanDerWaalsContact CG1-OG1 3.27Å; V68-T72 WeakPolarHBondContact CG1-OG1 3.44Å; V68-T72 WeakPolarHBondContact O-CB 3.27Å; V68-T72 PolarHBondContact O-N 2.76Å; V68-T72 PolarHBondContact O-OG1 3.04Å; T72-A76 HydrophobicContact CG2-CB 3.66Å; T72-V77 HydrophobicContact CG2-CG2 3.74Å; T72-W96 PolarHBondContact OG1-NE1 2.9Å
73	R	86.4	Confident	86.9	Confident	140 Å²	140	56.6 Å²	56.6	53%	0.528	26%	0.258	S	S	.	.			trans	-58.1	138.3	175.1	-61	172.3	-177.9	154.5	-1.3	110.2	E75 A76 V77 E103	R73-E75 PolarHBondContact O-N 3.2Å; R73-E75 VanDerWaalsContact O-N 3.08Å; R73-A76 HydrophobicContact CB-CB 4.24Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.21Å; R73-V77 PolarHBondContact O-N 3.47Å; R73-E103 IonicContact CZ-OE2 2.98Å; R73-E103 VanDerWaalsContact NH1-CD 3.3Å; R73-E103 IonicContact NH1-OE1 2.72Å; R73-E103 PolarHBondContact NH1-OE1 3.1Å; R73-E103 IonicContact NH1-OE2 3.74Å; R73-E103 PolarHBondContact NH1-OE2 3.25Å
74	R	84.4	Confident	86.6	Confident	175 Å²	175	64.6 Å²	64.6	66%	0.66	30%	0.295	S	S	*	.	H	α-helix	trans	-53.6	-34.1	-178.5	175.4	-178.3	-176.3	149.9	5	113.4	R78	R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.28Å; R74-R78 VanDerWaalsContact O-N 3.1Å
75	E	84.1	Confident	86.1	Confident	111 Å²	111	69.4 Å²	69.4	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-74.3	-39.1	180	-74.6	50.1	-117.2	0	0	111.4	R73 R78 Q79	R73-E75 PolarHBondContact O-N 3.2Å; R73-E75 VanDerWaalsContact O-N 3.08Å; E75-R78 WeakPolarHBondContact O-CB 3.4Å; E75-R78 PolarHBondContact O-N 3.01Å; E75-R78 IonicContact OE1-NH1 3.24Å; E75-R78 PolarHBondContact OE1-NH1 3.39Å; E75-Q79 PolarHBondContact O-N 3.49Å
76	A	86.4	Confident	85.9	Confident	3 Å²	3	69 Å²	69	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-36.4	171.3	0	0	0	0	0	112.2	T72 R73 Q79 I80 L99	T72-A76 HydrophobicContact CG2-CB 3.66Å; R73-A76 HydrophobicContact CB-CB 4.24Å; R73-A76 WeakPolarHBondContact O-CB 3.41Å; R73-A76 PolarHBondContact O-N 3.21Å; A76-Q79 PolarHBondContact O-N 3.4Å; A76-I80 WeakPolarHBondContact O-CD1 3.4Å; A76-I80 WeakPolarHBondContact O-CG1 3.5Å; A76-I80 PolarHBondContact O-N 2.84Å; A76-I80 VanDerWaalsContact O-N 3.1Å; A76-L99 HydrophobicContact CB-CD2 3.65Å
77	V	88	Confident	85.7	Confident	20 Å²	20	70.6 Å²	70.6	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-46.4	172.1	175.1	0	0	0	0	110.9	W65 V69 T72 R73 Q79 I80 D81	W65-V77 HydrophobicContact CH2-CB 4.49Å; W65-V77 HydrophobicContact CH2-CG1 4.38Å; W65-V77 HydrophobicContact CH2-CG2 4.28Å; W65-V77 HydrophobicContact CZ2-CG1 4.22Å; V69-V77 HydrophobicContact CG2-CG1 3.82Å; V69-V77 HydrophobicContact CG2-CG2 3.98Å; T72-V77 HydrophobicContact CG2-CG2 3.74Å; R73-V77 PolarHBondContact O-N 3.47Å; V77-Q79 PolarHBondContact O-N 3.1Å; V77-I80 PolarHBondContact O-N 2.88Å; V77-D81 WeakPolarHBondContact O-CB 3.45Å; V77-D81 PolarHBondContact O-N 3Å
78	R	86.6	Confident	85.7	Confident	112 Å²	112	73.3 Å²	73.3	42%	0.423	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-45.2	174.1	-76.3	162.6	153.2	165	-16.5	112.6	R74 E75 I80 D81 E82	R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.28Å; R74-R78 VanDerWaalsContact O-N 3.1Å; E75-R78 WeakPolarHBondContact O-CB 3.4Å; E75-R78 PolarHBondContact O-N 3.01Å; E75-R78 IonicContact OE1-NH1 3.24Å; E75-R78 PolarHBondContact OE1-NH1 3.39Å; R78-I80 PolarHBondContact O-N 3.19Å; R78-D81 PolarHBondContact O-N 3.49Å; R78-E82 VanDerWaalsContact O-CB 3.29Å; R78-E82 WeakPolarHBondContact O-CB 3.45Å; R78-E82 VanDerWaalsContact O-CG 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.45Å; R78-E82 PolarHBondContact O-N 3.07Å
79	Q	87.2	Confident	85.7	Confident	91 Å²	91	76 Å²	76	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-58.1	-34.6	178.4	-175.1	177.4	-3.1	0	0	112.2	E75 A76 V77 L83	E75-Q79 PolarHBondContact O-N 3.49Å; A76-Q79 PolarHBondContact O-N 3.4Å; V77-Q79 PolarHBondContact O-N 3.1Å; Q79-L83 WeakPolarHBondContact O-CD2 3.45Å; Q79-L83 WeakPolarHBondContact O-CG 3.34Å
80	I	88	Confident	85.6	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-82.6	-33.2	178.3	-65.6	161.9	0	0	0	112.2	W65 A76 V77 R78 E82 L83 R92 W96 L99	W65-I80 HydrophobicContact CH2-CB 3.77Å; W65-I80 HydrophobicContact CH2-CD1 3.67Å; W65-I80 HydrophobicContact CH2-CG1 4.33Å; W65-I80 HydrophobicContact CH2-CG2 3.62Å; W65-I80 HydrophobicContact CZ2-CB 4.17Å; W65-I80 HydrophobicContact CZ2-CG2 3.75Å; W65-I80 HydrophobicContact CZ3-CB 4.45Å; W65-I80 HydrophobicContact CZ3-CD1 3.66Å; W65-I80 HydrophobicContact CZ3-CG2 4.09Å; A76-I80 WeakPolarHBondContact O-CD1 3.4Å; A76-I80 WeakPolarHBondContact O-CG1 3.5Å; A76-I80 PolarHBondContact O-N 2.84Å; A76-I80 VanDerWaalsContact O-N 3.1Å; V77-I80 PolarHBondContact O-N 2.88Å; R78-I80 PolarHBondContact O-N 3.19Å; I80-E82 VanDerWaalsContact C-N 3.32Å; I80-L83 HydrophobicContact CB-CD1 4.46Å; I80-L83 HydrophobicContact CG2-CD1 4.32Å; I80-L83 WeakPolarHBondContact O-CG 3.43Å; I80-R92 HydrophobicContact CG2-CB 3.82Å; I80-R92 HydrophobicContact CG2-CG 3.86Å; I80-W96 HydrophobicContact CD1-CB 3.78Å; I80-W96 HydrophobicContact CD1-CG 4.33Å; I80-L99 HydrophobicContact CD1-CD2 3.9Å; I80-L99 HydrophobicContact CG1-CD2 4.29Å
81	D	86.4	Confident	85.7	Confident	95 Å²	95	69.8 Å²	69.8	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-74.1	-20.3	173.6	-74.4	-23.6	0	0	0	113.1	V77 R78	V77-D81 WeakPolarHBondContact O-CB 3.45Å; V77-D81 PolarHBondContact O-N 3Å; R78-D81 PolarHBondContact O-N 3.49Å
82	E	88	Confident	85.9	Confident	143 Å²	143	70.6 Å²	70.6	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	0.7	178.8	-71.4	174.4	-158.9	0	0	113.8	R78 I80	R78-E82 VanDerWaalsContact O-CB 3.29Å; R78-E82 WeakPolarHBondContact O-CB 3.45Å; R78-E82 VanDerWaalsContact O-CG 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.45Å; R78-E82 PolarHBondContact O-N 3.07Å; I80-E82 VanDerWaalsContact C-N 3.32Å
83	L	87.3	Confident	86.1	Confident	30 Å²	30	70 Å²	70	16%	0.157	33%	0.332	C	S	.	.			trans	-65.3	136.7	175	-60.4	178.2	0	0	0	111.3	Q79 I80 I86 A95 L155 D156	Q79-L83 WeakPolarHBondContact O-CD2 3.45Å; Q79-L83 WeakPolarHBondContact O-CG 3.34Å; I80-L83 HydrophobicContact CB-CD1 4.46Å; I80-L83 HydrophobicContact CG2-CD1 4.32Å; I80-L83 WeakPolarHBondContact O-CG 3.43Å; L83-I86 HydrophobicContact CB-CB 4.38Å; L83-I86 HydrophobicContact CD1-CD1 3.88Å; L83-I86 HydrophobicContact CD1-CG1 4.47Å; L83-A95 HydrophobicContact CD1-CB 3.77Å; L83-L155 HydrophobicContact CD2-CB 4.39Å; L83-D156 WeakPolarHBondContact CB-OD1 3.47Å; L83-D156 HydrophobicContact CD2-CB 3.84Å
84	Q	79.2	Confident	86.4	Confident	167 Å²	167	64 Å²	64	78%	0.78	31%	0.31	S	S	*	.	S	Bend	trans	-94.4	-25.1	-171.3	-60.1	-177.5	32.8	0	0	113.2	D156	Q84-D156 PolarHBondContact N-OD1 2.74Å; Q84-D156 PolarHBondContact N-OD2 3.47Å
85	H	79.9	Confident	86.7	Confident	101 Å²	101	55.7 Å²	55.7	47%	0.468	28%	0.278	S	S	.	.	S	Bend	trans	-105	-0.6	-172.5	-59.1	90.6	0	0	0	113.5	D156 P158	H85-D156 WeakPolarHBondContact CB-O 3.21Å; H85-D156 WeakPolarHBondContact CB-OD1 3.43Å; H85-D156 IonicContact CE1-OD2 2.73Å; H85-D156 IonicContact CG-OD1 3.63Å; H85-D156 IonicContact CG-OD2 2.95Å; H85-D156 PolarHBondContact N-OD1 3.22Å; H85-D156 VanDerWaalsContact ND1-CG 3.27Å; H85-D156 PolarHBondContact ND1-O 3.47Å; H85-D156 IonicContact ND1-OD1 3.16Å; H85-D156 PolarHBondContact ND1-OD1 3.03Å; H85-D156 IonicContact ND1-OD2 3.83Å; H85-D156 PolarHBondContact ND1-OD2 2.8Å; H85-P158 HydrophobicContact CB-CB 4.16Å; H85-P158 HydrophobicContact CB-CG 4.46Å
86	I	85.7	Confident	87.1	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.036	25%	0.254	C	S	.	.			trans	-111.7	111.2	-179.3	-62.3	-167.5	0	0	0	111.1	L83 R92 A95 L155 L160	L83-I86 HydrophobicContact CB-CB 4.38Å; L83-I86 HydrophobicContact CD1-CD1 3.88Å; L83-I86 HydrophobicContact CD1-CG1 4.47Å; I86-R92 HydrophobicContact CG2-CG 4Å; I86-R92 PolarHBondContact O-NH2 3.31Å; I86-A95 HydrophobicContact CD1-CB 3.65Å; I86-L155 WeakPolarHBondContact CD1-O 3.46Å; I86-L160 HydrophobicContact CD1-CB 4.08Å; I86-L160 HydrophobicContact CD1-CD1 3.91Å
87	A	82.2	Confident	87.4	Confident	75 Å²	75	50.4 Å²	50.4	62%	0.62	25%	0.253	S	S	*	.			trans	-92.9	-40	179.4	0	0	0	0	0	112.8	R92 D161	A87-R92 PolarHBondContact O-NH1 3.05Å; A87-R92 PolarHBondContact O-NH2 3.42Å; A87-R92 VanDerWaalsContact O-NH2 3.11Å; A87-D161 WeakPolarHBondContact CB-OD2 3.38Å; A87-D161 PolarHBondContact N-OD2 2.87Å
88	T	86.9	Confident	87.6	Confident	57 Å²	57	49.5 Å²	49.5	35%	0.35	25%	0.247	S	C	.	.	S	Bend	trans	-91.2	159	-168.6	80.1	0	0	0	0	113.5	L90 G91 R92 D161	T88-L90 VanDerWaalsContact C-N 3.28Å; T88-L90 PolarHBondContact OG1-N 2.93Å; T88-G91 PolarHBondContact O-N 3.21Å; T88-G91 PolarHBondContact OG1-N 3.28Å; T88-R92 WeakPolarHBondContact O-CG 3.29Å; T88-R92 PolarHBondContact O-N 3.28Å; T88-R92 PolarHBondContact O-NH1 3.42Å; T88-D161 WeakPolarHBondContact CA-OD1 3.37Å; T88-D161 VanDerWaalsContact CB-OD1 3.22Å; T88-D161 WeakPolarHBondContact CB-OD1 3.34Å; T88-D161 HydrophobicContact CG2-CB 4.25Å; T88-D161 WeakPolarHBondContact CG2-OD1 3.35Å; T88-D161 PolarHBondContact N-OD1 3.48Å; T88-D161 PolarHBondContact N-OD2 3.04Å; T88-D161 PolarHBondContact OG1-OD1 2.85Å
89	N	86.2	Confident	87.8	Confident	58 Å²	58	44.6 Å²	44.6	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-73.6	-21.4	173.7	-64.2	-20	0	0	0	112.6	S62 R92 S93	S62-N89 WeakPolarHBondContact O-CB 3.49Å; N89-R92 PolarHBondContact OD1-NH1 3.03Å; N89-S93 WeakPolarHBondContact O-CB 3.27Å; N89-S93 PolarHBondContact O-N 3.16Å; N89-S93 PolarHBondContact O-OG 2.85Å
90	L	85.8	Confident	88	Confident	35 Å²	35	40.3 Å²	40.3	18%	0.183	21%	0.209	C	C	.	.	H	α-helix	trans	-70.6	-42.8	171.1	-172.5	64.4	0	0	0	111	L54 T88 S93 R94	L54-L90 HydrophobicContact CD1-CD1 4.31Å; L54-L90 HydrophobicContact CD2-CD1 4.11Å; T88-L90 VanDerWaalsContact C-N 3.28Å; T88-L90 PolarHBondContact OG1-N 2.93Å; L90-S93 WeakPolarHBondContact O-CA 3.5Å; L90-S93 VanDerWaalsContact O-CB 3.24Å; L90-S93 WeakPolarHBondContact O-CB 3.25Å; L90-S93 PolarHBondContact O-N 2.94Å; L90-S93 VanDerWaalsContact O-N 3.12Å; L90-R94 PolarHBondContact O-N 3.42Å
91	G	87.9	Confident	88.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-43.1	170.3	0	0	0	0	0	112.4	T88 S93 R94 A95 D161	T88-G91 PolarHBondContact O-N 3.21Å; T88-G91 PolarHBondContact OG1-N 3.28Å; G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.31Å; G91-R94 PolarHBondContact O-N 2.93Å; G91-A95 WeakPolarHBondContact O-CB 3.4Å; G91-A95 PolarHBondContact O-N 3.07Å; G91-D161 WeakPolarHBondContact CA-OD1 3.32Å
92	R	89.4	Confident	88.2	Confident	46 Å²	46	38.2 Å²	38.2	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-35.7	171.7	-68.3	-179.5	-172.6	82.1	27.1	112.8	W65 I80 I86 A87 T88 N89 W96	W65-R92 HydrophobicContact CB-CB 4.37Å; W65-R92 HydrophobicContact CD2-CB 3.89Å; W65-R92 HydrophobicContact CE3-CB 4.49Å; W65-R92 HydrophobicContact CG-CB 3.81Å; I80-R92 HydrophobicContact CG2-CB 3.82Å; I80-R92 HydrophobicContact CG2-CG 3.86Å; I86-R92 HydrophobicContact CG2-CG 4Å; I86-R92 PolarHBondContact O-NH2 3.31Å; A87-R92 PolarHBondContact O-NH1 3.05Å; A87-R92 PolarHBondContact O-NH2 3.42Å; A87-R92 VanDerWaalsContact O-NH2 3.11Å; T88-R92 WeakPolarHBondContact O-CG 3.29Å; T88-R92 PolarHBondContact O-N 3.28Å; T88-R92 PolarHBondContact O-NH1 3.42Å; N89-R92 PolarHBondContact OD1-NH1 3.03Å; R92-W96 WeakPolarHBondContact O-CB 3.43Å; R92-W96 PolarHBondContact O-N 3.44Å
93	S	92.1	Very high	88.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-42.6	175	-56.2	0	0	0	0	111.4	Y64 W65 N89 L90 G91 L97	Y64-S93 WeakPolarHBondContact CE2-O 3.47Å; Y64-S93 PolarHBondContact N-OG 2.94Å; Y64-S93 VanDerWaalsContact N-OG 3.16Å; Y64-S93 PolarHBondContact OH-O 3.26Å; W65-S93 WeakPolarHBondContact CB-OG 3.24Å; W65-S93 PolarHBondContact N-OG 3.1Å; N89-S93 WeakPolarHBondContact O-CB 3.27Å; N89-S93 PolarHBondContact O-N 3.16Å; N89-S93 PolarHBondContact O-OG 2.85Å; L90-S93 WeakPolarHBondContact O-CA 3.5Å; L90-S93 VanDerWaalsContact O-CB 3.24Å; L90-S93 WeakPolarHBondContact O-CB 3.25Å; L90-S93 PolarHBondContact O-N 2.94Å; L90-S93 VanDerWaalsContact O-N 3.12Å; G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.31Å; S93-L97 PolarHBondContact O-N 3.47Å; S93-L97 VanDerWaalsContact O-N 3.08Å
94	R	92.1	Very high	88.3	Confident	16 Å²	16	36.2 Å²	36.2	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-76.4	-38.9	179.4	-70.2	161.8	176.5	169.7	-2.7	113.2	D50 L90 G91 W96 L97 Y98 L160 V162	D50-R94 WeakPolarHBondContact OD1-CG 3.37Å; D50-R94 IonicContact OD1-NE 3.08Å; D50-R94 PolarHBondContact OD1-NE 3.3Å; D50-R94 IonicContact OD2-CZ 2.8Å; D50-R94 VanDerWaalsContact OD2-CZ 3.28Å; D50-R94 IonicContact OD2-NE 2.8Å; D50-R94 PolarHBondContact OD2-NE 2.96Å; D50-R94 IonicContact OD2-NH2 3.32Å; D50-R94 PolarHBondContact OD2-NH2 3.2Å; L90-R94 PolarHBondContact O-N 3.42Å; G91-R94 PolarHBondContact O-N 2.93Å; R94-W96 VanDerWaalsContact C-N 3.29Å; R94-W96 PolarHBondContact O-N 3.02Å; R94-L97 WeakPolarHBondContact O-CB 3.29Å; R94-L97 PolarHBondContact O-N 3.44Å; R94-Y98 WeakPolarHBondContact O-CD1 3.41Å; R94-Y98 PolarHBondContact O-N 3.19Å; R94-L160 HydrophobicContact CB-CB 4.39Å; R94-L160 HydrophobicContact CB-CD2 4.11Å; R94-L160 WeakPolarHBondContact CD-O 3.5Å; R94-L160 PolarHBondContact NH1-O 3.17Å; R94-V162 VanDerWaalsContact NH1-C 3.26Å; R94-V162 PolarHBondContact NH1-O 3.45Å
95	A	90.7	Very high	88.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-37	171.5	0	0	0	0	0	111.9	L83 I86 G91 L99 L160	L83-A95 HydrophobicContact CD1-CB 3.77Å; I86-A95 HydrophobicContact CD1-CB 3.65Å; G91-A95 WeakPolarHBondContact O-CB 3.4Å; G91-A95 PolarHBondContact O-N 3.07Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3.4Å; A95-L160 HydrophobicContact CB-CD1 4.42Å
96	W	93.7	Very high	89.4	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-42.7	168.6	176	84.1	0	0	0	112.6	L53 Y64 W65 V68 T72 I80 R92 R94 Y98 L99 A100 L106 Y109	L53-W96 HydrophobicContact CD1-CZ3 4.22Å; Y64-W96 HydrophobicContact CD2-CE3 4.35Å; Y64-W96 HydrophobicContact CD2-CZ3 4.45Å; Y64-W96 AromaticContact CE2-CE3 3.88Å; Y64-W96 HydrophobicContact CE2-CE3 3.88Å; Y64-W96 HydrophobicContact CE2-CZ3 4.13Å; W65-W96 HydrophobicContact CE3-CB 4.14Å; W65-W96 HydrophobicContact CZ3-CB 3.95Å; W65-W96 HydrophobicContact CZ3-CG 4.21Å; V68-W96 HydrophobicContact CB-CD2 4.47Å; V68-W96 HydrophobicContact CG1-CB 4.32Å; V68-W96 VanDerWaalsContact CG1-CD1 3.48Å; V68-W96 HydrophobicContact CG1-CD2 3.4Å; V68-W96 HydrophobicContact CG1-CE3 4.09Å; V68-W96 HydrophobicContact CG1-CG 3.48Å; V68-W96 VanDerWaalsContact CG1-CG 3.48Å; V68-W96 HydrophobicContact CG1-CH2 4.47Å; V68-W96 HydrophobicContact CG1-CZ2 3.85Å; V68-W96 HydrophobicContact CG2-CD2 4.28Å; V68-W96 HydrophobicContact CG2-CE3 4.18Å; V68-W96 HydrophobicContact CG2-CH2 3.88Å; V68-W96 HydrophobicContact CG2-CZ2 3.98Å; V68-W96 HydrophobicContact CG2-CZ3 4Å; T72-W96 PolarHBondContact OG1-NE1 2.9Å; I80-W96 HydrophobicContact CD1-CB 3.78Å; I80-W96 HydrophobicContact CD1-CG 4.33Å; R92-W96 WeakPolarHBondContact O-CB 3.43Å; R92-W96 PolarHBondContact O-N 3.44Å; R94-W96 VanDerWaalsContact C-N 3.29Å; R94-W96 PolarHBondContact O-N 3.02Å; W96-Y98 VanDerWaalsContact C-N 3.34Å; W96-Y98 PolarHBondContact O-N 3.14Å; W96-L99 PolarHBondContact O-N 3.06Å; W96-A100 HydrophobicContact CD2-CB 4.4Å; W96-A100 HydrophobicContact CZ2-CB 4.32Å; W96-A100 VanDerWaalsContact O-CB 3.29Å; W96-A100 WeakPolarHBondContact O-CB 3.5Å; W96-A100 PolarHBondContact O-N 2.92Å; W96-L106 HydrophobicContact CH2-CD1 3.75Å; W96-L106 HydrophobicContact CZ3-CD1 3.88Å; W96-Y109 HydrophobicContact CH2-CD2 4.25Å; W96-Y109 HydrophobicContact CH2-CG 4.4Å; W96-Y109 HydrophobicContact CZ2-CD1 4.37Å; W96-Y109 AromaticContact CZ2-CD2 3.4Å; W96-Y109 HydrophobicContact CZ2-CD2 3.4Å; W96-Y109 VanDerWaalsContact CZ2-CD2 3.4Å; W96-Y109 HydrophobicContact CZ2-CE2 4.04Å; W96-Y109 AromaticContact CZ2-CG 3.6Å; W96-Y109 HydrophobicContact CZ2-CG 3.6Å; W96-Y109 AromaticContact NE1-CE2 3.96Å
97	L	92.3	Very high	89.6	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-43.2	179.1	178.8	62.5	0	0	0	111.1	L49 L53 S93 R94 A100 L101 L106	L49-L97 HydrophobicContact CB-CD1 4.22Å; L49-L97 HydrophobicContact CB-CD2 3.85Å; L49-L97 HydrophobicContact CD1-CD1 4.27Å; L53-L97 HydrophobicContact CD1-CD1 4.18Å; S93-L97 PolarHBondContact O-N 3.47Å; S93-L97 VanDerWaalsContact O-N 3.08Å; R94-L97 WeakPolarHBondContact O-CB 3.29Å; R94-L97 PolarHBondContact O-N 3.44Å; L97-A100 PolarHBondContact O-N 2.8Å; L97-L101 HydrophobicContact CG-CD1 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.48Å; L97-L106 HydrophobicContact CD1-CD1 3.97Å; L97-L106 HydrophobicContact CD1-CD2 3.86Å
98	Y	91.8	Very high	90	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-45.1	173.7	-79	31.3	0	0	0	111.1	C46 R94 W96 A100 L101 S102 L153 Y159 L160 P164	C46-Y98 HydrophobicContact CB-CE1 4.11Å; R94-Y98 WeakPolarHBondContact O-CD1 3.41Å; R94-Y98 PolarHBondContact O-N 3.19Å; W96-Y98 VanDerWaalsContact C-N 3.34Å; W96-Y98 PolarHBondContact O-N 3.14Å; Y98-A100 PolarHBondContact O-N 3.23Å; Y98-L101 PolarHBondContact O-N 3.38Å; Y98-S102 PolarHBondContact O-N 3.17Å; Y98-S102 PolarHBondContact O-OG 3.04Å; Y98-L153 HydrophobicContact CD2-CB 4.08Å; Y98-L153 HydrophobicContact CD2-CD1 4.13Å; Y98-L153 HydrophobicContact CG-CD1 3.95Å; Y98-Y159 WeakPolarHBondContact CE2-OH 3.37Å; Y98-Y159 PolarHBondContact OH-OH 2.94Å; Y98-L160 HydrophobicContact CD2-CD2 4.49Å; Y98-L160 HydrophobicContact CE1-CD2 4.04Å; Y98-L160 HydrophobicContact CE2-CD2 3.9Å; Y98-P164 PolarHBondContact OH-O 2.7Å
99	L	90.7	Very high	90.2	Very high	8 Å²	8	22 Å²	22	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-46.1	176.3	-179.7	62.2	0	0	0	111.5	A76 I80 A95 W96 L101 S102 E103 L155	A76-L99 HydrophobicContact CB-CD2 3.65Å; I80-L99 HydrophobicContact CD1-CD2 3.9Å; I80-L99 HydrophobicContact CG1-CD2 4.29Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3.4Å; W96-L99 PolarHBondContact O-N 3.06Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 2.82Å; L99-S102 WeakPolarHBondContact CA-OG 3.24Å; L99-S102 PolarHBondContact O-N 2.91Å; L99-S102 VanDerWaalsContact O-N 3.16Å; L99-S102 PolarHBondContact O-OG 3Å; L99-E103 HydrophobicContact CD1-CG 4.17Å; L99-E103 WeakPolarHBondContact O-CB 3.38Å; L99-E103 PolarHBondContact O-N 3.08Å; L99-L155 HydrophobicContact CB-CD1 4.16Å; L99-L155 HydrophobicContact CB-CD2 4.25Å; L99-L155 HydrophobicContact CD1-CD1 3.89Å
100	A	91.3	Very high	90.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-67.5	-25.4	-179.8	0	0	0	0	0	113.6	W96 L97 Y98 S104 S105 L106 Y109	W96-A100 HydrophobicContact CD2-CB 4.4Å; W96-A100 HydrophobicContact CZ2-CB 4.32Å; W96-A100 VanDerWaalsContact O-CB 3.29Å; W96-A100 WeakPolarHBondContact O-CB 3.5Å; W96-A100 PolarHBondContact O-N 2.92Å; L97-A100 PolarHBondContact O-N 2.8Å; Y98-A100 PolarHBondContact O-N 3.23Å; A100-S104 CarbonylContact O-C 3.39Å; A100-S105 PolarHBondContact O-N 3.5Å; A100-L106 HydrophobicContact CB-CB 3.99Å; A100-L106 HydrophobicContact CB-CD1 4.15Å; A100-L106 PolarHBondContact O-N 2.89Å; A100-Y109 HydrophobicContact CB-CD2 4.07Å; A100-Y109 HydrophobicContact CB-CE2 4.1Å
101	L	90.6	Very high	90.5	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-75.6	-45.9	167.8	-70.8	169	0	0	0	111.2	L49 L97 Y98 L99 E103 S104 L106 L146 F151 L153	L49-L101 HydrophobicContact CD1-CD1 4.21Å; L49-L101 HydrophobicContact CD1-CD2 4.27Å; L97-L101 HydrophobicContact CG-CD1 4.48Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.48Å; Y98-L101 PolarHBondContact O-N 3.38Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 2.82Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.38Å; L101-S104 PolarHBondContact O-N 2.9Å; L101-L106 HydrophobicContact CD2-CD2 3.88Å; L101-L106 HydrophobicContact CG-CD2 4.38Å; L101-L146 HydrophobicContact CD2-CD1 3.96Å; L101-F151 HydrophobicContact CB-CD2 4.25Å; L101-F151 HydrophobicContact CB-CG 4.46Å; L101-F151 HydrophobicContact CD2-CE2 4.5Å; L101-F151 WeakPolarHBondContact O-CD2 3.14Å; L101-L153 HydrophobicContact CB-CD1 4.33Å
102	S	89.4	Confident	90.5	Very high	48 Å²	48	24.8 Å²	24.8	34%	0.336	13%	0.131	S	C	.	.	H	α-helix	trans	-65.9	-30.6	179.5	70.9	0	0	0	0	114.3	Y98 L99 S104	Y98-S102 PolarHBondContact O-N 3.17Å; Y98-S102 PolarHBondContact O-OG 3.04Å; L99-S102 WeakPolarHBondContact CA-OG 3.24Å; L99-S102 PolarHBondContact O-N 2.91Å; L99-S102 VanDerWaalsContact O-N 3.16Å; L99-S102 PolarHBondContact O-OG 3Å; S102-S104 VanDerWaalsContact C-N 3.32Å
103	E	88.9	Confident	90.5	Very high	65 Å²	65	22.7 Å²	22.7	30%	0.304	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.8	171.9	-78.5	-160.7	141.8	0	0	113.8	R73 L99 L101 S105	R73-E103 IonicContact CZ-OE2 2.98Å; R73-E103 VanDerWaalsContact NH1-CD 3.3Å; R73-E103 IonicContact NH1-OE1 2.72Å; R73-E103 PolarHBondContact NH1-OE1 3.1Å; R73-E103 IonicContact NH1-OE2 3.74Å; R73-E103 PolarHBondContact NH1-OE2 3.25Å; L99-E103 HydrophobicContact CD1-CG 4.17Å; L99-E103 WeakPolarHBondContact O-CB 3.38Å; L99-E103 PolarHBondContact O-N 3.08Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-E103 PolarHBondContact O-N 3.38Å; E103-S105 VanDerWaalsContact CB-OG 3.26Å; E103-S105 WeakPolarHBondContact CB-OG 3.4Å; E103-S105 PolarHBondContact O-N 3.29Å; E103-S105 PolarHBondContact OE2-OG 2.99Å
104	S	88.3	Confident	90.2	Very high	65 Å²	65	24.8 Å²	24.8	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	26.2	-163.5	62.9	0	0	0	0	114.9	A100 L101 S102	A100-S104 CarbonylContact O-C 3.39Å; L101-S104 PolarHBondContact O-N 2.9Å; S102-S104 VanDerWaalsContact C-N 3.32Å
105	S	90.4	Very high	89.9	Confident	6 Å²	6	30.8 Å²	30.8	4%	0.042	16%	0.162	C	C	.	.			trans	-96.5	-7.7	-171	63.7	0	0	0	0	115	A100 E103 E107 S108 Y109	A100-S105 PolarHBondContact O-N 3.5Å; E103-S105 VanDerWaalsContact CB-OG 3.26Å; E103-S105 WeakPolarHBondContact CB-OG 3.4Å; E103-S105 PolarHBondContact O-N 3.29Å; E103-S105 PolarHBondContact OE2-OG 2.99Å; S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 3.18Å; S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.06Å; S105-Y109 VanDerWaalsContact O-CD2 3.28Å; S105-Y109 WeakPolarHBondContact O-CD2 3.46Å; S105-Y109 PolarHBondContact O-N 3.36Å; S105-Y109 VanDerWaalsContact O-N 3.17Å; S105-Y109 VanDerWaalsContact OG-CE2 3.24Å; S105-Y109 WeakPolarHBondContact OG-CE2 3.39Å
106	L	90.6	Very high	89.7	Confident	3 Å²	3	34 Å²	34	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-52.8	-43.2	-180	-176	61.4	0	0	0	113.2	L49 W96 L97 A100 L101 S108 Y109 L110 V143	L49-L106 HydrophobicContact CD1-CD2 4.19Å; W96-L106 HydrophobicContact CH2-CD1 3.75Å; W96-L106 HydrophobicContact CZ3-CD1 3.88Å; L97-L106 HydrophobicContact CD1-CD1 3.97Å; L97-L106 HydrophobicContact CD1-CD2 3.86Å; A100-L106 HydrophobicContact CB-CB 3.99Å; A100-L106 HydrophobicContact CB-CD1 4.15Å; A100-L106 PolarHBondContact O-N 2.89Å; L101-L106 HydrophobicContact CD2-CD2 3.88Å; L101-L106 HydrophobicContact CG-CD2 4.38Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 2.85Å; L106-Y109 PolarHBondContact O-N 2.89Å; L106-L110 PolarHBondContact O-N 3.11Å; L106-V143 HydrophobicContact CB-CG1 4.02Å; L106-V143 HydrophobicContact CD2-CG1 3.92Å; L106-V143 HydrophobicContact CD2-CG2 4.29Å; L106-V143 HydrophobicContact CG-CG1 3.9Å
107	E	90.6	Very high	89.2	Confident	27 Å²	27	36.8 Å²	36.8	13%	0.126	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-42.7	177.2	-164.7	-149	-155.7	0	0	111.8	S105 Y109 L110 R111 L140 V143 S144	S105-E107 VanDerWaalsContact C-N 3.3Å; S105-E107 PolarHBondContact O-N 3.18Å; E107-Y109 VanDerWaalsContact C-N 3.35Å; E107-Y109 PolarHBondContact O-N 3.33Å; E107-L110 PolarHBondContact O-N 3.34Å; E107-R111 VanDerWaalsContact CD-CZ 3.49Å; E107-R111 VanDerWaalsContact CD-NH1 3.32Å; E107-R111 PolarHBondContact O-N 3.34Å; E107-R111 IonicContact OE1-CZ 2.7Å; E107-R111 IonicContact OE1-NH1 3.7Å; E107-R111 IonicContact OE1-NH2 3.69Å; E107-R111 PolarHBondContact OE1-NH2 3.26Å; E107-R111 IonicContact OE2-CZ 3.98Å; E107-R111 IonicContact OE2-NH1 3.28Å; E107-R111 PolarHBondContact OE2-NH1 2.82Å; E107-R111 IonicContact OE2-NH2 2.9Å; E107-R111 PolarHBondContact OE2-NH2 3.09Å; E107-L140 HydrophobicContact CG-CD1 3.7Å; E107-L140 HydrophobicContact CG-CG 4.16Å; E107-L140 VanDerWaalsContact O-CD1 3.25Å; E107-L140 WeakPolarHBondContact O-CD1 3.49Å; E107-V143 HydrophobicContact CB-CG1 3.98Å; E107-S144 WeakPolarHBondContact OE1-CB 3.37Å; E107-S144 PolarHBondContact OE1-OG 3.23Å
108	S	90.4	Very high	88.6	Confident	62 Å²	62	40 Å²	40	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-36	177.8	-69.1	0	0	0	0	112.3	S105 L106 R111 L112	S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.06Å; L106-S108 VanDerWaalsContact C-N 3.32Å; L106-S108 PolarHBondContact O-N 2.85Å; S108-R111 PolarHBondContact O-N 3.03Å; S108-L112 WeakPolarHBondContact O-CG 3.34Å; S108-L112 PolarHBondContact O-N 3.42Å
109	Y	90.3	Very high	88.3	Confident	11 Å²	11	42.4 Å²	42.4	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-35.1	174.2	-63.6	-57.5	0	0	0	112.5	F71 W96 A100 S105 L106 E107 L112 F113	F71-Y109 HydrophobicContact CB-CD1 4.39Å; F71-Y109 WeakPolarHBondContact O-CE1 3.44Å; W96-Y109 HydrophobicContact CH2-CD2 4.25Å; W96-Y109 HydrophobicContact CH2-CG 4.4Å; W96-Y109 HydrophobicContact CZ2-CD1 4.37Å; W96-Y109 AromaticContact CZ2-CD2 3.4Å; W96-Y109 HydrophobicContact CZ2-CD2 3.4Å; W96-Y109 VanDerWaalsContact CZ2-CD2 3.4Å; W96-Y109 HydrophobicContact CZ2-CE2 4.04Å; W96-Y109 AromaticContact CZ2-CG 3.6Å; W96-Y109 HydrophobicContact CZ2-CG 3.6Å; W96-Y109 AromaticContact NE1-CE2 3.96Å; A100-Y109 HydrophobicContact CB-CD2 4.07Å; A100-Y109 HydrophobicContact CB-CE2 4.1Å; S105-Y109 VanDerWaalsContact O-CD2 3.28Å; S105-Y109 WeakPolarHBondContact O-CD2 3.46Å; S105-Y109 PolarHBondContact O-N 3.36Å; S105-Y109 VanDerWaalsContact O-N 3.17Å; S105-Y109 VanDerWaalsContact OG-CE2 3.24Å; S105-Y109 WeakPolarHBondContact OG-CE2 3.39Å; L106-Y109 PolarHBondContact O-N 2.89Å; E107-Y109 VanDerWaalsContact C-N 3.35Å; E107-Y109 PolarHBondContact O-N 3.33Å; Y109-L112 HydrophobicContact CD1-CD1 4.27Å; Y109-L112 WeakPolarHBondContact O-CB 3.42Å; Y109-L112 PolarHBondContact O-N 3.4Å; Y109-F113 VanDerWaalsContact O-CD1 3.24Å; Y109-F113 WeakPolarHBondContact O-CD1 3.42Å; Y109-F113 PolarHBondContact O-N 3.33Å; Y109-F113 VanDerWaalsContact O-N 3.14Å
110	L	90.2	Very high	87.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-35.9	173.8	-68.9	177.4	0	0	0	112.6	L53 L106 E107 L112 F113 Q114 L136 F139 L140 V143	L53-L110 HydrophobicContact CD2-CD2 4.43Å; L106-L110 PolarHBondContact O-N 3.11Å; E107-L110 PolarHBondContact O-N 3.34Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 2.8Å; L110-F113 HydrophobicContact CD2-CD2 3.87Å; L110-F113 HydrophobicContact CD2-CE2 3.97Å; L110-F113 WeakPolarHBondContact O-CB 3.48Å; L110-F113 PolarHBondContact O-N 3.3Å; L110-Q114 PolarHBondContact O-N 3.38Å; L110-Q114 VanDerWaalsContact O-N 3.11Å; L110-L136 HydrophobicContact CB-CD1 4.44Å; L110-L136 HydrophobicContact CD2-CD1 4.17Å; L110-F139 HydrophobicContact CD1-CD1 3.98Å; L110-F139 HydrophobicContact CD1-CD2 4.35Å; L110-F139 HydrophobicContact CD1-CE1 3.9Å; L110-F139 HydrophobicContact CD1-CE2 4.25Å; L110-F139 HydrophobicContact CD1-CG 4.21Å; L110-F139 HydrophobicContact CD1-CZ 4.04Å; L110-F139 HydrophobicContact CD2-CD1 4.1Å; L110-F139 HydrophobicContact CD2-CE1 3.77Å; L110-F139 HydrophobicContact CD2-CZ 4.46Å; L110-L140 HydrophobicContact CB-CD1 3.66Å; L110-V143 HydrophobicContact CD1-CB 4.23Å; L110-V143 HydrophobicContact CD1-CG1 4.46Å; L110-V143 HydrophobicContact CD1-CG2 3.87Å
111	R	89.1	Confident	87.5	Confident	95 Å²	95	46.4 Å²	46.4	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-59	-43.9	169.3	-66.2	-166.1	-175.8	87.4	2.9	111.8	E107 S108 F113 Q114 E115 L140	E107-R111 VanDerWaalsContact CD-CZ 3.49Å; E107-R111 VanDerWaalsContact CD-NH1 3.32Å; E107-R111 PolarHBondContact O-N 3.34Å; E107-R111 IonicContact OE1-CZ 2.7Å; E107-R111 IonicContact OE1-NH1 3.7Å; E107-R111 IonicContact OE1-NH2 3.69Å; E107-R111 PolarHBondContact OE1-NH2 3.26Å; E107-R111 IonicContact OE2-CZ 3.98Å; E107-R111 IonicContact OE2-NH1 3.28Å; E107-R111 PolarHBondContact OE2-NH1 2.82Å; E107-R111 IonicContact OE2-NH2 2.9Å; E107-R111 PolarHBondContact OE2-NH2 3.09Å; S108-R111 PolarHBondContact O-N 3.03Å; R111-F113 VanDerWaalsContact C-N 3.26Å; R111-F113 PolarHBondContact O-N 2.82Å; R111-Q114 WeakPolarHBondContact O-CA 3.28Å; R111-Q114 WeakPolarHBondContact O-CB 3.29Å; R111-Q114 PolarHBondContact O-N 2.99Å; R111-E115 PolarHBondContact O-N 2.85Å; R111-L140 HydrophobicContact CG-CD1 3.8Å; R111-L140 HydrophobicContact CG-CD2 3.94Å
112	L	88.6	Confident	87.2	Confident	56 Å²	56	52.1 Å²	52.1	29%	0.293	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-32.1	177.4	-68.3	171.4	0	0	0	112.4	F71 S108 Y109 L110 N116	F71-L112 HydrophobicContact CB-CD1 4.22Å; F71-L112 HydrophobicContact CD1-CB 3.74Å; F71-L112 HydrophobicContact CD1-CD1 4.32Å; F71-L112 HydrophobicContact CE1-CB 4.16Å; F71-L112 HydrophobicContact CG-CB 4.31Å; S108-L112 WeakPolarHBondContact O-CG 3.34Å; S108-L112 PolarHBondContact O-N 3.42Å; Y109-L112 HydrophobicContact CD1-CD1 4.27Å; Y109-L112 WeakPolarHBondContact O-CB 3.42Å; Y109-L112 PolarHBondContact O-N 3.4Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 2.8Å; L112-N116 VanDerWaalsContact O-CB 3.28Å; L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 3.03Å; L112-N116 PolarHBondContact O-ND2 2.76Å
113	F	88.2	Confident	87	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-40.2	171.4	-63.4	1.6	0	0	0	111.7	L53 L67 V68 F71 Y109 L110 R111 N116 Q117 L120 V130 L136	L53-F113 HydrophobicContact CD2-CE2 4.12Å; L67-F113 HydrophobicContact CD2-CE1 4.41Å; L67-F113 HydrophobicContact CD2-CZ 4.47Å; V68-F113 HydrophobicContact CG2-CE1 4.42Å; V68-F113 HydrophobicContact CG2-CZ 3.88Å; F71-F113 AromaticContact CD2-CD1 3.78Å; F71-F113 HydrophobicContact CD2-CD1 3.78Å; F71-F113 AromaticContact CD2-CE1 3.57Å; F71-F113 HydrophobicContact CD2-CE1 3.57Å; F71-F113 AromaticContact CE2-CD1 3.7Å; F71-F113 HydrophobicContact CE2-CD1 3.7Å; F71-F113 AromaticContact CE2-CE1 3.89Å; F71-F113 HydrophobicContact CE2-CE1 3.89Å; F71-F113 HydrophobicContact CG-CD1 4.43Å; F71-F113 HydrophobicContact CG-CE1 4.33Å; F71-F113 HydrophobicContact CZ-CD1 4.33Å; Y109-F113 VanDerWaalsContact O-CD1 3.24Å; Y109-F113 WeakPolarHBondContact O-CD1 3.42Å; Y109-F113 PolarHBondContact O-N 3.33Å; Y109-F113 VanDerWaalsContact O-N 3.14Å; L110-F113 HydrophobicContact CD2-CD2 3.87Å; L110-F113 HydrophobicContact CD2-CE2 3.97Å; L110-F113 WeakPolarHBondContact O-CB 3.48Å; L110-F113 PolarHBondContact O-N 3.3Å; R111-F113 VanDerWaalsContact C-N 3.26Å; R111-F113 PolarHBondContact O-N 2.82Å; F113-N116 PolarHBondContact O-N 3.48Å; F113-Q117 PolarHBondContact O-N 3.49Å; F113-L120 HydrophobicContact CB-CD1 4.46Å; F113-L120 HydrophobicContact CB-CD2 4.42Å; F113-L120 HydrophobicContact CD2-CD1 4.43Å; F113-L120 HydrophobicContact CG-CD1 4.41Å; F113-V130 HydrophobicContact CD2-CG1 4.45Å; F113-L136 HydrophobicContact CB-CD2 4.38Å
114	Q	86.2	Confident	86.9	Confident	45 Å²	45	48.8 Å²	48.8	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-40.1	178.6	-163.8	177.5	22.4	0	0	111.9	L110 R111 Q117 H133 L136 T137	L110-Q114 PolarHBondContact O-N 3.38Å; L110-Q114 VanDerWaalsContact O-N 3.11Å; R111-Q114 WeakPolarHBondContact O-CA 3.28Å; R111-Q114 WeakPolarHBondContact O-CB 3.29Å; R111-Q114 PolarHBondContact O-N 2.99Å; Q114-Q117 WeakPolarHBondContact O-CG 3.41Å; Q114-H133 PolarHBondContact NE2-CE1 3.28Å; Q114-H133 VanDerWaalsContact NE2-CE1 3.29Å; Q114-L136 HydrophobicContact CB-CD2 3.62Å; Q114-L136 HydrophobicContact CB-CG 4.48Å; Q114-L136 HydrophobicContact CG-CD2 4.03Å; Q114-T137 PolarHBondContact NE2-OG1 2.58Å
115	E	86.3	Confident	86.7	Confident	142 Å²	142	50.9 Å²	50.9	66%	0.664	26%	0.259	S	S	*	.	H	α-helix	trans	-69.9	-39.6	174.9	-69.5	176.5	-179.9	0	0	112.7	R111	R111-E115 PolarHBondContact O-N 2.85Å
116	N	86.4	Confident	86.1	Confident	68 Å²	68	58.2 Å²	58.2	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	41.5	-168.1	-65	-88.4	0	0	0	113.5	F71 L112 F113 G118 L119 L120	F71-N116 HydrophobicContact CE1-CB 3.71Å; F71-N116 HydrophobicContact CZ-CB 3.74Å; L112-N116 VanDerWaalsContact O-CB 3.28Å; L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 3.03Å; L112-N116 PolarHBondContact O-ND2 2.76Å; F113-N116 PolarHBondContact O-N 3.48Å; N116-G118 PolarHBondContact O-N 3.02Å; N116-L119 PolarHBondContact O-N 3.44Å; N116-L120 PolarHBondContact O-N 2.99Å
117	Q	82.4	Confident	85.5	Confident	60 Å²	60	62.4 Å²	62.4	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-53.1	-30.5	-178.9	-62.5	-166.5	5.6	0	0	114.3	F113 Q114 L119 L120 Q121	F113-Q117 PolarHBondContact O-N 3.49Å; Q114-Q117 WeakPolarHBondContact O-CG 3.41Å; Q117-L119 VanDerWaalsContact C-N 3.27Å; Q117-L119 PolarHBondContact O-N 3.39Å; Q117-L120 WeakPolarHBondContact O-CB 3.46Å; Q117-L120 PolarHBondContact O-N 3.12Å; Q117-Q121 WeakPolarHBondContact O-CG 3.43Å; Q117-Q121 PolarHBondContact O-N 2.65Å
118	G	80.6	Confident	85.1	Confident	69 Å²	69	61.1 Å²	61.1	71%	0.711	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-28.2	176.6	0	0	0	0	0	114.2	N116	N116-G118 PolarHBondContact O-N 3.02Å
119	L	84.3	Confident	84.8	Confident	51 Å²	51	58.2 Å²	58.2	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-82.3	-39.8	169.7	-170.8	65.5	0	0	0	110.6	L67 H70 F71 N116 Q117 Q121 K122 Y123	L67-L119 HydrophobicContact CD1-CD2 3.9Å; L67-L119 HydrophobicContact CD1-CG 3.77Å; H70-L119 HydrophobicContact CB-CD2 3.95Å; F71-L119 HydrophobicContact CE2-CD2 4.09Å; F71-L119 HydrophobicContact CZ-CD2 3.82Å; N116-L119 PolarHBondContact O-N 3.44Å; Q117-L119 VanDerWaalsContact C-N 3.27Å; Q117-L119 PolarHBondContact O-N 3.39Å; L119-Q121 PolarHBondContact O-N 3.17Å; L119-K122 HydrophobicContact CD1-CD 4.46Å; L119-K122 VanDerWaalsContact O-CB 3.25Å; L119-K122 WeakPolarHBondContact O-CB 3.43Å; L119-K122 PolarHBondContact O-N 3.42Å; L119-Y123 HydrophobicContact CD1-CE2 3.94Å; L119-Y123 HydrophobicContact CG-CE2 4.31Å; L119-Y123 WeakPolarHBondContact O-CD2 3.27Å
120	L	83.3	Confident	84.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-46.6	179.8	-164.6	64.3	0	0	0	112.3	L67 F113 N116 Q117 K122 Y123 Y124 V130	L67-L120 HydrophobicContact CD2-CD1 3.44Å; L67-L120 VanDerWaalsContact CD2-CD1 3.44Å; F113-L120 HydrophobicContact CB-CD1 4.46Å; F113-L120 HydrophobicContact CB-CD2 4.42Å; F113-L120 HydrophobicContact CD2-CD1 4.43Å; F113-L120 HydrophobicContact CG-CD1 4.41Å; N116-L120 PolarHBondContact O-N 2.99Å; Q117-L120 WeakPolarHBondContact O-CB 3.46Å; Q117-L120 PolarHBondContact O-N 3.12Å; L120-K122 PolarHBondContact O-N 3.19Å; L120-K122 VanDerWaalsContact O-N 3.08Å; L120-Y123 PolarHBondContact O-N 2.8Å; L120-Y124 HydrophobicContact CD1-CD2 3.7Å; L120-Y124 HydrophobicContact CD1-CE2 3.88Å; L120-Y124 HydrophobicContact CD1-CG 4.4Å; L120-Y124 HydrophobicContact CG-CD2 4.29Å; L120-Y124 PolarHBondContact O-N 2.86Å; L120-V130 HydrophobicContact CD1-CB 4.44Å; L120-V130 HydrophobicContact CD1-CG2 3.88Å; L120-V130 HydrophobicContact CD2-CB 4.15Å; L120-V130 HydrophobicContact CD2-CG2 4.07Å; L120-V130 VanDerWaalsContact CD2-O 3.22Å; L120-V130 WeakPolarHBondContact CD2-O 3.47Å; L120-V130 HydrophobicContact CG-CG2 4.2Å
121	Q	82.4	Confident	84.3	Confident	92 Å²	92	58.4 Å²	58.4	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-10	177.8	-69.2	178.2	30.1	0	0	114.5	Q117 L119	Q117-Q121 WeakPolarHBondContact O-CG 3.43Å; Q117-Q121 PolarHBondContact O-N 2.65Å; L119-Q121 PolarHBondContact O-N 3.17Å
122	K	84.3	Confident	84.1	Confident	126 Å²	126	55 Å²	55	55%	0.548	28%	0.28	S	S	.	.	H	α-helix	trans	-82.1	-26.4	172.8	-175.1	-170.5	163.1	-145.3	0	112.3	Q58 L119 L120	Q58-K122 PolarHBondContact NE2-O 3.05Å; L119-K122 HydrophobicContact CD1-CD 4.46Å; L119-K122 VanDerWaalsContact O-CB 3.25Å; L119-K122 WeakPolarHBondContact O-CB 3.43Å; L119-K122 PolarHBondContact O-N 3.42Å; L120-K122 PolarHBondContact O-N 3.19Å; L120-K122 VanDerWaalsContact O-N 3.08Å
123	Y	84.4	Confident	84	Confident	41 Å²	41	57.2 Å²	57.2	16%	0.161	29%	0.289	C	S	.	.	H	α-helix	trans	-113.9	-19.7	-175.8	-63.6	-95.5	0	0	0	113.2	Q58 V66 L67 L119 L120	Q58-Y123 VanDerWaalsContact CB-O 3.29Å; Q58-Y123 WeakPolarHBondContact CB-O 3.24Å; Q58-Y123 VanDerWaalsContact CG-O 3.3Å; Q58-Y123 WeakPolarHBondContact CG-O 3.48Å; Q58-Y123 PolarHBondContact N-O 2.86Å; V66-Y123 HydrophobicContact CB-CE1 4.19Å; V66-Y123 HydrophobicContact CG2-CD1 3.82Å; V66-Y123 HydrophobicContact CG2-CE1 3.97Å; V66-Y123 WeakPolarHBondContact O-CE1 3.31Å; L67-Y123 HydrophobicContact CB-CD2 4.45Å; L67-Y123 HydrophobicContact CB-CG 4.3Å; L67-Y123 HydrophobicContact CD1-CD2 3.73Å; L67-Y123 HydrophobicContact CD1-CE2 4.13Å; L67-Y123 HydrophobicContact CD1-CG 4.35Å; L119-Y123 HydrophobicContact CD1-CE2 3.94Å; L119-Y123 HydrophobicContact CG-CE2 4.31Å; L119-Y123 WeakPolarHBondContact O-CD2 3.27Å; L120-Y123 PolarHBondContact O-N 2.8Å
124	Y	87.5	Confident	83.9	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.008	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-116	153.3	178	-72.3	-103	0	0	0	111.2	L53 G56 L57 Q58 L67 L120 A128 V130	L53-Y124 VanDerWaalsContact O-CE1 3.24Å; L53-Y124 WeakPolarHBondContact O-CE1 3.49Å; L53-Y124 PolarHBondContact O-OH 3.12Å; G56-Y124 CarbonylContact O-C 3.53Å; G56-Y124 VanDerWaalsContact O-CA 3.32Å; G56-Y124 WeakPolarHBondContact O-CA 3.41Å; L57-Y124 HydrophobicContact CB-CD1 4.24Å; L57-Y124 HydrophobicContact CB-CE1 4.01Å; L57-Y124 HydrophobicContact CD1-CD1 4.45Å; L57-Y124 HydrophobicContact CD1-CD2 4.11Å; L57-Y124 HydrophobicContact CD1-CE1 4.11Å; L57-Y124 HydrophobicContact CD1-CE2 3.69Å; L57-Y124 HydrophobicContact CD1-CG 4.47Å; Q58-Y124 PolarHBondContact NE2-O 3.05Å; L67-Y124 HydrophobicContact CD2-CD2 4.2Å; L67-Y124 HydrophobicContact CD2-CE2 3.6Å; L120-Y124 HydrophobicContact CD1-CD2 3.7Å; L120-Y124 HydrophobicContact CD1-CE2 3.88Å; L120-Y124 HydrophobicContact CD1-CG 4.4Å; L120-Y124 HydrophobicContact CG-CD2 4.29Å; L120-Y124 PolarHBondContact O-N 2.86Å; Y124-A128 HydrophobicContact CD1-CB 3.75Å; Y124-A128 HydrophobicContact CG-CB 4.3Å; Y124-V130 HydrophobicContact CD1-CG2 3.55Å; Y124-V130 HydrophobicContact CD2-CG2 4.31Å; Y124-V130 HydrophobicContact CE1-CG2 3.56Å; Y124-V130 HydrophobicContact CE2-CG2 4.35Å; Y124-V130 HydrophobicContact CG-CG2 3.92Å
125	F	84.4	Confident	84	Confident	109 Å²	109	61 Å²	61	48%	0.478	31%	0.31	S	S	.	.			trans	-72.1	150.1	166.3	-64.6	-73.1	0	0	0	110.3	G56 Q58 N127 A128	G56-F125 WeakPolarHBondContact O-CD2 3.22Å; G56-F125 PolarHBondContact O-N 3.24Å; Q58-F125 HydrophobicContact CB-CE2 4.3Å; Q58-F125 HydrophobicContact CB-CZ 4.35Å; Q58-F125 HydrophobicContact CG-CD1 4.18Å; Q58-F125 HydrophobicContact CG-CD2 4.06Å; Q58-F125 HydrophobicContact CG-CE1 4.05Å; Q58-F125 HydrophobicContact CG-CE2 3.93Å; Q58-F125 HydrophobicContact CG-CG 4.19Å; Q58-F125 HydrophobicContact CG-CZ 3.92Å; F125-N127 PolarHBondContact O-N 3.39Å; F125-A128 WeakPolarHBondContact O-CB 3.47Å; F125-A128 PolarHBondContact O-N 3.01Å
126	K	77.9	Confident	84.2	Confident	161 Å²	161	54.2 Å²	54.2	70%	0.7	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25	179.1	-64.6	-176	178	-177.4	0	113.8
127	N	76.6	Confident	84.4	Confident	91 Å²	91	53.4 Å²	53.4	49%	0.487	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.2	-178.6	-61.8	20.7	0	0	0	113.1	Q3 K7 F125	Q3-N127 PolarHBondContact OE1-ND2 2.8Å; K7-N127 WeakPolarHBondContact CE-O 3.4Å; K7-N127 PolarHBondContact NZ-O 3.1Å; F125-N127 PolarHBondContact O-N 3.39Å
128	A	83.8	Confident	84.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-58	163	173.3	0	0	0	0	0	113	K7 Y55 Y124 F125 V130 C131	K7-A128 PolarHBondContact NZ-O 2.82Å; Y55-A128 WeakPolarHBondContact O-CB 3.48Å; Y124-A128 HydrophobicContact CD1-CB 3.75Å; Y124-A128 HydrophobicContact CG-CB 4.3Å; F125-A128 WeakPolarHBondContact O-CB 3.47Å; F125-A128 PolarHBondContact O-N 3.01Å; A128-V130 HydrophobicContact CB-CG2 4.24Å; A128-C131 HydrophobicContact CB-CB 4.16Å
129	L	84.3	Confident	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-65.8	-54.9	176.5	-175.6	155.6	0	0	0	109.5	I10 L11 A52 Y55 C131 S132 H135 F139	I10-L129 HydrophobicContact CB-CD1 4.08Å; I10-L129 HydrophobicContact CG2-CD1 3.65Å; L11-L129 HydrophobicContact CD2-CD1 4.13Å; L11-L129 HydrophobicContact CD2-CD2 4.38Å; L11-L129 HydrophobicContact CG-CD1 4.28Å; A52-L129 HydrophobicContact CB-CD1 4.26Å; Y55-L129 HydrophobicContact CD1-CB 3.98Å; L129-C131 PolarHBondContact O-N 3.26Å; L129-C131 VanDerWaalsContact O-N 3.14Å; L129-S132 PolarHBondContact O-N 2.99Å; L129-S132 VanDerWaalsContact O-N 3.09Å; L129-H135 HydrophobicContact CG-CB 4.44Å; L129-F139 HydrophobicContact CD2-CB 4.2Å; L129-F139 HydrophobicContact CD2-CD1 3.73Å; L129-F139 HydrophobicContact CD2-CE1 4.46Å; L129-F139 HydrophobicContact CD2-CG 4.21Å
130	V	84.8	Confident	85.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22	178.7	-61.9	0	0	0	0	114.5	L53 F113 L120 Y124 A128 L136	L53-V130 HydrophobicContact CD2-CG1 4.46Å; F113-V130 HydrophobicContact CD2-CG1 4.45Å; L120-V130 HydrophobicContact CD1-CB 4.44Å; L120-V130 HydrophobicContact CD1-CG2 3.88Å; L120-V130 HydrophobicContact CD2-CB 4.15Å; L120-V130 HydrophobicContact CD2-CG2 4.07Å; L120-V130 VanDerWaalsContact CD2-O 3.22Å; L120-V130 WeakPolarHBondContact CD2-O 3.47Å; L120-V130 HydrophobicContact CG-CG2 4.2Å; Y124-V130 HydrophobicContact CD1-CG2 3.55Å; Y124-V130 HydrophobicContact CD2-CG2 4.31Å; Y124-V130 HydrophobicContact CE1-CG2 3.56Å; Y124-V130 HydrophobicContact CE2-CG2 4.35Å; Y124-V130 HydrophobicContact CG-CG2 3.92Å; A128-V130 HydrophobicContact CB-CG2 4.24Å; V130-L136 HydrophobicContact CG1-CD1 4.49Å; V130-L136 WeakPolarHBondContact O-CD2 3.43Å
131	C	84.9	Confident	86	Confident	17 Å²	17	54.8 Å²	54.8	12%	0.115	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.6	177.3	-70.1	0	0	0	0	114.6	A128 L129	A128-C131 HydrophobicContact CB-CB 4.16Å; L129-C131 PolarHBondContact O-N 3.26Å; L129-C131 VanDerWaalsContact O-N 3.14Å
132	S	85.2	Confident	86.4	Confident	23 Å²	23	51.9 Å²	51.9	16%	0.161	26%	0.259	C	S	.	.	S	Bend	trans	-96.1	126	175.4	174	0	0	0	0	110.1	L129 D134 H135 L136	L129-S132 PolarHBondContact O-N 2.99Å; L129-S132 VanDerWaalsContact O-N 3.09Å; S132-D134 VanDerWaalsContact C-N 3.32Å; S132-D134 PolarHBondContact O-N 3.46Å; S132-H135 WeakPolarHBondContact CB-ND1 3.47Å; S132-H135 PolarHBondContact OG-ND1 2.87Å; S132-L136 WeakPolarHBondContact O-CB 3.28Å; S132-L136 PolarHBondContact O-N 2.86Å
133	H	85.8	Confident	86.7	Confident	103 Å²	103	46.2 Å²	46.2	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-43	-176.3	-173.9	81.9	0	0	0	112.3	Q114 T137	Q114-H133 PolarHBondContact NE2-CE1 3.28Å; Q114-H133 VanDerWaalsContact NE2-CE1 3.29Å; H133-T137 WeakPolarHBondContact O-CB 3.37Å; H133-T137 PolarHBondContact O-N 2.92Å; H133-T137 PolarHBondContact O-OG1 3.39Å
134	D	87.1	Confident	86.9	Confident	108 Å²	108	45.9 Å²	45.9	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-71.9	-48.2	-174.8	-34.1	-63.6	0	0	0	110.6	S132 L136 T137 L138	S132-D134 VanDerWaalsContact C-N 3.32Å; S132-D134 PolarHBondContact O-N 3.46Å; D134-L136 PolarHBondContact O-N 3.01Å; D134-T137 PolarHBondContact O-N 3.4Å; D134-T137 VanDerWaalsContact O-N 3.17Å; D134-L138 WeakPolarHBondContact O-CG 3.44Å; D134-L138 PolarHBondContact O-N 3.38Å
135	H	88.4	Confident	86.8	Confident	16 Å²	16	46.7 Å²	46.7	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-36.6	177.5	-60.6	80.4	0	0	0	112.4	K7 D8 L11 L129 S132 F139	K7-H135 WeakPolarHBondContact CB-CD2 3.1Å; D8-H135 IonicContact OD1-CD2 3.23Å; D8-H135 IonicContact OD1-NE2 3.91Å; L11-H135 HydrophobicContact CD1-CB 4.11Å; L129-H135 HydrophobicContact CG-CB 4.44Å; S132-H135 WeakPolarHBondContact CB-ND1 3.47Å; S132-H135 PolarHBondContact OG-ND1 2.87Å; H135-F139 WeakPolarHBondContact O-CB 3.36Å; H135-F139 PolarHBondContact O-N 2.88Å
136	L	89.4	Confident	87	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-34.5	173.4	-179.6	60.7	0	0	0	111.6	L110 F113 Q114 V130 S132 D134 F139 L140	L110-L136 HydrophobicContact CB-CD1 4.44Å; L110-L136 HydrophobicContact CD2-CD1 4.17Å; F113-L136 HydrophobicContact CB-CD2 4.38Å; Q114-L136 HydrophobicContact CB-CD2 3.62Å; Q114-L136 HydrophobicContact CB-CG 4.48Å; Q114-L136 HydrophobicContact CG-CD2 4.03Å; V130-L136 HydrophobicContact CG1-CD1 4.49Å; V130-L136 WeakPolarHBondContact O-CD2 3.43Å; S132-L136 WeakPolarHBondContact O-CB 3.28Å; S132-L136 PolarHBondContact O-N 2.86Å; D134-L136 PolarHBondContact O-N 3.01Å; L136-F139 HydrophobicContact CD1-CD1 4.26Å; L136-F139 PolarHBondContact O-N 2.86Å; L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 PolarHBondContact O-N 2.89Å
137	T	89.9	Confident	87.2	Confident	51 Å²	51	39.6 Å²	39.6	31%	0.313	22%	0.219	S	C	.	.	H	α-helix	trans	-68	-43.1	175.2	-56.7	0	0	0	0	111	Q114 H133 D134 L140 T141	Q114-T137 PolarHBondContact NE2-OG1 2.58Å; H133-T137 WeakPolarHBondContact O-CB 3.37Å; H133-T137 PolarHBondContact O-N 2.92Å; H133-T137 PolarHBondContact O-OG1 3.39Å; D134-T137 PolarHBondContact O-N 3.4Å; D134-T137 VanDerWaalsContact O-N 3.17Å; T137-L140 WeakPolarHBondContact O-CB 3.26Å; T137-L140 PolarHBondContact O-N 3.2Å; T137-T141 PolarHBondContact O-N 3.16Å; T137-T141 PolarHBondContact O-OG1 2.82Å
138	L	90.6	Very high	87.4	Confident	97 Å²	97	43.1 Å²	43.1	51%	0.508	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-45.4	171.5	-70.2	172.2	0	0	0	111.5	L11 D134 L140 T141 L142	L11-L138 HydrophobicContact CD1-CB 3.96Å; L11-L138 HydrophobicContact CD1-CD1 4.07Å; D134-L138 WeakPolarHBondContact O-CG 3.44Å; D134-L138 PolarHBondContact O-N 3.38Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.81Å; L138-T141 PolarHBondContact O-N 3.05Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 3.05Å
139	F	92.6	Very high	87.5	Confident	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-42.4	176	-173.5	-160.8	0	0	0	111.8	L11 I14 L49 A52 L53 L110 L129 H135 L136 L142 V143	L11-F139 HydrophobicContact CD2-CB 3.74Å; L11-F139 HydrophobicContact CD2-CG 4.33Å; I14-F139 HydrophobicContact CD1-CD2 4.09Å; I14-F139 HydrophobicContact CD1-CE2 3.82Å; I14-F139 HydrophobicContact CD1-CZ 4.5Å; L49-F139 HydrophobicContact CD2-CE2 3.52Å; L49-F139 HydrophobicContact CD2-CZ 3.88Å; A52-F139 HydrophobicContact CB-CE1 4.38Å; A52-F139 HydrophobicContact CB-CZ 4.22Å; L53-F139 HydrophobicContact CD2-CE1 4.26Å; L110-F139 HydrophobicContact CD1-CD1 3.98Å; L110-F139 HydrophobicContact CD1-CD2 4.35Å; L110-F139 HydrophobicContact CD1-CE1 3.9Å; L110-F139 HydrophobicContact CD1-CE2 4.25Å; L110-F139 HydrophobicContact CD1-CG 4.21Å; L110-F139 HydrophobicContact CD1-CZ 4.04Å; L110-F139 HydrophobicContact CD2-CD1 4.1Å; L110-F139 HydrophobicContact CD2-CE1 3.77Å; L110-F139 HydrophobicContact CD2-CZ 4.46Å; L129-F139 HydrophobicContact CD2-CB 4.2Å; L129-F139 HydrophobicContact CD2-CD1 3.73Å; L129-F139 HydrophobicContact CD2-CE1 4.46Å; L129-F139 HydrophobicContact CD2-CG 4.21Å; H135-F139 WeakPolarHBondContact O-CB 3.36Å; H135-F139 PolarHBondContact O-N 2.88Å; L136-F139 HydrophobicContact CD1-CD1 4.26Å; L136-F139 PolarHBondContact O-N 2.86Å; F139-L142 PolarHBondContact O-N 3.2Å; F139-V143 HydrophobicContact CD2-CG2 3.9Å; F139-V143 HydrophobicContact CE2-CG2 3.64Å; F139-V143 HydrophobicContact CZ-CG2 4.47Å; F139-V143 WeakPolarHBondContact O-CG2 3.42Å; F139-V143 PolarHBondContact O-N 3.42Å
140	L	91.6	Very high	87.4	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-56.8	-52.6	175.4	-168.6	75.1	0	0	0	110.8	E107 L110 R111 L136 T137 L138 L142 V143 S144	E107-L140 HydrophobicContact CG-CD1 3.7Å; E107-L140 HydrophobicContact CG-CG 4.16Å; E107-L140 VanDerWaalsContact O-CD1 3.25Å; E107-L140 WeakPolarHBondContact O-CD1 3.49Å; L110-L140 HydrophobicContact CB-CD1 3.66Å; R111-L140 HydrophobicContact CG-CD1 3.8Å; R111-L140 HydrophobicContact CG-CD2 3.94Å; L136-L140 WeakPolarHBondContact O-CB 3.45Å; L136-L140 PolarHBondContact O-N 2.89Å; T137-L140 WeakPolarHBondContact O-CB 3.26Å; T137-L140 PolarHBondContact O-N 3.2Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.81Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L140-V143 CarbonylContact O-C 3.58Å; L140-V143 PolarHBondContact O-N 2.87Å; L140-S144 PolarHBondContact O-N 3.36Å; L140-S144 PolarHBondContact O-OG 3.35Å
141	T	90.8	Very high	87.5	Confident	92 Å²	92	52.6 Å²	52.6	56%	0.564	27%	0.267	S	S	*	.	H	α-helix	trans	-59.7	-36.4	179.2	-56.6	0	0	0	0	113.1	T137 L138 S144 G145	T137-T141 PolarHBondContact O-N 3.16Å; T137-T141 PolarHBondContact O-OG1 2.82Å; L138-T141 PolarHBondContact O-N 3.05Å; T141-S144 WeakPolarHBondContact O-CB 3.44Å; T141-S144 PolarHBondContact O-N 2.91Å; T141-G145 PolarHBondContact O-N 2.95Å
142	L	90.8	Very high	87.6	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-37	174.5	-66.5	177.1	0	0	0	112.1	L11 I14 L138 F139 L140 G145	L11-L142 HydrophobicContact CB-CD1 4.33Å; L11-L142 HydrophobicContact CD2-CD1 4.42Å; L11-L142 VanDerWaalsContact O-CD1 3.27Å; L11-L142 WeakPolarHBondContact O-CD1 3.43Å; I14-L142 HydrophobicContact CB-CD1 4.2Å; I14-L142 HydrophobicContact CG2-CB 4.07Å; I14-L142 HydrophobicContact CG2-CD1 3.96Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 3.05Å; F139-L142 PolarHBondContact O-N 3.2Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L142-G145 PolarHBondContact O-N 2.7Å
143	V	90.7	Very high	87.7	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-75.4	-31.9	176.4	175	0	0	0	0	112	L49 L106 E107 L110 F139 L140 G145 L146	L49-V143 HydrophobicContact CD2-CG2 4.4Å; L106-V143 HydrophobicContact CB-CG1 4.02Å; L106-V143 HydrophobicContact CD2-CG1 3.92Å; L106-V143 HydrophobicContact CD2-CG2 4.29Å; L106-V143 HydrophobicContact CG-CG1 3.9Å; E107-V143 HydrophobicContact CB-CG1 3.98Å; L110-V143 HydrophobicContact CD1-CB 4.23Å; L110-V143 HydrophobicContact CD1-CG1 4.46Å; L110-V143 HydrophobicContact CD1-CG2 3.87Å; F139-V143 HydrophobicContact CD2-CG2 3.9Å; F139-V143 HydrophobicContact CE2-CG2 3.64Å; F139-V143 HydrophobicContact CZ-CG2 4.47Å; F139-V143 WeakPolarHBondContact O-CG2 3.42Å; F139-V143 PolarHBondContact O-N 3.42Å; L140-V143 CarbonylContact O-C 3.58Å; L140-V143 PolarHBondContact O-N 2.87Å; V143-G145 PolarHBondContact O-N 3.32Å; V143-L146 WeakPolarHBondContact O-CB 3.29Å; V143-L146 PolarHBondContact O-N 2.91Å
144	S	88	Confident	87.8	Confident	33 Å²	33	56.6 Å²	56.6	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-53.6	-35.3	170	-47.8	0	0	0	0	111.8	E107 L140 T141 L146 E147	E107-S144 WeakPolarHBondContact OE1-CB 3.37Å; E107-S144 PolarHBondContact OE1-OG 3.23Å; L140-S144 PolarHBondContact O-N 3.36Å; L140-S144 PolarHBondContact O-OG 3.35Å; T141-S144 WeakPolarHBondContact O-CB 3.44Å; T141-S144 PolarHBondContact O-N 2.91Å; S144-L146 PolarHBondContact O-N 2.79Å; S144-E147 WeakPolarHBondContact O-CB 3.43Å; S144-E147 PolarHBondContact O-N 3.31Å
145	G	86.2	Confident	87.7	Confident	20 Å²	20	52.4 Å²	52.4	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.1	176.7	0	0	0	0	0	115.4	Q22 T141 L142 V143	Q22-G145 VanDerWaalsContact NE2-CA 3.35Å; Q22-G145 PolarHBondContact NE2-O 2.88Å; T141-G145 PolarHBondContact O-N 2.95Å; L142-G145 PolarHBondContact O-N 2.7Å; V143-G145 PolarHBondContact O-N 3.32Å
146	L	87.3	Confident	87.6	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.8	179	-58.2	174.3	0	0	0	113.6	V18 L21 L45 L101 V143 S144 F148 I149 F151	V18-L146 HydrophobicContact CB-CD2 4.47Å; V18-L146 HydrophobicContact CG1-CD2 4.08Å; V18-L146 HydrophobicContact CG2-CD1 4.47Å; V18-L146 HydrophobicContact CG2-CD2 4.07Å; V18-L146 HydrophobicContact CG2-CG 4.31Å; L21-L146 HydrophobicContact CD2-CD2 4.05Å; L45-L146 HydrophobicContact CD2-CD1 3.97Å; L45-L146 HydrophobicContact CD2-CD2 3.95Å; L101-L146 HydrophobicContact CD2-CD1 3.96Å; V143-L146 WeakPolarHBondContact O-CB 3.29Å; V143-L146 PolarHBondContact O-N 2.91Å; S144-L146 PolarHBondContact O-N 2.79Å; L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.32Å; L146-F148 VanDerWaalsContact O-N 3.17Å; L146-I149 HydrophobicContact CD2-CD1 3.93Å; L146-I149 WeakPolarHBondContact O-CB 3.38Å; L146-I149 PolarHBondContact O-N 2.89Å; L146-F151 HydrophobicContact CD2-CZ 4.46Å
147	E	83.1	Confident	87.4	Confident	114 Å²	114	54.2 Å²	54.2	53%	0.533	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.1	-172	-173.9	179.5	-175.2	0	0	113.7	S144 I149	S144-E147 WeakPolarHBondContact O-CB 3.43Å; S144-E147 PolarHBondContact O-N 3.31Å; E147-I149 VanDerWaalsContact C-N 3.33Å
148	F	80.7	Confident	87.1	Confident	164 Å²	164	54.1 Å²	54.1	72%	0.719	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.8	-178.7	-59.2	-76.7	0	0	0	114.2	L146	L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.32Å; L146-F148 VanDerWaalsContact O-N 3.17Å
149	I	84.8	Confident	86.9	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.056	25%	0.25	C	C	.	.			trans	-94.1	129.4	-171.5	-56.6	-176	0	0	0	110	L21 Q22 F25 I35 L146 E147 F151	L21-I149 HydrophobicContact CB-CD1 4.41Å; L21-I149 HydrophobicContact CD2-CD1 3.88Å; L21-I149 HydrophobicContact CD2-CG2 4.12Å; L21-I149 HydrophobicContact CG-CD1 4.04Å; Q22-I149 HydrophobicContact CG-CD1 4.16Å; F25-I149 HydrophobicContact CD2-CG2 4.4Å; I35-I149 HydrophobicContact CD1-CG2 3.28Å; L146-I149 HydrophobicContact CD2-CD1 3.93Å; L146-I149 WeakPolarHBondContact O-CB 3.38Å; L146-I149 PolarHBondContact O-N 2.89Å; E147-I149 VanDerWaalsContact C-N 3.33Å; I149-F151 HydrophobicContact CB-CE2 3.91Å; I149-F151 HydrophobicContact CB-CZ 4.06Å; I149-F151 HydrophobicContact CG2-CD2 4.42Å; I149-F151 HydrophobicContact CG2-CE1 4.06Å; I149-F151 HydrophobicContact CG2-CE2 3.82Å; I149-F151 HydrophobicContact CG2-CZ 3.62Å; I149-F151 WeakPolarHBondContact O-CD2 3.48Å
150	R	82.6	Confident	86.6	Confident	168 Å²	168	49.6 Å²	49.6	63%	0.634	25%	0.25	S	C	*	.			trans	-91.8	122.3	-179.7	-68.1	-177.1	176.9	173.7	1.5	111.4	A34 I35	A34-R150 WeakPolarHBondContact CA-O 3.4Å; A34-R150 HydrophobicContact CB-CB 4.42Å; I35-R150 PolarHBondContact N-O 3.09Å
151	F	87.5	Confident	86.2	Confident	20 Å²	20	50.3 Å²	50.3	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.9	177.2	-57.4	-85.8	0	0	0	110.9	L21 I35 L42 L101 L146 I149 L153	L21-F151 HydrophobicContact CD2-CE1 3.74Å; L21-F151 HydrophobicContact CD2-CZ 3.72Å; I35-F151 HydrophobicContact CB-CD1 3.93Å; I35-F151 HydrophobicContact CB-CE1 4.38Å; I35-F151 HydrophobicContact CD1-CE1 4.33Å; I35-F151 HydrophobicContact CG2-CD1 3.78Å; I35-F151 HydrophobicContact CG2-CE1 4.06Å; I35-F151 CarbonylContact O-C 3.58Å; I35-F151 WeakPolarHBondContact O-CA 3.28Å; L42-F151 HydrophobicContact CD1-CD1 3.7Å; L42-F151 HydrophobicContact CD1-CE1 3.68Å; L101-F151 HydrophobicContact CB-CD2 4.25Å; L101-F151 HydrophobicContact CB-CG 4.46Å; L101-F151 HydrophobicContact CD2-CE2 4.5Å; L101-F151 WeakPolarHBondContact O-CD2 3.14Å; L146-F151 HydrophobicContact CD2-CZ 4.46Å; I149-F151 HydrophobicContact CB-CE2 3.91Å; I149-F151 HydrophobicContact CB-CZ 4.06Å; I149-F151 HydrophobicContact CG2-CD2 4.42Å; I149-F151 HydrophobicContact CG2-CE1 4.06Å; I149-F151 HydrophobicContact CG2-CE2 3.82Å; I149-F151 HydrophobicContact CG2-CZ 3.62Å; I149-F151 WeakPolarHBondContact O-CD2 3.48Å; F151-L153 HydrophobicContact CB-CD1 4.12Å; F151-L153 HydrophobicContact CB-CD2 4.16Å; F151-L153 HydrophobicContact CB-CG 3.85Å
152	D	86.9	Confident	85.8	Confident	80 Å²	80	51.5 Å²	51.5	43%	0.428	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	76.2	179.1	176.9	35.5	0	0	0	108	A34 I35 R36	A34-D152 HydrophobicContact CB-CB 3.57Å; I35-D152 PolarHBondContact O-N 3.21Å; R36-D152 HydrophobicContact CG-CB 4.13Å; R36-D152 IonicContact CZ-OD2 2.74Å; R36-D152 IonicContact NE-OD2 3.64Å; R36-D152 PolarHBondContact NE-OD2 2.97Å; R36-D152 IonicContact NH2-OD2 2.85Å; R36-D152 PolarHBondContact NH2-OD2 3.2Å; R36-D152 VanDerWaalsContact NH2-OD2 3.16Å
153	L	88.1	Confident	85.3	Confident	21 Å²	21	50.4 Å²	50.4	11%	0.11	26%	0.256	C	S	.	.			trans	-104.8	130.4	-166.7	-52.1	-172.2	0	0	0	112.9	I35 N37 L42 Y98 L101 F151	I35-L153 WeakPolarHBondContact O-CD2 3.46Å; N37-L153 VanDerWaalsContact OD1-CA 3.32Å; N37-L153 WeakPolarHBondContact OD1-CA 3.1Å; L42-L153 HydrophobicContact CD1-CD1 4.45Å; L42-L153 HydrophobicContact CD1-CD2 4.42Å; L42-L153 HydrophobicContact CD2-CD1 4.45Å; L42-L153 HydrophobicContact CD2-CD2 3.41Å; L42-L153 VanDerWaalsContact CD2-CD2 3.41Å; Y98-L153 HydrophobicContact CD2-CB 4.08Å; Y98-L153 HydrophobicContact CD2-CD1 4.13Å; Y98-L153 HydrophobicContact CG-CD1 3.95Å; L101-L153 HydrophobicContact CB-CD1 4.33Å; F151-L153 HydrophobicContact CB-CD1 4.12Å; F151-L153 HydrophobicContact CB-CD2 4.16Å; F151-L153 HydrophobicContact CB-CG 3.85Å
154	E	86.2	Confident	84.6	Confident	127 Å²	127	50.7 Å²	50.7	59%	0.593	26%	0.258	S	S	*	.			trans	-83.1	125.1	172.3	-169	178.3	-151.1	0	0	109.7	N37 V157	N37-E154 PolarHBondContact ND2-O 2.81Å; N37-E154 PolarHBondContact OD1-N 2.85Å; E154-V157 HydrophobicContact CB-CG2 3.83Å; E154-V157 HydrophobicContact CG-CG2 3.59Å
155	L	86.5	Confident	84.1	Confident	20 Å²	20	53.8 Å²	53.8	11%	0.105	27%	0.265	C	S	.	.			trans	-96.8	-25.2	-170.3	-55	178	0	0	0	114	L83 I86 L99 V157	L83-L155 HydrophobicContact CD2-CB 4.39Å; I86-L155 WeakPolarHBondContact CD1-O 3.46Å; L99-L155 HydrophobicContact CB-CD1 4.16Å; L99-L155 HydrophobicContact CB-CD2 4.25Å; L99-L155 HydrophobicContact CD1-CD1 3.89Å; L155-V157 PolarHBondContact O-N 3.19Å
156	D	85.6	Confident	83.7	Confident	39 Å²	39	53.6 Å²	53.6	21%	0.209	26%	0.259	C	S	.	.			trans	-98.4	47.5	-173.5	-164.1	24.7	0	0	0	112.4	L83 Q84 H85	L83-D156 WeakPolarHBondContact CB-OD1 3.47Å; L83-D156 HydrophobicContact CD2-CB 3.84Å; Q84-D156 PolarHBondContact N-OD1 2.74Å; Q84-D156 PolarHBondContact N-OD2 3.47Å; H85-D156 WeakPolarHBondContact CB-O 3.21Å; H85-D156 WeakPolarHBondContact CB-OD1 3.43Å; H85-D156 IonicContact CE1-OD2 2.73Å; H85-D156 IonicContact CG-OD1 3.63Å; H85-D156 IonicContact CG-OD2 2.95Å; H85-D156 PolarHBondContact N-OD1 3.22Å; H85-D156 VanDerWaalsContact ND1-CG 3.27Å; H85-D156 PolarHBondContact ND1-O 3.47Å; H85-D156 IonicContact ND1-OD1 3.16Å; H85-D156 PolarHBondContact ND1-OD1 3.03Å; H85-D156 IonicContact ND1-OD2 3.83Å; H85-D156 PolarHBondContact ND1-OD2 2.8Å
157	V	85.9	Confident	83.2	Confident	15 Å²	15	55 Å²	55	9%	0.091	27%	0.269	C	S	.	.			trans	-108.1	124.8	-173	-157.9	0	0	0	0	111.1	E154 L155 Y159 L160	E154-V157 HydrophobicContact CB-CG2 3.83Å; E154-V157 HydrophobicContact CG-CG2 3.59Å; L155-V157 PolarHBondContact O-N 3.19Å; V157-Y159 HydrophobicContact CB-CD1 3.97Å; V157-Y159 HydrophobicContact CB-CE1 3.83Å; V157-Y159 HydrophobicContact CG1-CD1 3.37Å; V157-Y159 HydrophobicContact CG1-CE1 3.49Å; V157-Y159 VanDerWaalsContact CG1-CE1 3.49Å; V157-Y159 HydrophobicContact CG1-CG 4.47Å; V157-Y159 HydrophobicContact CG2-CE1 4.45Å; V157-Y159 PolarHBondContact O-N 2.7Å; V157-L160 PolarHBondContact O-N 3.01Å
158	P	83.5	Confident	82.5	Confident	49 Å²	49	55.8 Å²	55.8	32%	0.318	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.8	-13	-169.7	24.2	-34.6	0	0	0	115	H85 L160 Y170	H85-P158 HydrophobicContact CB-CB 4.16Å; H85-P158 HydrophobicContact CB-CG 4.46Å; P158-L160 PolarHBondContact O-N 3.49Å; P158-Y170 HydrophobicContact CG-CE1 4.12Å
159	Y	85.1	Confident	81.9	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.012	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-69.2	-22	176	75.5	-106.3	0	0	0	112.8	N37 Y98 V157 D161 V162 A163 Y165 M166	N37-Y159 PolarHBondContact ND2-OH 3.39Å; Y98-Y159 WeakPolarHBondContact CE2-OH 3.37Å; Y98-Y159 PolarHBondContact OH-OH 2.94Å; V157-Y159 HydrophobicContact CB-CD1 3.97Å; V157-Y159 HydrophobicContact CB-CE1 3.83Å; V157-Y159 HydrophobicContact CG1-CD1 3.37Å; V157-Y159 HydrophobicContact CG1-CE1 3.49Å; V157-Y159 VanDerWaalsContact CG1-CE1 3.49Å; V157-Y159 HydrophobicContact CG1-CG 4.47Å; V157-Y159 HydrophobicContact CG2-CE1 4.45Å; V157-Y159 PolarHBondContact O-N 2.7Å; Y159-D161 VanDerWaalsContact C-N 3.28Å; Y159-D161 PolarHBondContact O-N 3.49Å; Y159-V162 CarbonylContact O-C 3.56Å; Y159-V162 WeakPolarHBondContact O-CA 3.35Å; Y159-V162 WeakPolarHBondContact O-CB 3.33Å; Y159-V162 PolarHBondContact O-N 2.86Å; Y159-A163 PolarHBondContact O-N 2.89Å; Y159-Y165 VanDerWaalsContact CD2-O 3.24Å; Y159-Y165 WeakPolarHBondContact CD2-O 3.34Å; Y159-Y165 WeakPolarHBondContact CE2-O 3.46Å; Y159-M166 HydrophobicContact CD1-CB 4.22Å; Y159-M166 HydrophobicContact CD1-CG 3.7Å; Y159-M166 HydrophobicContact CD1-SD 4.47Å; Y159-M166 HydrophobicContact CE1-CB 3.74Å; Y159-M166 HydrophobicContact CE1-CG 3.45Å; Y159-M166 VanDerWaalsContact CE1-CG 3.45Å; Y159-M166 HydrophobicContact CE1-SD 3.89Å; Y159-M166 HydrophobicContact CE2-CB 4.12Å; Y159-M166 HydrophobicContact CG-CG 4.42Å
160	L	86.3	Confident	80.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65	-30.6	-175.7	-66.2	170.5	0	0	0	112.7	I86 R94 A95 Y98 V157 P158 V162 A163	I86-L160 HydrophobicContact CD1-CB 4.08Å; I86-L160 HydrophobicContact CD1-CD1 3.91Å; R94-L160 HydrophobicContact CB-CB 4.39Å; R94-L160 HydrophobicContact CB-CD2 4.11Å; R94-L160 WeakPolarHBondContact CD-O 3.5Å; R94-L160 PolarHBondContact NH1-O 3.17Å; A95-L160 HydrophobicContact CB-CD1 4.42Å; Y98-L160 HydrophobicContact CD2-CD2 4.49Å; Y98-L160 HydrophobicContact CE1-CD2 4.04Å; Y98-L160 HydrophobicContact CE2-CD2 3.9Å; V157-L160 PolarHBondContact O-N 3.01Å; P158-L160 PolarHBondContact O-N 3.49Å; L160-V162 PolarHBondContact O-N 3.15Å; L160-A163 WeakPolarHBondContact CA-O 3.48Å
161	D	84.4	Confident	80.4	Confident	35 Å²	35	55.5 Å²	55.5	19%	0.187	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.5	170.1	-91.9	-16.1	0	0	0	113.2	A87 T88 G91 Y159	A87-D161 WeakPolarHBondContact CB-OD2 3.38Å; A87-D161 PolarHBondContact N-OD2 2.87Å; T88-D161 WeakPolarHBondContact CA-OD1 3.37Å; T88-D161 VanDerWaalsContact CB-OD1 3.22Å; T88-D161 WeakPolarHBondContact CB-OD1 3.34Å; T88-D161 HydrophobicContact CG2-CB 4.25Å; T88-D161 WeakPolarHBondContact CG2-OD1 3.35Å; T88-D161 PolarHBondContact N-OD1 3.48Å; T88-D161 PolarHBondContact N-OD2 3.04Å; T88-D161 PolarHBondContact OG1-OD1 2.85Å; G91-D161 WeakPolarHBondContact CA-OD1 3.32Å; Y159-D161 VanDerWaalsContact C-N 3.28Å; Y159-D161 PolarHBondContact O-N 3.49Å
162	V	82.2	Confident	79.4	Confident	116 Å²	116	57.4 Å²	57.4	70%	0.703	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-58.9	-177.4	-173	0	0	0	0	110.8	R94 Y159 L160	R94-V162 VanDerWaalsContact NH1-C 3.26Å; R94-V162 PolarHBondContact NH1-O 3.45Å; Y159-V162 CarbonylContact O-C 3.56Å; Y159-V162 WeakPolarHBondContact O-CA 3.35Å; Y159-V162 WeakPolarHBondContact O-CB 3.33Å; Y159-V162 PolarHBondContact O-N 2.86Å; L160-V162 PolarHBondContact O-N 3.15Å
163	A	80.4	Confident	77.8	Confident	9 Å²	9	61.3 Å²	61.3	7%	0.074	30%	0.299	C	S	.	.			trans	-133.2	154.4	-171.7	0	0	0	0	0	112.5	Y159 L160 Y165	Y159-A163 PolarHBondContact O-N 2.89Å; L160-A163 WeakPolarHBondContact CA-O 3.48Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 HydrophobicContact CB-CD1 4.15Å; A163-Y165 HydrophobicContact CB-CD2 4.48Å; A163-Y165 HydrophobicContact CB-CE1 3.98Å; A163-Y165 HydrophobicContact CB-CE2 4.32Å; A163-Y165 HydrophobicContact CB-CG 4.38Å
164	P	75.8	Confident	76	Confident	13 Å²	13	68 Å²	68	8%	0.084	34%	0.335	C	S	.	.	S	Bend	trans	-80.8	-9.5	173.2	34.4	-33.8	0	0	0	112.9	E47 D50 Y98	E47-P164 HydrophobicContact CB-CG 4.26Å; E47-P164 HydrophobicContact CG-CG 4.38Å; D50-P164 HydrophobicContact CB-CB 3.88Å; D50-P164 HydrophobicContact CB-CG 4.37Å; Y98-P164 PolarHBondContact OH-O 2.7Å
165	Y	78.2	Confident	74.4	Confident	98 Å²	98	66.4 Å²	66.4	38%	0.384	33%	0.33	S	S	.	.	S	Bend	trans	-112.1	155.8	174.6	62.8	-96.1	0	0	0	110.4	Y159 A163 P167	Y159-Y165 VanDerWaalsContact CD2-O 3.24Å; Y159-Y165 WeakPolarHBondContact CD2-O 3.34Å; Y159-Y165 WeakPolarHBondContact CE2-O 3.46Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 HydrophobicContact CB-CD1 4.15Å; A163-Y165 HydrophobicContact CB-CD2 4.48Å; A163-Y165 HydrophobicContact CB-CE1 3.98Å; A163-Y165 HydrophobicContact CB-CE2 4.32Å; A163-Y165 HydrophobicContact CB-CG 4.38Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å
166	M	77.3	Confident	72.8	Confident	16 Å²	16	70.3 Å²	70.3	8%	0.079	35%	0.351	C	S	.	.			trans	-80.5	122.9	178.7	-168	170.8	81	0	0	111.2	N37 H38 Y159 K171	N37-M166 HydrophobicContact CB-SD 4.48Å; H38-M166 HydrophobicContact CB-CE 3.77Å; Y159-M166 HydrophobicContact CD1-CB 4.22Å; Y159-M166 HydrophobicContact CD1-CG 3.7Å; Y159-M166 HydrophobicContact CD1-SD 4.47Å; Y159-M166 HydrophobicContact CE1-CB 3.74Å; Y159-M166 HydrophobicContact CE1-CG 3.45Å; Y159-M166 VanDerWaalsContact CE1-CG 3.45Å; Y159-M166 HydrophobicContact CE1-SD 3.89Å; Y159-M166 HydrophobicContact CE2-CB 4.12Å; Y159-M166 HydrophobicContact CG-CG 4.42Å; M166-K171 HydrophobicContact CE-CB 4.21Å; M166-K171 HydrophobicContact CE-CG 3.63Å
167	P	75.8	Confident	71.2	Confident	38 Å²	38	70.1 Å²	70.1	25%	0.247	35%	0.35	C	S	.	.			trans	-70.9	149.8	176.5	-17	30.6	0	0	0	112.4	Y165 Y169 Y170	Y165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-Y169 PolarHBondContact O-N 3.12Å; P167-Y170 HydrophobicContact CB-CD2 4.15Å; P167-Y170 HydrophobicContact CG-CD2 4.08Å; P167-Y170 HydrophobicContact CG-CE2 4.42Å; P167-Y170 WeakPolarHBondContact O-CB 3.37Å; P167-Y170 PolarHBondContact O-N 3.17Å
168	E	67.8	Low	69.4	Low	129 Å²	129	71.4 Å²	71.4	60%	0.603	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-51.5	-36.2	-174.6	-153.1	66.7	-165.1	0	0	114.5	Y170 K171	E168-Y170 PolarHBondContact O-N 3.05Å; E168-K171 VanDerWaalsContact CD-CE 3.46Å; E168-K171 VanDerWaalsContact CD-NZ 3.29Å; E168-K171 WeakPolarHBondContact O-CB 3.49Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 WeakPolarHBondContact OE1-CD 3.46Å; E168-K171 VanDerWaalsContact OE1-CE 3.32Å; E168-K171 WeakPolarHBondContact OE1-CE 3.08Å; E168-K171 IonicContact OE1-NZ 3.24Å; E168-K171 PolarHBondContact OE1-NZ 3.36Å; E168-K171 WeakPolarHBondContact OE2-CE 3.32Å; E168-K171 IonicContact OE2-NZ 2.85Å; E168-K171 PolarHBondContact OE2-NZ 2.76Å; E168-K171 VanDerWaalsContact OE2-NZ 3.07Å
169	Y	68.7	Low	67.7	Low	194 Å²	194	71.6 Å²	71.6	76%	0.761	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-60.1	-26.5	177	177.9	-101	0	0	0	113.8	P167	P167-Y169 PolarHBondContact O-N 3.12Å
170	Y	65.1	Low	65.8	Low	104 Å²	104	78 Å²	78	41%	0.408	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-90	-1.6	177.6	-67.4	-85.6	0	0	0	113.2	P158 P167 E168	P158-Y170 HydrophobicContact CG-CE1 4.12Å; P167-Y170 HydrophobicContact CB-CD2 4.15Å; P167-Y170 HydrophobicContact CG-CD2 4.08Å; P167-Y170 HydrophobicContact CG-CE2 4.42Å; P167-Y170 WeakPolarHBondContact O-CB 3.37Å; P167-Y170 PolarHBondContact O-N 3.17Å; E168-Y170 PolarHBondContact O-N 3.05Å
171	K	70.2	Confident	63.9	Low	40 Å²	40	84.3 Å²	84.3	17%	0.174	40%	0.404	C	S	.	.	S	Bend	trans	-70.1	135.2	175.4	-74.9	-168.7	-172.8	171.8	0	111.9	M166 E168 H173 D177	M166-K171 HydrophobicContact CE-CB 4.21Å; M166-K171 HydrophobicContact CE-CG 3.63Å; E168-K171 VanDerWaalsContact CD-CE 3.46Å; E168-K171 VanDerWaalsContact CD-NZ 3.29Å; E168-K171 WeakPolarHBondContact O-CB 3.49Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-K171 WeakPolarHBondContact OE1-CD 3.46Å; E168-K171 VanDerWaalsContact OE1-CE 3.32Å; E168-K171 WeakPolarHBondContact OE1-CE 3.08Å; E168-K171 IonicContact OE1-NZ 3.24Å; E168-K171 PolarHBondContact OE1-NZ 3.36Å; E168-K171 WeakPolarHBondContact OE2-CE 3.32Å; E168-K171 IonicContact OE2-NZ 2.85Å; E168-K171 PolarHBondContact OE2-NZ 2.76Å; E168-K171 VanDerWaalsContact OE2-NZ 3.07Å; K171-H173 PolarHBondContact O-N 2.91Å; K171-H173 VanDerWaalsContact O-N 3.15Å; K171-H173 PolarHBondContact O-ND1 2.96Å; K171-D177 VanDerWaalsContact CE-OD2 3.26Å; K171-D177 WeakPolarHBondContact CE-OD2 3.26Å; K171-D177 IonicContact NZ-OD2 2.85Å; K171-D177 PolarHBondContact NZ-OD2 3.04Å
172	P	68.4	Low	61.7	Low	60 Å²	60	86.6 Å²	86.6	39%	0.39	42%	0.416	S	S	.	.			trans	-68.6	110.6	171.7	27.5	-32.1	0	0	0	110.1	N174 L175	P172-N174 PolarHBondContact O-N 3.02Å; P172-L175 HydrophobicContact CB-CD1 4.37Å; P172-L175 HydrophobicContact CG-CB 4.25Å; P172-L175 HydrophobicContact CG-CD1 3.81Å; P172-L175 HydrophobicContact CG-CG 4.32Å; P172-L175 PolarHBondContact O-N 3.21Å
173	H	52.8	Low	59.6	Low	161 Å²	161	86.8 Å²	86.8	75%	0.745	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	13.6	-170.7	-61.8	23.7	0	0	0	116.1	K171	K171-H173 PolarHBondContact O-N 2.91Å; K171-H173 VanDerWaalsContact O-N 3.15Å; K171-H173 PolarHBondContact O-ND1 2.96Å
174	N	50.2	Low	57.2	Low	162 Å²	162	91.6 Å²	91.6	87%	0.866	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	14.2	-178	-61.1	-84.1	0	0	0	113.1	P172	P172-N174 PolarHBondContact O-N 3.02Å
175	L	52.5	Low	55.3	Low	93 Å²	93	96.2 Å²	96.2	49%	0.487	49%	0.485	S	S	.	.	S	Bend	trans	-109.1	129.6	169.3	-74.6	176.1	0	0	0	109.2	P172 D177	P172-L175 HydrophobicContact CB-CD1 4.37Å; P172-L175 HydrophobicContact CG-CB 4.25Å; P172-L175 HydrophobicContact CG-CD1 3.81Å; P172-L175 HydrophobicContact CG-CG 4.32Å; P172-L175 PolarHBondContact O-N 3.21Å; L175-D177 PolarHBondContact O-N 3.07Å
176	L	52.1	Low	53	Low	103 Å²	103	94.2 Å²	94.2	54%	0.539	48%	0.481	S	S	.	.			trans	-65	114.5	168	-60.8	168.1	0	0	0	107.8	E180 R181	L176-E180 WeakPolarHBondContact CD2-OE2 3.34Å; L176-R181 PolarHBondContact O-NH2 3.17Å
177	D	53	Low	50.9	Low	35 Å²	35	99.2 Å²	99.2	19%	0.187	52%	0.518	C	S	.	.			trans	-57.4	144.6	175.5	-87.5	-19.8	0	0	0	109.2	K171 L175 E179 E180	K171-D177 VanDerWaalsContact CE-OD2 3.26Å; K171-D177 WeakPolarHBondContact CE-OD2 3.26Å; K171-D177 IonicContact NZ-OD2 2.85Å; K171-D177 PolarHBondContact NZ-OD2 3.04Å; L175-D177 PolarHBondContact O-N 3.07Å; D177-E179 PolarHBondContact O-N 2.77Å; D177-E180 VanDerWaalsContact O-CB 3.31Å; D177-E180 WeakPolarHBondContact O-CB 3.32Å; D177-E180 PolarHBondContact O-N 3.11Å
178	F	48.7	Very low	48.8	Very low	41 Å²	41	104.4 Å²	104.4	18%	0.18	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.2	-175.5	-84.3	-100.2	0	0	0	114.6	Y24 P33 D39 R181	Y24-F178 AromaticContact CZ-CD1 3.93Å; Y24-F178 WeakPolarHBondContact OH-CD1 3.38Å; Y24-F178 WeakPolarHBondContact OH-CE1 3.45Å; P33-F178 HydrophobicContact CB-CE1 3.9Å; P33-F178 HydrophobicContact CB-CZ 4.16Å; P33-F178 HydrophobicContact CG-CE1 4.12Å; D39-F178 WeakPolarHBondContact OD1-CD2 3.22Å; F178-R181 VanDerWaalsContact CD1-NH1 3.31Å
179	E	45.8	Very low	47	Very low	54 Å²	54	102.5 Å²	102.5	25%	0.252	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-20.6	173.3	-156.7	175.7	-122	0	0	112.9	R40 R44 D177 R181 L182	R40-E179 WeakPolarHBondContact CD-OE1 3.26Å; R40-E179 WeakPolarHBondContact CD-OE2 3.41Å; R40-E179 IonicContact CZ-OE2 3.39Å; R40-E179 IonicContact NE-OE2 2.89Å; R40-E179 IonicContact NH1-OE1 3.87Å; R40-E179 PolarHBondContact NH1-OE1 2.94Å; R40-E179 IonicContact NH1-OE2 3.5Å; R40-E179 PolarHBondContact NH1-OE2 3.36Å; R44-E179 IonicContact CZ-OE1 3.92Å; R44-E179 VanDerWaalsContact CZ-OE1 3.31Å; R44-E179 IonicContact NH1-OE1 3.66Å; R44-E179 PolarHBondContact NH1-OE1 2.79Å; R44-E179 IonicContact NH2-OE1 2.78Å; R44-E179 PolarHBondContact NH2-OE1 2.92Å; D177-E179 PolarHBondContact O-N 2.77Å; E179-R181 PolarHBondContact O-N 2.7Å; E179-L182 PolarHBondContact O-N 2.91Å; E179-L182 VanDerWaalsContact O-N 3.13Å; E179-L182 VanDerWaalsContact O-O 3.13Å
180	E	46.3	Very low	45.4	Very low	137 Å²	137	100.4 Å²	100.4	64%	0.64	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.4	177.7	-163.2	170.4	-139.5	0	0	112.4	L176 D177 L182	L176-E180 WeakPolarHBondContact CD2-OE2 3.34Å; D177-E180 VanDerWaalsContact O-CB 3.31Å; D177-E180 WeakPolarHBondContact O-CB 3.32Å; D177-E180 PolarHBondContact O-N 3.11Å; E180-L182 VanDerWaalsContact C-N 3.32Å
181	R	45.2	Very low	43.9	Very low	133 Å²	133	103 Å²	103	50%	0.502	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	6	168.7	-54.7	-172.5	-163.3	81.9	13.8	113.1	L176 F178 E179	L176-R181 PolarHBondContact O-NH2 3.17Å; F178-R181 VanDerWaalsContact CD1-NH1 3.31Å; E179-R181 PolarHBondContact O-N 2.7Å
182	L	40.1	Very low	41.9	Very low	83 Å²	83	106.2 Å²	106.2	44%	0.435	59%	0.588	S	S	.	*	S	Bend	trans	-121.6	146.2	178.8	-62.9	174.2	0	0	0	110.2	E179 E180 S184	E179-L182 PolarHBondContact O-N 2.91Å; E179-L182 VanDerWaalsContact O-N 3.13Å; E179-L182 VanDerWaalsContact O-O 3.13Å; E180-L182 VanDerWaalsContact C-N 3.32Å; L182-S184 PolarHBondContact O-N 2.93Å
183	P	36.3	Very low	40.2	Very low	120 Å²	120	113 Å²	113	78%	0.779	61%	0.612	S	S	*	*			trans	-62.2	130.4	168.4	26.8	-33.1	0	0	0	109.9	S185	P183-S185 PolarHBondContact O-N 3.4Å
184	S	30.7	Very low	39.1	Very low	110 Å²	110	111.9 Å²	111.9	77%	0.769	62%	0.616	S	S	*	*			trans	-83.7	71.5	-156.3	48.3	0	0	0	0	115.5	L182 D186	L182-S184 PolarHBondContact O-N 2.93Å; S184-D186 PolarHBondContact O-N 2.97Å
185	S	35.8	Very low	37.9	Very low	109 Å²	109	109.7 Å²	109.7	76%	0.762	61%	0.614	S	S	*	*			trans	-91.4	69.8	176	-65.8	0	0	0	0	114.1	P183	P183-S185 PolarHBondContact O-N 3.4Å
186	D	31.2	Very low	36.8	Very low	56 Å²	56	113.6 Å²	113.6	30%	0.299	63%	0.634	S	S	.	*			trans	-170.4	69.2	162.8	-101.5	-16.6	0	0	0	111.4	K20 R44 S184 L188	K20-D186 IonicContact NZ-OD1 4Å; K20-D186 PolarHBondContact NZ-OD1 3.03Å; K20-D186 IonicContact NZ-OD2 2.86Å; K20-D186 PolarHBondContact NZ-OD2 2.82Å; R44-D186 IonicContact CZ-OD2 2.76Å; R44-D186 IonicContact NE-OD2 3.25Å; R44-D186 VanDerWaalsContact NH2-CB 3.28Å; R44-D186 IonicContact NH2-OD2 2.5Å; R44-D186 PolarHBondContact NH2-OD2 3.02Å; S184-D186 PolarHBondContact O-N 2.97Å; D186-L188 PolarHBondContact O-N 3.04Å
187	S	31.8	Very low	35.6	Very low	121 Å²	121	115.4 Å²	115.4	85%	0.846	65%	0.649	S	S	*	*			trans	-81.8	39.4	-176.6	54.8	0	0	0	0	115.2	S189	S187-S189 PolarHBondContact O-N 3.15Å
188	L	32.8	Very low	34.3	Very low	148 Å²	148	119.4 Å²	119.4	78%	0.775	68%	0.68	S	S	*	*			trans	-90.8	91.3	165.6	-68.2	-180	0	0	0	110	D186	D186-L188 PolarHBondContact O-N 3.04Å
189	S	29.9	Very low	33.5	Very low	88 Å²	88	123.4 Å²	123.4	62%	0.615	71%	0.708	S	S	*	*			trans	-86.7	125	177.6	56.8	0	0	0	0	112.3	S187 H191	S187-S189 PolarHBondContact O-N 3.15Å; S189-H191 VanDerWaalsContact C-N 3.27Å; S189-H191 PolarHBondContact O-N 3.26Å
190	L	35.5	Very low	32.7	Very low	151 Å²	151	128 Å²	128	79%	0.791	74%	0.735	S	S	*	*			trans	-79	64.9	-176.7	-78.4	159.8	0	0	0	112.4
191	H	31.8	Very low	32	Very low	159 Å²	159	128.6 Å²	128.6	74%	0.736	74%	0.741	S	S	*	*			trans	-108.2	26	179.9	-72.5	-43.5	0	0	0	114.7	S189	S189-H191 VanDerWaalsContact C-N 3.27Å; S189-H191 PolarHBondContact O-N 3.26Å
192	S	29.6	Very low	31.2	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	76%	0.757	S	S	*	*	S	Bend	trans	-130.2	29.6	-177	-55.9	0	0	0	0	115.4
193	F	31.3	Very low	30.9	Very low	204 Å²	204	137.7 Å²	137.7	90%	0.895	78%	0.778	S	S	*	*			trans	-136.6	42.8	172.4	-88.1	-69.4	0	0	0	114.8
194	T	30	Very low	30.4	Very low	136 Å²	136	139.7 Å²	139.7	83%	0.834	78%	0.782	S	S	*	*			trans	-98.8	67.8	168.8	38.4	0	0	0	0	111.5
195	S	26.3	Very low	30.4	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	78%	0.777	S	S	*	*			trans	-140.1	74.6	174.7	-74.7	0	0	0	0	112	T197	S195-T197 PolarHBondContact O-N 3.1Å; S195-T197 VanDerWaalsContact O-N 3.1Å
196	L	28.8	Very low	30.1	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	78%	0.78	S	S	*	*			trans	-72.8	91.4	169.6	-75.1	168.2	0	0	0	110.6
197	T	27.5	Very low	30	Very low	140 Å²	140	142 Å²	142	86%	0.859	80%	0.797	S	S	*	*			trans	176.1	90.4	141.3	35.1	0	0	0	0	112.4	S195	S195-T197 PolarHBondContact O-N 3.1Å; S195-T197 VanDerWaalsContact O-N 3.1Å
198	S	25.6	Very low	30	Very low	119 Å²	119	144.3 Å²	144.3	83%	0.832	80%	0.798	S	S	*	*			trans	-172	123.1	139.2	50.6	0	0	0	0	111.1
199	T	31.1	Very low	29.7	Very low	126 Å²	126	141.6 Å²	141.6	77%	0.773	80%	0.797	S	S	*	*			trans	-70.8	127.9	156.6	47.9	0	0	0	0	109.1
200	N	28.5	Very low	30.3	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	80%	0.803	S	S	*	*				-176	138.2	124.1	-89.6	-13.1	0	0	0	110.6
201	L	31.7	Very low	29.8	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	80%	0.802	S	S	*	*			trans	-107	102.8	171.2	-174	88.5	0	0	0	106.9
202	E	28.9	Very low	29.7	Very low	180 Å²	180	138.2 Å²	138.2	84%	0.841	80%	0.802	S	S	*	*			trans	-149.4	142.4	172.4	-126.3	160.1	-142.5	0	0	109.9
203	W	33.6	Very low	29.8	Very low	227 Å²	227	142 Å²	142	86%	0.86	81%	0.807	S	S	*	*			trans	-99.9	151.1	178.6	-52.3	-24.7	0	0	0	109.4
204	D	25.5	Very low	29.7	Very low	162 Å²	162	139.1 Å²	139.1	87%	0.866	80%	0.801	S	S	*	*				-149.1	158.3	130	-143	-14.2	0	0	0	111.6
205	D	30.2	Very low	29.6	Very low	124 Å²	124	142.2 Å²	142.2	66%	0.663	80%	0.799	S	S	*	*			trans	-123.2	141.7	-179	-171.3	6.9	0	0	0	109.3
206	S	29.9	Very low	29.8	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	79%	0.792	S	S	*	*			trans	-160.8	107.2	175.1	-83.1	0	0	0	0	110.7
207	A	30	Very low	29.6	Very low	78 Å²	78	141.4 Å²	141.4	65%	0.645	78%	0.78	S	S	*	*			trans	-128.1	-176.5	178.1	0	0	0	0	0	110.4
208	I	31.4	Very low	29.5	Very low	170 Å²	170	137.9 Å²	137.9	87%	0.872	77%	0.771	S	S	*	*			trans	77.8	136.9	173.4	-48.5	171.3	0	0	0	110.6
209	A	27.1	Very low	29.8	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	76%	0.762	S	S	*	*			cis	-139.9	169.8	34.3	0	0	0	0	0	116.2
210	P	41.1	Very low	29.4	Very low	113 Å²	113	138 Å²	138	73%	0.734	76%	0.755	S	S	*	*			trans	-116.4	-174.4	-177	43.4	-33.7	0	0	0	115.6
211	S	26.2	Very low	29.3	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	75%	0.754	S	S	*	*			trans	97.8	160.5	152.4	76.7	0	0	0	0	121.6
212	S	30.2	Very low	29.9	Very low	103 Å²	103	135.6 Å²	135.6	72%	0.72	74%	0.739	S	S	*	*			trans	65.5	95.3	173.6	55.4	0	0	0	0	121
213	E	31.2	Very low	29.7	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.864	73%	0.734	S	S	*	*				24.4	126.8	116.5	-58	169.3	144.8	0	0	120.8
214	D	28.7	Very low	29.4	Very low	143 Å²	143	129 Å²	129	77%	0.765	73%	0.73	S	S	*	*				-178.4	151	124.8	-108.3	-25.7	0	0	0	112.9
215	Y	28.7	Very low	29.5	Very low	201 Å²	201	129 Å²	129	79%	0.788	72%	0.724	S	S	*	*			trans	17.8	138.7	167.1	-64.4	-100.5	0	0	0	121.9
216	D	29.2	Very low	29.4	Very low	126 Å²	126	127.5 Å²	127.5	67%	0.674	72%	0.724	S	S	*	*			cis	114	140.6	19.5	-174.3	42.1	0	0	0	113.9
217	F	25	Very low	29.3	Very low	150 Å²	150	129 Å²	129	66%	0.658	72%	0.722	S	S	*	*			trans	55.7	143.8	172.7	-106.6	-88.4	0	0	0	122.1	H513	F217-H513 AromaticContact CD1-CE1 3.82Å; F217-H513 AromaticContact CD1-NE2 3.44Å; F217-H513 WeakPolarHBondContact CD1-NE2 3.43Å; F217-H513 AromaticContact CE1-CE1 3.68Å; F217-H513 AromaticContact CE1-NE2 3.8Å
218	G	26.3	Very low	29.8	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	73%	0.727	S	S	*	*			trans	148.6	101.8	159.7	0	0	0	0	0	118.2
219	D	30.5	Very low	29.5	Very low	118 Å²	118	128.2 Å²	128.2	63%	0.631	72%	0.724	S	S	*	*			trans	-72.4	169.9	167	-87.2	-35.6	0	0	0	114	H513	D219-H513 PolarHBondContact N-NE2 2.98Å; D219-H513 IonicContact OD2-CE1 2.82Å; D219-H513 PolarHBondContact OD2-CE1 3.45Å; D219-H513 IonicContact OD2-ND1 3.55Å; D219-H513 PolarHBondContact OD2-ND1 3.41Å; D219-H513 IonicContact OD2-NE2 3.03Å
220	M	24.1	Very low	29.6	Very low	129 Å²	129	128 Å²	128	64%	0.635	72%	0.722	S	S	*	*				131.8	125.8	127.7	-168.5	170.5	-92.3	0	0	118.5	G511	M220-G511 VanDerWaalsContact CE-C 3.5Å; M220-G511 WeakPolarHBondContact CE-O 3.39Å
221	F	25.8	Very low	29	Very low	178 Å²	178	130.1 Å²	130.1	78%	0.781	73%	0.727	S	S	*	*			trans	-101.1	169	156.5	-83.7	-83.3	0	0	0	109.1	S510	F221-S510 WeakPolarHBondContact O-CB 3.39Å; F221-S510 PolarHBondContact O-OG 3.47Å
222	P	43.8	Very low	29.2	Very low	72 Å²	72	135.2 Å²	135.2	47%	0.468	73%	0.729	S	S	.	*			cis	-142.5	-167.6	-12.1	32.7	-7	0	0	0	115.1	T509	P222-T509 HydrophobicContact CG-CG2 4.04Å
223	V	25.1	Very low	29.1	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	73%	0.732	S	S	*	*			trans	68.5	119.2	134.2	148.8	0	0	0	0	124.2
224	L	27.2	Very low	29.1	Very low	147 Å²	147	138.3 Å²	138.3	77%	0.77	73%	0.732	S	S	*	*			trans	60.7	156.6	150.7	-60.7	175.9	0	0	0	119.1
225	Q	28.2	Very low	29	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	73%	0.731	S	S	*	*			cis	-155.4	-173	6	-134.3	-172.1	97	0	0	108.3
226	S	28.3	Very low	28.8	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	73%	0.73	S	S	*	*			cis	-153.4	-104.4	6.2	53.8	0	0	0	0	114.8
227	L	26.5	Very low	28.8	Very low	152 Å²	152	132.5 Å²	132.5	80%	0.796	73%	0.731	S	S	*	*			trans	-149.5	-174.6	-151.9	-110	88.8	0	0	0	111.8
228	P	41	Very low	29	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	74%	0.735	S	S	*	*			cis	-124.7	-165.3	8.7	46.6	-31	0	0	0	112.8
229	S	25.6	Very low	29	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	74%	0.739	S	S	*	*			cis	-153.6	164.8	14.3	52.3	0	0	0	0	111.7
230	A	30.1	Very low	28.8	Very low	86 Å²	86	137.5 Å²	137.5	71%	0.711	75%	0.748	S	S	*	*			trans	-108.3	175.3	-169.2	0	0	0	0	0	115
231	N	26.6	Very low	28.7	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	75%	0.75	S	S	*	*			trans	-147	152.8	155.3	-106.1	-19.4	0	0	0	111.2
232	W	30.8	Very low	28.7	Very low	218 Å²	218	132.3 Å²	132.3	83%	0.826	75%	0.752	S	S	*	*			trans	-87.6	-175.9	-165.8	-55.5	83.6	0	0	0	112.3
233	E	28.6	Very low	28.1	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	77%	0.768	S	S	*	*			cis	-150.8	172.3	19.8	-106.6	101.6	-150.3	0	0	107.9
234	E	30.3	Very low	28.7	Very low	187 Å²	187	135.2 Å²	135.2	87%	0.874	77%	0.774	S	S	*	*			cis	-165.6	142.7	-6.9	166	178	-112.6	0	0	109.1
235	G	28	Very low	28.6	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	78%	0.779	S	S	*	*			trans	76.6	150.5	158.5	0	0	0	0	0	120.6
236	D	24.6	Very low	28.7	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	78%	0.78	S	S	*	*			cis	-158.1	138.9	-12.9	-155.9	28	0	0	0	114.1
237	L	28.5	Very low	28.5	Very low	131 Å²	131	137.5 Å²	137.5	69%	0.686	79%	0.791	S	S	*	*			trans	35.2	134.1	157.5	-70.2	166.4	0	0	0	126.1
238	T	28.5	Very low	28.4	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	78%	0.784	S	S	*	*			trans	70.8	150.5	136.8	54	0	0	0	0	122.1
239	D	27.1	Very low	27.8	Very low	142 Å²	142	134 Å²	134	76%	0.759	79%	0.792	S	S	*	*			cis	-164.3	-174.7	-27.7	-152.9	-16.6	0	0	0	109.5
240	Q	25.6	Very low	27.8	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	79%	0.791	S	S	*	*			trans	-66.1	157.2	178.4	-55.3	174.1	27.3	0	0	114.8
241	A	23.6	Very low	28.4	Very low	83 Å²	83	136 Å²	136	69%	0.686	79%	0.788	S	S	*	*				161.2	151.1	106.8	0	0	0	0	0	116.7
242	S	25.4	Very low	28.4	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	78%	0.783	S	S	*	*			trans	67.3	129.4	142.2	58.8	0	0	0	0	123.5
243	C	30.4	Very low	28.2	Very low	121 Å²	121	131.3 Å²	131.3	82%	0.818	78%	0.778	S	S	*	*			trans	-77.7	175.8	156.7	-46.5	0	0	0	0	111.4
244	P	39	Very low	28	Very low	133 Å²	133	129.2 Å²	129.2	86%	0.864	78%	0.776	S	S	*	*				-148.5	-174.4	102.3	39	-21.7	0	0	0	116.8
245	R	24.7	Very low	27.8	Very low	231 Å²	231	126.4 Å²	126.4	87%	0.872	77%	0.771	S	S	*	*			trans	-89.4	162.5	-158.7	-52.8	168.5	167	-168.2	-6.7	117.3
246	S	30.2	Very low	27.9	Very low	109 Å²	109	129 Å²	129	76%	0.762	78%	0.778	S	S	*	*				76.4	153.5	129.6	61	0	0	0	0	124.3
247	A	24.2	Very low	27.9	Very low	109 Å²	109	128.6 Å²	128.6	90%	0.901	78%	0.776	S	S	*	*			trans	71.5	149	169.4	0	0	0	0	0	117.8
248	G	24.3	Very low	27.8	Very low	62 Å²	62	127.7 Å²	127.7	64%	0.639	78%	0.776	S	S	*	*			cis	160.4	156.3	-9.9	0	0	0	0	0	114.3
249	S	27	Very low	27.7	Very low	131 Å²	131	127.8 Å²	127.8	92%	0.916	78%	0.776	S	S	*	*			trans	69.9	146.7	166.3	35.2	0	0	0	0	122
250	D	27.1	Very low	27.6	Very low	148 Å²	148	126.6 Å²	126.6	79%	0.791	77%	0.774	S	S	*	*			trans	-76.9	-169.2	168.3	-147.8	27.9	0	0	0	109.7
251	P	42	Very low	27.7	Very low	98 Å²	98	123.7 Å²	123.7	64%	0.636	77%	0.768	S	S	*	*			cis	-148.4	172.6	17.4	45.2	-23.5	0	0	0	121.3
252	Q	26.3	Very low	27.8	Very low	161 Å²	161	125.7 Å²	125.7	75%	0.752	77%	0.772	S	S	*	*			trans	75.8	138.8	137.8	-92.6	-176.3	-4.2	0	0	124.9
253	T	26.2	Very low	27.9	Very low	116 Å²	116	124.3 Å²	124.3	71%	0.712	76%	0.762	S	S	*	*			trans	90.3	125.8	138.8	46.8	0	0	0	0	124.4
254	V	25.7	Very low	27.8	Very low	122 Å²	122	125 Å²	125	74%	0.739	76%	0.763	S	S	*	*			trans	83.9	108.2	136.6	171	0	0	0	0	120.4
255	V	25.7	Very low	27.3	Very low	127 Å²	127	122.6 Å²	122.6	77%	0.77	75%	0.754	S	S	*	*			trans	45.8	119.9	136.1	-175.8	0	0	0	0	119.4
256	S	28.8	Very low	27.5	Very low	125 Å²	125	118.5 Å²	118.5	87%	0.874	75%	0.754	S	S	*	*				-161	154.3	124.2	-84.7	0	0	0	0	113.1
257	D	26.2	Very low	27.4	Very low	140 Å²	140	116.3 Å²	116.3	75%	0.749	75%	0.749	S	S	*	*			trans	-107	157.8	-171.1	-154.6	-29.3	0	0	0	110.7
258	T	26	Very low	27.7	Very low	112 Å²	112	121.1 Å²	121.1	69%	0.687	75%	0.749	S	S	*	*			trans	40	142.4	152.5	30.9	0	0	0	0	124.6
259	V	26	Very low	27.8	Very low	122 Å²	122	124.8 Å²	124.8	74%	0.739	76%	0.759	S	S	*	*				90	105.9	129.9	158.4	0	0	0	0	121.9
260	V	25.7	Very low	27.9	Very low	117 Å²	117	123 Å²	123	71%	0.709	75%	0.753	S	S	*	*				88.7	106	118.4	163.9	0	0	0	0	122.6
261	V	27.4	Very low	27.9	Very low	115 Å²	115	120.4 Å²	120.4	70%	0.697	75%	0.752	S	S	*	*				86.8	152.1	119	164.5	0	0	0	0	123.1
262	T	25.9	Very low	27.1	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	77%	0.766	S	S	*	*			trans	74.7	151.3	163.2	46.9	0	0	0	0	119.4
263	S	27	Very low	27.1	Very low	87 Å²	87	127.3 Å²	127.3	61%	0.608	77%	0.769	S	S	*	*			cis	173.3	170.7	-49.3	51.9	0	0	0	0	111.1
264	T	27.7	Very low	27.1	Very low	136 Å²	136	127.8 Å²	127.8	83%	0.834	78%	0.777	S	S	*	*			trans	81.8	152.2	165.6	73.6	0	0	0	0	118
265	A	29.2	Very low	27.4	Very low	81 Å²	81	127.8 Å²	127.8	67%	0.669	78%	0.78	S	S	*	*			cis	-170.4	175.1	-27	0	0	0	0	0	111.3
266	V	29.4	Very low	27.5	Very low	145 Å²	145	126.9 Å²	126.9	88%	0.879	78%	0.779	S	S	*	*			trans	73.7	126	163	-162.3	0	0	0	0	116.7
267	G	27.9	Very low	27.5	Very low	63 Å²	63	126.2 Å²	126.2	65%	0.649	77%	0.774	S	S	*	*			cis	133.4	137.8	-12.2	0	0	0	0	0	115.1
268	K	30.7	Very low	27.8	Very low	210 Å²	210	124.8 Å²	124.8	91%	0.913	77%	0.773	S	S	*	*			trans	-173.2	165.3	155.6	-108.8	161.3	-171.8	174.6	0	113
269	T	26.4	Very low	27.9	Very low	139 Å²	139	126.5 Å²	126.5	85%	0.853	78%	0.784	S	S	*	*			trans	-149.5	168.1	-163.3	43.6	0	0	0	0	110.5
270	A	28.2	Very low	27.8	Very low	95 Å²	95	125.8 Å²	125.8	79%	0.785	78%	0.784	S	S	*	*			cis	-173.9	-164.3	-26.8	0	0	0	0	0	105.7
271	A	26.6	Very low	28	Very low	93 Å²	93	132 Å²	132	77%	0.769	80%	0.795	S	S	*	*			cis	-160.1	162	-0.3	0	0	0	0	0	109.1
272	R	25.5	Very low	27.9	Very low	245 Å²	245	135.8 Å²	135.8	93%	0.925	80%	0.804	S	S	*	*			trans	-152.2	103.8	154.8	-113.2	-174	-171.1	-154.8	2.8	112.8
273	L	26.8	Very low	28	Very low	158 Å²	158	136.8 Å²	136.8	83%	0.827	81%	0.805	S	S	*	*			trans	31.7	96	149.6	-60.7	169.9	0	0	0	119.2
274	S	27.1	Very low	28.6	Very low	126 Å²	126	137.3 Å²	137.3	88%	0.881	81%	0.806	S	S	*	*			trans	-169.2	100	144.1	-81.3	0	0	0	0	112.8
275	P	31.3	Very low	28.4	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	81%	0.805	S	S	*	*			trans	-125.3	162.6	157.2	38.4	-26.6	0	0	0	111
276	S	27.4	Very low	28.3	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	80%	0.8	S	S	*	*			cis	-150.2	154.9	5.1	48.8	0	0	0	0	111.3
277	S	28.6	Very low	28.3	Very low	111 Å²	111	141 Å²	141	78%	0.776	79%	0.791	S	S	*	*			trans	-58.7	157.7	159	-41.3	0	0	0	0	111.2
278	P	32.5	Very low	28.2	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	79%	0.793	S	S	*	*				-149.4	147.7	99.6	37.2	-21.3	0	0	0	115.8
279	T	28	Very low	28	Very low	149 Å²	149	138.9 Å²	138.9	91%	0.914	78%	0.783	S	S	*	*			trans	-138.1	75.6	161.5	-18.8	0	0	0	0	110.2
280	S	25.1	Very low	28	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	78%	0.781	S	S	*	*			trans	-95.8	120.3	173.6	54.2	0	0	0	0	110.7
281	R	30.5	Very low	28	Very low	248 Å²	248	140.2 Å²	140.2	94%	0.936	78%	0.776	S	S	*	*			trans	-127.7	111.5	152.5	-78	-165.4	172.6	-161.5	-2.4	109
282	H	24.4	Very low	27.9	Very low	193 Å²	193	142.5 Å²	142.5	89%	0.894	78%	0.776	S	S	*	*			trans	-129.8	142.1	167.5	-126.8	57.3	0	0	0	107.9
283	N	27.8	Very low	27.8	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	77%	0.767	S	S	*	*			trans	-64.3	-173.6	160.6	-88.3	-8	0	0	0	110.1
284	P	40.2	Very low	27.9	Very low	98 Å²	98	134.4 Å²	134.4	64%	0.636	76%	0.764	S	S	*	*			cis	-134.8	-160.6	-0	14.1	14.9	0	0	0	114.3
285	F	23.9	Very low	27.8	Very low	182 Å²	182	132.1 Å²	132.1	80%	0.798	75%	0.754	S	S	*	*			trans	91.2	106.7	154.2	-74.1	-76.6	0	0	0	120.4
286	N	26.9	Very low	27.6	Very low	107 Å²	107	133.4 Å²	133.4	57%	0.572	75%	0.754	S	S	*	*				42.4	151.7	108.9	-140.1	36.4	0	0	0	122.7
287	E	27.8	Very low	27.7	Very low	150 Å²	150	134.3 Å²	134.3	70%	0.701	75%	0.754	S	S	*	*			trans	73	102.6	154	-89.3	157.5	155.9	0	0	120.8
288	D	26.3	Very low	27.7	Very low	129 Å²	129	135 Å²	135	69%	0.69	75%	0.754	S	S	*	*				99.8	150.7	114.7	-101.9	-0.4	0	0	0	122.9
289	S	27.7	Very low	28.3	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	76%	0.757	S	S	*	*			trans	64.4	91.6	163.8	58.1	0	0	0	0	119.4
290	D	26.2	Very low	28.4	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	75%	0.746	S	S	*	*				54.6	153.3	109.6	-91.1	-36.5	0	0	0	123.5
291	T	26.8	Very low	28.5	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	75%	0.751	S	S	*	*			trans	71.1	105.3	158.2	51.2	0	0	0	0	120.5
292	N	24.9	Very low	28.2	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	75%	0.747	S	S	*	*				98.3	121.3	115.4	-70.3	-10.5	0	0	0	121.7
293	T	23.4	Very low	28.4	Very low	123 Å²	123	125.9 Å²	125.9	76%	0.755	74%	0.742	S	S	*	*			trans	73.6	90.3	131.9	-51.8	0	0	0	0	119
294	S	29.2	Very low	28.5	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	74%	0.741	S	S	*	*				-177.8	130.7	111.4	27	0	0	0	0	107.6
295	A	24.8	Very low	27.8	Very low	79 Å²	79	127.2 Å²	127.2	65%	0.653	74%	0.74	S	S	*	*				59.4	93.2	52.4	0	0	0	0	0	112.3
296	D	28.3	Very low	27.9	Very low	150 Å²	150	130 Å²	130	80%	0.802	75%	0.745	S	S	*	*				-178.7	152	100.2	-99.3	-23.7	0	0	0	116.1
297	V	28.8	Very low	27.9	Very low	126 Å²	126	130.2 Å²	130.2	76%	0.764	75%	0.746	S	S	*	*			trans	53.9	98.5	142	-178.6	0	0	0	0	119.1
298	T	29.2	Very low	27.9	Very low	125 Å²	125	128.1 Å²	128.1	77%	0.767	74%	0.744	S	S	*	*			trans	-76.5	167.3	134.5	55.3	0	0	0	0	109.4
299	P	44.4	Very low	28	Very low	119 Å²	119	126.1 Å²	126.1	77%	0.773	74%	0.737	S	S	*	*			cis	-140.3	-161.6	13.5	39.1	-15.9	0	0	0	116
300	V	28.9	Very low	28.2	Very low	114 Å²	114	129.4 Å²	129.4	69%	0.691	74%	0.741	S	S	*	*			trans	-42.5	164.3	178.2	-164.4	0	0	0	0	118.2
301	H	28.7	Very low	28.5	Very low	183 Å²	183	129.3 Å²	129.3	85%	0.847	74%	0.74	S	S	*	*			trans	96.3	151.5	166.9	-53.4	-72.5	0	0	0	115.5
302	A	24.6	Very low	28.9	Very low	104 Å²	104	132.1 Å²	132.1	86%	0.86	75%	0.746	S	S	*	*			cis	-133.1	178.9	13.8	0	0	0	0	0	114.3
303	A	27	Very low	29.5	Very low	95 Å²	95	130.8 Å²	130.8	79%	0.785	74%	0.743	S	S	*	*			trans	-120.6	163.5	-170.7	0	0	0	0	0	114
304	S	30.8	Very low	29.9	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	74%	0.744	S	S	*	*			trans	44.8	124.7	152	-168.8	0	0	0	0	120.4
305	R	25.7	Very low	30.2	Very low	164 Å²	164	132.3 Å²	132.3	62%	0.619	74%	0.736	S	S	*	*			trans	-154.1	106.5	141.6	-109.4	-174.7	-172.7	-168.6	6.2	114.1	N307	R305-N307 WeakPolarHBondContact CB-OD1 3.49Å; R305-N307 WeakPolarHBondContact CD-OD1 3.45Å
306	R	25.8	Very low	30.4	Very low	240 Å²	240	136 Å²	136	91%	0.906	75%	0.745	S	S	*	*	S	Bend		-104.7	91.1	113.7	-79.4	-179.2	170.3	173	-3.8	104.4
307	N	26.6	Very low	30.5	Very low	111 Å²	111	132 Å²	132	59%	0.594	74%	0.739	S	S	*	*				69.2	112.4	87.8	-70.3	-10.2	0	0	0	110.3	R305	R305-N307 WeakPolarHBondContact CB-OD1 3.49Å; R305-N307 WeakPolarHBondContact CD-OD1 3.45Å
308	T	26.9	Very low	30.5	Very low	107 Å²	107	132.8 Å²	132.8	66%	0.656	74%	0.739	S	S	*	*			cis	-135.6	-166.2	3.8	54.6	0	0	0	0	109.9
309	T	28.4	Very low	30.3	Very low	86 Å²	86	134 Å²	134	53%	0.528	74%	0.735	S	S	.	*			cis	-157	168.6	10.3	-22.9	0	0	0	0	110.3
310	E	32.2	Very low	29.5	Very low	169 Å²	169	134.7 Å²	134.7	79%	0.79	73%	0.732	S	S	*	*			trans	63.4	165.2	157.2	-76.5	143.9	-142	0	0	120.3
311	D	33.2	Very low	29.3	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	74%	0.736	S	S	*	*				-154.8	-169.3	-122	-137.8	-38.9	0	0	0	116.7
312	E	34.5	Very low	29.2	Very low	169 Å²	169	133.4 Å²	133.4	79%	0.79	73%	0.726	S	S	*	*			trans	92.8	111.1	170.8	-62.8	-163.1	178.4	0	0	117.7
313	T	37.4	Very low	29.2	Very low	114 Å²	114	134.5 Å²	134.5	70%	0.699	72%	0.716	S	S	*	*				83	146.5	65.4	53.8	0	0	0	0	115.2
314	E	33.4	Very low	29.2	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	72%	0.718	S	S	*	*			cis	-167.3	175.4	3.5	-116	-159.3	-66.5	0	0	107.9
315	V	33.6	Very low	28.9	Very low	96 Å²	96	143.4 Å²	143.4	58%	0.582	72%	0.722	S	S	*	*			cis	-172.3	162.8	-15.9	71.5	0	0	0	0	111.7
316	N	30.1	Very low	28.9	Very low	158 Å²	158	139.8 Å²	139.8	85%	0.845	73%	0.727	S	S	*	*			trans	62.5	165	163.5	-69.2	-20.2	0	0	0	120.3
317	G	29.5	Very low	29	Very low	65 Å²	65	137 Å²	137	67%	0.67	72%	0.721	S	S	*	*			cis	162.1	147.8	-11.8	0	0	0	0	0	115.5
318	N	28.6	Very low	29	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	73%	0.733	S	S	*	*			trans	57.3	128.3	159.3	-74.8	50.2	0	0	0	125.5
319	E	26.3	Very low	29.1	Very low	150 Å²	150	145.6 Å²	145.6	70%	0.701	74%	0.738	S	S	*	*				55.7	134.2	128.2	-73.8	-176.8	115.1	0	0	126.8
320	L	26.7	Very low	29.2	Very low	135 Å²	135	150.6 Å²	150.6	71%	0.707	75%	0.753	S	S	*	*			trans	71.8	134.1	134.2	-67.6	171.1	0	0	0	123.8
321	E	25	Very low	29.3	Very low	164 Å²	164	148.6 Å²	148.6	77%	0.766	75%	0.754	S	S	*	*			trans	80.9	138.1	135.9	-85.8	-168.6	-164.8	0	0	124.9
322	V	26.3	Very low	29	Very low	105 Å²	105	145.8 Å²	145.8	64%	0.636	75%	0.752	S	S	*	*			trans	78.8	100.9	134.9	170.1	0	0	0	0	121
323	I	26	Very low	29	Very low	127 Å²	127	147 Å²	147	65%	0.651	76%	0.755	S	S	*	*				61.9	115.5	124.1	-59.7	178.1	0	0	0	120
324	R	26.8	Very low	28.7	Very low	220 Å²	220	151 Å²	151	83%	0.83	76%	0.763	S	S	*	*			trans	74.5	125.9	147.1	-71.1	168.9	-164.7	168.7	4.1	121.9
325	M	24.5	Very low	28.5	Very low	172 Å²	172	154 Å²	154	85%	0.847	77%	0.766	S	S	*	*				72.5	99.1	127.2	-66.3	-73	-173.8	0	0	121.5
326	A	25.3	Very low	28.3	Very low	87 Å²	87	160 Å²	160	72%	0.719	78%	0.779	S	S	*	*				105.6	159	105.7	0	0	0	0	0	121.3
327	K	27.1	Very low	28.1	Very low	182 Å²	182	155.9 Å²	155.9	79%	0.791	77%	0.774	S	S	*	*			trans	79.4	109.3	166.4	-71.4	173	179.8	161.7	0	119.3
328	R	28.1	Very low	28	Very low	221 Å²	221	164.9 Å²	164.9	83%	0.834	79%	0.787	S	S	*	*				64.7	145.1	123.9	-74.7	178.7	167.9	178.3	-2.8	117.4
329	K	28.7	Very low	27.9	Very low	177 Å²	177	161.3 Å²	161.3	77%	0.77	79%	0.785	S	S	*	*			cis	-166.3	147	30.4	-142.4	172.4	-178.5	-180	0	111.7
330	K	30.7	Very low	28	Very low	191 Å²	191	159.7 Å²	159.7	83%	0.83	79%	0.79	S	S	*	*			trans	-71.2	149.1	154.9	-61.1	-175.7	-179.6	-174.9	0	110.4
331	P	33	Very low	28.1	Very low	127 Å²	127	158.6 Å²	158.6	83%	0.825	79%	0.789	S	S	*	*			trans	-91.8	151.9	149.3	34.4	-29.5	0	0	0	111.3
332	A	28	Very low	28.2	Very low	91 Å²	91	157.1 Å²	157.1	75%	0.752	79%	0.786	S	S	*	*			trans	-162.7	151.4	174.4	0	0	0	0	0	111.3
333	K	33.4	Very low	28.5	Very low	195 Å²	195	156.9 Å²	156.9	85%	0.848	79%	0.789	S	S	*	*			trans	-177	126.6	159.3	-97.2	143.8	-177.7	-177.5	0	107.8
334	K	32.6	Very low	28.5	Very low	199 Å²	199	156.7 Å²	156.7	87%	0.865	80%	0.799	S	S	*	*				79.7	115.2	57.5	-82.1	-165.1	171.5	-173.7	0	115.1
335	R	29.2	Very low	28.5	Very low	229 Å²	229	151.7 Å²	151.7	86%	0.864	80%	0.798	S	S	*	*				-160.8	164.9	127.5	-111	173	89.4	143.6	-0.3	113.8
336	R	29.4	Very low	28.8	Very low	222 Å²	222	148.2 Å²	148.2	84%	0.838	79%	0.79	S	S	*	*			trans	-47.9	160.9	-179.5	-49.6	163.9	-176.8	-164.2	-2.2	114.6
337	G	25.2	Very low	29	Very low	72 Å²	72	150.9 Å²	150.9	74%	0.742	79%	0.791	S	S	*	*			cis	129.2	145.2	-5.3	0	0	0	0	0	115.5
338	R	27.4	Very low	29	Very low	254 Å²	254	149.8 Å²	149.8	96%	0.958	79%	0.789	S	S	*	*			trans	66.9	112	167.3	179.8	-176.4	-88.2	-111.2	0.7	119.3
339	G	25.3	Very low	29	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	78%	0.781	S	S	*	*				128.2	141.4	105.8	0	0	0	0	0	120.3
340	S	28.9	Very low	28.9	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	78%	0.78	S	S	*	*			trans	68.6	145.9	162.7	-96.7	0	0	0	0	118.2
341	T	30.2	Very low	28.9	Very low	112 Å²	112	140.6 Å²	140.6	69%	0.687	79%	0.785	S	S	*	*			cis	171.9	158.6	-15.7	24.8	0	0	0	0	103.5
342	D	25.8	Very low	28.6	Very low	132 Å²	132	140 Å²	140	71%	0.706	78%	0.784	S	S	*	*			cis	-158.5	157.1	24.7	-123.3	-47	0	0	0	112.3
343	S	32.6	Very low	28.7	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	78%	0.781	S	S	*	*			trans	42.4	141.5	146.7	-57.8	0	0	0	0	122.1
344	S	26.2	Very low	28.4	Very low	122 Å²	122	139 Å²	139	85%	0.853	78%	0.777	S	S	*	*			cis	-152.9	171.6	41.9	-57.2	0	0	0	0	114.7
345	S	26.1	Very low	28.1	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	77%	0.767	S	S	*	*			trans	-87.6	-177.1	178.9	59.4	0	0	0	0	113.1
346	S	30.6	Very low	28	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	77%	0.765	S	S	*	*			cis	-148.7	167.9	11.1	49.5	0	0	0	0	109.9
347	I	30.2	Very low	27.8	Very low	143 Å²	143	129.5 Å²	129.5	73%	0.733	76%	0.764	S	S	*	*				-165.9	128.6	71.4	-83.8	-179.8	0	0	0	110.5
348	H	28.4	Very low	28	Very low	160 Å²	160	133.5 Å²	133.5	74%	0.741	77%	0.767	S	S	*	*			trans	32	141.6	146.1	-63.7	-77.8	0	0	0	123.7
349	T	26.3	Very low	27.8	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	76%	0.763	S	S	*	*			cis	178.9	134.7	-33.6	16.2	0	0	0	0	106.4
350	S	27.4	Very low	27.9	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	76%	0.761	S	S	*	*			cis	98.4	146.1	13.3	-47.7	0	0	0	0	116.5
351	L	30.5	Very low	27.7	Very low	177 Å²	177	132.5 Å²	132.5	93%	0.927	76%	0.755	S	S	*	*			trans	78.5	146.6	-168.5	-53.2	174.6	0	0	0	114.1
352	S	28	Very low	27.4	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	76%	0.756	S	S	*	*			cis	-143.9	-168	-11.9	55.4	0	0	0	0	107.8
353	S	28.4	Very low	27.2	Very low	99 Å²	99	132.2 Å²	132.2	69%	0.692	75%	0.754	S	S	*	*			cis	-155.4	158.5	10	-160.3	0	0	0	0	106.5
354	E	27.6	Very low	26.8	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	75%	0.753	S	S	*	*			cis	68.9	126.5	37	-77.9	-173.4	-148.5	0	0	114.8
355	H	27.4	Very low	26.7	Very low	142 Å²	142	134.8 Å²	134.8	66%	0.657	75%	0.752	S	S	*	*			cis	-164.7	166.9	10.4	-149.4	-57.8	0	0	0	112.7
356	V	25.7	Very low	26.6	Very low	134 Å²	134	137.4 Å²	137.4	81%	0.812	75%	0.751	S	S	*	*			trans	142.7	156.5	135.3	179.1	0	0	0	0	113.9
357	E	25.7	Very low	26.6	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	76%	0.757	S	S	*	*			trans	-106.1	-167.4	-151.9	-51.8	176.9	114.6	0	0	117.3
358	I	30	Very low	26.3	Very low	157 Å²	157	138.6 Å²	138.6	81%	0.805	76%	0.756	S	S	*	*			trans	-100.5	142.5	-163.2	-58.1	153	0	0	0	114.2
359	V	23.5	Very low	26.2	Very low	144 Å²	144	136.6 Å²	136.6	87%	0.873	76%	0.76	S	S	*	*			trans	-143.8	156.8	149	-176.4	0	0	0	0	109.8
360	N	26	Very low	26.2	Very low	122 Å²	122	138.4 Å²	138.4	65%	0.652	76%	0.764	S	S	*	*			trans	-138.2	159.5	-178.5	-169.1	11.3	0	0	0	111.9
361	H	25.1	Very low	25.9	Very low	150 Å²	150	138.4 Å²	138.4	69%	0.694	76%	0.764	S	S	*	*			trans	69.4	148.2	-179.7	-62.3	-81.4	0	0	0	115.9
362	N	23.7	Very low	25.6	Very low	132 Å²	132	135.2 Å²	135.2	71%	0.706	76%	0.757	S	S	*	*			cis	-165.4	155.2	20.6	-133.4	14.8	0	0	0	114.2
363	T	22.7	Very low	25.4	Very low	107 Å²	107	136.4 Å²	136.4	66%	0.656	76%	0.759	S	S	*	*			trans	60.7	139.6	144.8	-33.8	0	0	0	0	123.8
364	S	23.7	Very low	25.3	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	77%	0.766	S	S	*	*			trans	59.6	127.4	157.5	46.8	0	0	0	0	118.6
365	Q	23.5	Very low	25.1	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	76%	0.76	S	S	*	*			cis	82	132.8	39.8	-162.3	-179.7	0.5	0	0	113.8
366	E	24.9	Very low	25	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.804	76%	0.764	S	S	*	*			trans	70.8	147.4	-172.1	-49.1	-170.7	163.1	0	0	114.3
367	V	29.9	Very low	24.9	Very low	133 Å²	133	135.1 Å²	135.1	81%	0.806	76%	0.764	S	S	*	*			cis	-141.9	157.1	10.2	-137.6	0	0	0	0	112
368	D	24	Very low	24.9	Very low	133 Å²	133	133 Å²	133	71%	0.711	76%	0.758	S	S	*	*			trans	-84.9	158.3	-178	-53	-90.4	0	0	0	116.4	I370	D368-I370 HydrophobicContact CB-CD1 4.08Å
369	S	25.7	Very low	24.8	Very low	117 Å²	117	130 Å²	130	82%	0.818	75%	0.751	S	S	*	*			trans	167.5	116.7	139.6	-75.7	0	0	0	0	109.4
370	I	26.1	Very low	24.9	Very low	150 Å²	150	132.4 Å²	132.4	77%	0.769	75%	0.753	S	S	*	*			cis	87.6	140.7	37.8	-56.2	167.1	0	0	0	113.2	D368	D368-I370 HydrophobicContact CB-CD1 4.08Å
371	S	22.6	Very low	24.8	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	76%	0.761	S	S	*	*			trans	85.7	143.1	178.4	-147.6	0	0	0	0	115
372	S	23.2	Very low	24.8	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	77%	0.766	S	S	*	*			cis	-142.3	158.5	23.1	-60.9	0	0	0	0	116.5
373	T	23.8	Very low	24.8	Very low	138 Å²	138	131.6 Å²	131.6	85%	0.847	76%	0.762	S	S	*	*			trans	-99.5	-159.8	176.4	-37	0	0	0	0	111.1
374	V	26.8	Very low	24.8	Very low	140 Å²	140	132 Å²	132	85%	0.848	76%	0.761	S	S	*	*			trans	95.8	130.5	172.3	-177.5	0	0	0	0	113.5
375	A	23.8	Very low	24.8	Very low	77 Å²	77	137.9 Å²	137.9	64%	0.636	77%	0.767	S	S	*	*			cis	-147.4	160.4	5.2	0	0	0	0	0	114.1
376	L	24.1	Very low	24.8	Very low	143 Å²	143	134.6 Å²	134.6	75%	0.749	76%	0.764	S	S	*	*				26.2	146.8	122.5	-65.2	159.6	0	0	0	120.2
377	L	24.9	Very low	24.8	Very low	154 Å²	154	137.3 Å²	137.3	81%	0.806	77%	0.767	S	S	*	*			cis	-146.4	171	44.8	-80.5	165.8	0	0	0	115.9
378	D	25.6	Very low	24.6	Very low	131 Å²	131	137.6 Å²	137.6	70%	0.701	77%	0.769	S	S	*	*			trans	-61.4	179	-178.9	-41	-66	0	0	0	115.7
379	S	26.9	Very low	24.6	Very low	93 Å²	93	134.4 Å²	134.4	65%	0.65	77%	0.768	S	S	*	*			cis	-161.5	158.1	21.5	-155	0	0	0	0	115.6
380	E	25.3	Very low	24.6	Very low	195 Å²	195	134.8 Å²	134.8	91%	0.911	77%	0.77	S	S	*	*			trans	44.4	132.5	150.1	-72.7	168	155.7	0	0	123.2
381	G	24	Very low	24.5	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	76%	0.762	S	S	*	*			trans	162.6	96.4	161.8	0	0	0	0	0	118
382	E	24.8	Very low	24.7	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	77%	0.765	S	S	*	*			trans	-58.4	165.3	169.9	-64.8	-164.7	113.7	0	0	115.1
383	Q	23.7	Very low	24.9	Very low	135 Å²	135	134.8 Å²	134.8	63%	0.631	77%	0.768	S	S	*	*			cis	-168.9	161.4	1.4	-122.8	-175.5	54.7	0	0	111.9
384	N	23	Very low	25.2	Very low	115 Å²	115	136.6 Å²	136.6	62%	0.615	77%	0.766	S	S	*	*			trans	48.1	133.4	143.2	-80.8	-48.9	0	0	0	125.9
385	R	24.8	Very low	25.3	Very low	224 Å²	224	139.2 Å²	139.2	85%	0.845	77%	0.77	S	S	*	*			trans	42.9	123.4	133.4	-63.6	175.3	163.8	-177.8	-4.1	119.5
386	S	23.3	Very low	25.3	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	78%	0.778	S	S	*	*				162.3	165.9	73.4	52.7	0	0	0	0	113.6
387	R	25.2	Very low	25.4	Very low	228 Å²	228	136.2 Å²	136.2	86%	0.86	78%	0.78	S	S	*	*			trans	51.2	123.5	148.9	-81.1	-176	168.6	173.9	-3.8	122.1
388	V	24	Very low	25.7	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	79%	0.785	S	S	*	*				54.2	118	127.6	-176.7	0	0	0	0	119.1
389	G	24.1	Very low	25.9	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.793	S	S	*	*				126.5	111.1	123.6	0	0	0	0	0	119
390	S	26.3	Very low	26	Very low	125 Å²	125	139.5 Å²	139.5	87%	0.874	80%	0.795	S	S	*	*			trans	70.3	145.6	134.3	-140.6	0	0	0	0	122.5
391	A	25	Very low	26.4	Very low	73 Å²	73	136.3 Å²	136.3	60%	0.603	79%	0.789	S	S	*	*			trans	79.5	113.6	140	0	0	0	0	0	122.9
392	I	26.9	Very low	26.7	Very low	158 Å²	158	140 Å²	140	81%	0.81	79%	0.785	S	S	*	*				51.8	124.5	126.4	-40.8	160.4	0	0	0	119.5
393	V	27.4	Very low	27.1	Very low	136 Å²	136	134.8 Å²	134.8	82%	0.824	78%	0.777	S	S	*	*				173.8	150.1	118.5	154.2	0	0	0	0	109.7
394	E	28.6	Very low	27.6	Very low	175 Å²	175	135.2 Å²	135.2	82%	0.818	78%	0.783	S	S	*	*			trans	-86.9	161.4	179.3	-54.7	176.1	119	0	0	113.3
395	E	28.7	Very low	28	Very low	196 Å²	196	137.4 Å²	137.4	92%	0.916	79%	0.794	S	S	*	*				162	152.1	117.1	-88.3	-161.1	130	0	0	113
396	G	25.3	Very low	28.2	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	80%	0.797	S	S	*	*			trans	106.4	115.8	151.3	0	0	0	0	0	119.7
397	G	25.7	Very low	28.6	Very low	78 Å²	78	141.2 Å²	141.2	80%	0.804	80%	0.803	S	S	*	*			trans	-87.3	-165.5	149.4	0	0	0	0	0	111
398	E	31.6	Very low	29	Very low	194 Å²	194	135.8 Å²	135.8	91%	0.907	80%	0.797	S	S	*	*			cis	-143.6	-172.8	4.9	-63.3	-170.7	79.2	0	0	107.6
399	E	29.7	Very low	29.3	Very low	186 Å²	186	138 Å²	138	87%	0.869	80%	0.798	S	S	*	*			cis	-118.7	-152.9	10.8	-45.9	178.5	49.3	0	0	109.9
400	G	28.8	Very low	29.8	Very low	67 Å²	67	143.5 Å²	143.5	69%	0.691	81%	0.809	S	S	*	*			cis	111.5	142.8	7.6	0	0	0	0	0	112.7
401	V	32.6	Very low	30.2	Very low	129 Å²	129	143.3 Å²	143.3	78%	0.782	80%	0.802	S	S	*	*			cis	-156.4	153	0.9	178.5	0	0	0	0	106.1
402	E	31.8	Very low	30.9	Very low	157 Å²	157	146.5 Å²	146.5	73%	0.734	81%	0.809	S	S	*	*			cis	-115.1	-133.6	10.4	-146	-170.1	-75.3	0	0	111.2	L404	E402-L404 WeakPolarHBondContact OE2-CD1 3.26Å; E402-L404 VanDerWaalsContact OE2-CG 3.32Å; E402-L404 WeakPolarHBondContact OE2-CG 3.15Å
403	G	32.3	Very low	32	Very low	62 Å²	62	143.9 Å²	143.9	64%	0.639	80%	0.801	S	S	*	*			cis	93.9	139.7	8.3	0	0	0	0	0	114
404	L	34.1	Very low	32.9	Very low	145 Å²	145	141.3 Å²	141.3	76%	0.759	79%	0.789	S	S	*	*			cis	-148.2	172.7	-5.1	-72.3	174.5	0	0	0	107.8	E402	E402-L404 WeakPolarHBondContact OE2-CD1 3.26Å; E402-L404 VanDerWaalsContact OE2-CG 3.32Å; E402-L404 WeakPolarHBondContact OE2-CG 3.15Å
405	L	31.4	Very low	33.7	Very low	161 Å²	161	140.1 Å²	140.1	84%	0.843	79%	0.785	S	S	*	*			cis	-126.7	153.9	11.4	-69.9	158.4	0	0	0	110.6
406	R	30.2	Very low	34.7	Very low	245 Å²	245	137.3 Å²	137.3	93%	0.925	78%	0.776	S	S	*	*			trans	-139.9	156.3	167.5	-93.2	-171.9	172.5	-168	-2.6	111.6
407	L	30.1	Very low	36	Very low	166 Å²	166	139 Å²	139	87%	0.869	77%	0.771	S	S	*	*			trans	-124.8	163.2	168	-86	172.3	0	0	0	109
408	P	35.2	Very low	37.3	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	76%	0.76	S	S	*	*			trans	-88.8	161.1	-141.2	33.4	-38.1	0	0	0	116
409	E	30.4	Very low	38.2	Very low	186 Å²	186	132.5 Å²	132.5	87%	0.869	74%	0.737	S	S	*	*			trans	-86.5	137.9	172.7	-168.6	161	-132.3	0	0	109.8
410	M	32.9	Very low	39.1	Very low	183 Å²	183	130.8 Å²	130.8	90%	0.901	73%	0.729	S	S	*	*			trans	-111.3	116.3	173.7	-79.9	-178.5	58.9	0	0	109.6	D412	M410-D412 PolarHBondContact O-N 2.95Å
411	T	35.8	Very low	40.3	Very low	120 Å²	120	131.3 Å²	131.3	74%	0.736	72%	0.721	S	S	*	*			trans	-78.5	114.6	172.7	51.4	0	0	0	0	110.5
412	D	39.4	Very low	41	Very low	140 Å²	140	131 Å²	131	75%	0.749	71%	0.714	S	S	*	*			trans	-72.6	136.6	162.8	-166	-15.8	0	0	0	109.2	M410 S414	M410-D412 PolarHBondContact O-N 2.95Å; D412-S414 WeakPolarHBondContact OD1-CB 3.47Å; D412-S414 PolarHBondContact OD1-N 3.45Å
413	T	50.7	Low	42.1	Very low	103 Å²	103	131.8 Å²	131.8	63%	0.632	71%	0.71	S	S	*	*			trans	-125	18	-177.6	44.7	0	0	0	0	112.2	M415	T413-M415 VanDerWaalsContact C-N 3.29Å; T413-M415 PolarHBondContact O-N 3.01Å
414	S	46.8	Very low	43.2	Very low	83 Å²	83	132.5 Å²	132.5	58%	0.58	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	-175.8	-171.6	0	0	0	0	115.2	D412	D412-S414 WeakPolarHBondContact OD1-CB 3.47Å; D412-S414 PolarHBondContact OD1-N 3.45Å
415	M	44.2	Very low	44.5	Very low	150 Å²	150	129.4 Å²	129.4	74%	0.739	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-15.2	-167.5	-79.7	-62.7	-57.1	0	0	116.7	T413 T417	T413-M415 VanDerWaalsContact C-N 3.29Å; T413-M415 PolarHBondContact O-N 3.01Å; M415-T417 PolarHBondContact O-N 2.85Å
416	D	49.4	Very low	45.5	Very low	137 Å²	137	127.4 Å²	127.4	73%	0.733	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-17.9	-171.2	-75	-49.2	0	0	0	114.7
417	T	53.6	Low	46.5	Very low	112 Å²	112	122.9 Å²	122.9	69%	0.687	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-12.4	-174.9	42.1	0	0	0	0	114.8	M415	M415-T417 PolarHBondContact O-N 2.85Å
418	V	51.8	Low	47.5	Very low	96 Å²	96	123.7 Å²	123.7	58%	0.582	66%	0.655	S	S	*	*	S	Bend	trans	-88	-17.9	-175.8	-143.6	0	0	0	0	113.2
419	G	50.7	Low	48.2	Very low	41 Å²	41	124.6 Å²	124.6	42%	0.423	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-7.2	-171.5	0	0	0	0	0	116.8
420	Q	48.5	Very low	49	Very low	149 Å²	149	122.6 Å²	122.6	70%	0.696	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-47.8	176.2	-69.9	-171.2	-8.7	0	0	113.5	L422 R423 D424	Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.59Å; Q420-R423 WeakPolarHBondContact O-CB 3.42Å; Q420-R423 PolarHBondContact O-N 2.99Å; Q420-D424 PolarHBondContact O-N 2.99Å
421	P	54.3	Low	49.5	Very low	79 Å²	79	117 Å²	117	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-56.4	-37	-179.5	-27.1	35.7	0	0	0	113.9	R423 V425	P421-R423 VanDerWaalsContact C-N 3.26Å; P421-R423 PolarHBondContact O-N 3.01Å; P421-V425 WeakPolarHBondContact O-CG2 3.33Å; P421-V425 PolarHBondContact O-N 2.82Å
422	L	46.6	Very low	49.7	Very low	123 Å²	123	115.6 Å²	115.6	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-64.7	-31.1	177.4	-150	84.2	0	0	0	112.6	Q420 M426	Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.59Å; L422-M426 WeakPolarHBondContact O-CG 3.28Å; L422-M426 PolarHBondContact O-N 2.93Å; L422-M426 VanDerWaalsContact O-N 3.13Å
423	R	55.7	Low	49.1	Very low	173 Å²	173	120.6 Å²	120.6	65%	0.653	64%	0.641	S	S	*	*	H	α-helix	trans	-77.8	-42.5	-177.9	-160.9	179.6	-55.8	-123.1	-2.1	111.4	Q420 P421 V425 M426 E427	Q420-R423 WeakPolarHBondContact O-CB 3.42Å; Q420-R423 PolarHBondContact O-N 2.99Å; P421-R423 VanDerWaalsContact C-N 3.26Å; P421-R423 PolarHBondContact O-N 3.01Å; R423-V425 VanDerWaalsContact C-N 3.26Å; R423-V425 PolarHBondContact O-N 2.82Å; R423-M426 PolarHBondContact O-N 2.82Å; R423-E427 PolarHBondContact O-N 3.18Å
424	D	56.1	Low	48.2	Very low	77 Å²	77	122.2 Å²	122.2	41%	0.412	65%	0.65	S	S	.	*	H	α-helix	trans	-55.6	-40.1	169.6	-100.7	63.9	0	0	0	112.1	Q420 R428	Q420-D424 PolarHBondContact O-N 2.99Å; D424-R428 WeakPolarHBondContact O-CD 3.22Å; D424-R428 WeakPolarHBondContact O-CG 3.48Å; D424-R428 PolarHBondContact O-N 3.02Å; D424-R428 VanDerWaalsContact O-N 3.12Å; D424-R428 IonicContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NE 3.16Å; D424-R428 IonicContact OD2-NH2 2.66Å; D424-R428 PolarHBondContact OD2-NH2 3.37Å
425	V	60.6	Low	47.5	Very low	79 Å²	79	123.5 Å²	123.5	48%	0.479	66%	0.657	S	S	.	*	H	α-helix	trans	-68.5	-40.7	176.8	169.4	0	0	0	0	111.5	P421 R423 R428 L429	P421-V425 WeakPolarHBondContact O-CG2 3.33Å; P421-V425 PolarHBondContact O-N 2.82Å; R423-V425 VanDerWaalsContact C-N 3.26Å; R423-V425 PolarHBondContact O-N 2.82Å; V425-R428 PolarHBondContact O-N 3.14Å; V425-L429 HydrophobicContact CG1-CD1 3.98Å; V425-L429 PolarHBondContact O-N 3.47Å
426	M	53.7	Low	46.8	Very low	120 Å²	120	122.6 Å²	122.6	59%	0.591	66%	0.662	S	S	*	*	H	α-helix	trans	-66.7	-38	176	-71.5	179.4	73.7	0	0	113.1	L422 R423 N430	L422-M426 WeakPolarHBondContact O-CG 3.28Å; L422-M426 PolarHBondContact O-N 2.93Å; L422-M426 VanDerWaalsContact O-N 3.13Å; R423-M426 PolarHBondContact O-N 2.82Å; M426-N430 PolarHBondContact O-N 3Å
427	E	51	Low	46	Very low	149 Å²	149	125 Å²	125	70%	0.696	67%	0.669	S	S	*	*	H	α-helix	trans	-67.3	-36.1	173.9	-76.1	-166.9	149	0	0	112.4	R423	R423-E427 PolarHBondContact O-N 3.18Å
428	R	50.8	Low	44.8	Very low	184 Å²	184	128.2 Å²	128.2	69%	0.694	68%	0.676	S	S	*	*	H	α-helix	trans	-70.6	-35.6	176.9	-69	169.3	-156.9	-155.6	8.1	112.9	D424 V425 G431	D424-R428 WeakPolarHBondContact O-CD 3.22Å; D424-R428 WeakPolarHBondContact O-CG 3.48Å; D424-R428 PolarHBondContact O-N 3.02Å; D424-R428 VanDerWaalsContact O-N 3.12Å; D424-R428 IonicContact OD2-CZ 3.22Å; D424-R428 IonicContact OD2-NE 3.16Å; D424-R428 IonicContact OD2-NH2 2.66Å; D424-R428 PolarHBondContact OD2-NH2 3.37Å; V425-R428 PolarHBondContact O-N 3.14Å; R428-G431 PolarHBondContact O-N 3.18Å
429	L	50.1	Low	43.7	Very low	133 Å²	133	132 Å²	132	70%	0.696	69%	0.687	S	S	*	*	H	α-helix	trans	-72.6	-29.9	177.2	-89.5	160.4	0	0	0	113.6	V425 G431	V425-L429 HydrophobicContact CG1-CD1 3.98Å; V425-L429 PolarHBondContact O-N 3.47Å; L429-G431 PolarHBondContact O-N 2.96Å
430	N	45.4	Very low	42.5	Very low	143 Å²	143	138 Å²	138	77%	0.765	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	3.2	172.5	-74	-13.9	0	0	0	113.7	M426	M426-N430 PolarHBondContact O-N 3Å
431	G	43.4	Very low	41.5	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	3.7	-172.6	0	0	0	0	0	116.4	R428 L429	R428-G431 PolarHBondContact O-N 3.18Å; L429-G431 PolarHBondContact O-N 2.96Å
432	S	41.8	Very low	40.1	Very low	91 Å²	91	143.2 Å²	143.2	64%	0.636	72%	0.723	S	S	*	*	S	Bend	trans	-140.7	161.9	-179.2	-167.9	0	0	0	0	111.5
433	W	26.8	Very low	39.1	Very low	245 Å²	245	143.6 Å²	143.6	93%	0.928	73%	0.725	S	S	*	*			trans	71	89.3	-172.9	-62.4	79.7	0	0	0	116.1
434	V	31.5	Very low	37.6	Very low	136 Å²	136	141.8 Å²	141.8	82%	0.824	73%	0.729	S	S	*	*			trans	-113.1	138.6	151.9	174.7	0	0	0	0	107.2
435	P	31.2	Very low	36.2	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	75%	0.747	S	S	*	*			trans	-68.3	153.4	179.9	-18.7	32.3	0	0	0	113.2
436	P	30.9	Very low	34.4	Very low	130 Å²	130	146.8 Å²	146.8	84%	0.844	76%	0.755	S	S	*	*			trans	-80.9	126.3	173.2	31.9	-32.5	0	0	0	112.1
437	E	30.8	Very low	33	Very low	189 Å²	189	146.3 Å²	146.3	88%	0.883	76%	0.762	S	S	*	*			trans	-123.4	134	160.8	-73	-170.3	160.6	0	0	109.4
438	E	29.8	Very low	31.8	Very low	178 Å²	178	145 Å²	145	83%	0.832	76%	0.76	S	S	*	*			trans	-126.9	105.4	165.4	-74.3	-162.3	145.7	0	0	111.2
439	Q	27.6	Very low	30.7	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	77%	0.765	S	S	*	*			trans	63.1	150.8	135	-69.5	-178.7	-2.4	0	0	120.1
440	E	25.7	Very low	29.4	Very low	169 Å²	169	143.8 Å²	143.8	79%	0.79	77%	0.772	S	S	*	*			cis	-130.4	161.1	14.5	-71	-177.5	126.3	0	0	114.7
441	D	27.1	Very low	28.4	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	77%	0.77	S	S	*	*			trans	62.8	104.9	146	-96.1	18.5	0	0	0	122.8
442	K	25.4	Very low	27.4	Very low	205 Å²	205	147.5 Å²	147.5	89%	0.891	78%	0.779	S	S	*	*				-163.6	171	102	-100.2	146.8	-158.6	123.7	0	114.9
443	N	25.1	Very low	26.9	Very low	131 Å²	131	148 Å²	148	70%	0.701	78%	0.779	S	S	*	*			trans	-132.5	126.6	-153.7	-175.4	10.1	0	0	0	112.7
444	N	25.6	Very low	27	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	78%	0.775	S	S	*	*			trans	64.8	155.5	169.7	-70.2	-37.7	0	0	0	117.2
445	Q	26.7	Very low	26.7	Very low	168 Å²	168	141.2 Å²	141.2	79%	0.785	77%	0.768	S	S	*	*			cis	-155.1	141.3	5.2	-139.3	175	-17.4	0	0	113.9
446	S	22	Very low	26.4	Very low	93 Å²	93	144.1 Å²	144.1	65%	0.65	77%	0.771	S	S	*	*			trans	38.6	131	145	63.8	0	0	0	0	125.2
447	C	25.1	Very low	26	Very low	111 Å²	111	146.3 Å²	146.3	75%	0.75	77%	0.771	S	S	*	*			trans	96	118.3	130.4	-83.3	0	0	0	0	124
448	D	24.9	Very low	26.5	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	76%	0.755	S	S	*	*			trans	82	104.5	131.5	-67.5	-50.5	0	0	0	124.5
449	Q	26.8	Very low	26.2	Very low	168 Å²	168	142.1 Å²	142.1	79%	0.785	76%	0.756	S	S	*	*				61.6	124.4	123.4	-63.9	-171.2	34.6	0	0	123.4
450	S	23.5	Very low	26.1	Very low	123 Å²	123	143.8 Å²	143.8	86%	0.86	75%	0.754	S	S	*	*			trans	91.3	161.1	133.3	79.7	0	0	0	0	120.5
451	S	24.5	Very low	26.1	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	75%	0.748	S	S	*	*			trans	-104.9	136.9	-152.1	51.7	0	0	0	0	115.5
452	Q	22.3	Very low	26.1	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	75%	0.747	S	S	*	*			trans	55.1	169.5	151.6	-61.9	-168	-11.6	0	0	118.8
453	P	31.9	Very low	26.3	Very low	100 Å²	100	136.7 Å²	136.7	65%	0.649	74%	0.74	S	S	*	*				-123.9	165.5	-62.5	37.4	-23.8	0	0	0	111.7
454	P	28.4	Very low	26.4	Very low	130 Å²	130	139.4 Å²	139.4	84%	0.844	75%	0.748	S	S	*	*			trans	-83.7	143.8	179.5	32.9	-34.3	0	0	0	113.6
455	V	24.4	Very low	26.4	Very low	110 Å²	110	136.8 Å²	136.8	67%	0.667	75%	0.753	S	S	*	*			trans	-131.4	125.6	174.2	172.8	0	0	0	0	110
456	Q	25	Very low	26.4	Very low	171 Å²	171	138.3 Å²	138.3	80%	0.799	76%	0.757	S	S	*	*			trans	66.1	124	170.7	-66.6	161.7	26.1	0	0	115.2
457	Q	23.6	Very low	27.7	Very low	177 Å²	177	139.1 Å²	139.1	83%	0.827	76%	0.76	S	S	*	*				68.7	154.1	65.6	-79.3	-162.7	14.3	0	0	114.4
458	P	40.7	Very low	28.4	Very low	84 Å²	84	139 Å²	139	55%	0.545	76%	0.758	S	S	.	*			cis	-140.7	177.8	-17.2	29.4	-6.8	0	0	0	115.7
459	F	23.4	Very low	29	Very low	195 Å²	195	140.8 Å²	140.8	86%	0.855	77%	0.767	S	S	*	*			trans	69.5	159.7	162.5	-57.7	-59.6	0	0	0	117
460	R	26.8	Very low	29.6	Very low	210 Å²	210	138.2 Å²	138.2	79%	0.792	77%	0.765	S	S	*	*			cis	-157.6	145.4	7.5	-145.7	175.7	175.7	178.6	0.4	111.7
461	N	24.9	Very low	29.8	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	76%	0.762	S	S	*	*			trans	50.9	156.3	144.1	-78.5	47.8	0	0	0	121
462	D	26.6	Very low	30.7	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	76%	0.759	S	S	*	*			cis	-141.8	159	10.5	-90.4	-52.1	0	0	0	111.3
463	S	29.2	Very low	30.9	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	76%	0.755	S	S	*	*			trans	52.8	151.6	147.8	-64	0	0	0	0	121.6
464	E	27.5	Very low	30.6	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.883	76%	0.755	S	S	*	*			cis	-159.1	159.9	4.1	-131.2	167.3	-164.5	0	0	110.9
465	G	26.6	Very low	30.4	Very low	80 Å²	80	140 Å²	140	83%	0.825	75%	0.745	S	S	*	*			trans	101.1	126.1	157	0	0	0	0	0	119.6
466	K	26.1	Very low	30.4	Very low	200 Å²	200	143 Å²	143	87%	0.87	75%	0.749	S	S	*	*			trans	-165.9	161.4	170	-147.2	-157.6	178.7	-177.5	0	109.1
467	P	48.8	Very low	30.4	Very low	110 Å²	110	141.3 Å²	141.3	71%	0.714	75%	0.746	S	S	*	*			cis	-94.9	-106.2	-27.2	31	-10.8	0	0	0	108.5
468	P	41.5	Very low	30.5	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	74%	0.739	S	S	*	*			cis	-120.7	162.2	-7.2	42.3	-27.8	0	0	0	116
469	D	36.1	Very low	29.7	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	75%	0.75	S	S	*	*			trans	-81.2	147.6	153.5	-94	-46.2	0	0	0	110
470	P	39.2	Very low	29.9	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	75%	0.75	S	S	*	*				-151.3	164	109.9	38.7	-22.1	0	0	0	117
471	T	29	Very low	29.8	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	75%	0.745	S	S	*	*			trans	-64.3	177.6	162	62.7	0	0	0	0	112.6
472	P	43.5	Very low	29.8	Very low	99 Å²	99	133.3 Å²	133.3	64%	0.643	76%	0.755	S	S	*	*			cis	-149.2	-168.3	15.6	45.2	-24.4	0	0	0	117.9
473	R	25.8	Very low	29.8	Very low	210 Å²	210	137.9 Å²	137.9	79%	0.792	76%	0.763	S	S	*	*			trans	70.3	164.4	157.1	-69.1	-167.4	-160.4	179.9	-3.5	117.9
474	E	25.2	Very low	30.3	Very low	138 Å²	138	138.2 Å²	138.2	65%	0.645	76%	0.763	S	S	*	*			cis	-140	153.7	-5.7	-114.7	146	-144.7	0	0	104.8
475	T	23.7	Very low	30	Very low	102 Å²	102	135.5 Å²	135.5	63%	0.626	75%	0.754	S	S	*	*			cis	121.8	158.3	20.3	-66.2	0	0	0	0	110.2
476	F	25	Very low	29.9	Very low	172 Å²	172	142 Å²	142	75%	0.754	75%	0.754	S	S	*	*			trans	87.4	119.9	-177.8	-56.5	-72.7	0	0	0	116.4
477	D	25.5	Very low	29.7	Very low	137 Å²	137	139 Å²	139	73%	0.733	75%	0.747	S	S	*	*			cis	94.4	145.2	39.2	-76	-43.9	0	0	0	113.1
478	S	25.5	Very low	28.5	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	75%	0.749	S	S	*	*			cis	-162.2	157.3	7.5	38.4	0	0	0	0	113.2
479	S	23.8	Very low	27.6	Very low	111 Å²	111	142 Å²	142	78%	0.776	75%	0.75	S	S	*	*			trans	160.5	131.4	142.3	43.2	0	0	0	0	108.8
480	L	27.6	Very low	27	Very low	166 Å²	166	139.4 Å²	139.4	87%	0.869	74%	0.744	S	S	*	*			cis	67	131.7	42.1	-61.8	170.1	0	0	0	113.9
481	A	25.3	Very low	26.8	Very low	83 Å²	83	139.4 Å²	139.4	69%	0.686	74%	0.744	S	S	*	*			cis	-169.3	166.8	-16.1	0	0	0	0	0	110.5
482	D	24	Very low	26.6	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	75%	0.745	S	S	*	*			trans	73.8	165.6	149	-131	-23.9	0	0	0	121.9
483	R	27.7	Very low	26	Very low	226 Å²	226	139.5 Å²	139.5	85%	0.853	75%	0.747	S	S	*	*			trans	-84	179.7	173.1	-79.5	176.1	166.1	179.5	-4.3	110.3
484	P	38.1	Very low	26.1	Very low	111 Å²	111	133.2 Å²	133.2	72%	0.721	74%	0.74	S	S	*	*			cis	-150.9	-165.1	25.5	45	-22	0	0	0	118.2
485	D	22.5	Very low	26.2	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	75%	0.745	S	S	*	*			trans	41.3	109.9	151.2	-81.7	-52.7	0	0	0	123.2
486	R	23.3	Very low	26.3	Very low	216 Å²	216	135.6 Å²	135.6	82%	0.815	75%	0.752	S	S	*	*				40.1	101.5	101.5	-161.5	-168.9	-164.7	-178.9	5.5	118.1
487	L	23.6	Very low	26.3	Very low	138 Å²	138	132.2 Å²	132.2	72%	0.723	75%	0.749	S	S	*	*				166	144.7	124.2	-88.8	168.7	0	0	0	112.4
488	Q	23.4	Very low	26.2	Very low	161 Å²	161	131 Å²	131	75%	0.752	75%	0.75	S	S	*	*			trans	35.9	136.3	141.4	-64.9	174	-22.1	0	0	120.5
489	T	21.9	Very low	26.2	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.724	76%	0.755	S	S	*	*			cis	-163.8	155.2	13.8	-0.7	0	0	0	0	112.5
490	S	22.7	Very low	26.1	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	75%	0.748	S	S	*	*			trans	15.9	142.2	136.7	-54.8	0	0	0	0	120.5
491	P	35.6	Very low	26	Very low	114 Å²	114	130.7 Å²	130.7	74%	0.74	75%	0.746	S	S	*	*				-141.9	144.5	64.1	43.2	-26.6	0	0	0	116.4
492	V	25.6	Very low	25.9	Very low	132 Å²	132	130.9 Å²	130.9	80%	0.8	76%	0.756	S	S	*	*				70.7	133.2	107.9	172.5	0	0	0	0	114.6
493	S	30.1	Very low	25.8	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	75%	0.754	S	S	*	*			cis	-167	178	-13.5	-88.5	0	0	0	0	105.8
494	A	27.7	Very low	26.7	Very low	77 Å²	77	122.8 Å²	122.8	64%	0.636	74%	0.744	S	S	*	*			cis	-149.9	139.7	15.9	0	0	0	0	0	107.9
495	D	26.9	Very low	26	Very low	140 Å²	140	124.1 Å²	124.1	75%	0.749	75%	0.745	S	S	*	*				74.9	131	96.3	-62.4	-20.2	0	0	0	114
496	L	25.8	Very low	26.2	Very low	150 Å²	150	123.3 Å²	123.3	79%	0.785	75%	0.75	S	S	*	*			cis	-151.7	160.5	9.5	-116.7	159.7	0	0	0	113.5
497	C	25.1	Very low	26.2	Very low	102 Å²	102	116.8 Å²	116.8	69%	0.689	74%	0.742	S	S	*	*			trans	-48.8	154	178.2	-60	0	0	0	0	115.8
498	C	25	Very low	26.2	Very low	112 Å²	112	117.4 Å²	117.4	76%	0.757	75%	0.746	S	S	*	*			cis	78.5	134.6	38	-57.8	0	0	0	0	115.8
499	V	23.8	Very low	26.3	Very low	130 Å²	130	114.3 Å²	114.3	79%	0.788	74%	0.739	S	S	*	*			trans	72.6	142.5	134.8	162.8	0	0	0	0	118.7
500	T	23.6	Very low	26.5	Very low	104 Å²	104	111.6 Å²	111.6	64%	0.638	72%	0.724	S	S	*	*			cis	-164.3	176.1	-18.7	39.8	0	0	0	0	109
501	T	25	Very low	26.6	Very low	134 Å²	134	109.7 Å²	109.7	82%	0.822	72%	0.722	S	S	*	*			trans	37.2	126.3	141.3	58	0	0	0	0	121.3
502	G	21.9	Very low	26.1	Very low	86 Å²	86	107.1 Å²	107.1	89%	0.887	72%	0.716	S	S	*	*			trans	-151.3	118.7	160.4	0	0	0	0	0	112.7
503	S	22	Very low	26.1	Very low	117 Å²	117	104.4 Å²	104.4	82%	0.818	69%	0.694	S	S	*	*			trans	-127.5	163	168.7	-160.1	0	0	0	0	106.6
504	P	48.2	Very low	26.1	Very low	99 Å²	99	104.7 Å²	104.7	64%	0.643	69%	0.688	S	S	*	*			cis	-128.1	-148.8	-4.3	27.5	-2.1	0	0	0	111.4
505	D	22.8	Very low	25.9	Very low	139 Å²	139	107.8 Å²	107.8	74%	0.743	69%	0.694	S	S	*	*			trans	87.9	110	146	-67.3	-17.9	0	0	0	122.4
506	S	25.5	Very low	26.1	Very low	117 Å²	117	105.8 Å²	105.8	82%	0.818	69%	0.691	S	S	*	*				107.5	150.6	119.9	76.4	0	0	0	0	120.8
507	A	24.1	Very low	26.1	Very low	78 Å²	78	104.8 Å²	104.8	65%	0.645	69%	0.691	S	S	*	*			trans	74.2	121.3	159.5	0	0	0	0	0	118.8
508	D	24.3	Very low	26.2	Very low	152 Å²	152	107 Å²	107	81%	0.813	69%	0.691	S	S	*	*				45.7	145.2	117.6	-66.3	-50.5	0	0	0	120.7
509	T	25.4	Very low	26.3	Very low	96 Å²	96	109.1 Å²	109.1	59%	0.589	69%	0.69	S	S	*	*			cis	-173.9	172.1	-11	-105.2	0	0	0	0	104.6	P222	P222-T509 HydrophobicContact CG-CG2 4.04Å
510	S	24.9	Very low	26.5	Very low	60 Å²	60	108.2 Å²	108.2	42%	0.42	69%	0.689	S	S	.	*			trans	-14.5	133.8	164.1	-166.6	0	0	0	0	116.8	F221	F221-S510 WeakPolarHBondContact O-CB 3.39Å; F221-S510 PolarHBondContact O-OG 3.47Å
511	G	25.5	Very low	26.8	Very low	66 Å²	66	111.6 Å²	111.6	68%	0.68	70%	0.698	S	S	*	*			cis	120.7	158.8	28	0	0	0	0	0	108.9	M220	M220-G511 VanDerWaalsContact CE-C 3.5Å; M220-G511 WeakPolarHBondContact CE-O 3.39Å
512	G	24.2	Very low	27	Very low	60 Å²	60	109.9 Å²	109.9	62%	0.619	69%	0.691	S	S	*	*			trans	155.3	98.1	179.6	0	0	0	0	0	117
513	H	26.2	Very low	27.2	Very low	75 Å²	75	114.6 Å²	114.6	35%	0.347	69%	0.69	S	S	.	*			trans	-33.9	155.9	135.1	-74.9	6.9	0	0	0	113.8	F217 D219	F217-H513 AromaticContact CD1-CE1 3.82Å; F217-H513 AromaticContact CD1-NE2 3.44Å; F217-H513 WeakPolarHBondContact CD1-NE2 3.43Å; F217-H513 AromaticContact CE1-CE1 3.68Å; F217-H513 AromaticContact CE1-NE2 3.8Å; D219-H513 PolarHBondContact N-NE2 2.98Å; D219-H513 IonicContact OD2-CE1 2.82Å; D219-H513 PolarHBondContact OD2-CE1 3.45Å; D219-H513 IonicContact OD2-ND1 3.55Å; D219-H513 PolarHBondContact OD2-ND1 3.41Å; D219-H513 IonicContact OD2-NE2 3.03Å
514	N	29.8	Very low	27.3	Very low	104 Å²	104	114.9 Å²	114.9	56%	0.556	69%	0.687	S	S	*	*			cis	-161.8	-159.8	1.7	-115.3	-3.3	0	0	0	110.9
515	D	24.9	Very low	26.3	Very low	143 Å²	143	117.8 Å²	117.8	77%	0.765	70%	0.697	S	S	*	*			trans	81.9	104.3	167.7	-66.1	-19.1	0	0	0	115.6
516	S	29.6	Very low	26.3	Very low	98 Å²	98	116.7 Å²	116.7	69%	0.685	70%	0.7	S	S	*	*				86.4	154.6	67.8	80	0	0	0	0	113
517	T	27.2	Very low	26.1	Very low	129 Å²	129	114.8 Å²	114.8	79%	0.791	70%	0.698	S	S	*	*			cis	-120.9	-131.7	3.4	-33	0	0	0	0	110.6
518	E	27	Very low	26	Very low	147 Å²	147	116.4 Å²	116.4	69%	0.687	71%	0.705	S	S	*	*			cis	-158	157	4.7	-148.5	174.8	-179.7	0	0	111.4
519	Q	27.1	Very low	26.2	Very low	157 Å²	157	116 Å²	116	73%	0.734	70%	0.702	S	S	*	*			trans	28.1	129.7	159.1	-69.7	149.8	32.9	0	0	122.1
520	S	28	Very low	26.3	Very low	111 Å²	111	118.8 Å²	118.8	78%	0.776	71%	0.708	S	S	*	*			cis	96	152.7	17.6	-159.5	0	0	0	0	117.9
521	Q	28.8	Very low	26.3	Very low	175 Å²	175	123.2 Å²	123.2	82%	0.818	73%	0.728	S	S	*	*			trans	77.5	119.8	173.7	-59	-174.5	4.6	0	0	116.8
522	S	28.8	Very low	26.4	Very low	98 Å²	98	129.1 Å²	129.1	69%	0.685	74%	0.738	S	S	*	*				99	154.7	51.7	81.4	0	0	0	0	112.3
523	Q	27.8	Very low	26.5	Very low	185 Å²	185	135 Å²	135	86%	0.864	75%	0.749	S	S	*	*			cis	-157.2	-168.1	22.1	-146.7	167.6	21.8	0	0	112.1
524	T	24.1	Very low	26.5	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	77%	0.771	S	S	*	*			trans	-115.9	161.2	-164.4	43.3	0	0	0	0	116.9
525	L	26.1	Very low	26.3	Very low	160 Å²	160	138.4 Å²	138.4	84%	0.838	78%	0.775	S	S	*	*				164.5	141.8	129.2	-91.7	162.6	0	0	0	118
526	S	23.3	Very low	26.3	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	78%	0.779	S	S	*	*			trans	60.5	151.8	159.1	56.6	0	0	0	0	120.3
527	G	22	Very low	26.1	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	78%	0.784	S	S	*	*			cis	120.8	144.8	1.6	0	0	0	0	0	112.9
528	S	22.3	Very low	26.5	Very low	112 Å²	112	142.7 Å²	142.7	78%	0.783	78%	0.78	S	S	*	*			cis	-169.1	-174.7	-3.9	-160.3	0	0	0	0	110.7
529	L	26.8	Very low	26.4	Very low	143 Å²	143	140 Å²	140	75%	0.749	78%	0.783	S	S	*	*			trans	75.4	153.8	173.4	-50.3	147	0	0	0	115
530	E	29.1	Very low	26.2	Very low	155 Å²	155	136.2 Å²	136.2	72%	0.724	79%	0.786	S	S	*	*			cis	-157.7	165.5	-11.9	-106.1	158.1	166.3	0	0	105.5
531	D	23.1	Very low	26	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	79%	0.794	S	S	*	*			cis	-152.1	-177.6	39	-92.5	-50.9	0	0	0	112.1
532	E	28.6	Very low	25.8	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	79%	0.794	S	S	*	*			trans	-106.2	-159.1	-176	-55.7	-166.8	117.2	0	0	115.9
533	E	25.3	Very low	25.7	Very low	183 Å²	183	145 Å²	145	86%	0.855	80%	0.801	S	S	*	*			trans	74.7	143.8	167.1	-70.3	-176.3	177.7	0	0	119.5
534	E	27.1	Very low	25.3	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.804	79%	0.794	S	S	*	*			cis	-163.5	156	-26.4	-142.1	-165	-179.1	0	0	111.6
535	A	25.4	Very low	25.3	Very low	79 Å²	79	144 Å²	144	65%	0.653	79%	0.79	S	S	*	*			trans	63.8	165.7	141.8	0	0	0	0	0	125.6
536	E	25	Very low	25.1	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	78%	0.78	S	S	*	*			trans	76.2	105.6	159.6	-63.5	-90.8	104.2	0	0	121.5
537	E	26.1	Very low	25.1	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.794	77%	0.767	S	S	*	*			trans	-65.5	157	144.5	-142.5	-166.9	-112.8	0	0	109.5
538	P	34.6	Very low	25.1	Very low	108 Å²	108	147.1 Å²	147.1	70%	0.701	77%	0.768	S	S	*	*				-160.9	168.4	92.5	40.9	-21.1	0	0	0	118.8
539	A	24.1	Very low	25.3	Very low	91 Å²	91	150.5 Å²	150.5	75%	0.752	77%	0.771	S	S	*	*			trans	59.4	95	142.4	0	0	0	0	0	120.4
540	G	23.1	Very low	25.1	Very low	77 Å²	77	153.1 Å²	153.1	79%	0.794	78%	0.78	S	S	*	*			trans	-83.8	-167.7	169	0	0	0	0	0	116.1
541	R	24.5	Very low	24.9	Very low	249 Å²	249	152 Å²	152	94%	0.94	78%	0.783	S	S	*	*			trans	-157.3	142.1	168.7	-123.1	174.5	-178.5	175	-0.1	112
542	K	24.1	Very low	25.1	Very low	189 Å²	189	151.7 Å²	151.7	82%	0.822	79%	0.787	S	S	*	*			trans	-68.1	158.9	163.4	-64.7	-173.2	178.2	-174	0	110.3
543	P	27	Very low	25	Very low	130 Å²	130	151.9 Å²	151.9	84%	0.844	79%	0.788	S	S	*	*				-118	178.9	109.8	35.2	-34.6	0	0	0	113.4
544	H	18.9	Very low	25	Very low	151 Å²	151	146.9 Å²	146.9	70%	0.699	79%	0.786	S	S	*	*			trans	-152.6	159	-170.8	164.5	40.3	0	0	0	107
545	M	24.1	Very low	24.9	Very low	136 Å²	136	146.1 Å²	146.1	67%	0.67	79%	0.787	S	S	*	*			trans	84.2	147.2	176.4	-54.9	-160.5	162.4	0	0	115.5
546	K	22.9	Very low	24.9	Very low	146 Å²	146	147.7 Å²	147.7	64%	0.635	79%	0.793	S	S	*	*			cis	-161.2	153.5	-14.4	-114.9	-179.2	164.3	-82.7	0	109.1
547	D	22.3	Very low	24.9	Very low	102 Å²	102	143.8 Å²	143.8	55%	0.545	79%	0.792	S	S	.	*			trans	46	160.1	139.3	-47	-13.4	0	0	0	124.3
548	E	23.6	Very low	24.8	Very low	171 Å²	171	139.1 Å²	139.1	80%	0.799	79%	0.789	S	S	*	*			trans	78	97.2	151.1	-77.1	153.1	-143.3	0	0	119.9
549	E	25.4	Very low	24.3	Very low	184 Å²	184	145.2 Å²	145.2	86%	0.86	80%	0.798	S	S	*	*			trans	3.7	136.4	131.4	-54.7	176.2	154.2	0	0	119
550	E	23.8	Very low	24.2	Very low	198 Å²	198	147 Å²	147	93%	0.925	80%	0.8	S	S	*	*				-164.9	161.3	111.4	-116.8	-176.1	-179.6	0	0	112.5
551	T	24.1	Very low	24.2	Very low	131 Å²	131	149.2 Å²	149.2	80%	0.804	80%	0.803	S	S	*	*			trans	-102.6	142.6	-176.2	51.2	0	0	0	0	113.1
552	V	26.7	Very low	24.2	Very low	147 Å²	147	146 Å²	146	89%	0.891	80%	0.799	S	S	*	*			trans	-139.6	145.3	156.2	-176.3	0	0	0	0	110.4
553	E	26.1	Very low	24.1	Very low	194 Å²	194	143 Å²	143	91%	0.907	80%	0.797	S	S	*	*			trans	-77.4	170.5	-172.7	-55.1	165.6	131.7	0	0	114.5
554	G	25.8	Very low	24	Very low	79 Å²	79	145.1 Å²	145.1	81%	0.814	80%	0.796	S	S	*	*			trans	-169.6	63.2	174.7	0	0	0	0	0	113
555	D	24.8	Very low	24.2	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	80%	0.803	S	S	*	*			trans	-79.8	142.6	-173.8	-175.1	27.4	0	0	0	114.1
556	S	25.6	Very low	24.2	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	81%	0.809	S	S	*	*			trans	-160.5	102.7	165.8	69.5	0	0	0	0	112.1
557	A	25.8	Very low	24.7	Very low	99 Å²	99	147.9 Å²	147.9	82%	0.818	82%	0.819	S	S	*	*			trans	-84	154.6	-178.9	0	0	0	0	0	114.6
558	G	23.8	Very low	24.8	Very low	72 Å²	72	151.3 Å²	151.3	74%	0.742	83%	0.831	S	S	*	*			trans	157.2	107.7	154.5	0	0	0	0	0	119.6
559	R	24.4	Very low	25.3	Very low	237 Å²	237	152.7 Å²	152.7	89%	0.894	84%	0.838	S	S	*	*			trans	68.6	102.2	149.7	-74	-175.2	165.2	-174.3	-5.5	121.8
560	T	22.3	Very low	25.5	Very low	129 Å²	129	151.3 Å²	151.3	79%	0.791	83%	0.831	S	S	*	*				31.1	116.4	111.3	61.1	0	0	0	0	120.5
561	S	23.1	Very low	25.8	Very low	123 Å²	123	151.1 Å²	151.1	86%	0.86	83%	0.827	S	S	*	*				-164.6	153.7	122.3	52.6	0	0	0	0	111
562	E	23.5	Very low	25.9	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	83%	0.828	S	S	*	*			trans	-89.9	167.5	-179.6	-60.2	162.8	124.8	0	0	112.6
563	T	22	Very low	25.9	Very low	128 Å²	128	149 Å²	149	79%	0.785	81%	0.811	S	S	*	*			trans	83.5	149.2	159.4	-8.7	0	0	0	0	119.1
564	E	24.6	Very low	26.3	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.813	80%	0.799	S	S	*	*			trans	65.1	85	165.5	-60.5	-172.4	-166.3	0	0	118.7
565	E	23.2	Very low	26.9	Very low	182 Å²	182	144.5 Å²	144.5	85%	0.85	79%	0.786	S	S	*	*				-131.6	132.8	124.6	-74.9	-157.1	161.1	0	0	109.8
566	T	25.5	Very low	27.9	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	78%	0.781	S	S	*	*			trans	-117.6	152	170.1	-43	0	0	0	0	107.4
567	E	31.8	Very low	29.6	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	77%	0.769	S	S	*	*			trans	65.1	77.4	174.4	-49.6	-166.1	153.9	0	0	116.6
568	Q	25.1	Very low	31.8	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	76%	0.756	S	S	*	*			trans	-145.3	96.8	146.1	-120.6	160.5	111.4	0	0	111.8	E570	Q568-E570 PolarHBondContact O-N 2.86Å
569	Q	34.9	Very low	34.7	Very low	200 Å²	200	141.5 Å²	141.5	94%	0.935	73%	0.729	S	S	*	*			trans	-99.2	69.9	-175.2	-168	-179.3	17.2	0	0	111.2
570	E	28.5	Very low	37.5	Very low	155 Å²	155	135.2 Å²	135.2	72%	0.724	72%	0.719	S	S	*	*			trans	-120.8	111.7	173.7	-74.6	-143.4	100.8	0	0	113.4	Q568 L572	Q568-E570 PolarHBondContact O-N 2.86Å; E570-L572 PolarHBondContact O-N 2.85Å
571	K	31.1	Very low	40.4	Very low	194 Å²	194	129.6 Å²	129.6	84%	0.843	69%	0.686	S	S	*	*			trans	40.3	71.3	149.7	-62.6	174.2	-178.5	160.7	0	117.7
572	L	25.6	Very low	43.5	Very low	156 Å²	156	125.3 Å²	125.3	82%	0.817	65%	0.653	S	S	*	*			trans	-83.9	135.7	147.1	-69.6	172.2	0	0	0	109.5	E570	E570-L572 PolarHBondContact O-N 2.85Å
573	S	26.3	Very low	46.5	Very low	77 Å²	77	118.4 Å²	118.4	54%	0.538	62%	0.62	S	S	.	*			trans	-70	143.5	174.3	31.4	0	0	0	0	111.2	S575	S573-S575 PolarHBondContact O-N 2.95Å
574	P	34.4	Very low	49.5	Very low	100 Å²	100	120.6 Å²	120.6	65%	0.649	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	15	-170.1	30.8	-37.4	0	0	0	115.4
575	S	38	Very low	52.3	Low	79 Å²	79	114 Å²	114	55%	0.552	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-19.8	-169	-47.5	0	0	0	0	114.6	S573 R607	S573-S575 PolarHBondContact O-N 2.95Å; S575-R607 PolarHBondContact O-NH2 3.36Å
576	E	46	Very low	55.3	Low	154 Å²	154	108.6 Å²	108.6	72%	0.72	57%	0.567	S	S	*	*			trans	-103.5	3.7	-160.5	-62.3	-172.1	134.8	0	0	115.5	S578	E576-S578 PolarHBondContact O-N 2.88Å
577	I	61.6	Low	58.2	Low	104 Å²	104	108.9 Å²	108.9	53%	0.533	56%	0.564	S	S	.	*			trans	-80.3	104.6	173.7	-46.7	177.2	0	0	0	109.1	R607 W690	I577-R607 PolarHBondContact O-NH1 3.25Å; I577-W690 PolarHBondContact O-NE1 3.24Å
578	S	73.1	Confident	60.7	Low	78 Å²	78	106.1 Å²	106.1	55%	0.545	55%	0.554	S	S	.	*			trans	-102.5	144.3	170.1	61.3	0	0	0	0	111.5	E576 E582	E576-S578 PolarHBondContact O-N 2.88Å; S578-E582 WeakPolarHBondContact CA-OE2 3.47Å; S578-E582 WeakPolarHBondContact CB-OE2 3.46Å
579	H	84.8	Confident	63.5	Low	38 Å²	38	100.8 Å²	100.8	18%	0.176	53%	0.529	C	S	.	.			trans	-118.4	149.7	-179.9	-171.7	-89.4	0	0	0	111.1	A581 E582 D684 S686 L687 W690	H579-A581 WeakPolarHBondContact ND1-CB 3.42Å; H579-A581 PolarHBondContact ND1-N 2.68Å; H579-A581 PolarHBondContact O-N 3.05Å; H579-A581 VanDerWaalsContact O-N 3.09Å; H579-E582 WeakPolarHBondContact O-CB 3.28Å; H579-E582 PolarHBondContact O-N 3.24Å; H579-D684 IonicContact CE1-OD2 2.91Å; H579-D684 PolarHBondContact CE1-OD2 3.47Å; H579-D684 IonicContact NE2-OD1 3.38Å; H579-D684 IonicContact NE2-OD2 2.7Å; H579-D684 PolarHBondContact NE2-OD2 3.31Å; H579-S686 VanDerWaalsContact NE2-C 3.3Å; H579-S686 WeakPolarHBondContact NE2-CB 3.3Å; H579-S686 PolarHBondContact NE2-OG 2.88Å; H579-L687 WeakPolarHBondContact CE1-CB 3.35Å; H579-L687 PolarHBondContact NE2-N 2.96Å; H579-W690 HydrophobicContact CB-CB 4.49Å; H579-W690 HydrophobicContact CB-CD2 3.34Å; H579-W690 HydrophobicContact CB-CE3 3.44Å; H579-W690 VanDerWaalsContact CB-CE3 3.44Å; H579-W690 HydrophobicContact CB-CG 3.82Å; H579-W690 HydrophobicContact CB-CH2 4.05Å; H579-W690 HydrophobicContact CB-CZ2 3.95Å; H579-W690 HydrophobicContact CB-CZ3 3.78Å; H579-W690 AromaticContact CG-CE3 3.97Å
580	P	81.7	Confident	66	Low	105 Å²	105	93.7 Å²	93.7	68%	0.682	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.8	176.9	-29.4	36.8	0	0	0	115	E582 R610	P580-E582 VanDerWaalsContact C-N 3.28Å; P580-E582 PolarHBondContact O-N 3.3Å; P580-R610 PolarHBondContact O-NH2 3Å
581	A	83.6	Confident	68.6	Low	11 Å²	11	91.2 Å²	91.2	9%	0.091	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.7	176.1	0	0	0	0	0	114.1	H579 F583 R610 L687	H579-A581 WeakPolarHBondContact ND1-CB 3.42Å; H579-A581 PolarHBondContact ND1-N 2.68Å; H579-A581 PolarHBondContact O-N 3.05Å; H579-A581 VanDerWaalsContact O-N 3.09Å; A581-F583 PolarHBondContact O-N 2.87Å; A581-R610 WeakPolarHBondContact O-CB 3.4Å; A581-R610 PolarHBondContact O-N 3.12Å; A581-R610 VanDerWaalsContact O-N 3.13Å; A581-R610 PolarHBondContact O-NE 2.92Å; A581-R610 VanDerWaalsContact O-NE 3.11Å; A581-L687 HydrophobicContact CB-CD1 3.64Å; A581-L687 HydrophobicContact CB-CD2 4Å; A581-L687 HydrophobicContact CB-CG 4.42Å
582	E	88.6	Confident	71.1	Confident	34 Å²	34	84.4 Å²	84.4	16%	0.159	46%	0.461	C	S	.	.	B	Isolated β-bridge	trans	-58.6	131.3	-179.6	-170.8	167	-164	0	0	111.9	S578 H579 P580 R607 W690	S578-E582 WeakPolarHBondContact CA-OE2 3.47Å; S578-E582 WeakPolarHBondContact CB-OE2 3.46Å; H579-E582 WeakPolarHBondContact O-CB 3.28Å; H579-E582 PolarHBondContact O-N 3.24Å; P580-E582 VanDerWaalsContact C-N 3.28Å; P580-E582 PolarHBondContact O-N 3.3Å; E582-R607 VanDerWaalsContact CD-NH1 3.34Å; E582-R607 WeakPolarHBondContact OE1-CD 3.33Å; E582-R607 IonicContact OE1-CZ 2.87Å; E582-R607 IonicContact OE1-NE 2.74Å; E582-R607 IonicContact OE1-NH1 3.9Å; E582-R607 PolarHBondContact OE1-NH1 3.3Å; E582-R607 IonicContact OE2-NH1 3.77Å; E582-R607 PolarHBondContact OE2-NH1 2.94Å; E582-W690 HydrophobicContact CB-CH2 3.65Å; E582-W690 HydrophobicContact CB-CZ2 4.25Å; E582-W690 HydrophobicContact CB-CZ3 4.44Å; E582-W690 HydrophobicContact CG-CH2 3.93Å; E582-W690 HydrophobicContact CG-CZ2 4.39Å
583	F	85.4	Confident	74.1	Confident	35 Å²	35	77 Å²	77	15%	0.154	42%	0.422	C	S	.	.			trans	-99.2	111.2	172.1	-174.5	-89.3	0	0	0	109.1	A581 V585 M608 R610 Y624	A581-F583 PolarHBondContact O-N 2.87Å; F583-V585 HydrophobicContact CD1-CG2 3.93Å; F583-V585 HydrophobicContact CE1-CG2 4.34Å; F583-V585 PolarHBondContact O-N 2.82Å; F583-M608 HydrophobicContact CB-CB 4.15Å; F583-M608 HydrophobicContact CB-CG 4.08Å; F583-M608 HydrophobicContact CD1-CB 4.38Å; F583-M608 HydrophobicContact CD1-CE 4.46Å; F583-M608 HydrophobicContact CD1-CG 4.14Å; F583-M608 HydrophobicContact CD1-SD 3.48Å; F583-M608 WeakPolarHBondContact CD1-SD 3.34Å; F583-M608 HydrophobicContact CE1-SD 4.02Å; F583-M608 HydrophobicContact CG-CG 4.45Å; F583-M608 HydrophobicContact CG-SD 4.24Å; F583-M608 PolarHBondContact N-O 3.47Å; F583-R610 HydrophobicContact CB-CG 4.34Å; F583-Y624 HydrophobicContact CD2-CD1 4.42Å; F583-Y624 AromaticContact CD2-CE1 3.86Å; F583-Y624 HydrophobicContact CD2-CE1 3.86Å; F583-Y624 HydrophobicContact CE2-CE1 4.17Å; F583-Y624 HydrophobicContact CG-CD1 4.46Å; F583-Y624 HydrophobicContact CG-CE1 4.34Å
584	K	85.3	Confident	76.9	Confident	173 Å²	173	77.7 Å²	77.7	75%	0.752	42%	0.418	S	S	*	.			trans	-75.7	97.9	179	-66.4	-171.7	178	-175.6	0	110.1	D586	K584-D586 PolarHBondContact O-N 3.2Å
585	V	84.6	Confident	79.2	Confident	36 Å²	36	78.3 Å²	78.3	22%	0.218	42%	0.415	C	S	.	.			trans	-67.3	119.3	174.5	-178.7	0	0	0	0	109.4	F583 H589 L590 L593 L605 M608	F583-V585 HydrophobicContact CD1-CG2 3.93Å; F583-V585 HydrophobicContact CE1-CG2 4.34Å; F583-V585 PolarHBondContact O-N 2.82Å; V585-H589 HydrophobicContact CG1-CB 3.73Å; V585-L590 HydrophobicContact CG1-CB 3.92Å; V585-L593 HydrophobicContact CG1-CD1 4.08Å; V585-L593 HydrophobicContact CG2-CD1 4.31Å; V585-L605 HydrophobicContact CB-CD2 3.78Å; V585-L605 HydrophobicContact CG1-CD2 3.77Å; V585-L605 HydrophobicContact CG2-CD2 3.86Å; V585-M608 HydrophobicContact CG2-CB 3.65Å; V585-M608 HydrophobicContact CG2-CG 4.28Å; V585-M608 HydrophobicContact CG2-SD 3.57Å; V585-M608 VanDerWaalsContact CG2-SD 3.57Å
586	D	85.6	Confident	81.3	Confident	69 Å²	69	78.1 Å²	78.1	37%	0.369	41%	0.405	S	S	.	.			trans	-83.4	171.3	169.3	76.2	26.4	0	0	0	111.7	K584 N588 H589 L590	K584-D586 PolarHBondContact O-N 3.2Å; D586-N588 PolarHBondContact O-N 2.99Å; D586-N588 VanDerWaalsContact O-N 3.14Å; D586-N588 WeakPolarHBondContact OD1-CA 3.39Å; D586-N588 VanDerWaalsContact OD1-CB 3.29Å; D586-N588 WeakPolarHBondContact OD1-CB 3.22Å; D586-N588 PolarHBondContact OD1-N 2.8Å; D586-N588 PolarHBondContact OD1-ND2 3.24Å; D586-H589 PolarHBondContact O-N 3.37Å; D586-H589 VanDerWaalsContact O-N 3.14Å; D586-H589 IonicContact OD1-CE1 2.69Å; D586-H589 IonicContact OD1-CG 3.31Å; D586-H589 PolarHBondContact OD1-N 2.93Å; D586-H589 IonicContact OD1-ND1 3.72Å; D586-H589 PolarHBondContact OD1-ND1 2.76Å; D586-H589 IonicContact OD2-CE1 3.64Å; D586-H589 IonicContact OD2-ND1 3.96Å; D586-H589 PolarHBondContact OD2-ND1 2.78Å; D586-L590 WeakPolarHBondContact O-CB 3.44Å; D586-L590 PolarHBondContact O-N 3.05Å
587	N	86.8	Confident	83.2	Confident	137 Å²	137	71 Å²	71	73%	0.733	37%	0.372	S	S	*	.	H	α-helix	trans	-59.6	-26.3	-177.9	-65.6	-17.6	0	0	0	114.1	L591	N587-L591 WeakPolarHBondContact O-CB 3.4Å; N587-L591 PolarHBondContact O-N 3.22Å; N587-L591 VanDerWaalsContact O-N 3.15Å
588	N	84.4	Confident	84.6	Confident	119 Å²	119	67.4 Å²	67.4	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-77.9	-43.4	177.4	-49.1	-66.6	0	0	0	110.3	D586 L590 L591 L592	D586-N588 PolarHBondContact O-N 2.99Å; D586-N588 VanDerWaalsContact O-N 3.14Å; D586-N588 WeakPolarHBondContact OD1-CA 3.39Å; D586-N588 VanDerWaalsContact OD1-CB 3.29Å; D586-N588 WeakPolarHBondContact OD1-CB 3.22Å; D586-N588 PolarHBondContact OD1-N 2.8Å; D586-N588 PolarHBondContact OD1-ND2 3.24Å; N588-L590 VanDerWaalsContact C-N 3.31Å; N588-L591 PolarHBondContact O-N 2.87Å; N588-L592 WeakPolarHBondContact O-CB 3.17Å; N588-L592 PolarHBondContact O-N 3.12Å
589	H	83.8	Confident	85.3	Confident	62 Å²	62	70.6 Å²	70.6	29%	0.287	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-35.8	173.9	-67.2	79.5	0	0	0	111.2	V585 D586 L592 L593	V585-H589 HydrophobicContact CG1-CB 3.73Å; D586-H589 PolarHBondContact O-N 3.37Å; D586-H589 VanDerWaalsContact O-N 3.14Å; D586-H589 IonicContact OD1-CE1 2.69Å; D586-H589 IonicContact OD1-CG 3.31Å; D586-H589 PolarHBondContact OD1-N 2.93Å; D586-H589 IonicContact OD1-ND1 3.72Å; D586-H589 PolarHBondContact OD1-ND1 2.76Å; D586-H589 IonicContact OD2-CE1 3.64Å; D586-H589 IonicContact OD2-ND1 3.96Å; D586-H589 PolarHBondContact OD2-ND1 2.78Å; H589-L592 WeakPolarHBondContact O-CB 3.25Å; H589-L592 PolarHBondContact O-N 3.49Å; H589-L593 WeakPolarHBondContact O-CB 3.49Å; H589-L593 WeakPolarHBondContact O-CG 3Å; H589-L593 PolarHBondContact O-N 3.49Å
590	L	86.2	Confident	85.2	Confident	52 Å²	52	73.6 Å²	73.6	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-52	173.5	177.1	58.8	0	0	0	111.1	V585 D586 N588 L592 L593 M594 L605	V585-L590 HydrophobicContact CG1-CB 3.92Å; D586-L590 WeakPolarHBondContact O-CB 3.44Å; D586-L590 PolarHBondContact O-N 3.05Å; N588-L590 VanDerWaalsContact C-N 3.31Å; L590-L592 VanDerWaalsContact C-N 3.25Å; L590-L592 PolarHBondContact O-N 3.45Å; L590-L593 PolarHBondContact O-N 3Å; L590-L593 VanDerWaalsContact O-N 3.13Å; L590-M594 HydrophobicContact CD1-CG 4.26Å; L590-M594 HydrophobicContact CD1-SD 4.33Å; L590-M594 HydrophobicContact CG-SD 4.13Å; L590-M594 VanDerWaalsContact O-CG 3.31Å; L590-M594 WeakPolarHBondContact O-CG 3.35Å; L590-M594 PolarHBondContact O-N 3.12Å; L590-L605 HydrophobicContact CD1-CB 3.8Å; L590-L605 HydrophobicContact CD1-CD2 3.92Å
591	L	83.9	Confident	84.9	Confident	102 Å²	102	76.8 Å²	76.8	53%	0.534	38%	0.378	S	S	.	.	H	α-helix	trans	-57.1	-40.8	176.9	179.9	63.1	0	0	0	112	N587 N588 M594 I595	N587-L591 WeakPolarHBondContact O-CB 3.4Å; N587-L591 PolarHBondContact O-N 3.22Å; N587-L591 VanDerWaalsContact O-N 3.15Å; N588-L591 PolarHBondContact O-N 2.87Å; L591-M594 PolarHBondContact O-N 3.3Å; L591-I595 HydrophobicContact CD1-CD1 3.95Å; L591-I595 HydrophobicContact CD1-CG1 4.44Å; L591-I595 HydrophobicContact CG-CD1 3.89Å; L591-I595 WeakPolarHBondContact O-CD1 3Å; L591-I595 VanDerWaalsContact O-CG1 3.24Å; L591-I595 WeakPolarHBondContact O-CG1 3.48Å; L591-I595 PolarHBondContact O-N 3.16Å
592	L	84.5	Confident	84.8	Confident	51 Å²	51	84.4 Å²	84.4	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-39	177.5	-175.1	71.5	0	0	0	112.7	N588 H589 L590 H596 P643 Y644	N588-L592 WeakPolarHBondContact O-CB 3.17Å; N588-L592 PolarHBondContact O-N 3.12Å; H589-L592 WeakPolarHBondContact O-CB 3.25Å; H589-L592 PolarHBondContact O-N 3.49Å; L590-L592 VanDerWaalsContact C-N 3.25Å; L590-L592 PolarHBondContact O-N 3.45Å; L592-H596 WeakPolarHBondContact O-CB 3.49Å; L592-H596 PolarHBondContact O-CD2 3.19Å; L592-H596 PolarHBondContact O-N 3.02Å; L592-H596 VanDerWaalsContact O-N 3.12Å; L592-P643 HydrophobicContact CD1-CG 3.73Å; L592-P643 HydrophobicContact CD2-CB 4.48Å; L592-P643 HydrophobicContact CD2-CG 3.58Å; L592-P643 HydrophobicContact CG-CG 3.85Å; L592-Y644 HydrophobicContact CD2-CE2 4.41Å
593	L	87.6	Confident	84.7	Confident	0 Å²	0	83 Å²	83	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-39.9	173.2	-68.8	167.7	0	0	0	111.6	V585 H589 L590 I595 H596 V597 F598 M608 L626 L635 Y644	V585-L593 HydrophobicContact CG1-CD1 4.08Å; V585-L593 HydrophobicContact CG2-CD1 4.31Å; H589-L593 WeakPolarHBondContact O-CB 3.49Å; H589-L593 WeakPolarHBondContact O-CG 3Å; H589-L593 PolarHBondContact O-N 3.49Å; L590-L593 PolarHBondContact O-N 3Å; L590-L593 VanDerWaalsContact O-N 3.13Å; L593-I595 VanDerWaalsContact C-N 3.25Å; L593-I595 PolarHBondContact O-N 2.88Å; L593-H596 PolarHBondContact O-N 3.26Å; L593-V597 HydrophobicContact CD2-CB 4.08Å; L593-V597 HydrophobicContact CD2-CG1 4.49Å; L593-V597 HydrophobicContact CD2-CG2 3.69Å; L593-V597 WeakPolarHBondContact O-CA 3.43Å; L593-V597 WeakPolarHBondContact O-CB 3.4Å; L593-V597 PolarHBondContact O-N 2.98Å; L593-F598 HydrophobicContact CB-CE1 4.49Å; L593-F598 PolarHBondContact O-N 3.17Å; L593-M608 HydrophobicContact CD1-SD 4.18Å; L593-L626 HydrophobicContact CD1-CD1 3.95Å; L593-L626 HydrophobicContact CD1-CD2 4.13Å; L593-L626 HydrophobicContact CD2-CD2 4.1Å; L593-L626 HydrophobicContact CG-CD2 4.5Å; L593-L635 HydrophobicContact CD2-CD1 3.93Å; L593-Y644 HydrophobicContact CD2-CD2 3.7Å; L593-Y644 HydrophobicContact CD2-CE2 4.08Å; L593-Y644 HydrophobicContact CD2-CG 4.26Å
594	M	85.8	Confident	84.8	Confident	93 Å²	93	86.5 Å²	86.5	46%	0.458	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-30.7	174.4	-68	175.7	79.2	0	0	112.9	L590 L591 F598	L590-M594 HydrophobicContact CD1-CG 4.26Å; L590-M594 HydrophobicContact CD1-SD 4.33Å; L590-M594 HydrophobicContact CG-SD 4.13Å; L590-M594 VanDerWaalsContact O-CG 3.31Å; L590-M594 WeakPolarHBondContact O-CG 3.35Å; L590-M594 PolarHBondContact O-N 3.12Å; L591-M594 PolarHBondContact O-N 3.3Å; M594-F598 HydrophobicContact CB-CD2 4.19Å; M594-F598 HydrophobicContact CG-CD2 3.67Å; M594-F598 HydrophobicContact CG-CE2 3.62Å; M594-F598 HydrophobicContact CG-CZ 4.5Å
595	I	82.7	Confident	85	Confident	113 Å²	113	80.5 Å²	80.5	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-86.6	-31.9	-179.7	-66.1	165.7	0	0	0	112.7	L591 L593	L591-I595 HydrophobicContact CD1-CD1 3.95Å; L591-I595 HydrophobicContact CD1-CG1 4.44Å; L591-I595 HydrophobicContact CG-CD1 3.89Å; L591-I595 WeakPolarHBondContact O-CD1 3Å; L591-I595 VanDerWaalsContact O-CG1 3.24Å; L591-I595 WeakPolarHBondContact O-CG1 3.48Å; L591-I595 PolarHBondContact O-N 3.16Å; L593-I595 VanDerWaalsContact C-N 3.25Å; L593-I595 PolarHBondContact O-N 2.88Å
596	H	82.3	Confident	85.2	Confident	74 Å²	74	81.1 Å²	81.1	34%	0.343	40%	0.398	S	S	.	.	H	α-helix	trans	-119.3	-14.7	-169.5	-60.4	-53.1	0	0	0	116.3	L592 L593	L592-H596 WeakPolarHBondContact O-CB 3.49Å; L592-H596 PolarHBondContact O-CD2 3.19Å; L592-H596 PolarHBondContact O-N 3.02Å; L592-H596 VanDerWaalsContact O-N 3.12Å; L593-H596 PolarHBondContact O-N 3.26Å
597	V	85.8	Confident	85.5	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.03	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-47.4	-173.3	170.7	0	0	0	0	112.5	L593 L626 Y633 L635 V646	L593-V597 HydrophobicContact CD2-CB 4.08Å; L593-V597 HydrophobicContact CD2-CG1 4.49Å; L593-V597 HydrophobicContact CD2-CG2 3.69Å; L593-V597 WeakPolarHBondContact O-CA 3.43Å; L593-V597 WeakPolarHBondContact O-CB 3.4Å; L593-V597 PolarHBondContact O-N 2.98Å; V597-L626 HydrophobicContact CG1-CD2 3.91Å; V597-Y633 HydrophobicContact CG1-CD1 3.77Å; V597-Y633 HydrophobicContact CG1-CD2 4.16Å; V597-Y633 HydrophobicContact CG1-CE1 4.12Å; V597-Y633 HydrophobicContact CG1-CE2 4.47Å; V597-Y633 HydrophobicContact CG1-CG 3.81Å; V597-Y633 WeakPolarHBondContact O-CE1 3.4Å; V597-L635 HydrophobicContact CB-CD2 4.49Å; V597-L635 HydrophobicContact CG1-CD1 4.16Å; V597-L635 HydrophobicContact CG1-CD2 3.73Å; V597-L635 HydrophobicContact CG2-CD1 4.18Å; V597-L635 HydrophobicContact CG2-CD2 3.91Å; V597-V646 HydrophobicContact CB-CG2 4.26Å; V597-V646 HydrophobicContact CG1-CG2 4.1Å; V597-V646 HydrophobicContact CG2-CG2 4.02Å
598	F	90.6	Very high	85.7	Confident	29 Å²	29	73.1 Å²	73.1	13%	0.127	35%	0.352	C	S	.	.			trans	-60.5	145.2	-178.1	-74.1	6.2	0	0	0	111.6	L593 M594 E603 L605 L626 T628	L593-F598 HydrophobicContact CB-CE1 4.49Å; L593-F598 PolarHBondContact O-N 3.17Å; M594-F598 HydrophobicContact CB-CD2 4.19Å; M594-F598 HydrophobicContact CG-CD2 3.67Å; M594-F598 HydrophobicContact CG-CE2 3.62Å; M594-F598 HydrophobicContact CG-CZ 4.5Å; F598-E603 WeakPolarHBondContact CA-OE2 3.49Å; F598-E603 WeakPolarHBondContact CB-OE2 3.45Å; F598-E603 HydrophobicContact CD1-CG 4.4Å; F598-E603 HydrophobicContact CD2-CB 3.92Å; F598-E603 HydrophobicContact CD2-CG 4.05Å; F598-E603 HydrophobicContact CE2-CB 4.37Å; F598-E603 HydrophobicContact CE2-CG 4.29Å; F598-E603 WeakPolarHBondContact CE2-O 3.29Å; F598-E603 HydrophobicContact CG-CB 4.29Å; F598-E603 HydrophobicContact CG-CG 4.12Å; F598-L605 HydrophobicContact CZ-CB 4.09Å; F598-L626 HydrophobicContact CD1-CD2 4.4Å; F598-L626 HydrophobicContact CE1-CD2 3.8Å; F598-T628 HydrophobicContact CD1-CG2 4.1Å; F598-T628 HydrophobicContact CE1-CG2 3.45Å; F598-T628 VanDerWaalsContact CE1-CG2 3.45Å; F598-T628 HydrophobicContact CZ-CG2 3.85Å
599	R	86.6	Confident	86	Confident	145 Å²	145	67.4 Å²	67.4	55%	0.547	32%	0.322	S	S	.	.	S	Bend	trans	-104.5	-22.6	-177.6	-73	179.6	172.5	-166.7	1.7	112.7	E603 Y633 A649	R599-E603 PolarHBondContact N-OE2 3.09Å; R599-Y633 HydrophobicContact CG-CE1 4.06Å; R599-Y633 PolarHBondContact N-OH 3.29Å; R599-A649 VanDerWaalsContact CZ-CB 3.5Å
600	E	83.1	Confident	86.3	Confident	101 Å²	101	68.3 Å²	68.3	47%	0.472	32%	0.323	S	S	.	.	S	Bend	trans	-126.1	140.8	-177	-59.1	-167.3	-136.9	0	0	111.2	E602 E603 Y631	E600-E602 PolarHBondContact O-N 2.86Å; E600-E602 VanDerWaalsContact O-N 3.16Å; E600-E603 HydrophobicContact CB-CB 4.39Å; E600-E603 PolarHBondContact N-OE2 3.14Å; E600-E603 WeakPolarHBondContact O-CB 3.44Å; E600-E603 PolarHBondContact O-N 2.92Å; E600-Y631 HydrophobicContact CG-CE2 4.42Å; E600-Y631 WeakPolarHBondContact OE1-CE2 3.18Å; E600-Y631 PolarHBondContact OE1-OH 3.44Å
601	N	74.9	Confident	86.5	Confident	171 Å²	171	66 Å²	66	91%	0.914	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.5	-167.3	-68.5	-25.5	0	0	0	114.7
602	E	82	Confident	86.7	Confident	171 Å²	171	61.7 Å²	61.7	80%	0.799	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	3.9	-179.9	-59.8	-172.1	169	0	0	112.3	E600 Q604	E600-E602 PolarHBondContact O-N 2.86Å; E600-E602 VanDerWaalsContact O-N 3.16Å; E602-Q604 PolarHBondContact O-NE2 2.89Å
603	E	87.8	Confident	87	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.028	28%	0.282	C	S	.	.			trans	-59.2	133.2	-178.5	-175.8	167.3	-161.4	0	0	112.2	F598 R599 E600 T628 Y631 Y633	F598-E603 WeakPolarHBondContact CA-OE2 3.49Å; F598-E603 WeakPolarHBondContact CB-OE2 3.45Å; F598-E603 HydrophobicContact CD1-CG 4.4Å; F598-E603 HydrophobicContact CD2-CB 3.92Å; F598-E603 HydrophobicContact CD2-CG 4.05Å; F598-E603 HydrophobicContact CE2-CB 4.37Å; F598-E603 HydrophobicContact CE2-CG 4.29Å; F598-E603 WeakPolarHBondContact CE2-O 3.29Å; F598-E603 HydrophobicContact CG-CB 4.29Å; F598-E603 HydrophobicContact CG-CG 4.12Å; R599-E603 PolarHBondContact N-OE2 3.09Å; E600-E603 HydrophobicContact CB-CB 4.39Å; E600-E603 PolarHBondContact N-OE2 3.14Å; E600-E603 WeakPolarHBondContact O-CB 3.44Å; E600-E603 PolarHBondContact O-N 2.92Å; E603-T628 HydrophobicContact CG-CG2 3.81Å; E603-T628 WeakPolarHBondContact OE1-CB 3.39Å; E603-T628 WeakPolarHBondContact OE1-CG2 3.44Å; E603-T628 PolarHBondContact OE1-OG1 2.77Å; E603-Y631 WeakPolarHBondContact OE1-CD2 3.11Å; E603-Y633 VanDerWaalsContact CD-OH 3.22Å; E603-Y633 WeakPolarHBondContact OE1-CE2 3.43Å; E603-Y633 PolarHBondContact OE1-OH 3.32Å; E603-Y633 PolarHBondContact OE2-OH 2.62Å
604	Q	86.1	Confident	86.8	Confident	108 Å²	108	61 Å²	61	51%	0.505	29%	0.291	S	S	.	.			trans	-110.2	133.4	-175.4	-60.4	-56.1	-57.7	0	0	112	E602 F606 T628 D629	E602-Q604 PolarHBondContact O-NE2 2.89Å; Q604-F606 PolarHBondContact O-N 2.68Å; Q604-T628 CarbonylContact O-C 3.4Å; Q604-T628 WeakPolarHBondContact O-CA 3.28Å; Q604-T628 WeakPolarHBondContact O-CB 3.48Å; Q604-D629 HydrophobicContact CB-CB 4.5Å; Q604-D629 WeakPolarHBondContact CB-OD2 3.2Å; Q604-D629 PolarHBondContact N-OD1 3.24Å; Q604-D629 PolarHBondContact N-OD2 3.33Å; Q604-D629 PolarHBondContact O-N 2.9Å; Q604-D629 VanDerWaalsContact O-N 3.11Å
605	L	90.2	Very high	86.9	Confident	46 Å²	46	56.8 Å²	56.8	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.4	171	179.5	60.5	0	0	0	110.6	V585 L590 F598 L626	V585-L605 HydrophobicContact CB-CD2 3.78Å; V585-L605 HydrophobicContact CG1-CD2 3.77Å; V585-L605 HydrophobicContact CG2-CD2 3.86Å; L590-L605 HydrophobicContact CD1-CB 3.8Å; L590-L605 HydrophobicContact CD1-CD2 3.92Å; F598-L605 HydrophobicContact CZ-CB 4.09Å; L605-L626 HydrophobicContact CD1-CD1 3.48Å; L605-L626 VanDerWaalsContact CD1-CD1 3.48Å; L605-L626 HydrophobicContact CD1-CD2 4.45Å; L605-L626 HydrophobicContact CD1-CG 3.89Å
606	F	89.1	Confident	87	Confident	50 Å²	50	51.4 Å²	51.4	22%	0.219	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-66.1	166.1	-169.4	-106.7	0	0	0	111.2	Q604 L627 V694 A698	Q604-F606 PolarHBondContact O-N 2.68Å; F606-L627 WeakPolarHBondContact CA-O 3.16Å; F606-L627 HydrophobicContact CB-CB 4.37Å; F606-L627 WeakPolarHBondContact CB-O 3.48Å; F606-L627 PolarHBondContact N-O 3.11Å; F606-V694 HydrophobicContact CD1-CG1 3.92Å; F606-V694 HydrophobicContact CE1-CG1 3.67Å; F606-V694 VanDerWaalsContact CE1-O 3.27Å; F606-V694 WeakPolarHBondContact CE1-O 3.42Å; F606-A698 HydrophobicContact CB-CB 4.13Å; F606-A698 HydrophobicContact CD1-CB 3.57Å; F606-A698 HydrophobicContact CD2-CB 4.41Å; F606-A698 HydrophobicContact CE1-CB 4.02Å; F606-A698 HydrophobicContact CG-CB 3.78Å
607	R	91.1	Very high	87	Confident	36 Å²	36	52.3 Å²	52.3	14%	0.136	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.5	176	-68.2	-165	-165.7	-125.5	5.5	112.4	S575 I577 E582 L609 L627 V694	S575-R607 PolarHBondContact O-NH2 3.36Å; I577-R607 PolarHBondContact O-NH1 3.25Å; E582-R607 VanDerWaalsContact CD-NH1 3.34Å; E582-R607 WeakPolarHBondContact OE1-CD 3.33Å; E582-R607 IonicContact OE1-CZ 2.87Å; E582-R607 IonicContact OE1-NE 2.74Å; E582-R607 IonicContact OE1-NH1 3.9Å; E582-R607 PolarHBondContact OE1-NH1 3.3Å; E582-R607 IonicContact OE2-NH1 3.77Å; E582-R607 PolarHBondContact OE2-NH1 2.94Å; R607-L609 HydrophobicContact CB-CD1 4.29Å; R607-L627 PolarHBondContact N-O 3.34Å; R607-L627 PolarHBondContact O-N 3.01Å; R607-V694 HydrophobicContact CB-CG1 4.19Å; R607-V694 HydrophobicContact CG-CG1 4.25Å
608	M	91.1	Very high	86.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.8	171.2	-166.1	169	-173.3	0	0	109.6	F583 V585 L593 Y624 L626 L635 Y644	F583-M608 HydrophobicContact CB-CB 4.15Å; F583-M608 HydrophobicContact CB-CG 4.08Å; F583-M608 HydrophobicContact CD1-CB 4.38Å; F583-M608 HydrophobicContact CD1-CE 4.46Å; F583-M608 HydrophobicContact CD1-CG 4.14Å; F583-M608 HydrophobicContact CD1-SD 3.48Å; F583-M608 WeakPolarHBondContact CD1-SD 3.34Å; F583-M608 HydrophobicContact CE1-SD 4.02Å; F583-M608 HydrophobicContact CG-CG 4.45Å; F583-M608 HydrophobicContact CG-SD 4.24Å; F583-M608 PolarHBondContact N-O 3.47Å; V585-M608 HydrophobicContact CG2-CB 3.65Å; V585-M608 HydrophobicContact CG2-CG 4.28Å; V585-M608 HydrophobicContact CG2-SD 3.57Å; V585-M608 VanDerWaalsContact CG2-SD 3.57Å; L593-M608 HydrophobicContact CD1-SD 4.18Å; M608-Y624 HydrophobicContact CE-CD1 3.8Å; M608-Y624 HydrophobicContact CE-CG 3.86Å; M608-L626 HydrophobicContact CB-CD1 3.6Å; M608-L626 HydrophobicContact CE-CD1 4.48Å; M608-L626 HydrophobicContact CG-CD1 3.54Å; M608-L626 HydrophobicContact SD-CD1 3.77Å; M608-L635 HydrophobicContact CE-CD1 4.15Å; M608-Y644 HydrophobicContact CE-CD1 4.2Å; M608-Y644 HydrophobicContact CE-CE1 3.59Å; M608-Y644 HydrophobicContact CE-CE2 4.45Å
609	L	91.6	Very high	86.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	152.9	-176.4	-65.9	85.5	0	0	0	110.6	R607 M611 Y624 L625 L627 W690 F691	R607-L609 HydrophobicContact CB-CD1 4.29Å; L609-M611 HydrophobicContact CB-CG 4.46Å; L609-Y624 CarbonylContact O-C 3.54Å; L609-Y624 VanDerWaalsContact O-CA 3.32Å; L609-Y624 WeakPolarHBondContact O-CA 3.23Å; L609-L625 HydrophobicContact CD1-CD2 4.33Å; L609-L625 PolarHBondContact N-O 3.01Å; L609-L625 PolarHBondContact O-N 2.85Å; L609-L627 HydrophobicContact CD1-CD1 3.84Å; L609-L627 HydrophobicContact CD1-CG 4.22Å; L609-W690 HydrophobicContact CD2-CE3 3.89Å; L609-W690 HydrophobicContact CD2-CH2 4.27Å; L609-W690 HydrophobicContact CD2-CZ3 3.41Å; L609-W690 VanDerWaalsContact CD2-CZ3 3.41Å; L609-W690 HydrophobicContact CG-CH2 4.14Å; L609-W690 HydrophobicContact CG-CZ3 3.67Å; L609-F691 HydrophobicContact CD2-CB 4.04Å; L609-F691 HydrophobicContact CD2-CD2 3.66Å; L609-F691 HydrophobicContact CD2-CG 4.28Å
610	R	89.6	Confident	86	Confident	81 Å²	81	52.7 Å²	52.7	31%	0.306	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.5	170.2	-67.3	178.8	-71.2	167.8	-1.6	109.6	P580 A581 F583 Y624 W999	P580-R610 PolarHBondContact O-NH2 3Å; A581-R610 WeakPolarHBondContact O-CB 3.4Å; A581-R610 PolarHBondContact O-N 3.12Å; A581-R610 VanDerWaalsContact O-N 3.13Å; A581-R610 PolarHBondContact O-NE 2.92Å; A581-R610 VanDerWaalsContact O-NE 3.11Å; F583-R610 HydrophobicContact CB-CG 4.34Å; R610-Y624 HydrophobicContact CG-CD1 3.95Å; R610-Y624 HydrophobicContact CG-CE1 3.9Å; R610-W999 HydrophobicContact CB-CE3 4.27Å; R610-W999 HydrophobicContact CB-CH2 3.89Å; R610-W999 HydrophobicContact CB-CZ3 3.67Å; R610-W999 HydrophobicContact CG-CE3 4.35Å; R610-W999 HydrophobicContact CG-CZ3 4.1Å
611	M	90.1	Very high	86.1	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	170.1	-177.5	-56.6	-179.1	84.4	0	0	109.6	L609 L623 L625 L680 T682 W999	L609-M611 HydrophobicContact CB-CG 4.46Å; M611-L623 PolarHBondContact N-O 2.83Å; M611-L623 CarbonylContact O-C 3.5Å; M611-L623 WeakPolarHBondContact O-CA 3.28Å; M611-L623 WeakPolarHBondContact O-CB 3.32Å; M611-L623 PolarHBondContact O-N 3.18Å; M611-L625 HydrophobicContact SD-CB 3.96Å; M611-L625 HydrophobicContact SD-CD1 3.87Å; M611-L625 HydrophobicContact SD-CG 4.36Å; M611-L680 HydrophobicContact CE-CB 3.84Å; M611-L680 HydrophobicContact CE-CD1 4.05Å; M611-L680 HydrophobicContact SD-CD1 4.23Å; M611-T682 HydrophobicContact CE-CG2 3.46Å; M611-T682 VanDerWaalsContact CE-CG2 3.46Å; M611-W999 VanDerWaalsContact O-CH2 3.28Å; M611-W999 WeakPolarHBondContact O-CH2 3.49Å
612	S	89.2	Confident	86.6	Confident	12 Å²	12	45.7 Å²	45.7	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	166	178.4	26.6	0	0	0	0	112.6	L620 D681	S612-L620 VanDerWaalsContact CB-CD1 3.48Å; S612-D681 PolarHBondContact N-O 2.85Å; S612-D681 PolarHBondContact O-N 3.43Å; S612-D681 PolarHBondContact OG-O 2.9Å
613	T	90.1	Very high	87	Confident	17 Å²	17	37.6 Å²	37.6	10%	0.104	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.7	168	58.9	0	0	0	0	109.5	Q621 L623 R636 D681	T613-Q621 PolarHBondContact N-O 2.77Å; T613-Q621 PolarHBondContact O-N 3.4Å; T613-Q621 PolarHBondContact OG1-O 2.8Å; T613-L623 HydrophobicContact CG2-CB 4.4Å; T613-L623 HydrophobicContact CG2-CD2 3.96Å; T613-R636 PolarHBondContact OG1-NH1 2.87Å; T613-R636 PolarHBondContact OG1-NH2 3.32Å; T613-D681 VanDerWaalsContact CA-OD2 3.24Å; T613-D681 WeakPolarHBondContact CA-OD2 3.16Å
614	G	83.3	Confident	87.1	Confident	19 Å²	19	37.4 Å²	37.4	20%	0.196	19%	0.194	C	C	.	.	S	Bend	trans	87.1	6.5	177.3	0	0	0	0	0	114.9	M616 E617 G618 D619 D681	G614-M616 PolarHBondContact O-N 3.16Å; G614-E617 PolarHBondContact O-N 2.98Å; G614-G618 PolarHBondContact O-N 2.95Å; G614-G618 VanDerWaalsContact O-N 3.1Å; G614-D619 CarbonylContact C-O 3.49Å; G614-D619 WeakPolarHBondContact CA-O 3.25Å; G614-D619 CarbonylContact O-C 3.54Å; G614-D619 PolarHBondContact O-N 2.84Å; G614-D681 PolarHBondContact N-OD2 2.87Å
615	H	87	Confident	87.4	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.019	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.8	177.5	-165.1	-40.5	0	0	0	112.1	L620 D681 L744 V745 H746 P885	H615-L620 HydrophobicContact CB-CD1 3.63Å; H615-D681 HydrophobicContact CB-CB 3.78Å; H615-D681 WeakPolarHBondContact CB-OD2 3.37Å; H615-D681 PolarHBondContact N-OD2 2.97Å; H615-L744 HydrophobicContact CB-CD1 4.25Å; H615-V745 PolarHBondContact CE1-O 3.04Å; H615-H746 AromaticContact CE1-CE1 4Å; H615-H746 AromaticContact CE1-ND1 3.99Å; H615-H746 AromaticContact NE2-CE1 3.32Å; H615-H746 PolarHBondContact NE2-CE1 3.43Å; H615-H746 VanDerWaalsContact NE2-CE1 3.32Å; H615-H746 AromaticContact NE2-ND1 3.6Å; H615-P885 CarbonylContact O-C 3.57Å
616	M	84.9	Confident	87.6	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-25.7	177.3	-65.7	179.8	60.4	0	0	113.6	G614 T666 L679 Y742 L744 H899 Q900	G614-M616 PolarHBondContact O-N 3.16Å; M616-T666 HydrophobicContact SD-CG2 3.66Å; M616-L679 HydrophobicContact SD-CD2 4.33Å; M616-Y742 WeakPolarHBondContact CE-OH 3.48Å; M616-L744 HydrophobicContact CG-CD2 3.7Å; M616-H899 CarbonylContact O-C 3.55Å; M616-H899 WeakPolarHBondContact O-CA 3.48Å; M616-H899 WeakPolarHBondContact O-CB 3.4Å; M616-Q900 HydrophobicContact CE-CB 3.83Å; M616-Q900 HydrophobicContact CE-CG 3.86Å; M616-Q900 PolarHBondContact O-N 2.72Å
617	E	82.9	Confident	87.7	Confident	92 Å²	92	27.7 Å²	27.7	43%	0.43	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.4	-174.8	-67.5	-176.9	177.7	0	0	112.7	G614 H899 Q900 C902	G614-E617 PolarHBondContact O-N 2.98Å; E617-H899 PolarHBondContact O-CE1 2.72Å; E617-H899 PolarHBondContact O-ND1 3.31Å; E617-Q900 VanDerWaalsContact CG-O 3.29Å; E617-Q900 WeakPolarHBondContact CG-O 3.09Å; E617-C902 PolarHBondContact OE1-N 2.79Å
618	G	79	Confident	87.8	Confident	26 Å²	26	26 Å²	26	27%	0.268	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	-3.1	-179.9	0	0	0	0	0	114.9	G614 H899	G614-G618 PolarHBondContact O-N 2.95Å; G614-G618 VanDerWaalsContact O-N 3.1Å; G618-H899 VanDerWaalsContact CA-CE1 3.42Å; G618-H899 WeakPolarHBondContact CA-CE1 3.47Å
619	D	79.6	Confident	87.7	Confident	97 Å²	97	27.7 Å²	27.7	52%	0.519	15%	0.151	S	C	.	.			trans	-111.7	81.7	179.5	-173.7	39.5	0	0	0	109.6	G614 Q621	G614-D619 CarbonylContact C-O 3.49Å; G614-D619 WeakPolarHBondContact CA-O 3.25Å; G614-D619 CarbonylContact O-C 3.54Å; G614-D619 PolarHBondContact O-N 2.84Å; D619-Q621 PolarHBondContact O-N 2.67Å; D619-Q621 VanDerWaalsContact O-N 3.1Å; D619-Q621 PolarHBondContact OD2-NE2 2.9Å
620	L	83.6	Confident	87.4	Confident	64 Å²	64	29.9 Å²	29.9	34%	0.335	17%	0.166	S	C	.	.			trans	-73.1	103.2	-177.4	-176.1	80.3	0	0	0	111.1	S612 H615 H746 P885	S612-L620 VanDerWaalsContact CB-CD1 3.48Å; H615-L620 HydrophobicContact CB-CD1 3.63Å; L620-H746 WeakPolarHBondContact CD2-NE2 3.24Å; L620-P885 HydrophobicContact CB-CB 4.11Å; L620-P885 HydrophobicContact CB-CG 3.83Å
621	Q	84.4	Confident	87.5	Confident	74 Å²	74	27.8 Å²	27.8	35%	0.346	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.2	174.4	-55.1	-177.4	11.9	0	0	110.3	T613 D619	T613-Q621 PolarHBondContact N-O 2.77Å; T613-Q621 PolarHBondContact O-N 3.4Å; T613-Q621 PolarHBondContact OG1-O 2.8Å; D619-Q621 PolarHBondContact O-N 2.67Å; D619-Q621 VanDerWaalsContact O-N 3.1Å; D619-Q621 PolarHBondContact OD2-NE2 2.9Å
622	P	86.4	Confident	87.7	Confident	52 Å²	52	27.7 Å²	27.7	34%	0.338	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	144.6	175.5	29.2	-33.9	0	0	0	111.1	R636 W999	P622-R636 PolarHBondContact O-NH1 2.99Å; P622-W999 HydrophobicContact CB-CE3 3.99Å; P622-W999 HydrophobicContact CB-CH2 4.23Å; P622-W999 HydrophobicContact CB-CZ3 3.78Å
623	L	90.2	Very high	87.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.4	179.8	-171.1	74.7	0	0	0	109.6	M611 T613 L634 L635 R636 E647 L680	M611-L623 PolarHBondContact N-O 2.83Å; M611-L623 CarbonylContact O-C 3.5Å; M611-L623 WeakPolarHBondContact O-CA 3.28Å; M611-L623 WeakPolarHBondContact O-CB 3.32Å; M611-L623 PolarHBondContact O-N 3.18Å; T613-L623 HydrophobicContact CG2-CB 4.4Å; T613-L623 HydrophobicContact CG2-CD2 3.96Å; L623-L634 HydrophobicContact CD1-CB 4.09Å; L623-L634 HydrophobicContact CD2-CB 4.38Å; L623-L634 HydrophobicContact CD2-CD2 4.12Å; L623-L634 HydrophobicContact CD2-CG 4.11Å; L623-L635 WeakPolarHBondContact CD1-O 3.48Å; L623-R636 HydrophobicContact CD1-CG 3.96Å; L623-E647 WeakPolarHBondContact CD1-OE2 3.16Å; L623-L680 HydrophobicContact CD2-CD2 3.56Å
624	Y	90.9	Very high	88	Confident	3 Å²	3	26.5 Å²	26.5	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.2	164.5	-62.3	-98.2	0	0	0	108	F583 M608 L609 R610 L635 Y644 D1003	F583-Y624 HydrophobicContact CD2-CD1 4.42Å; F583-Y624 AromaticContact CD2-CE1 3.86Å; F583-Y624 HydrophobicContact CD2-CE1 3.86Å; F583-Y624 HydrophobicContact CE2-CE1 4.17Å; F583-Y624 HydrophobicContact CG-CD1 4.46Å; F583-Y624 HydrophobicContact CG-CE1 4.34Å; M608-Y624 HydrophobicContact CE-CD1 3.8Å; M608-Y624 HydrophobicContact CE-CG 3.86Å; L609-Y624 CarbonylContact O-C 3.54Å; L609-Y624 VanDerWaalsContact O-CA 3.32Å; L609-Y624 WeakPolarHBondContact O-CA 3.23Å; R610-Y624 HydrophobicContact CG-CD1 3.95Å; R610-Y624 HydrophobicContact CG-CE1 3.9Å; Y624-L635 PolarHBondContact N-O 2.81Å; Y624-L635 WeakPolarHBondContact O-CA 3.36Å; Y624-L635 VanDerWaalsContact O-CB 3.3Å; Y624-L635 WeakPolarHBondContact O-CB 3.5Å; Y624-L635 PolarHBondContact O-N 3.16Å; Y624-Y644 HydrophobicContact CD2-CE1 4.27Å; Y624-Y644 HydrophobicContact CG-CE1 4.39Å; Y624-D1003 PolarHBondContact OH-OD2 3.38Å
625	L	92.3	Very high	88.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.3	178.8	-172.4	143.9	0	0	0	108.8	L609 M611 L627 I632 Y633 L680 F691	L609-L625 HydrophobicContact CD1-CD2 4.33Å; L609-L625 PolarHBondContact N-O 3.01Å; L609-L625 PolarHBondContact O-N 2.85Å; M611-L625 HydrophobicContact SD-CB 3.96Å; M611-L625 HydrophobicContact SD-CD1 3.87Å; M611-L625 HydrophobicContact SD-CG 4.36Å; L625-L627 HydrophobicContact CD2-CD1 4.47Å; L625-L627 HydrophobicContact CD2-CD2 3.77Å; L625-L627 HydrophobicContact CD2-CG 3.86Å; L625-I632 HydrophobicContact CD1-CG2 3.96Å; L625-I632 HydrophobicContact CD2-CG2 3.91Å; L625-I632 HydrophobicContact CG-CG2 3.88Å; L625-Y633 WeakPolarHBondContact CA-O 3.29Å; L625-L680 HydrophobicContact CD1-CD1 3.54Å; L625-L680 HydrophobicContact CD1-CD2 4.06Å; L625-L680 HydrophobicContact CD1-CG 4.47Å; L625-F691 HydrophobicContact CD1-CE2 4.48Å; L625-F691 HydrophobicContact CD2-CD2 4.36Å; L625-F691 HydrophobicContact CD2-CE2 3.59Å; L625-F691 HydrophobicContact CD2-CZ 4.34Å
626	L	92.4	Very high	88.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.8	-178.2	-159.1	71.6	0	0	0	109.7	L593 V597 F598 L605 M608 I632 Y633 L635	L593-L626 HydrophobicContact CD1-CD1 3.95Å; L593-L626 HydrophobicContact CD1-CD2 4.13Å; L593-L626 HydrophobicContact CD2-CD2 4.1Å; L593-L626 HydrophobicContact CG-CD2 4.5Å; V597-L626 HydrophobicContact CG1-CD2 3.91Å; F598-L626 HydrophobicContact CD1-CD2 4.4Å; F598-L626 HydrophobicContact CE1-CD2 3.8Å; L605-L626 HydrophobicContact CD1-CD1 3.48Å; L605-L626 VanDerWaalsContact CD1-CD1 3.48Å; L605-L626 HydrophobicContact CD1-CD2 4.45Å; L605-L626 HydrophobicContact CD1-CG 3.89Å; M608-L626 HydrophobicContact CB-CD1 3.6Å; M608-L626 HydrophobicContact CE-CD1 4.48Å; M608-L626 HydrophobicContact CG-CD1 3.54Å; M608-L626 HydrophobicContact SD-CD1 3.77Å; L626-I632 WeakPolarHBondContact O-CA 3.16Å; L626-Y633 HydrophobicContact CB-CD2 4.32Å; L626-Y633 HydrophobicContact CD2-CD2 4.3Å; L626-Y633 PolarHBondContact N-O 3.25Å; L626-Y633 PolarHBondContact O-N 2.71Å; L626-L635 HydrophobicContact CB-CD1 3.97Å; L626-L635 HydrophobicContact CB-CG 4.48Å; L626-L635 HydrophobicContact CD2-CD1 4.15Å
627	L	92.7	Very high	87.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.6	174.1	-64.2	174.9	0	0	0	108.9	F606 R607 L609 L625 I632 F691 V694 L695	F606-L627 WeakPolarHBondContact CA-O 3.16Å; F606-L627 HydrophobicContact CB-CB 4.37Å; F606-L627 WeakPolarHBondContact CB-O 3.48Å; F606-L627 PolarHBondContact N-O 3.11Å; R607-L627 PolarHBondContact N-O 3.34Å; R607-L627 PolarHBondContact O-N 3.01Å; L609-L627 HydrophobicContact CD1-CD1 3.84Å; L609-L627 HydrophobicContact CD1-CG 4.22Å; L625-L627 HydrophobicContact CD2-CD1 4.47Å; L625-L627 HydrophobicContact CD2-CD2 3.77Å; L625-L627 HydrophobicContact CD2-CG 3.86Å; L627-I632 HydrophobicContact CD2-CB 4.28Å; L627-I632 HydrophobicContact CD2-CD1 4.47Å; L627-I632 HydrophobicContact CD2-CG1 3.8Å; L627-I632 HydrophobicContact CD2-CG2 4.03Å; L627-F691 HydrophobicContact CD1-CD2 4.45Å; L627-F691 HydrophobicContact CD1-CE2 4.19Å; L627-F691 HydrophobicContact CD2-CE2 4.37Å; L627-V694 HydrophobicContact CD1-CG1 3.61Å; L627-L695 HydrophobicContact CD2-CD1 3.95Å
628	T	92.1	Very high	87.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-174.2	168.6	63.3	0	0	0	0	110.2	F598 E603 Q604 C630 Y631 Y633 Y652	F598-T628 HydrophobicContact CD1-CG2 4.1Å; F598-T628 HydrophobicContact CE1-CG2 3.45Å; F598-T628 VanDerWaalsContact CE1-CG2 3.45Å; F598-T628 HydrophobicContact CZ-CG2 3.85Å; E603-T628 HydrophobicContact CG-CG2 3.81Å; E603-T628 WeakPolarHBondContact OE1-CB 3.39Å; E603-T628 WeakPolarHBondContact OE1-CG2 3.44Å; E603-T628 PolarHBondContact OE1-OG1 2.77Å; Q604-T628 CarbonylContact O-C 3.4Å; Q604-T628 WeakPolarHBondContact O-CA 3.28Å; Q604-T628 WeakPolarHBondContact O-CB 3.48Å; T628-C630 VanDerWaalsContact C-N 3.31Å; T628-C630 PolarHBondContact OG1-N 2.83Å; T628-Y631 PolarHBondContact N-O 2.89Å; T628-Y631 PolarHBondContact OG1-N 3.34Å; T628-Y631 PolarHBondContact OG1-O 2.91Å; T628-Y633 HydrophobicContact CG2-CD2 4.34Å; T628-Y633 HydrophobicContact CG2-CE2 3.88Å; T628-Y652 VanDerWaalsContact O-CE2 3.28Å; T628-Y652 WeakPolarHBondContact O-CE2 3.37Å; T628-Y652 PolarHBondContact O-OH 2.87Å
629	D	88.7	Confident	86.4	Confident	36 Å²	36	29.1 Å²	29.1	19%	0.193	16%	0.163	C	C	.	.	S	Bend	trans	-69.3	-24.2	168	51.3	-6.8	0	0	0	113.5	Q604 Y652 G702	Q604-D629 HydrophobicContact CB-CB 4.5Å; Q604-D629 WeakPolarHBondContact CB-OD2 3.2Å; Q604-D629 PolarHBondContact N-OD1 3.24Å; Q604-D629 PolarHBondContact N-OD2 3.33Å; Q604-D629 PolarHBondContact O-N 2.9Å; Q604-D629 VanDerWaalsContact O-N 3.11Å; D629-Y652 WeakPolarHBondContact O-CD2 3.2Å; D629-Y652 VanDerWaalsContact O-CE2 3.28Å; D629-Y652 WeakPolarHBondContact O-CE2 3.48Å; D629-G702 WeakPolarHBondContact O-CA 3.32Å
630	C	87	Confident	85.2	Confident	47 Å²	47	28.4 Å²	28.4	32%	0.318	17%	0.171	S	C	.	.	S	Bend	trans	-113.5	-28.9	-177	-72.8	0	0	0	0	115.7	T628 S651 Y652	T628-C630 VanDerWaalsContact C-N 3.31Å; T628-C630 PolarHBondContact OG1-N 2.83Å; C630-S651 PolarHBondContact O-OG 3.11Å; C630-Y652 WeakPolarHBondContact O-CD2 3.23Å; C630-Y652 PolarHBondContact O-N 3.17Å
631	Y	91.7	Very high	83.7	Confident	37 Å²	37	33.6 Å²	33.6	15%	0.145	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156	-167.4	-65.5	-91.7	0	0	0	114.1	E600 E603 T628 Y633 V650 S651	E600-Y631 HydrophobicContact CG-CE2 4.42Å; E600-Y631 WeakPolarHBondContact OE1-CE2 3.18Å; E600-Y631 PolarHBondContact OE1-OH 3.44Å; E603-Y631 WeakPolarHBondContact OE1-CD2 3.11Å; T628-Y631 PolarHBondContact N-O 2.89Å; T628-Y631 PolarHBondContact OG1-N 3.34Å; T628-Y631 PolarHBondContact OG1-O 2.91Å; Y631-Y633 HydrophobicContact CG-CE2 4.4Å; Y631-V650 WeakPolarHBondContact CA-O 3.37Å; Y631-S651 VanDerWaalsContact CD1-CA 3.49Å
632	I	93.1	Very high	82.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.3	161.1	-49.9	176.8	0	0	0	107.1	L625 L626 L627 L634 A649 V650 Y652 L655 L669 L695	L625-I632 HydrophobicContact CD1-CG2 3.96Å; L625-I632 HydrophobicContact CD2-CG2 3.91Å; L625-I632 HydrophobicContact CG-CG2 3.88Å; L626-I632 WeakPolarHBondContact O-CA 3.16Å; L627-I632 HydrophobicContact CD2-CB 4.28Å; L627-I632 HydrophobicContact CD2-CD1 4.47Å; L627-I632 HydrophobicContact CD2-CG1 3.8Å; L627-I632 HydrophobicContact CD2-CG2 4.03Å; I632-L634 HydrophobicContact CG2-CD1 4.49Å; I632-A649 CarbonylContact O-C 3.49Å; I632-A649 WeakPolarHBondContact O-CA 3.22Å; I632-V650 HydrophobicContact CB-CB 4.44Å; I632-V650 PolarHBondContact N-O 2.8Å; I632-V650 PolarHBondContact O-N 2.82Å; I632-Y652 HydrophobicContact CD1-CD1 4.28Å; I632-Y652 HydrophobicContact CD1-CE1 4Å; I632-Y652 HydrophobicContact CG1-CD1 4Å; I632-Y652 HydrophobicContact CG1-CE1 3.47Å; I632-Y652 VanDerWaalsContact CG1-CE1 3.47Å; I632-L655 HydrophobicContact CD1-CD2 4.34Å; I632-L669 HydrophobicContact CD1-CD1 4.25Å; I632-L669 HydrophobicContact CG2-CD1 4.26Å; I632-L695 HydrophobicContact CD1-CD1 3.81Å; I632-L695 HydrophobicContact CG1-CD1 4.26Å
633	Y	92.9	Very high	82	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136	171.8	-58.2	-96.5	0	0	0	111.1	V597 R599 E603 L625 L626 T628 Y631 V646 A649	V597-Y633 HydrophobicContact CG1-CD1 3.77Å; V597-Y633 HydrophobicContact CG1-CD2 4.16Å; V597-Y633 HydrophobicContact CG1-CE1 4.12Å; V597-Y633 HydrophobicContact CG1-CE2 4.47Å; V597-Y633 HydrophobicContact CG1-CG 3.81Å; V597-Y633 WeakPolarHBondContact O-CE1 3.4Å; R599-Y633 HydrophobicContact CG-CE1 4.06Å; R599-Y633 PolarHBondContact N-OH 3.29Å; E603-Y633 VanDerWaalsContact CD-OH 3.22Å; E603-Y633 WeakPolarHBondContact OE1-CE2 3.43Å; E603-Y633 PolarHBondContact OE1-OH 3.32Å; E603-Y633 PolarHBondContact OE2-OH 2.62Å; L625-Y633 WeakPolarHBondContact CA-O 3.29Å; L626-Y633 HydrophobicContact CB-CD2 4.32Å; L626-Y633 HydrophobicContact CD2-CD2 4.3Å; L626-Y633 PolarHBondContact N-O 3.25Å; L626-Y633 PolarHBondContact O-N 2.71Å; T628-Y633 HydrophobicContact CG2-CD2 4.34Å; T628-Y633 HydrophobicContact CG2-CE2 3.88Å; Y631-Y633 HydrophobicContact CG-CE2 4.4Å; Y633-V646 HydrophobicContact CD1-CG1 4.01Å; Y633-A649 HydrophobicContact CD1-CB 3.53Å; Y633-A649 HydrophobicContact CE1-CB 3.71Å; Y633-A649 HydrophobicContact CG-CB 4.32Å
634	L	92.8	Very high	81.6	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.9	167.4	-74.4	80.1	0	0	0	106.9	L623 I632 E647 D648 F678 L680	L623-L634 HydrophobicContact CD1-CB 4.09Å; L623-L634 HydrophobicContact CD2-CB 4.38Å; L623-L634 HydrophobicContact CD2-CD2 4.12Å; L623-L634 HydrophobicContact CD2-CG 4.11Å; I632-L634 HydrophobicContact CG2-CD1 4.49Å; L634-E647 HydrophobicContact CB-CB 4.36Å; L634-E647 WeakPolarHBondContact O-CB 3.36Å; L634-E647 PolarHBondContact O-N 3.5Å; L634-D648 PolarHBondContact N-O 3.49Å; L634-F678 HydrophobicContact CD2-CB 3.99Å; L634-F678 HydrophobicContact CD2-CD1 3.76Å; L634-F678 HydrophobicContact CD2-CG 4.04Å; L634-L680 HydrophobicContact CD2-CD2 4.35Å
635	L	90.5	Very high	81.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.5	-176	-52.5	-179.2	0	0	0	110.9	L593 V597 M608 L623 Y624 L626 Y644 T645 V646	L593-L635 HydrophobicContact CD2-CD1 3.93Å; V597-L635 HydrophobicContact CB-CD2 4.49Å; V597-L635 HydrophobicContact CG1-CD1 4.16Å; V597-L635 HydrophobicContact CG1-CD2 3.73Å; V597-L635 HydrophobicContact CG2-CD1 4.18Å; V597-L635 HydrophobicContact CG2-CD2 3.91Å; M608-L635 HydrophobicContact CE-CD1 4.15Å; L623-L635 WeakPolarHBondContact CD1-O 3.48Å; Y624-L635 PolarHBondContact N-O 2.81Å; Y624-L635 WeakPolarHBondContact O-CA 3.36Å; Y624-L635 VanDerWaalsContact O-CB 3.3Å; Y624-L635 WeakPolarHBondContact O-CB 3.5Å; Y624-L635 PolarHBondContact O-N 3.16Å; L626-L635 HydrophobicContact CB-CD1 3.97Å; L626-L635 HydrophobicContact CB-CG 4.48Å; L626-L635 HydrophobicContact CD2-CD1 4.15Å; L635-Y644 HydrophobicContact CB-CD1 4.42Å; L635-Y644 HydrophobicContact CD1-CD1 4.45Å; L635-Y644 HydrophobicContact CD1-CG 4.42Å; L635-T645 WeakPolarHBondContact CA-O 3.34Å; L635-V646 HydrophobicContact CD2-CB 4.22Å; L635-V646 HydrophobicContact CD2-CG1 4.43Å; L635-V646 HydrophobicContact CD2-CG2 3.74Å
636	R	88.1	Confident	81.1	Confident	42 Å²	42	41.2 Å²	41.2	16%	0.158	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	163.6	163.2	-60.7	-166.7	-171.2	-79.3	1.9	109.3	T613 P622 L623 Y644 T645 E647	T613-R636 PolarHBondContact OG1-NH1 2.87Å; T613-R636 PolarHBondContact OG1-NH2 3.32Å; P622-R636 PolarHBondContact O-NH1 2.99Å; L623-R636 HydrophobicContact CD1-CG 3.96Å; R636-Y644 WeakPolarHBondContact O-CA 3.22Å; R636-T645 PolarHBondContact N-O 2.99Å; R636-T645 PolarHBondContact O-N 3.38Å; R636-T645 PolarHBondContact O-OG1 3.13Å; R636-E647 IonicContact CZ-OE1 2.98Å; R636-E647 VanDerWaalsContact CZ-OE1 3.23Å; R636-E647 IonicContact CZ-OE2 2.65Å; R636-E647 IonicContact NE-OE1 2.72Å; R636-E647 PolarHBondContact NE-OE1 2.66Å; R636-E647 IonicContact NE-OE2 3.2Å; R636-E647 PolarHBondContact NE-OE2 3.41Å; R636-E647 VanDerWaalsContact NE-OE2 3.16Å; R636-E647 VanDerWaalsContact NH2-CD 3.34Å; R636-E647 IonicContact NH2-OE1 2.68Å; R636-E647 PolarHBondContact NH2-OE1 3.46Å; R636-E647 IonicContact NH2-OE2 3.98Å; R636-E647 PolarHBondContact NH2-OE2 3.36Å; R636-E647 VanDerWaalsContact NH2-OE2 3.08Å
637	K	75.4	Confident	80.7	Confident	69 Å²	69	45.4 Å²	45.4	30%	0.3	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.4	178	-152.8	-178	-173	163.2	0	110.4	P643 A1002 D1003	K637-P643 WeakPolarHBondContact CG-O 3.17Å; K637-A1002 WeakPolarHBondContact CD-O 3.43Å; K637-D1003 PolarHBondContact NZ-O 3.24Å; K637-D1003 IonicContact NZ-OD1 3.04Å; K637-D1003 PolarHBondContact NZ-OD1 3.27Å
638	G	66.9	Low	80.6	Confident	16 Å²	16	47.6 Å²	47.6	17%	0.165	26%	0.264	C	S	.	.			trans	-97.8	-170.2	-178.7	0	0	0	0	0	114.2	K642 P643	G638-K642 CarbonylContact C-O 3.5Å; G638-K642 WeakPolarHBondContact CA-O 3.36Å; G638-P643 PolarHBondContact N-O 2.9Å
639	A	62.1	Low	80.5	Confident	70 Å²	70	47.7 Å²	47.7	58%	0.579	27%	0.265	S	S	*	.			trans	-69.5	170.3	176.5	0	0	0	0	0	112.2	E641 K642	A639-E641 PolarHBondContact O-N 2.96Å; A639-K642 PolarHBondContact N-O 3.25Å; A639-K642 CarbonylContact O-C 3.51Å; A639-K642 PolarHBondContact O-N 3.33Å; A639-K642 VanDerWaalsContact O-O 3.09Å
640	A	54.7	Low	80.7	Confident	83 Å²	83	46 Å²	46	69%	0.686	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.6	-174	0	0	0	0	0	114.9
641	E	53.3	Low	80.8	Confident	173 Å²	173	44.6 Å²	44.6	81%	0.808	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.7	177.9	-68.2	154.6	-158	0	0	113.7	A639	A639-E641 PolarHBondContact O-N 2.96Å
642	K	64.1	Low	80.6	Confident	133 Å²	133	43.2 Å²	43.2	58%	0.578	24%	0.241	S	C	*	.	S	Bend	trans	-136.1	81.7	177.2	-73.1	-172.4	-179.5	178.4	0	108.5	G638 A639 Y644	G638-K642 CarbonylContact C-O 3.5Å; G638-K642 WeakPolarHBondContact CA-O 3.36Å; A639-K642 PolarHBondContact N-O 3.25Å; A639-K642 CarbonylContact O-C 3.51Å; A639-K642 PolarHBondContact O-N 3.33Å; A639-K642 VanDerWaalsContact O-O 3.09Å; K642-Y644 PolarHBondContact O-N 2.86Å; K642-Y644 VanDerWaalsContact O-N 3.12Å
643	P	69.3	Low	80.3	Confident	26 Å²	26	49.1 Å²	49.1	17%	0.169	27%	0.273	C	S	.	.	S	Bend	trans	-66	-17.9	-167.7	21.2	-31.2	0	0	0	114.2	L592 K637 G638	L592-P643 HydrophobicContact CD1-CG 3.73Å; L592-P643 HydrophobicContact CD2-CB 4.48Å; L592-P643 HydrophobicContact CD2-CG 3.58Å; L592-P643 HydrophobicContact CG-CG 3.85Å; K637-P643 WeakPolarHBondContact CG-O 3.17Å; G638-P643 PolarHBondContact N-O 2.9Å
644	Y	82.4	Confident	80.1	Confident	10 Å²	10	52.6 Å²	52.6	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.1	166.4	-60.8	-75.1	0	0	0	109.8	L592 L593 M608 Y624 L635 R636 K642	L592-Y644 HydrophobicContact CD2-CE2 4.41Å; L593-Y644 HydrophobicContact CD2-CD2 3.7Å; L593-Y644 HydrophobicContact CD2-CE2 4.08Å; L593-Y644 HydrophobicContact CD2-CG 4.26Å; M608-Y644 HydrophobicContact CE-CD1 4.2Å; M608-Y644 HydrophobicContact CE-CE1 3.59Å; M608-Y644 HydrophobicContact CE-CE2 4.45Å; Y624-Y644 HydrophobicContact CD2-CE1 4.27Å; Y624-Y644 HydrophobicContact CG-CE1 4.39Å; L635-Y644 HydrophobicContact CB-CD1 4.42Å; L635-Y644 HydrophobicContact CD1-CD1 4.45Å; L635-Y644 HydrophobicContact CD1-CG 4.42Å; R636-Y644 WeakPolarHBondContact O-CA 3.22Å; K642-Y644 PolarHBondContact O-N 2.86Å; K642-Y644 VanDerWaalsContact O-N 3.12Å
645	T	83.2	Confident	79.9	Confident	66 Å²	66	52.8 Å²	52.8	41%	0.405	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.4	167.8	39.2	0	0	0	0	108.7	L635 R636 E647	L635-T645 WeakPolarHBondContact CA-O 3.34Å; R636-T645 PolarHBondContact N-O 2.99Å; R636-T645 PolarHBondContact O-N 3.38Å; R636-T645 PolarHBondContact O-OG1 3.13Å; T645-E647 PolarHBondContact O-N 3.22Å
646	V	89.1	Confident	79.9	Confident	53 Å²	53	55.4 Å²	55.4	32%	0.321	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	111.7	170	-173.7	0	0	0	0	107.8	V597 Y633 L635 A649	V597-V646 HydrophobicContact CB-CG2 4.26Å; V597-V646 HydrophobicContact CG1-CG2 4.1Å; V597-V646 HydrophobicContact CG2-CG2 4.02Å; Y633-V646 HydrophobicContact CD1-CG1 4.01Å; L635-V646 HydrophobicContact CD2-CB 4.22Å; L635-V646 HydrophobicContact CD2-CG1 4.43Å; L635-V646 HydrophobicContact CD2-CG2 3.74Å; V646-A649 HydrophobicContact CG1-CB 4.46Å
647	E	85.6	Confident	80	Confident	89 Å²	89	56 Å²	56	42%	0.416	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-51.8	172.3	175.3	174.9	-131.7	0	0	109.4	L623 L634 R636 T645	L623-E647 WeakPolarHBondContact CD1-OE2 3.16Å; L634-E647 HydrophobicContact CB-CB 4.36Å; L634-E647 WeakPolarHBondContact O-CB 3.36Å; L634-E647 PolarHBondContact O-N 3.5Å; R636-E647 IonicContact CZ-OE1 2.98Å; R636-E647 VanDerWaalsContact CZ-OE1 3.23Å; R636-E647 IonicContact CZ-OE2 2.65Å; R636-E647 IonicContact NE-OE1 2.72Å; R636-E647 PolarHBondContact NE-OE1 2.66Å; R636-E647 IonicContact NE-OE2 3.2Å; R636-E647 PolarHBondContact NE-OE2 3.41Å; R636-E647 VanDerWaalsContact NE-OE2 3.16Å; R636-E647 VanDerWaalsContact NH2-CD 3.34Å; R636-E647 IonicContact NH2-OE1 2.68Å; R636-E647 PolarHBondContact NH2-OE1 3.46Å; R636-E647 IonicContact NH2-OE2 3.98Å; R636-E647 PolarHBondContact NH2-OE2 3.36Å; R636-E647 VanDerWaalsContact NH2-OE2 3.08Å; T645-E647 PolarHBondContact O-N 3.22Å
648	D	89.3	Confident	80.8	Confident	46 Å²	46	53.1 Å²	53.1	25%	0.246	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.4	176.2	-137.9	-51.2	0	0	0	110.9	L634 R676 F678	L634-D648 PolarHBondContact N-O 3.49Å; D648-R676 IonicContact OD1-CZ 3.81Å; D648-R676 IonicContact OD1-NE 3.34Å; D648-R676 IonicContact OD1-NH2 3.33Å; D648-R676 PolarHBondContact OD1-NH2 3.3Å; D648-F678 HydrophobicContact CB-CD1 4.48Å; D648-F678 HydrophobicContact CB-CE1 3.66Å; D648-F678 HydrophobicContact CB-CZ 3.96Å; D648-F678 VanDerWaalsContact CG-CZ 3.43Å; D648-F678 WeakPolarHBondContact OD2-CE1 3.46Å; D648-F678 WeakPolarHBondContact OD2-CZ 3.43Å
649	A	91.5	Very high	82	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.008	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.4	171	0	0	0	0	0	110.2	R599 I632 Y633 V646 R676	R599-A649 VanDerWaalsContact CZ-CB 3.5Å; I632-A649 CarbonylContact O-C 3.49Å; I632-A649 WeakPolarHBondContact O-CA 3.22Å; Y633-A649 HydrophobicContact CD1-CB 3.53Å; Y633-A649 HydrophobicContact CE1-CB 3.71Å; Y633-A649 HydrophobicContact CG-CB 4.32Å; V646-A649 HydrophobicContact CG1-CB 4.46Å; A649-R676 PolarHBondContact O-NH2 2.9Å
650	V	90.9	Very high	83.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.4	-175.8	-177.2	0	0	0	0	107.5	Y631 I632 E654 F678	Y631-V650 WeakPolarHBondContact CA-O 3.37Å; I632-V650 HydrophobicContact CB-CB 4.44Å; I632-V650 PolarHBondContact N-O 2.8Å; I632-V650 PolarHBondContact O-N 2.82Å; V650-E654 HydrophobicContact CG1-CB 4.26Å; V650-F678 HydrophobicContact CG2-CD2 3.78Å; V650-F678 HydrophobicContact CG2-CE2 3.4Å; V650-F678 HydrophobicContact CG2-CZ 4.15Å
651	S	89.2	Confident	85.2	Confident	18 Å²	18	47.1 Å²	47.1	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	145.8	170.2	178.1	0	0	0	0	108.7	C630 Y631 N653 E654	C630-S651 PolarHBondContact O-OG 3.11Å; Y631-S651 VanDerWaalsContact CD1-CA 3.49Å; S651-N653 PolarHBondContact O-N 3.05Å; S651-N653 VanDerWaalsContact O-N 3.09Å; S651-N653 PolarHBondContact OG-N 3.44Å; S651-E654 PolarHBondContact N-OE2 3.22Å; S651-E654 WeakPolarHBondContact O-CB 3.43Å; S651-E654 PolarHBondContact O-N 3.45Å
652	Y	88.2	Confident	86.9	Confident	8 Å²	8	39.6 Å²	39.6	3%	0.031	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53.3	-33.1	171.4	-64.8	-48	0	0	0	112	T628 D629 C630 I632 E654 L655 L695 A698 M699 R704	T628-Y652 VanDerWaalsContact O-CE2 3.28Å; T628-Y652 WeakPolarHBondContact O-CE2 3.37Å; T628-Y652 PolarHBondContact O-OH 2.87Å; D629-Y652 WeakPolarHBondContact O-CD2 3.2Å; D629-Y652 VanDerWaalsContact O-CE2 3.28Å; D629-Y652 WeakPolarHBondContact O-CE2 3.48Å; C630-Y652 WeakPolarHBondContact O-CD2 3.23Å; C630-Y652 PolarHBondContact O-N 3.17Å; I632-Y652 HydrophobicContact CD1-CD1 4.28Å; I632-Y652 HydrophobicContact CD1-CE1 4Å; I632-Y652 HydrophobicContact CG1-CD1 4Å; I632-Y652 HydrophobicContact CG1-CE1 3.47Å; I632-Y652 VanDerWaalsContact CG1-CE1 3.47Å; Y652-E654 PolarHBondContact O-N 2.95Å; Y652-L655 WeakPolarHBondContact O-CB 3.31Å; Y652-L655 PolarHBondContact O-N 3.15Å; Y652-L695 HydrophobicContact CD1-CD1 4.23Å; Y652-L695 HydrophobicContact CE1-CD1 3.51Å; Y652-A698 WeakPolarHBondContact OH-CB 3.42Å; Y652-M699 HydrophobicContact CD1-CE 4.22Å; Y652-M699 HydrophobicContact CD1-CG 3.54Å; Y652-M699 HydrophobicContact CD1-SD 3.91Å; Y652-M699 HydrophobicContact CD2-CG 4.12Å; Y652-M699 HydrophobicContact CE1-CG 3.69Å; Y652-M699 HydrophobicContact CE1-SD 4.33Å; Y652-M699 HydrophobicContact CE2-CG 4.24Å; Y652-M699 HydrophobicContact CG-CE 4.32Å; Y652-M699 HydrophobicContact CG-CG 3.79Å; Y652-M699 HydrophobicContact CG-SD 4.47Å; Y652-R704 PolarHBondContact O-NH1 3.24Å
653	N	86.3	Confident	88.2	Confident	125 Å²	125	36.4 Å²	36.4	67%	0.668	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-68.7	-17.7	177.5	-64.8	-36.1	0	0	0	114.1	S651	S651-N653 PolarHBondContact O-N 3.05Å; S651-N653 VanDerWaalsContact O-N 3.09Å; S651-N653 PolarHBondContact OG-N 3.44Å
654	E	88.5	Confident	89.2	Confident	73 Å²	73	39 Å²	39	34%	0.341	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-86.5	-12.5	175.1	-66.6	-173.6	133.1	0	0	113.3	V650 S651 Y652 C671 T672 R676	V650-E654 HydrophobicContact CG1-CB 4.26Å; S651-E654 PolarHBondContact N-OE2 3.22Å; S651-E654 WeakPolarHBondContact O-CB 3.43Å; S651-E654 PolarHBondContact O-N 3.45Å; Y652-E654 PolarHBondContact O-N 2.95Å; E654-C671 CarbonylContact O-C 3.57Å; E654-C671 WeakPolarHBondContact O-CA 3.16Å; E654-C671 WeakPolarHBondContact O-CB 3.2Å; E654-T672 PolarHBondContact O-N 3.5Å; E654-T672 PolarHBondContact O-OG1 3.2Å; E654-R676 VanDerWaalsContact CD-NH1 3.26Å; E654-R676 IonicContact OE1-NH1 3.76Å; E654-R676 PolarHBondContact OE1-NH1 3.35Å; E654-R676 IonicContact OE2-CZ 3Å; E654-R676 IonicContact OE2-NH1 3Å; E654-R676 PolarHBondContact OE2-NH1 3.37Å; E654-R676 IonicContact OE2-NH2 3.57Å
655	L	89.5	Confident	89.7	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.1	-173.3	-169.4	60.7	0	0	0	111.7	I632 Y652 L658 L669 P709	I632-L655 HydrophobicContact CD1-CD2 4.34Å; Y652-L655 WeakPolarHBondContact O-CB 3.31Å; Y652-L655 PolarHBondContact O-N 3.15Å; L655-L658 HydrophobicContact CD1-CD2 4.3Å; L655-L658 HydrophobicContact CD2-CD2 4.1Å; L655-L658 HydrophobicContact CD2-CG 4.27Å; L655-L669 HydrophobicContact CD1-CB 4.16Å; L655-P709 HydrophobicContact CB-CG 4.05Å; L655-P709 HydrophobicContact CD2-CB 4.34Å; L655-P709 HydrophobicContact CD2-CG 3.92Å; L655-P709 HydrophobicContact CG-CB 4.1Å; L655-P709 HydrophobicContact CG-CG 3.84Å
656	D	89.6	Confident	90.2	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-57.3	179.1	-171.7	18.6	0	0	0	109.6	V670 T672 R674	D656-V670 WeakPolarHBondContact CB-O 3.26Å; D656-V670 PolarHBondContact N-O 2.81Å; D656-T672 HydrophobicContact CB-CG2 4.03Å; D656-R674 IonicContact OD2-CZ 3.18Å; D656-R674 IonicContact OD2-NE 3.61Å; D656-R674 PolarHBondContact OD2-NE 3.14Å; D656-R674 IonicContact OD2-NH2 2.7Å; D656-R674 PolarHBondContact OD2-NH2 2.62Å
657	Y	90.8	Very high	90.4	Very high	55 Å²	55	33 Å²	33	22%	0.216	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	165.3	176.7	66.8	-86.9	0	0	0	112.1	V670 A710 L712	Y657-V670 HydrophobicContact CD1-CB 4.14Å; Y657-V670 HydrophobicContact CD1-CG1 4.15Å; Y657-V670 HydrophobicContact CD2-CB 4.29Å; Y657-V670 HydrophobicContact CD2-CG2 4.26Å; Y657-V670 HydrophobicContact CE1-CB 3.9Å; Y657-V670 HydrophobicContact CE1-CG1 3.56Å; Y657-V670 HydrophobicContact CE1-CG2 4.35Å; Y657-V670 HydrophobicContact CE2-CB 4.07Å; Y657-V670 HydrophobicContact CE2-CG1 4.45Å; Y657-V670 HydrophobicContact CE2-CG2 3.74Å; Y657-V670 HydrophobicContact CG-CB 4.33Å; Y657-V670 PolarHBondContact N-O 3.33Å; Y657-V670 WeakPolarHBondContact O-CB 3.27Å; Y657-V670 PolarHBondContact O-N 3.3Å; Y657-A710 CarbonylContact C-O 3.58Å; Y657-A710 WeakPolarHBondContact CA-O 3.47Å; Y657-A710 WeakPolarHBondContact CB-O 3.47Å; Y657-L712 HydrophobicContact CD2-CD1 3.57Å; Y657-L712 HydrophobicContact CD2-CG 4.02Å; Y657-L712 HydrophobicContact CE2-CD1 3.64Å; Y657-L712 HydrophobicContact CG-CD1 4.36Å
658	L	92.6	Very high	90.7	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	174	-66.2	159.1	0	0	0	107.8	L655 L669 L692 L695 A710 V711 L712	L655-L658 HydrophobicContact CD1-CD2 4.3Å; L655-L658 HydrophobicContact CD2-CD2 4.1Å; L655-L658 HydrophobicContact CD2-CG 4.27Å; L658-L669 HydrophobicContact CD2-CD2 3.37Å; L658-L692 HydrophobicContact CD1-CD2 4.07Å; L658-L695 HydrophobicContact CD1-CD2 3.68Å; L658-L695 HydrophobicContact CD2-CD2 4.01Å; L658-L695 HydrophobicContact CG-CD2 4.5Å; L658-A710 PolarHBondContact N-O 3.36Å; L658-V711 HydrophobicContact CB-CG1 4.49Å; L658-V711 HydrophobicContact CB-CG2 4.32Å; L658-V711 HydrophobicContact CD1-CG2 4.01Å; L658-V711 WeakPolarHBondContact O-CA 3.38Å; L658-L712 PolarHBondContact O-N 2.97Å
659	S	92.3	Very high	90.9	Very high	32 Å²	32	28 Å²	28	22%	0.224	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113	175.3	-164	0	0	0	0	109.4	I667 T668	S659-I667 CarbonylContact O-C 3.59Å; S659-I667 WeakPolarHBondContact O-CA 3.38Å; S659-T668 PolarHBondContact N-O 2.89Å; S659-T668 PolarHBondContact O-N 3.39Å
660	V	94.1	Very high	90.9	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.5	170.6	-174.3	0	0	0	0	108.2	Q664 T688 L692 V711 L712 T713	V660-Q664 HydrophobicContact CG1-CB 4.29Å; V660-Q664 HydrophobicContact CG1-CG 4.04Å; V660-T688 HydrophobicContact CG1-CG2 3.84Å; V660-L692 HydrophobicContact CG2-CD1 3.89Å; V660-V711 HydrophobicContact CG2-CG1 3.89Å; V660-L712 PolarHBondContact N-O 3.38Å; V660-T713 HydrophobicContact CB-CG2 4.25Å; V660-T713 HydrophobicContact CG2-CG2 4.12Å
661	G	89.8	Confident	90.9	Very high	9 Å²	9	28.1 Å²	28.1	9%	0.093	15%	0.148	C	C	.	.			trans	-79.6	-176.7	178.1	0	0	0	0	0	113.3	D663 Q664 T666 E718	G661-D663 PolarHBondContact O-N 3.08Å; G661-Q664 PolarHBondContact O-N 3.35Å; G661-T666 PolarHBondContact N-O 3.25Å; G661-E718 VanDerWaalsContact CA-OE2 3.29Å; G661-E718 WeakPolarHBondContact CA-OE2 3.44Å
662	L	89.4	Confident	90.7	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-49.4	134.2	176.1	-76.9	176.4	0	0	0	111.9	Q664 Q665 A715 E718 K719 L722 Y742	L662-Q664 PolarHBondContact O-N 3.25Å; L662-Q665 PolarHBondContact O-N 3.42Å; L662-Q665 VanDerWaalsContact O-N 3.1Å; L662-A715 HydrophobicContact CD2-CB 4.12Å; L662-A715 HydrophobicContact CG-CB 4.27Å; L662-E718 HydrophobicContact CD1-CG 3.82Å; L662-E718 HydrophobicContact CG-CB 4.38Å; L662-E718 HydrophobicContact CG-CG 3.97Å; L662-E718 WeakPolarHBondContact CG-OE2 3.49Å; L662-E718 PolarHBondContact N-OE2 2.77Å; L662-K719 HydrophobicContact CD2-CB 3.91Å; L662-K719 HydrophobicContact CD2-CD 4.34Å; L662-K719 HydrophobicContact CD2-CG 4.16Å; L662-L722 HydrophobicContact CD1-CB 4.29Å; L662-L722 HydrophobicContact CD1-CD2 3.41Å; L662-L722 VanDerWaalsContact CD1-CD2 3.41Å; L662-L722 HydrophobicContact CD1-CG 4.49Å; L662-Y742 HydrophobicContact CB-CD1 3.48Å; L662-Y742 VanDerWaalsContact CB-CD1 3.48Å; L662-Y742 HydrophobicContact CB-CE1 4Å; L662-Y742 HydrophobicContact CB-CG 3.82Å; L662-Y742 HydrophobicContact CD1-CD1 4.44Å; L662-Y742 HydrophobicContact CD1-CD2 4.16Å; L662-Y742 HydrophobicContact CD1-CG 4.11Å
663	D	90.3	Very high	90.7	Very high	67 Å²	67	35.3 Å²	35.3	36%	0.358	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	50.1	29.9	172.1	-76.7	-0	0	0	0	114.6	G661 Q665 L741 Y742 R957	G661-D663 PolarHBondContact O-N 3.08Å; D663-Q665 HydrophobicContact CB-CG 4.43Å; D663-Q665 PolarHBondContact O-N 3.1Å; D663-Q665 PolarHBondContact O-NE2 3.29Å; D663-L741 WeakPolarHBondContact OD2-CA 3.3Å; D663-Y742 VanDerWaalsContact CB-O 3.26Å; D663-Y742 WeakPolarHBondContact CB-O 3.34Å; D663-Y742 PolarHBondContact OD2-N 3.3Å; D663-R957 PolarHBondContact O-NH1 2.99Å
664	Q	91.8	Very high	90.4	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	58.4	26.5	178.9	-58.3	-172.1	93.3	0	0	114.6	V660 G661 L662 T682 T688	V660-Q664 HydrophobicContact CG1-CB 4.29Å; V660-Q664 HydrophobicContact CG1-CG 4.04Å; G661-Q664 PolarHBondContact O-N 3.35Å; L662-Q664 PolarHBondContact O-N 3.25Å; Q664-T682 PolarHBondContact O-OG1 3.2Å; Q664-T688 HydrophobicContact CB-CG2 3.91Å; Q664-T688 HydrophobicContact CG-CG2 4.42Å; Q664-T688 WeakPolarHBondContact O-CB 3.31Å; Q664-T688 PolarHBondContact O-OG1 2.85Å
665	Q	92.4	Very high	90.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.			trans	-84.2	-18.4	-177.2	-61.8	-62.2	-78	0	0	114.8	L662 D663 T682 A683 Y742 L744 E954 R957	L662-Q665 PolarHBondContact O-N 3.42Å; L662-Q665 VanDerWaalsContact O-N 3.1Å; D663-Q665 HydrophobicContact CB-CG 4.43Å; D663-Q665 PolarHBondContact O-N 3.1Å; D663-Q665 PolarHBondContact O-NE2 3.29Å; Q665-T682 PolarHBondContact O-N 2.86Å; Q665-T682 VanDerWaalsContact O-N 3.08Å; Q665-T682 PolarHBondContact O-OG1 2.79Å; Q665-A683 PolarHBondContact O-N 3.45Å; Q665-Y742 HydrophobicContact CB-CD1 4.22Å; Q665-Y742 HydrophobicContact CB-CE1 4.09Å; Q665-Y742 HydrophobicContact CG-CD1 3.91Å; Q665-Y742 HydrophobicContact CG-CE1 4.25Å; Q665-Y742 WeakPolarHBondContact CG-O 3.2Å; Q665-L744 HydrophobicContact CB-CD1 4.21Å; Q665-L744 HydrophobicContact CB-CG 4.07Å; Q665-E954 PolarHBondContact NE2-OE1 2.91Å; Q665-R957 VanDerWaalsContact NE2-NH2 3.1Å
666	T	92.6	Very high	90	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.7	-178	63.9	0	0	0	0	112	M616 G661 L679 L680 D681 L744	M616-T666 HydrophobicContact SD-CG2 3.66Å; G661-T666 PolarHBondContact N-O 3.25Å; T666-L679 HydrophobicContact CG2-CD1 4.43Å; T666-L680 CarbonylContact C-O 3.16Å; T666-L680 VanDerWaalsContact CA-O 3.3Å; T666-L680 WeakPolarHBondContact CA-O 3.34Å; T666-D681 WeakPolarHBondContact CG2-OD1 3.43Å; T666-L744 HydrophobicContact CG2-CD1 3.91Å
667	I	94.4	Very high	89.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.2	176.8	-49.5	179	0	0	0	108.8	S659 L680 T682 T688 F691	S659-I667 CarbonylContact O-C 3.59Å; S659-I667 WeakPolarHBondContact O-CA 3.38Å; I667-L680 PolarHBondContact N-O 3.42Å; I667-L680 WeakPolarHBondContact O-CB 3.44Å; I667-L680 PolarHBondContact O-N 2.93Å; I667-T682 HydrophobicContact CD1-CG2 4.05Å; I667-T682 HydrophobicContact CG1-CG2 4.27Å; I667-T688 HydrophobicContact CD1-CG2 3.88Å; I667-T688 HydrophobicContact CG1-CG2 4.06Å; I667-F691 HydrophobicContact CD1-CD1 3.42Å; I667-F691 VanDerWaalsContact CD1-CD1 3.42Å; I667-F691 HydrophobicContact CD1-CE1 3.99Å; I667-F691 HydrophobicContact CD1-CG 4.38Å; I667-F691 HydrophobicContact CG2-CE1 4.35Å
668	T	92.2	Very high	90	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.184	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.3	170.4	-54.7	0	0	0	0	110.5	S659 V670 K677 F678	S659-T668 PolarHBondContact N-O 2.89Å; S659-T668 PolarHBondContact O-N 3.39Å; T668-V670 HydrophobicContact CG2-CG2 3.87Å; T668-K677 HydrophobicContact CG2-CB 4.12Å; T668-F678 CarbonylContact C-O 3.46Å; T668-F678 VanDerWaalsContact CA-O 3.28Å; T668-F678 WeakPolarHBondContact CA-O 3.27Å
669	L	92.8	Very high	89.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.7	165.2	-44.7	-178.1	0	0	0	108.2	I632 L655 L658 K677 F678 L680 F691	I632-L669 HydrophobicContact CD1-CD1 4.25Å; I632-L669 HydrophobicContact CG2-CD1 4.26Å; L655-L669 HydrophobicContact CD1-CB 4.16Å; L658-L669 HydrophobicContact CD2-CD2 3.37Å; L669-K677 VanDerWaalsContact O-CA 3.28Å; L669-K677 WeakPolarHBondContact O-CA 3.34Å; L669-F678 HydrophobicContact CB-CB 4.22Å; L669-F678 HydrophobicContact CB-CD2 4.37Å; L669-F678 HydrophobicContact CD1-CB 4.31Å; L669-F678 HydrophobicContact CG-CB 4.35Å; L669-F678 PolarHBondContact N-O 2.8Å; L669-F678 PolarHBondContact O-N 2.63Å; L669-L680 HydrophobicContact CD1-CD1 4.11Å; L669-L680 HydrophobicContact CD2-CD1 3.99Å; L669-L680 HydrophobicContact CG-CD1 3.91Å; L669-F691 HydrophobicContact CD2-CE1 4.44Å; L669-F691 HydrophobicContact CD2-CZ 4.35Å
670	V	91	Very high	89.9	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	116.6	177.6	-176.9	0	0	0	0	110.6	D656 Y657 T668 K677	D656-V670 WeakPolarHBondContact CB-O 3.26Å; D656-V670 PolarHBondContact N-O 2.81Å; Y657-V670 HydrophobicContact CD1-CB 4.14Å; Y657-V670 HydrophobicContact CD1-CG1 4.15Å; Y657-V670 HydrophobicContact CD2-CB 4.29Å; Y657-V670 HydrophobicContact CD2-CG2 4.26Å; Y657-V670 HydrophobicContact CE1-CB 3.9Å; Y657-V670 HydrophobicContact CE1-CG1 3.56Å; Y657-V670 HydrophobicContact CE1-CG2 4.35Å; Y657-V670 HydrophobicContact CE2-CB 4.07Å; Y657-V670 HydrophobicContact CE2-CG1 4.45Å; Y657-V670 HydrophobicContact CE2-CG2 3.74Å; Y657-V670 HydrophobicContact CG-CB 4.33Å; Y657-V670 PolarHBondContact N-O 3.33Å; Y657-V670 WeakPolarHBondContact O-CB 3.27Å; Y657-V670 PolarHBondContact O-N 3.3Å; T668-V670 HydrophobicContact CG2-CG2 3.87Å; V670-K677 HydrophobicContact CG1-CG 4.26Å; V670-K677 HydrophobicContact CG2-CD 4.31Å; V670-K677 HydrophobicContact CG2-CG 4.23Å
671	C	90.8	Very high	89.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	157.5	177.5	-56.1	0	0	0	0	112.1	E654 N673 R674 R676	E654-C671 CarbonylContact O-C 3.57Å; E654-C671 WeakPolarHBondContact O-CA 3.16Å; E654-C671 WeakPolarHBondContact O-CB 3.2Å; C671-N673 CarbonylContact O-C 3.06Å; C671-N673 PolarHBondContact O-N 3.25Å; C671-R674 WeakPolarHBondContact O-CA 3.39Å; C671-R674 PolarHBondContact O-N 3.1Å; C671-R676 HydrophobicContact CB-CB 4.01Å; C671-R676 PolarHBondContact N-O 2.84Å
672	T	86.6	Confident	89.8	Confident	86 Å²	86	49.2 Å²	49.2	53%	0.528	22%	0.224	S	C	.	.	S	Bend	trans	-54	-39.1	174	53	0	0	0	0	111.7	E654 D656 R674	E654-T672 PolarHBondContact O-N 3.5Å; E654-T672 PolarHBondContact O-OG1 3.2Å; D656-T672 HydrophobicContact CB-CG2 4.03Å; T672-R674 VanDerWaalsContact C-N 3.34Å; T672-R674 PolarHBondContact O-N 2.79Å
673	N	86.4	Confident	89.8	Confident	91 Å²	91	48.9 Å²	48.9	49%	0.487	22%	0.223	S	C	.	.	S	Bend	trans	-73	89.6	156.6	-179.8	2.2	0	0	0	109.6	C671 R675 R676	C671-N673 CarbonylContact O-C 3.06Å; C671-N673 PolarHBondContact O-N 3.25Å; N673-R675 PolarHBondContact O-N 2.85Å; N673-R675 WeakPolarHBondContact OD1-CB 3.45Å; N673-R675 PolarHBondContact OD1-N 3.45Å; N673-R676 PolarHBondContact O-N 3.42Å
674	R	80.1	Confident	89.8	Confident	167 Å²	167	46.6 Å²	46.6	63%	0.63	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-1.4	-176.5	-65.2	-179.1	174.2	179.6	-2.4	116.4	D656 C671 T672 K677	D656-R674 IonicContact OD2-CZ 3.18Å; D656-R674 IonicContact OD2-NE 3.61Å; D656-R674 PolarHBondContact OD2-NE 3.14Å; D656-R674 IonicContact OD2-NH2 2.7Å; D656-R674 PolarHBondContact OD2-NH2 2.62Å; C671-R674 WeakPolarHBondContact O-CA 3.39Å; C671-R674 PolarHBondContact O-N 3.1Å; T672-R674 VanDerWaalsContact C-N 3.34Å; T672-R674 PolarHBondContact O-N 2.79Å; R674-K677 WeakPolarHBondContact O-CE 3.34Å
675	R	82.1	Confident	89.6	Confident	234 Å²	234	43.3 Å²	43.3	88%	0.883	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-27	167.9	-62.5	-174.8	177.8	-168.5	-0.1	113.2	N673	N673-R675 PolarHBondContact O-N 2.85Å; N673-R675 WeakPolarHBondContact OD1-CB 3.45Å; N673-R675 PolarHBondContact OD1-N 3.45Å
676	R	87.9	Confident	89.6	Confident	59 Å²	59	45.2 Å²	45.2	22%	0.223	21%	0.212	C	C	.	.			trans	-86.1	113.2	169.2	-74.5	177.2	77.4	-144.3	2.6	108.1	D648 A649 E654 C671 N673 F678	D648-R676 IonicContact OD1-CZ 3.81Å; D648-R676 IonicContact OD1-NE 3.34Å; D648-R676 IonicContact OD1-NH2 3.33Å; D648-R676 PolarHBondContact OD1-NH2 3.3Å; A649-R676 PolarHBondContact O-NH2 2.9Å; E654-R676 VanDerWaalsContact CD-NH1 3.26Å; E654-R676 IonicContact OE1-NH1 3.76Å; E654-R676 PolarHBondContact OE1-NH1 3.35Å; E654-R676 IonicContact OE2-CZ 3Å; E654-R676 IonicContact OE2-NH1 3Å; E654-R676 PolarHBondContact OE2-NH1 3.37Å; E654-R676 IonicContact OE2-NH2 3.57Å; C671-R676 HydrophobicContact CB-CB 4.01Å; C671-R676 PolarHBondContact N-O 2.84Å; N673-R676 PolarHBondContact O-N 3.42Å; R676-F678 HydrophobicContact CB-CE2 4.17Å; R676-F678 HydrophobicContact CB-CZ 4.33Å
677	K	88.8	Confident	89.5	Confident	114 Å²	114	45.5 Å²	45.5	50%	0.496	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.7	173.6	-64.1	-173.7	179.9	-177.4	0	108	T668 L669 V670 R674	T668-K677 HydrophobicContact CG2-CB 4.12Å; L669-K677 VanDerWaalsContact O-CA 3.28Å; L669-K677 WeakPolarHBondContact O-CA 3.34Å; V670-K677 HydrophobicContact CG1-CG 4.26Å; V670-K677 HydrophobicContact CG2-CD 4.31Å; V670-K677 HydrophobicContact CG2-CG 4.23Å; R674-K677 WeakPolarHBondContact O-CE 3.34Å
678	F	91.2	Very high	89.5	Confident	27 Å²	27	45.5 Å²	45.5	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.4	-178.7	-55.8	-79.1	0	0	0	108.8	L634 D648 V650 T668 L669 R676	L634-F678 HydrophobicContact CD2-CB 3.99Å; L634-F678 HydrophobicContact CD2-CD1 3.76Å; L634-F678 HydrophobicContact CD2-CG 4.04Å; D648-F678 HydrophobicContact CB-CD1 4.48Å; D648-F678 HydrophobicContact CB-CE1 3.66Å; D648-F678 HydrophobicContact CB-CZ 3.96Å; D648-F678 VanDerWaalsContact CG-CZ 3.43Å; D648-F678 WeakPolarHBondContact OD2-CE1 3.46Å; D648-F678 WeakPolarHBondContact OD2-CZ 3.43Å; V650-F678 HydrophobicContact CG2-CD2 3.78Å; V650-F678 HydrophobicContact CG2-CE2 3.4Å; V650-F678 HydrophobicContact CG2-CZ 4.15Å; T668-F678 CarbonylContact C-O 3.46Å; T668-F678 VanDerWaalsContact CA-O 3.28Å; T668-F678 WeakPolarHBondContact CA-O 3.27Å; L669-F678 HydrophobicContact CB-CB 4.22Å; L669-F678 HydrophobicContact CB-CD2 4.37Å; L669-F678 HydrophobicContact CD1-CB 4.31Å; L669-F678 HydrophobicContact CG-CB 4.35Å; L669-F678 PolarHBondContact N-O 2.8Å; L669-F678 PolarHBondContact O-N 2.63Å; R676-F678 HydrophobicContact CB-CE2 4.17Å; R676-F678 HydrophobicContact CB-CZ 4.33Å
679	L	90.3	Very high	89.4	Confident	50 Å²	50	48 Å²	48	26%	0.262	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130	173.7	179.3	63.3	0	0	0	109	M616 T666 C902	M616-L679 HydrophobicContact SD-CD2 4.33Å; T666-L679 HydrophobicContact CG2-CD1 4.43Å; L679-C902 HydrophobicContact CD2-CB 4.06Å
680	L	92.5	Very high	89.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.3	178.6	-54.9	170.7	0	0	0	108	M611 L623 L625 L634 T666 I667 L669	M611-L680 HydrophobicContact CE-CB 3.84Å; M611-L680 HydrophobicContact CE-CD1 4.05Å; M611-L680 HydrophobicContact SD-CD1 4.23Å; L623-L680 HydrophobicContact CD2-CD2 3.56Å; L625-L680 HydrophobicContact CD1-CD1 3.54Å; L625-L680 HydrophobicContact CD1-CD2 4.06Å; L625-L680 HydrophobicContact CD1-CG 4.47Å; L634-L680 HydrophobicContact CD2-CD2 4.35Å; T666-L680 CarbonylContact C-O 3.16Å; T666-L680 VanDerWaalsContact CA-O 3.3Å; T666-L680 WeakPolarHBondContact CA-O 3.34Å; I667-L680 PolarHBondContact N-O 3.42Å; I667-L680 WeakPolarHBondContact O-CB 3.44Å; I667-L680 PolarHBondContact O-N 2.93Å; L669-L680 HydrophobicContact CD1-CD1 4.11Å; L669-L680 HydrophobicContact CD2-CD1 3.99Å; L669-L680 HydrophobicContact CG-CD1 3.91Å
681	D	92.1	Very high	89.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.3	175.8	-56.8	-48.9	0	0	0	108.5	S612 T613 G614 H615 T666 L744	S612-D681 PolarHBondContact N-O 2.85Å; S612-D681 PolarHBondContact O-N 3.43Å; S612-D681 PolarHBondContact OG-O 2.9Å; T613-D681 VanDerWaalsContact CA-OD2 3.24Å; T613-D681 WeakPolarHBondContact CA-OD2 3.16Å; G614-D681 PolarHBondContact N-OD2 2.87Å; H615-D681 HydrophobicContact CB-CB 3.78Å; H615-D681 WeakPolarHBondContact CB-OD2 3.37Å; H615-D681 PolarHBondContact N-OD2 2.97Å; T666-D681 WeakPolarHBondContact CG2-OD1 3.43Å; D681-L744 HydrophobicContact CB-CD1 4.02Å
682	T	89.6	Confident	89.6	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.049	24%	0.239	C	C	.	.			trans	-87.2	-35.7	173.1	52	0	0	0	0	111.6	M611 Q664 Q665 I667 D684 L687 T688	M611-T682 HydrophobicContact CE-CG2 3.46Å; M611-T682 VanDerWaalsContact CE-CG2 3.46Å; Q664-T682 PolarHBondContact O-OG1 3.2Å; Q665-T682 PolarHBondContact O-N 2.86Å; Q665-T682 VanDerWaalsContact O-N 3.08Å; Q665-T682 PolarHBondContact O-OG1 2.79Å; I667-T682 HydrophobicContact CD1-CG2 4.05Å; I667-T682 HydrophobicContact CG1-CG2 4.27Å; T682-D684 PolarHBondContact O-N 2.99Å; T682-D684 VanDerWaalsContact O-N 3.07Å; T682-D684 PolarHBondContact OG1-O 2.92Å; T682-L687 HydrophobicContact CG2-CD2 4.14Å; T682-L687 HydrophobicContact CG2-CG 3.96Å; T682-T688 WeakPolarHBondContact CG2-OG1 3.39Å; T682-T688 PolarHBondContact OG1-OG1 2.8Å
683	A	89.7	Confident	89.8	Confident	8 Å²	8	48.6 Å²	48.6	7%	0.066	23%	0.232	C	C	.	.			trans	53.7	18.8	-172	0	0	0	0	0	113.9	Q665 L744 S950	Q665-A683 PolarHBondContact O-N 3.45Å; A683-L744 HydrophobicContact CB-CB 3.65Å; A683-L744 HydrophobicContact CB-CD1 4.09Å; A683-L744 HydrophobicContact CB-CG 4.48Å; A683-S950 VanDerWaalsContact O-CB 3.27Å; A683-S950 WeakPolarHBondContact O-CB 3.29Å; A683-S950 PolarHBondContact O-OG 2.7Å
684	D	89.8	Confident	90.1	Very high	18 Å²	18	44.6 Å²	44.6	10%	0.096	21%	0.211	C	C	.	.			trans	-156.9	114	-171	170.8	4.1	0	0	0	108.6	H579 T682 S686 L687 T688 E954	H579-D684 IonicContact CE1-OD2 2.91Å; H579-D684 PolarHBondContact CE1-OD2 3.47Å; H579-D684 IonicContact NE2-OD1 3.38Å; H579-D684 IonicContact NE2-OD2 2.7Å; H579-D684 PolarHBondContact NE2-OD2 3.31Å; T682-D684 PolarHBondContact O-N 2.99Å; T682-D684 VanDerWaalsContact O-N 3.07Å; T682-D684 PolarHBondContact OG1-O 2.92Å; D684-S686 VanDerWaalsContact C-N 3.28Å; D684-S686 VanDerWaalsContact CG-OG 3.26Å; D684-S686 PolarHBondContact O-N 2.91Å; D684-S686 WeakPolarHBondContact OD1-CA 3.42Å; D684-S686 VanDerWaalsContact OD1-CB 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.4Å; D684-S686 PolarHBondContact OD1-N 3Å; D684-S686 PolarHBondContact OD1-OG 3.44Å; D684-S686 PolarHBondContact OD2-OG 3.33Å; D684-S686 VanDerWaalsContact OD2-OG 3.11Å; D684-L687 HydrophobicContact CB-CB 3.85Å; D684-L687 PolarHBondContact O-N 3.39Å; D684-L687 PolarHBondContact OD1-N 2.86Å; D684-L687 WeakPolarHBondContact OD2-CB 3.44Å; D684-L687 PolarHBondContact OD2-N 2.89Å; D684-T688 PolarHBondContact O-N 3Å; D684-T688 VanDerWaalsContact O-N 3.13Å; D684-T688 PolarHBondContact O-OG1 2.8Å; D684-E954 WeakPolarHBondContact CA-OE1 3.39Å
685	G	89.3	Confident	90.6	Very high	12 Å²	12	36.8 Å²	36.8	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-30	177.6	0	0	0	0	0	114.1	T688 V689 E954	G685-T688 PolarHBondContact O-N 2.8Å; G685-V689 WeakPolarHBondContact O-CG2 3.42Å; G685-V689 PolarHBondContact O-N 2.89Å; G685-V689 VanDerWaalsContact O-N 3.15Å; G685-E954 PolarHBondContact N-OE1 2.9Å
686	S	91.6	Very high	90.9	Very high	40 Å²	40	32 Å²	32	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-71.3	-41.9	178.3	79.7	0	0	0	0	111.3	H579 D684 T688 V689 W690	H579-S686 VanDerWaalsContact NE2-C 3.3Å; H579-S686 WeakPolarHBondContact NE2-CB 3.3Å; H579-S686 PolarHBondContact NE2-OG 2.88Å; D684-S686 VanDerWaalsContact C-N 3.28Å; D684-S686 VanDerWaalsContact CG-OG 3.26Å; D684-S686 PolarHBondContact O-N 2.91Å; D684-S686 WeakPolarHBondContact OD1-CA 3.42Å; D684-S686 VanDerWaalsContact OD1-CB 3.27Å; D684-S686 WeakPolarHBondContact OD1-CB 3.4Å; D684-S686 PolarHBondContact OD1-N 3Å; D684-S686 PolarHBondContact OD1-OG 3.44Å; D684-S686 PolarHBondContact OD2-OG 3.33Å; D684-S686 VanDerWaalsContact OD2-OG 3.11Å; S686-T688 VanDerWaalsContact C-N 3.32Å; S686-T688 PolarHBondContact O-N 3.33Å; S686-V689 PolarHBondContact O-N 3.08Å; S686-W690 WeakPolarHBondContact O-CB 3.36Å; S686-W690 PolarHBondContact O-N 2.99Å
687	L	91.4	Very high	91	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-41.7	171.5	176.6	52.5	0	0	0	111.3	H579 A581 T682 D684 W690 F691	H579-L687 WeakPolarHBondContact CE1-CB 3.35Å; H579-L687 PolarHBondContact NE2-N 2.96Å; A581-L687 HydrophobicContact CB-CD1 3.64Å; A581-L687 HydrophobicContact CB-CD2 4Å; A581-L687 HydrophobicContact CB-CG 4.42Å; T682-L687 HydrophobicContact CG2-CD2 4.14Å; T682-L687 HydrophobicContact CG2-CG 3.96Å; D684-L687 HydrophobicContact CB-CB 3.85Å; D684-L687 PolarHBondContact O-N 3.39Å; D684-L687 PolarHBondContact OD1-N 2.86Å; D684-L687 WeakPolarHBondContact OD2-CB 3.44Å; D684-L687 PolarHBondContact OD2-N 2.89Å; L687-W690 HydrophobicContact CD1-CE3 3.95Å; L687-W690 HydrophobicContact CD1-CZ3 4.35Å; L687-W690 PolarHBondContact O-N 3.42Å; L687-F691 WeakPolarHBondContact O-CB 3.29Å; L687-F691 PolarHBondContact O-N 2.87Å
688	T	92.4	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-49.5	176.8	-68	0	0	0	0	112.3	V660 Q664 I667 T682 D684 G685 S686 L692	V660-T688 HydrophobicContact CG1-CG2 3.84Å; Q664-T688 HydrophobicContact CB-CG2 3.91Å; Q664-T688 HydrophobicContact CG-CG2 4.42Å; Q664-T688 WeakPolarHBondContact O-CB 3.31Å; Q664-T688 PolarHBondContact O-OG1 2.85Å; I667-T688 HydrophobicContact CD1-CG2 3.88Å; I667-T688 HydrophobicContact CG1-CG2 4.06Å; T682-T688 WeakPolarHBondContact CG2-OG1 3.39Å; T682-T688 PolarHBondContact OG1-OG1 2.8Å; D684-T688 PolarHBondContact O-N 3Å; D684-T688 VanDerWaalsContact O-N 3.13Å; D684-T688 PolarHBondContact O-OG1 2.8Å; G685-T688 PolarHBondContact O-N 2.8Å; S686-T688 VanDerWaalsContact C-N 3.32Å; S686-T688 PolarHBondContact O-N 3.33Å; T688-L692 HydrophobicContact CG2-CD1 4.25Å; T688-L692 WeakPolarHBondContact O-CG 3.49Å; T688-L692 PolarHBondContact O-N 2.95Å
689	V	91.9	Very high	90.8	Very high	82 Å²	82	24 Å²	24	50%	0.497	14%	0.137	S	C	.	.	H	α-helix	trans	-64.6	-42.1	178.1	174.9	0	0	0	0	111.2	G685 S686 L692 S693	G685-V689 WeakPolarHBondContact O-CG2 3.42Å; G685-V689 PolarHBondContact O-N 2.89Å; G685-V689 VanDerWaalsContact O-N 3.15Å; S686-V689 PolarHBondContact O-N 3.08Å; V689-L692 PolarHBondContact O-N 3.12Å; V689-S693 PolarHBondContact O-N 3.16Å
690	W	93	Very high	90.6	Very high	14 Å²	14	25.4 Å²	25.4	5%	0.053	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-48.6	178.5	-179	71.7	0	0	0	112	I577 H579 E582 L609 S686 L687 L692 S693 V694	I577-W690 PolarHBondContact O-NE1 3.24Å; H579-W690 HydrophobicContact CB-CB 4.49Å; H579-W690 HydrophobicContact CB-CD2 3.34Å; H579-W690 HydrophobicContact CB-CE3 3.44Å; H579-W690 VanDerWaalsContact CB-CE3 3.44Å; H579-W690 HydrophobicContact CB-CG 3.82Å; H579-W690 HydrophobicContact CB-CH2 4.05Å; H579-W690 HydrophobicContact CB-CZ2 3.95Å; H579-W690 HydrophobicContact CB-CZ3 3.78Å; H579-W690 AromaticContact CG-CE3 3.97Å; E582-W690 HydrophobicContact CB-CH2 3.65Å; E582-W690 HydrophobicContact CB-CZ2 4.25Å; E582-W690 HydrophobicContact CB-CZ3 4.44Å; E582-W690 HydrophobicContact CG-CH2 3.93Å; E582-W690 HydrophobicContact CG-CZ2 4.39Å; L609-W690 HydrophobicContact CD2-CE3 3.89Å; L609-W690 HydrophobicContact CD2-CH2 4.27Å; L609-W690 HydrophobicContact CD2-CZ3 3.41Å; L609-W690 VanDerWaalsContact CD2-CZ3 3.41Å; L609-W690 HydrophobicContact CG-CH2 4.14Å; L609-W690 HydrophobicContact CG-CZ3 3.67Å; S686-W690 WeakPolarHBondContact O-CB 3.36Å; S686-W690 PolarHBondContact O-N 2.99Å; L687-W690 HydrophobicContact CD1-CE3 3.95Å; L687-W690 HydrophobicContact CD1-CZ3 4.35Å; L687-W690 PolarHBondContact O-N 3.42Å; W690-L692 VanDerWaalsContact C-N 3.33Å; W690-L692 PolarHBondContact O-N 2.61Å; W690-S693 WeakPolarHBondContact O-CB 3.47Å; W690-S693 PolarHBondContact O-N 2.9Å; W690-S693 VanDerWaalsContact O-N 3.08Å; W690-V694 HydrophobicContact CD2-CG2 3.83Å; W690-V694 VanDerWaalsContact CE2-CG2 3.47Å; W690-V694 HydrophobicContact CE3-CG2 4.43Å; W690-V694 HydrophobicContact CG-CG2 4.22Å; W690-V694 HydrophobicContact CH2-CG2 4.38Å; W690-V694 HydrophobicContact CZ2-CG2 3.78Å; W690-V694 WeakPolarHBondContact O-CG2 3Å; W690-V694 PolarHBondContact O-N 2.86Å
691	F	93.2	Very high	90.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-44.2	177.7	167.3	-108.2	0	0	0	112.2	L609 L625 L627 I667 L669 L687 S693 V694 L695	L609-F691 HydrophobicContact CD2-CB 4.04Å; L609-F691 HydrophobicContact CD2-CD2 3.66Å; L609-F691 HydrophobicContact CD2-CG 4.28Å; L625-F691 HydrophobicContact CD1-CE2 4.48Å; L625-F691 HydrophobicContact CD2-CD2 4.36Å; L625-F691 HydrophobicContact CD2-CE2 3.59Å; L625-F691 HydrophobicContact CD2-CZ 4.34Å; L627-F691 HydrophobicContact CD1-CD2 4.45Å; L627-F691 HydrophobicContact CD1-CE2 4.19Å; L627-F691 HydrophobicContact CD2-CE2 4.37Å; I667-F691 HydrophobicContact CD1-CD1 3.42Å; I667-F691 VanDerWaalsContact CD1-CD1 3.42Å; I667-F691 HydrophobicContact CD1-CE1 3.99Å; I667-F691 HydrophobicContact CD1-CG 4.38Å; I667-F691 HydrophobicContact CG2-CE1 4.35Å; L669-F691 HydrophobicContact CD2-CE1 4.44Å; L669-F691 HydrophobicContact CD2-CZ 4.35Å; L687-F691 WeakPolarHBondContact O-CB 3.29Å; L687-F691 PolarHBondContact O-N 2.87Å; F691-S693 VanDerWaalsContact C-N 3.27Å; F691-S693 PolarHBondContact O-N 2.89Å; F691-V694 PolarHBondContact O-N 2.99Å; F691-L695 HydrophobicContact CE1-CD2 3.99Å; F691-L695 HydrophobicContact CE2-CB 4.19Å; F691-L695 HydrophobicContact CE2-CD2 4.45Å; F691-L695 HydrophobicContact CZ-CB 4.29Å; F691-L695 HydrophobicContact CZ-CD2 3.76Å; F691-L695 VanDerWaalsContact O-CB 3.23Å; F691-L695 WeakPolarHBondContact O-CB 3.47Å; F691-L695 PolarHBondContact O-N 3.28Å
692	L	92.2	Very high	89.4	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-34.7	178.3	-68.6	168.9	0	0	0	112.2	L658 V660 T688 V689 W690 K696 V711	L658-L692 HydrophobicContact CD1-CD2 4.07Å; V660-L692 HydrophobicContact CG2-CD1 3.89Å; T688-L692 HydrophobicContact CG2-CD1 4.25Å; T688-L692 WeakPolarHBondContact O-CG 3.49Å; T688-L692 PolarHBondContact O-N 2.95Å; V689-L692 PolarHBondContact O-N 3.12Å; W690-L692 VanDerWaalsContact C-N 3.33Å; W690-L692 PolarHBondContact O-N 2.61Å; L692-K696 VanDerWaalsContact O-CB 3.29Å; L692-K696 WeakPolarHBondContact O-CB 3.27Å; L692-K696 PolarHBondContact O-N 2.9Å; L692-K696 VanDerWaalsContact O-N 3.12Å; L692-V711 HydrophobicContact CD1-CG1 4.2Å; L692-V711 HydrophobicContact CD2-CG1 4.22Å; L692-V711 HydrophobicContact CD2-CG2 4.36Å
693	S	91.2	Very high	88.1	Confident	55 Å²	55	37.7 Å²	37.7	39%	0.385	22%	0.223	S	C	.	.	H	α-helix	trans	-70	-44.6	173.9	-167.9	0	0	0	0	112.5	V689 W690 F691 S697	V689-S693 PolarHBondContact O-N 3.16Å; W690-S693 WeakPolarHBondContact O-CB 3.47Å; W690-S693 PolarHBondContact O-N 2.9Å; W690-S693 VanDerWaalsContact O-N 3.08Å; F691-S693 VanDerWaalsContact C-N 3.27Å; F691-S693 PolarHBondContact O-N 2.89Å; S693-S697 WeakPolarHBondContact O-CB 3.48Å; S693-S697 PolarHBondContact O-N 3.38Å; S693-S697 PolarHBondContact O-OG 2.79Å
694	V	91.4	Very high	87.3	Confident	7 Å²	7	40 Å²	40	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-48.6	177.1	172.6	0	0	0	0	110.7	F606 R607 L627 W690 F691 K696 S697 A698	F606-V694 HydrophobicContact CD1-CG1 3.92Å; F606-V694 HydrophobicContact CE1-CG1 3.67Å; F606-V694 VanDerWaalsContact CE1-O 3.27Å; F606-V694 WeakPolarHBondContact CE1-O 3.42Å; R607-V694 HydrophobicContact CB-CG1 4.19Å; R607-V694 HydrophobicContact CG-CG1 4.25Å; L627-V694 HydrophobicContact CD1-CG1 3.61Å; W690-V694 HydrophobicContact CD2-CG2 3.83Å; W690-V694 VanDerWaalsContact CE2-CG2 3.47Å; W690-V694 HydrophobicContact CE3-CG2 4.43Å; W690-V694 HydrophobicContact CG-CG2 4.22Å; W690-V694 HydrophobicContact CH2-CG2 4.38Å; W690-V694 HydrophobicContact CZ2-CG2 3.78Å; W690-V694 WeakPolarHBondContact O-CG2 3Å; W690-V694 PolarHBondContact O-N 2.86Å; F691-V694 PolarHBondContact O-N 2.99Å; V694-K696 PolarHBondContact O-N 2.96Å; V694-S697 WeakPolarHBondContact O-CB 3.15Å; V694-S697 PolarHBondContact O-N 3.11Å; V694-S697 VanDerWaalsContact O-N 3.12Å; V694-A698 PolarHBondContact O-N 3.01Å
695	L	91.1	Very high	86.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-48.3	177.2	174.3	60.1	0	0	0	111.5	L627 I632 Y652 L658 F691 S697 A698 M699	L627-L695 HydrophobicContact CD2-CD1 3.95Å; I632-L695 HydrophobicContact CD1-CD1 3.81Å; I632-L695 HydrophobicContact CG1-CD1 4.26Å; Y652-L695 HydrophobicContact CD1-CD1 4.23Å; Y652-L695 HydrophobicContact CE1-CD1 3.51Å; L658-L695 HydrophobicContact CD1-CD2 3.68Å; L658-L695 HydrophobicContact CD2-CD2 4.01Å; L658-L695 HydrophobicContact CG-CD2 4.5Å; F691-L695 HydrophobicContact CE1-CD2 3.99Å; F691-L695 HydrophobicContact CE2-CB 4.19Å; F691-L695 HydrophobicContact CE2-CD2 4.45Å; F691-L695 HydrophobicContact CZ-CB 4.29Å; F691-L695 HydrophobicContact CZ-CD2 3.76Å; F691-L695 VanDerWaalsContact O-CB 3.23Å; F691-L695 WeakPolarHBondContact O-CB 3.47Å; F691-L695 PolarHBondContact O-N 3.28Å; L695-S697 PolarHBondContact O-N 3.46Å; L695-A698 PolarHBondContact O-N 2.94Å; L695-M699 HydrophobicContact CD1-CG 4.2Å; L695-M699 HydrophobicContact CD1-SD 3.95Å; L695-M699 HydrophobicContact CG-SD 4.07Å; L695-M699 VanDerWaalsContact O-CG 3.26Å; L695-M699 WeakPolarHBondContact O-CG 3.25Å; L695-M699 PolarHBondContact O-N 2.86Å
696	K	89.1	Confident	85.5	Confident	132 Å²	132	51.2 Å²	51.2	57%	0.574	29%	0.287	S	S	*	.	H	α-helix	trans	-57.8	-39.3	175.2	-177.9	-178.2	177.5	-175.6	0	111.9	L692 V694 M699 V700	L692-K696 VanDerWaalsContact O-CB 3.29Å; L692-K696 WeakPolarHBondContact O-CB 3.27Å; L692-K696 PolarHBondContact O-N 2.9Å; L692-K696 VanDerWaalsContact O-N 3.12Å; V694-K696 PolarHBondContact O-N 2.96Å; K696-M699 PolarHBondContact O-N 3.02Å; K696-V700 WeakPolarHBondContact O-CG2 3.5Å; K696-V700 PolarHBondContact O-N 2.76Å; K696-V700 VanDerWaalsContact O-N 3.1Å
697	S	89.3	Confident	84.6	Confident	28 Å²	28	54.5 Å²	54.5	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-41.8	179.2	-57.1	0	0	0	0	112.1	S693 V694 L695 M699 V700 Q701	S693-S697 WeakPolarHBondContact O-CB 3.48Å; S693-S697 PolarHBondContact O-N 3.38Å; S693-S697 PolarHBondContact O-OG 2.79Å; V694-S697 WeakPolarHBondContact O-CB 3.15Å; V694-S697 PolarHBondContact O-N 3.11Å; V694-S697 VanDerWaalsContact O-N 3.12Å; L695-S697 PolarHBondContact O-N 3.46Å; S697-M699 VanDerWaalsContact C-N 3.34Å; S697-M699 PolarHBondContact O-N 3.4Å; S697-V700 PolarHBondContact O-N 2.78Å; S697-Q701 PolarHBondContact O-N 3.16Å
698	A	88.8	Confident	84.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-45.1	173.2	0	0	0	0	0	111.5	F606 Y652 V694 L695 V700 Q701 G702	F606-A698 HydrophobicContact CB-CB 4.13Å; F606-A698 HydrophobicContact CD1-CB 3.57Å; F606-A698 HydrophobicContact CD2-CB 4.41Å; F606-A698 HydrophobicContact CE1-CB 4.02Å; F606-A698 HydrophobicContact CG-CB 3.78Å; Y652-A698 WeakPolarHBondContact OH-CB 3.42Å; V694-A698 PolarHBondContact O-N 3.01Å; L695-A698 PolarHBondContact O-N 2.94Å; A698-V700 VanDerWaalsContact C-N 3.33Å; A698-V700 PolarHBondContact O-N 3.38Å; A698-Q701 PolarHBondContact O-N 3.43Å; A698-G702 PolarHBondContact O-N 2.93Å
699	M	87.3	Confident	83.8	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-28.9	179.3	-65.4	178.5	71.1	0	0	113.6	Y652 L695 K696 S697 R704 Y708 P709	Y652-M699 HydrophobicContact CD1-CE 4.22Å; Y652-M699 HydrophobicContact CD1-CG 3.54Å; Y652-M699 HydrophobicContact CD1-SD 3.91Å; Y652-M699 HydrophobicContact CD2-CG 4.12Å; Y652-M699 HydrophobicContact CE1-CG 3.69Å; Y652-M699 HydrophobicContact CE1-SD 4.33Å; Y652-M699 HydrophobicContact CE2-CG 4.24Å; Y652-M699 HydrophobicContact CG-CE 4.32Å; Y652-M699 HydrophobicContact CG-CG 3.79Å; Y652-M699 HydrophobicContact CG-SD 4.47Å; L695-M699 HydrophobicContact CD1-CG 4.2Å; L695-M699 HydrophobicContact CD1-SD 3.95Å; L695-M699 HydrophobicContact CG-SD 4.07Å; L695-M699 VanDerWaalsContact O-CG 3.26Å; L695-M699 WeakPolarHBondContact O-CG 3.25Å; L695-M699 PolarHBondContact O-N 2.86Å; K696-M699 PolarHBondContact O-N 3.02Å; S697-M699 VanDerWaalsContact C-N 3.34Å; S697-M699 PolarHBondContact O-N 3.4Å; M699-R704 WeakPolarHBondContact O-CB 3.33Å; M699-R704 PolarHBondContact O-N 2.85Å; M699-Y708 HydrophobicContact CB-CD1 4.26Å; M699-Y708 HydrophobicContact CB-CE1 4.34Å; M699-Y708 HydrophobicContact CE-CD1 4.22Å; M699-P709 HydrophobicContact CE-CG 3.83Å
700	V	86.1	Confident	83.6	Confident	79 Å²	79	57.4 Å²	57.4	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-72.8	-41.1	171	169	0	0	0	0	110.9	K696 S697 A698 C703 Y708	K696-V700 WeakPolarHBondContact O-CG2 3.5Å; K696-V700 PolarHBondContact O-N 2.76Å; K696-V700 VanDerWaalsContact O-N 3.1Å; S697-V700 PolarHBondContact O-N 2.78Å; A698-V700 VanDerWaalsContact C-N 3.33Å; A698-V700 PolarHBondContact O-N 3.38Å; V700-C703 PolarHBondContact O-N 3.39Å; V700-Y708 HydrophobicContact CG2-CE2 4.11Å
701	Q	81.4	Confident	83.5	Confident	126 Å²	126	60 Å²	60	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-71.3	-33.6	179.7	-174.5	167.9	-30.4	0	0	112.6	S697 A698 C703	S697-Q701 PolarHBondContact O-N 3.16Å; A698-Q701 PolarHBondContact O-N 3.43Å; Q701-C703 PolarHBondContact O-N 3.46Å
702	G	76.7	Confident	83.3	Confident	24 Å²	24	63.2 Å²	63.2	25%	0.247	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	23.6	172	0	0	0	0	0	115.3	D629 A698 R704	D629-G702 WeakPolarHBondContact O-CA 3.32Å; A698-G702 PolarHBondContact O-N 2.93Å; G702-R704 PolarHBondContact O-N 2.85Å
703	C	63.9	Low	83.1	Confident	117 Å²	117	66.5 Å²	66.5	79%	0.791	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	20.5	175.2	-65.4	0	0	0	0	116.3	V700 Q701 E705	V700-C703 PolarHBondContact O-N 3.39Å; Q701-C703 PolarHBondContact O-N 3.46Å; C703-E705 PolarHBondContact O-N 2.73Å
704	R	72	Confident	82.6	Confident	55 Å²	55	68 Å²	68	21%	0.208	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-72.9	121.8	178	174.1	173.8	168.9	165.5	1.1	110.8	Y652 M699 G702 P707 Y708	Y652-R704 PolarHBondContact O-NH1 3.24Å; M699-R704 WeakPolarHBondContact O-CB 3.33Å; M699-R704 PolarHBondContact O-N 2.85Å; G702-R704 PolarHBondContact O-N 2.85Å; R704-P707 PolarHBondContact NH2-O 3.42Å; R704-Y708 HydrophobicContact CB-CE1 4.23Å; R704-Y708 HydrophobicContact CG-CD1 4.37Å; R704-Y708 HydrophobicContact CG-CE1 4.1Å; R704-Y708 VanDerWaalsContact O-CE1 3.29Å; R704-Y708 WeakPolarHBondContact O-CE1 3.4Å; R704-Y708 PolarHBondContact O-OH 3.49Å
705	E	68.3	Low	82.4	Confident	168 Å²	168	68.2 Å²	68.2	79%	0.785	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-65.9	142.7	169.5	-63.2	-170.1	160.3	0	0	111.5	C703	C703-E705 PolarHBondContact O-N 2.73Å
706	P	72.4	Confident	82.1	Confident	98 Å²	98	71.3 Å²	71.3	64%	0.636	40%	0.404	S	S	*	.	S	Bend	trans	-68	151.9	174.9	29.2	-34.9	0	0	0	111.4	Y708	P706-Y708 HydrophobicContact CB-CE2 4.29Å
707	P	73.6	Confident	81.9	Confident	110 Å²	110	72.2 Å²	72.2	71%	0.714	41%	0.413	S	S	*	.	P	Polyproline II helix	cis	-81.4	140.5	14	30.8	-35.4	0	0	0	114.9	R704	R704-P707 PolarHBondContact NH2-O 3.42Å
708	Y	82.9	Confident	81.8	Confident	78 Å²	78	72.4 Å²	72.4	31%	0.306	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-76	155.8	163.4	-56.3	-58.7	0	0	0	110.2	M699 V700 R704 P706	M699-Y708 HydrophobicContact CB-CD1 4.26Å; M699-Y708 HydrophobicContact CB-CE1 4.34Å; M699-Y708 HydrophobicContact CE-CD1 4.22Å; V700-Y708 HydrophobicContact CG2-CE2 4.11Å; R704-Y708 HydrophobicContact CB-CE1 4.23Å; R704-Y708 HydrophobicContact CG-CD1 4.37Å; R704-Y708 HydrophobicContact CG-CE1 4.1Å; R704-Y708 VanDerWaalsContact O-CE1 3.29Å; R704-Y708 WeakPolarHBondContact O-CE1 3.4Å; R704-Y708 PolarHBondContact O-OH 3.49Å; P706-Y708 HydrophobicContact CB-CE2 4.29Å
709	P	84.1	Confident	81.8	Confident	17 Å²	17	77.6 Å²	77.6	11%	0.11	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-55.2	142.9	179.2	-26.7	37.3	0	0	0	112.2	L655 M699	L655-P709 HydrophobicContact CB-CG 4.05Å; L655-P709 HydrophobicContact CD2-CB 4.34Å; L655-P709 HydrophobicContact CD2-CG 3.92Å; L655-P709 HydrophobicContact CG-CB 4.1Å; L655-P709 HydrophobicContact CG-CG 3.84Å; M699-P709 HydrophobicContact CE-CG 3.83Å
710	A	86.8	Confident	81.9	Confident	56 Å²	56	82 Å²	82	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.2	176.4	0	0	0	0	0	110.6	Y657 L658	Y657-A710 CarbonylContact C-O 3.58Å; Y657-A710 WeakPolarHBondContact CA-O 3.47Å; Y657-A710 WeakPolarHBondContact CB-O 3.47Å; L658-A710 PolarHBondContact N-O 3.36Å
711	V	90.9	Very high	82	Confident	69 Å²	69	79.2 Å²	79.2	42%	0.418	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.1	169.4	-172.9	0	0	0	0	107.9	L658 V660 L692 T713	L658-V711 HydrophobicContact CB-CG1 4.49Å; L658-V711 HydrophobicContact CB-CG2 4.32Å; L658-V711 HydrophobicContact CD1-CG2 4.01Å; L658-V711 WeakPolarHBondContact O-CA 3.38Å; V660-V711 HydrophobicContact CG2-CG1 3.89Å; L692-V711 HydrophobicContact CD1-CG1 4.2Å; L692-V711 HydrophobicContact CD2-CG1 4.22Å; L692-V711 HydrophobicContact CD2-CG2 4.36Å; V711-T713 HydrophobicContact CG1-CG2 4.07Å
712	L	89.9	Confident	82.5	Confident	67 Å²	67	73.2 Å²	73.2	35%	0.351	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.6	174.2	-55.5	-176.7	0	0	0	108.8	Y657 L658 V660	Y657-L712 HydrophobicContact CD2-CD1 3.57Å; Y657-L712 HydrophobicContact CD2-CG 4.02Å; Y657-L712 HydrophobicContact CE2-CD1 3.64Å; Y657-L712 HydrophobicContact CG-CD1 4.36Å; L658-L712 PolarHBondContact O-N 2.97Å; V660-L712 PolarHBondContact N-O 3.38Å
713	T	88.5	Confident	83.2	Confident	103 Å²	103	73.4 Å²	73.4	63%	0.632	41%	0.408	S	S	*	.			trans	-127.3	9.7	-176.5	57.9	0	0	0	0	112.9	V660 V711	V660-T713 HydrophobicContact CB-CG2 4.25Å; V660-T713 HydrophobicContact CG2-CG2 4.12Å; V711-T713 HydrophobicContact CG1-CG2 4.07Å
714	D	80.8	Confident	84.4	Confident	87 Å²	87	73.6 Å²	73.6	47%	0.465	40%	0.396	S	S	.	.			trans	-80.1	-24.9	-177.7	65.2	-72.4	0	0	0	113.3	T716	D714-T716 PolarHBondContact O-N 2.7Å; D714-T716 WeakPolarHBondContact OD2-CB 3.15Å; D714-T716 PolarHBondContact OD2-N 2.76Å; D714-T716 PolarHBondContact OD2-OG1 3.03Å
715	A	85.9	Confident	85.3	Confident	10 Å²	10	71.7 Å²	71.7	8%	0.083	39%	0.389	C	S	.	.			trans	47.5	26.8	-177.6	0	0	0	0	0	114.5	L662 M717 E718 K719	L662-A715 HydrophobicContact CD2-CB 4.12Å; L662-A715 HydrophobicContact CG-CB 4.27Å; A715-M717 VanDerWaalsContact C-N 3.32Å; A715-M717 PolarHBondContact O-N 2.83Å; A715-M717 VanDerWaalsContact O-N 3.14Å; A715-E718 PolarHBondContact O-N 2.97Å; A715-E718 VanDerWaalsContact O-N 3.09Å; A715-K719 WeakPolarHBondContact O-CB 3.44Å; A715-K719 PolarHBondContact O-N 3.03Å
716	T	86.1	Confident	86.4	Confident	69 Å²	69	63.8 Å²	63.8	42%	0.423	35%	0.352	S	S	.	.	H	α-helix	trans	-57.7	-41.3	-162.4	-63.4	0	0	0	0	113.3	D714 L720	D714-T716 PolarHBondContact O-N 2.7Å; D714-T716 WeakPolarHBondContact OD2-CB 3.15Å; D714-T716 PolarHBondContact OD2-N 2.76Å; D714-T716 PolarHBondContact OD2-OG1 3.03Å; T716-L720 HydrophobicContact CG2-CD1 3.87Å; T716-L720 HydrophobicContact CG2-CG 4.39Å; T716-L720 WeakPolarHBondContact O-CB 3.38Å; T716-L720 VanDerWaalsContact O-CG 3.22Å; T716-L720 WeakPolarHBondContact O-CG 3.35Å; T716-L720 PolarHBondContact O-N 2.72Å
717	M	85.1	Confident	87.2	Confident	151 Å²	151	59.7 Å²	59.7	74%	0.744	33%	0.326	S	S	*	.	H	α-helix	trans	-67.8	-41.8	-179.2	-68.5	-57.4	-56.4	0	0	112.7	A715 L720 A721	A715-M717 VanDerWaalsContact C-N 3.32Å; A715-M717 PolarHBondContact O-N 2.83Å; A715-M717 VanDerWaalsContact O-N 3.14Å; M717-L720 PolarHBondContact O-N 2.84Å; M717-A721 WeakPolarHBondContact O-CB 3.5Å; M717-A721 PolarHBondContact O-N 3.45Å
718	E	86.6	Confident	87.9	Confident	32 Å²	32	60.1 Å²	60.1	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-45.5	177.2	-171.9	174.6	-134	0	0	110.3	G661 L662 A715 L720 A721 L722	G661-E718 VanDerWaalsContact CA-OE2 3.29Å; G661-E718 WeakPolarHBondContact CA-OE2 3.44Å; L662-E718 HydrophobicContact CD1-CG 3.82Å; L662-E718 HydrophobicContact CG-CB 4.38Å; L662-E718 HydrophobicContact CG-CG 3.97Å; L662-E718 WeakPolarHBondContact CG-OE2 3.49Å; L662-E718 PolarHBondContact N-OE2 2.77Å; A715-E718 PolarHBondContact O-N 2.97Å; A715-E718 VanDerWaalsContact O-N 3.09Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 2.96Å; E718-A721 PolarHBondContact O-N 3.13Å; E718-L722 WeakPolarHBondContact O-CB 3.4Å; E718-L722 PolarHBondContact O-N 3.4Å
719	K	88.6	Confident	88.1	Confident	109 Å²	109	59.1 Å²	59.1	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-41.7	175	-165.6	165.5	-172.3	160.7	0	113	L662 A715 N723	L662-K719 HydrophobicContact CD2-CB 3.91Å; L662-K719 HydrophobicContact CD2-CD 4.34Å; L662-K719 HydrophobicContact CD2-CG 4.16Å; A715-K719 WeakPolarHBondContact O-CB 3.44Å; A715-K719 PolarHBondContact O-N 3.03Å; K719-N723 VanDerWaalsContact O-CB 3.25Å; K719-N723 WeakPolarHBondContact O-CB 3.49Å; K719-N723 VanDerWaalsContact O-CG 3.24Å; K719-N723 PolarHBondContact O-N 3.28Å
720	L	89	Confident	88	Confident	98 Å²	98	59.9 Å²	59.9	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-40.2	176.1	-75	170.4	0	0	0	112.4	T716 M717 E718 K724	T716-L720 HydrophobicContact CG2-CD1 3.87Å; T716-L720 HydrophobicContact CG2-CG 4.39Å; T716-L720 WeakPolarHBondContact O-CB 3.38Å; T716-L720 VanDerWaalsContact O-CG 3.22Å; T716-L720 WeakPolarHBondContact O-CG 3.35Å; T716-L720 PolarHBondContact O-N 2.72Å; M717-L720 PolarHBondContact O-N 2.84Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 2.96Å; L720-K724 WeakPolarHBondContact O-CB 3.37Å; L720-K724 PolarHBondContact O-N 3.22Å; L720-K724 VanDerWaalsContact O-N 3.14Å
721	A	89.3	Confident	87.9	Confident	19 Å²	19	65.3 Å²	65.3	16%	0.157	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-44.1	177.4	0	0	0	0	0	111.5	M717 E718 K724 F725 F907	M717-A721 WeakPolarHBondContact O-CB 3.5Å; M717-A721 PolarHBondContact O-N 3.45Å; E718-A721 PolarHBondContact O-N 3.13Å; A721-K724 WeakPolarHBondContact O-CB 3.47Å; A721-K724 PolarHBondContact O-N 2.98Å; A721-F725 PolarHBondContact O-N 3Å; A721-F907 HydrophobicContact CB-CE2 3.92Å; A721-F907 HydrophobicContact CB-CZ 4.45Å
722	L	90.3	Very high	87.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-45.6	178	-175.2	63.5	0	0	0	111.9	L662 E718 K724 F725 V726 I739 Y742 V889 F907	L662-L722 HydrophobicContact CD1-CB 4.29Å; L662-L722 HydrophobicContact CD1-CD2 3.41Å; L662-L722 VanDerWaalsContact CD1-CD2 3.41Å; L662-L722 HydrophobicContact CD1-CG 4.49Å; E718-L722 WeakPolarHBondContact O-CB 3.4Å; E718-L722 PolarHBondContact O-N 3.4Å; L722-K724 PolarHBondContact O-N 2.87Å; L722-F725 HydrophobicContact CD1-CD1 4.11Å; L722-F725 PolarHBondContact O-N 3.07Å; L722-F725 VanDerWaalsContact O-N 3.12Å; L722-V726 HydrophobicContact CD1-CG2 4.23Å; L722-V726 HydrophobicContact CG-CG2 4.3Å; L722-V726 WeakPolarHBondContact O-CB 3.49Å; L722-V726 WeakPolarHBondContact O-CG2 3.32Å; L722-V726 PolarHBondContact O-N 3.47Å; L722-I739 HydrophobicContact CB-CD1 4.3Å; L722-I739 HydrophobicContact CD2-CD1 3.54Å; L722-I739 HydrophobicContact CG-CD1 3.63Å; L722-Y742 HydrophobicContact CD2-CD2 3.65Å; L722-Y742 HydrophobicContact CD2-CE2 4.1Å; L722-V889 HydrophobicContact CD1-CG2 4.07Å; L722-V889 HydrophobicContact CD2-CG1 4.27Å; L722-V889 HydrophobicContact CD2-CG2 4.43Å; L722-F907 HydrophobicContact CB-CE1 4.41Å; L722-F907 HydrophobicContact CB-CZ 3.97Å; L722-F907 HydrophobicContact CD1-CD1 4.11Å; L722-F907 HydrophobicContact CD1-CE1 3.47Å; L722-F907 VanDerWaalsContact CD1-CE1 3.47Å; L722-F907 HydrophobicContact CD1-CZ 3.9Å
723	N	91.6	Very high	87.6	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.15	34%	0.343	C	S	.	.	H	α-helix	trans	-55.7	-39.3	173.4	-81.8	-3.2	0	0	0	111.7	K719 S727 V734 V737 I739	K719-N723 VanDerWaalsContact O-CB 3.25Å; K719-N723 WeakPolarHBondContact O-CB 3.49Å; K719-N723 VanDerWaalsContact O-CG 3.24Å; K719-N723 PolarHBondContact O-N 3.28Å; N723-S727 WeakPolarHBondContact O-CB 3.28Å; N723-S727 PolarHBondContact O-N 2.84Å; N723-S727 PolarHBondContact O-OG 2.74Å; N723-V734 HydrophobicContact CB-CG1 4.19Å; N723-V737 HydrophobicContact CB-CG1 4.35Å; N723-I739 WeakPolarHBondContact OD1-CD1 3.33Å
724	K	90.1	Very high	87.4	Confident	122 Å²	122	65.6 Å²	65.6	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-46.6	176	-178.1	-172.2	172.2	-165.4	0	111.7	L720 A721 L722 S727 Q728	L720-K724 WeakPolarHBondContact O-CB 3.37Å; L720-K724 PolarHBondContact O-N 3.22Å; L720-K724 VanDerWaalsContact O-N 3.14Å; A721-K724 WeakPolarHBondContact O-CB 3.47Å; A721-K724 PolarHBondContact O-N 2.98Å; L722-K724 PolarHBondContact O-N 2.87Å; K724-S727 PolarHBondContact O-N 2.79Å; K724-S727 PolarHBondContact O-OG 2.95Å; K724-Q728 WeakPolarHBondContact O-CG 3.35Å; K724-Q728 PolarHBondContact O-N 3.08Å
725	F	91	Very high	87.6	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-51	174.6	165.4	-117.5	0	0	0	111.7	A721 L722 S727 Q728 E729 C898 F907	A721-F725 PolarHBondContact O-N 3Å; L722-F725 HydrophobicContact CD1-CD1 4.11Å; L722-F725 PolarHBondContact O-N 3.07Å; L722-F725 VanDerWaalsContact O-N 3.12Å; F725-S727 VanDerWaalsContact C-N 3.29Å; F725-S727 PolarHBondContact O-N 3.02Å; F725-Q728 WeakPolarHBondContact O-CB 3.48Å; F725-Q728 PolarHBondContact O-N 2.86Å; F725-E729 HydrophobicContact CE2-CB 4.32Å; F725-E729 HydrophobicContact CZ-CB 4.46Å; F725-E729 HydrophobicContact CZ-CG 4.48Å; F725-E729 PolarHBondContact O-N 3.13Å; F725-C898 HydrophobicContact CE1-CB 3.75Å; F725-C898 HydrophobicContact CZ-CB 3.96Å; F725-F907 HydrophobicContact CB-CB 3.81Å; F725-F907 HydrophobicContact CB-CD1 4.31Å; F725-F907 HydrophobicContact CB-CD2 3.63Å; F725-F907 HydrophobicContact CB-CE2 4.26Å; F725-F907 HydrophobicContact CB-CG 3.65Å; F725-F907 HydrophobicContact CD1-CB 3.75Å; F725-F907 AromaticContact CD1-CD1 3.78Å; F725-F907 HydrophobicContact CD1-CD1 3.78Å; F725-F907 AromaticContact CD1-CG 3.8Å; F725-F907 HydrophobicContact CD1-CG 3.8Å; F725-F907 HydrophobicContact CD2-CB 3.42Å; F725-F907 VanDerWaalsContact CD2-CB 3.42Å; F725-F907 HydrophobicContact CD2-CG 4.2Å; F725-F907 HydrophobicContact CE1-CB 4.17Å; F725-F907 HydrophobicContact CE1-CD1 4.36Å; F725-F907 HydrophobicContact CE2-CB 3.88Å; F725-F907 HydrophobicContact CG-CB 3.34Å; F725-F907 HydrophobicContact CG-CD1 4.09Å; F725-F907 HydrophobicContact CG-CD2 4.12Å; F725-F907 AromaticContact CG-CG 3.6Å; F725-F907 HydrophobicContact CG-CG 3.6Å; F725-F907 HydrophobicContact CZ-CB 4.24Å
726	V	90.3	Very high	87.5	Confident	2 Å²	2	72 Å²	72	1%	0.012	37%	0.372	C	S	.	.	H	α-helix	trans	-58.3	-40.5	179.6	173	0	0	0	0	111.5	L722 Q728 E729 S730 V737 I739 V889 T891 L896	L722-V726 HydrophobicContact CD1-CG2 4.23Å; L722-V726 HydrophobicContact CG-CG2 4.3Å; L722-V726 WeakPolarHBondContact O-CB 3.49Å; L722-V726 WeakPolarHBondContact O-CG2 3.32Å; L722-V726 PolarHBondContact O-N 3.47Å; V726-Q728 VanDerWaalsContact C-N 3.29Å; V726-Q728 PolarHBondContact O-N 2.98Å; V726-E729 PolarHBondContact O-N 2.89Å; V726-S730 WeakPolarHBondContact O-CB 3.42Å; V726-S730 PolarHBondContact O-N 2.88Å; V726-S730 PolarHBondContact O-OG 2.89Å; V726-V737 HydrophobicContact CB-CG1 3.93Å; V726-V737 HydrophobicContact CG1-CG1 3.56Å; V726-V737 HydrophobicContact CG1-CG2 4.16Å; V726-I739 HydrophobicContact CG2-CD1 4.38Å; V726-V889 HydrophobicContact CG2-CG1 4.25Å; V726-T891 HydrophobicContact CG1-CG2 3.65Å; V726-L896 HydrophobicContact CG1-CD1 4.27Å; V726-L896 HydrophobicContact CG2-CD1 4.01Å
727	S	90.8	Very high	87.6	Confident	11 Å²	11	69.7 Å²	69.7	8%	0.077	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-35.7	176	73.9	0	0	0	0	113	N723 K724 F725 H731 C732 V734	N723-S727 WeakPolarHBondContact O-CB 3.28Å; N723-S727 PolarHBondContact O-N 2.84Å; N723-S727 PolarHBondContact O-OG 2.74Å; K724-S727 PolarHBondContact O-N 2.79Å; K724-S727 PolarHBondContact O-OG 2.95Å; F725-S727 VanDerWaalsContact C-N 3.29Å; F725-S727 PolarHBondContact O-N 3.02Å; S727-H731 WeakPolarHBondContact O-CA 3.36Å; S727-H731 PolarHBondContact O-N 2.92Å; S727-C732 PolarHBondContact O-N 2.88Å; S727-C732 VanDerWaalsContact O-N 3.1Å; S727-V734 WeakPolarHBondContact OG-CG2 3.24Å
728	Q	87.6	Confident	87.7	Confident	120 Å²	120	64.7 Å²	64.7	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-72.3	-44.8	178.3	-69.1	176.4	-17	0	0	111.2	K724 F725 V726 H731	K724-Q728 WeakPolarHBondContact O-CG 3.35Å; K724-Q728 PolarHBondContact O-N 3.08Å; F725-Q728 WeakPolarHBondContact O-CB 3.48Å; F725-Q728 PolarHBondContact O-N 2.86Å; V726-Q728 VanDerWaalsContact C-N 3.29Å; V726-Q728 PolarHBondContact O-N 2.98Å; Q728-H731 PolarHBondContact O-CE1 2.94Å; Q728-H731 PolarHBondContact O-N 2.83Å; Q728-H731 PolarHBondContact O-ND1 3.35Å
729	E	86.4	Confident	87.9	Confident	56 Å²	56	65.1 Å²	65.1	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-71.7	-33.5	-178.6	-164.3	71.9	174	0	0	112.8	F725 V726 R894 L896 S909	F725-E729 HydrophobicContact CE2-CB 4.32Å; F725-E729 HydrophobicContact CZ-CB 4.46Å; F725-E729 HydrophobicContact CZ-CG 4.48Å; F725-E729 PolarHBondContact O-N 3.13Å; V726-E729 PolarHBondContact O-N 2.89Å; E729-R894 PolarHBondContact O-NH1 2.87Å; E729-L896 HydrophobicContact CG-CD2 4.05Å; E729-S909 WeakPolarHBondContact OE1-CB 3.41Å; E729-S909 PolarHBondContact OE1-OG 2.95Å
730	S	83.1	Confident	88	Confident	34 Å²	34	62.5 Å²	62.5	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-90.9	-6.3	176.3	62.9	0	0	0	0	114.5	V726 C732	V726-S730 WeakPolarHBondContact O-CB 3.42Å; V726-S730 PolarHBondContact O-N 2.88Å; V726-S730 PolarHBondContact O-OG 2.89Å; S730-C732 VanDerWaalsContact C-N 3.35Å; S730-C732 PolarHBondContact O-N 3.21Å; S730-C732 PolarHBondContact OG-SG 2.83Å
731	H	84.8	Confident	88.2	Confident	170 Å²	170	58.2 Å²	58.2	79%	0.787	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	37.6	-179.1	-51.7	-19.5	0	0	0	114.5	S727 Q728	S727-H731 WeakPolarHBondContact O-CA 3.36Å; S727-H731 PolarHBondContact O-N 2.92Å; Q728-H731 PolarHBondContact O-CE1 2.94Å; Q728-H731 PolarHBondContact O-N 2.83Å; Q728-H731 PolarHBondContact O-ND1 3.35Å
732	C	87.1	Confident	88.4	Confident	35 Å²	35	57.3 Å²	57.3	24%	0.236	30%	0.3	C	S	.	.	S	Bend	trans	-115.6	176.5	177.5	70.4	0	0	0	0	112.4	S727 S730 E736	S727-C732 PolarHBondContact O-N 2.88Å; S727-C732 VanDerWaalsContact O-N 3.1Å; S730-C732 VanDerWaalsContact C-N 3.35Å; S730-C732 PolarHBondContact O-N 3.21Å; S730-C732 PolarHBondContact OG-SG 2.83Å; C732-E736 HydrophobicContact CB-CB 4.42Å; C732-E736 WeakPolarHBondContact CB-OE2 3.28Å
733	E	85.9	Confident	88.6	Confident	138 Å²	138	57.3 Å²	57.3	65%	0.645	30%	0.3	S	S	*	.			trans	-77.5	147.3	171.9	-66.9	-166	179.6	0	0	111.7	S735 E736	E733-S735 PolarHBondContact O-N 2.79Å; E733-E736 HydrophobicContact CB-CG 4.24Å; E733-E736 PolarHBondContact N-OE2 2.88Å; E733-E736 VanDerWaalsContact N-OE2 3.17Å; E733-E736 WeakPolarHBondContact O-CB 3.46Å; E733-E736 PolarHBondContact O-N 2.96Å
734	V	85.8	Confident	88.7	Confident	72 Å²	72	56.1 Å²	56.1	44%	0.436	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	179.6	-174.6	0	0	0	0	112.8	N723 S727	N723-V734 HydrophobicContact CB-CG1 4.19Å; S727-V734 WeakPolarHBondContact OG-CG2 3.24Å
735	S	84.1	Confident	88.8	Confident	118 Å²	118	50.3 Å²	50.3	83%	0.825	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.5	177.4	-55.7	0	0	0	0	114.1	E733	E733-S735 PolarHBondContact O-N 2.79Å
736	E	84.4	Confident	88.7	Confident	114 Å²	114	50.8 Å²	50.8	53%	0.533	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.6	175.2	-60.3	-179.3	133.8	0	0	112.2	C732 E733 S738	C732-E736 HydrophobicContact CB-CB 4.42Å; C732-E736 WeakPolarHBondContact CB-OE2 3.28Å; E733-E736 HydrophobicContact CB-CG 4.24Å; E733-E736 PolarHBondContact N-OE2 2.88Å; E733-E736 VanDerWaalsContact N-OE2 3.17Å; E733-E736 WeakPolarHBondContact O-CB 3.46Å; E733-E736 PolarHBondContact O-N 2.96Å; E736-S738 PolarHBondContact O-N 2.82Å
737	V	86.9	Confident	88.7	Confident	19 Å²	19	51.3 Å²	51.3	12%	0.115	27%	0.273	C	S	.	.			trans	-71.3	113.9	179.8	176.3	0	0	0	0	110.7	N723 V726 I739	N723-V737 HydrophobicContact CB-CG1 4.35Å; V726-V737 HydrophobicContact CB-CG1 3.93Å; V726-V737 HydrophobicContact CG1-CG1 3.56Å; V726-V737 HydrophobicContact CG1-CG2 4.16Å; V737-I739 HydrophobicContact CG1-CG1 3.97Å
738	S	87.6	Confident	88.4	Confident	47 Å²	47	51.5 Å²	51.5	33%	0.329	27%	0.272	S	S	.	.			trans	-113.3	98.6	171.4	-167.3	0	0	0	0	110.1	E736 Q740 T891 D892	E736-S738 PolarHBondContact O-N 2.82Å; S738-Q740 PolarHBondContact OG-NE2 3.13Å; S738-T891 CarbonylContact O-C 3.44Å; S738-T891 VanDerWaalsContact O-CA 3.27Å; S738-T891 WeakPolarHBondContact O-CA 3.43Å; S738-D892 PolarHBondContact O-N 2.83Å
739	I	91.1	Very high	87.7	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.205	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.8	169.9	-56.8	-178.9	0	0	0	108.2	L722 N723 V726 V737 V889	L722-I739 HydrophobicContact CB-CD1 4.3Å; L722-I739 HydrophobicContact CD2-CD1 3.54Å; L722-I739 HydrophobicContact CG-CD1 3.63Å; N723-I739 WeakPolarHBondContact OD1-CD1 3.33Å; V726-I739 HydrophobicContact CG2-CD1 4.38Å; V737-I739 HydrophobicContact CG1-CG1 3.97Å; I739-V889 HydrophobicContact CD1-CG1 4.34Å; I739-V889 HydrophobicContact CG1-CG1 4.39Å; I739-V889 HydrophobicContact CG2-CG1 3.96Å
740	Q	91.2	Very high	86.6	Confident	55 Å²	55	46 Å²	46	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-24.8	-178.2	-60.6	-71.1	-33.8	0	0	112.1	S738 V890 T965	S738-Q740 PolarHBondContact OG-NE2 3.13Å; Q740-V890 HydrophobicContact CB-CG1 4.4Å; Q740-V890 PolarHBondContact N-O 2.88Å; Q740-T965 HydrophobicContact CB-CG2 4.19Å; Q740-T965 HydrophobicContact CG-CG2 3.7Å
741	L	92.8	Very high	85.3	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	143.6	175.2	-174.3	73.1	0	0	0	111.1	D663 V889 V890 R957 L958 A961	D663-L741 WeakPolarHBondContact OD2-CA 3.3Å; L741-V889 WeakPolarHBondContact O-CA 3.46Å; L741-V890 HydrophobicContact CB-CB 3.9Å; L741-V890 HydrophobicContact CB-CG2 3.83Å; L741-V890 HydrophobicContact CD2-CG2 3.99Å; L741-V890 HydrophobicContact CG-CG2 4.5Å; L741-V890 PolarHBondContact N-O 2.8Å; L741-V890 PolarHBondContact O-N 2.94Å; L741-R957 HydrophobicContact CD1-CG 3.91Å; L741-L958 HydrophobicContact CD2-CB 3.98Å; L741-L958 HydrophobicContact CD2-CD1 3.68Å; L741-L958 HydrophobicContact CD2-CG 4.46Å; L741-A961 HydrophobicContact CB-CB 3.89Å; L741-A961 HydrophobicContact CD2-CB 4.09Å; L741-A961 HydrophobicContact CG-CB 4.45Å
742	Y	93.9	Very high	83.8	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	161.8	179.2	-96.2	0	0	0	110	M616 L662 D663 Q665 L722 C887 V889 R957	M616-Y742 WeakPolarHBondContact CE-OH 3.48Å; L662-Y742 HydrophobicContact CB-CD1 3.48Å; L662-Y742 VanDerWaalsContact CB-CD1 3.48Å; L662-Y742 HydrophobicContact CB-CE1 4Å; L662-Y742 HydrophobicContact CB-CG 3.82Å; L662-Y742 HydrophobicContact CD1-CD1 4.44Å; L662-Y742 HydrophobicContact CD1-CD2 4.16Å; L662-Y742 HydrophobicContact CD1-CG 4.11Å; D663-Y742 VanDerWaalsContact CB-O 3.26Å; D663-Y742 WeakPolarHBondContact CB-O 3.34Å; D663-Y742 PolarHBondContact OD2-N 3.3Å; Q665-Y742 HydrophobicContact CB-CD1 4.22Å; Q665-Y742 HydrophobicContact CB-CE1 4.09Å; Q665-Y742 HydrophobicContact CG-CD1 3.91Å; Q665-Y742 HydrophobicContact CG-CE1 4.25Å; Q665-Y742 WeakPolarHBondContact CG-O 3.2Å; L722-Y742 HydrophobicContact CD2-CD2 3.65Å; L722-Y742 HydrophobicContact CD2-CE2 4.1Å; Y742-C887 HydrophobicContact CE2-CB 3.83Å; Y742-C887 PolarHBondContact OH-SG 3.41Å; Y742-V889 HydrophobicContact CD2-CG2 4.28Å; Y742-R957 PolarHBondContact O-NH2 2.85Å
743	S	94	Very high	82	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.9	-177.2	-156.9	0	0	0	0	111.2	L888	S743-L888 PolarHBondContact N-O 3.26Å; S743-L888 PolarHBondContact O-N 2.68Å
744	L	92.8	Very high	79.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.8	167.3	-65.9	178.4	0	0	0	109.2	H615 M616 Q665 T666 D681 A683	H615-L744 HydrophobicContact CB-CD1 4.25Å; M616-L744 HydrophobicContact CG-CD2 3.7Å; Q665-L744 HydrophobicContact CB-CD1 4.21Å; Q665-L744 HydrophobicContact CB-CG 4.07Å; T666-L744 HydrophobicContact CG2-CD1 3.91Å; D681-L744 HydrophobicContact CB-CD1 4.02Å; A683-L744 HydrophobicContact CB-CB 3.65Å; A683-L744 HydrophobicContact CB-CD1 4.09Å; A683-L744 HydrophobicContact CB-CG 4.48Å
745	V	92.6	Very high	77.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.6	-174.5	-52.6	0	0	0	0	111.3	H615 C886 L888 L947 F949	H615-V745 PolarHBondContact CE1-O 3.04Å; V745-C886 PolarHBondContact N-O 2.99Å; V745-C886 PolarHBondContact O-N 3.24Å; V745-C886 VanDerWaalsContact O-O 3.05Å; V745-L888 HydrophobicContact CG1-CB 3.94Å; V745-L888 HydrophobicContact CG1-CD2 3.97Å; V745-L888 HydrophobicContact CG2-CB 3.72Å; V745-L888 HydrophobicContact CG2-CD2 4.42Å; V745-L947 HydrophobicContact CG2-CD2 4.02Å; V745-F949 HydrophobicContact CB-CE1 4.47Å; V745-F949 HydrophobicContact CG1-CD1 3.77Å; V745-F949 HydrophobicContact CG1-CE1 3.47Å; V745-F949 VanDerWaalsContact CG1-CE1 3.47Å; V745-F949 HydrophobicContact CG1-CZ 4.24Å
746	H	89.9	Confident	75	Confident	25 Å²	25	49.3 Å²	49.3	12%	0.116	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.4	166.4	-59	53.3	0	0	0	108.7	H615 L620 C883 I884 L947 Y948 M995	H615-H746 AromaticContact CE1-CE1 4Å; H615-H746 AromaticContact CE1-ND1 3.99Å; H615-H746 AromaticContact NE2-CE1 3.32Å; H615-H746 PolarHBondContact NE2-CE1 3.43Å; H615-H746 VanDerWaalsContact NE2-CE1 3.32Å; H615-H746 AromaticContact NE2-ND1 3.6Å; L620-H746 WeakPolarHBondContact CD2-NE2 3.24Å; H746-C883 HydrophobicContact CB-CB 3.92Å; H746-I884 WeakPolarHBondContact CA-O 3.47Å; H746-L947 WeakPolarHBondContact O-CA 3.47Å; H746-Y948 PolarHBondContact N-O 2.89Å; H746-Y948 PolarHBondContact O-N 3Å; H746-M995 HydrophobicContact CB-CE 3.9Å; H746-M995 HydrophobicContact CB-SD 4.09Å; H746-M995 VanDerWaalsContact CG-CE 3.43Å
747	W	89.9	Confident	72.8	Confident	14 Å²	14	50.1 Å²	50.1	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.3	-177.5	171.7	68.3	0	0	0	110.4	D749 P750 C883 I884 T897 L910 W945 L947	W747-D749 HydrophobicContact CZ3-CB 4.27Å; W747-D749 PolarHBondContact O-N 2.91Å; W747-P750 VanDerWaalsContact CZ2-CD 3.45Å; W747-P750 HydrophobicContact CZ2-CG 4.19Å; W747-C883 CarbonylContact O-C 3.48Å; W747-C883 WeakPolarHBondContact O-CA 3.45Å; W747-I884 HydrophobicContact CE3-CD1 4.42Å; W747-I884 HydrophobicContact CZ3-CD1 4.38Å; W747-I884 PolarHBondContact N-O 3.15Å; W747-I884 PolarHBondContact O-N 3.49Å; W747-T897 HydrophobicContact CB-CG2 4.49Å; W747-T897 HydrophobicContact CG-CG2 4.28Å; W747-L910 HydrophobicContact CE3-CB 4.43Å; W747-L910 HydrophobicContact CE3-CD1 4.03Å; W747-L910 HydrophobicContact CZ3-CB 4Å; W747-L910 HydrophobicContact CZ3-CD1 4.23Å; W747-W945 AromaticContact NE1-CD1 3.58Å; W747-W945 AromaticContact NE1-CD2 3.42Å; W747-W945 AromaticContact NE1-CE2 3.7Å; W747-W945 AromaticContact NE1-CE3 3.98Å; W747-W945 AromaticContact NE1-CG 3.37Å; W747-W945 AromaticContact NE1-NE1 3.77Å; W747-L947 HydrophobicContact CB-CD2 4.02Å; W747-L947 HydrophobicContact CG-CD2 4.24Å
748	E	85.5	Confident	70.4	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.065	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	116.3	178.6	-155.8	-174.7	111.7	0	0	110.7	P750 P882 V946 Y948 R987	E748-P750 WeakPolarHBondContact O-CD 3.16Å; E748-P882 WeakPolarHBondContact CA-O 3.46Å; E748-P882 HydrophobicContact CG-CB 4.13Å; E748-P882 HydrophobicContact CG-CG 4.37Å; E748-V946 HydrophobicContact CB-CB 3.95Å; E748-V946 PolarHBondContact N-O 2.91Å; E748-Y948 HydrophobicContact CB-CE2 4.3Å; E748-Y948 PolarHBondContact OE2-OH 2.94Å; E748-R987 IonicContact OE1-CZ 3.73Å; E748-R987 IonicContact OE1-NH1 2.66Å; E748-R987 PolarHBondContact OE1-NH1 2.61Å; E748-R987 IonicContact OE1-NH2 3.47Å; E748-R987 PolarHBondContact OE1-NH2 3.14Å; E748-R987 IonicContact OE2-CZ 2.92Å; E748-R987 IonicContact OE2-NH1 3.77Å; E748-R987 IonicContact OE2-NH2 2.87Å; E748-R987 PolarHBondContact OE2-NH2 3.09Å; E748-R987 VanDerWaalsContact OE2-NH2 3.09Å
749	D	71.7	Confident	67.9	Low	44 Å²	44	59.9 Å²	59.9	24%	0.235	34%	0.343	C	S	.	.			trans	-67.5	112.6	-178.2	-175.8	-17.1	0	0	0	110.1	W747 M751 D752 P882 I884	W747-D749 HydrophobicContact CZ3-CB 4.27Å; W747-D749 PolarHBondContact O-N 2.91Å; D749-M751 PolarHBondContact O-N 2.77Å; D749-M751 VanDerWaalsContact O-N 3.13Å; D749-M751 WeakPolarHBondContact OD1-CB 3.17Å; D749-M751 PolarHBondContact OD1-N 3.48Å; D749-D752 PolarHBondContact O-N 3.2Å; D749-P882 PolarHBondContact N-O 3.4Å; D749-I884 HydrophobicContact CB-CD1 4.03Å
750	P	62.6	Low	64.9	Low	17 Å²	17	61.3 Å²	61.3	11%	0.11	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.3	-175.9	-20.4	35	0	0	0	114.2	W747 E748 M753 P943	W747-P750 VanDerWaalsContact CZ2-CD 3.45Å; W747-P750 HydrophobicContact CZ2-CG 4.19Å; E748-P750 WeakPolarHBondContact O-CD 3.16Å; P750-M753 WeakPolarHBondContact O-CB 3.48Å; P750-P943 HydrophobicContact CB-CB 3.75Å; P750-P943 HydrophobicContact CB-CG 3.21Å; P750-P943 HydrophobicContact CG-CG 3.93Å
751	M	56.9	Low	61.9	Low	128 Å²	128	64.9 Å²	64.9	63%	0.631	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-37.7	178.4	-63.4	-66.6	161.1	0	0	111.9	D749 M753 T754	D749-M751 PolarHBondContact O-N 2.77Å; D749-M751 VanDerWaalsContact O-N 3.13Å; D749-M751 WeakPolarHBondContact OD1-CB 3.17Å; D749-M751 PolarHBondContact OD1-N 3.48Å; M751-M753 PolarHBondContact O-N 3.31Å; M751-T754 WeakPolarHBondContact O-CB 3.44Å; M751-T754 WeakPolarHBondContact O-CG2 3.42Å; M751-T754 PolarHBondContact O-N 3.1Å; M751-T754 PolarHBondContact O-OG1 3.02Å
752	D	52.7	Low	59.1	Low	79 Å²	79	70.8 Å²	70.8	42%	0.422	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-74.3	-14.1	175.6	-91.2	1.7	0	0	0	112	D749 T754 M755 K871	D749-D752 PolarHBondContact O-N 3.2Å; D752-T754 PolarHBondContact O-N 3.1Å; D752-T754 VanDerWaalsContact O-N 3.08Å; D752-M755 WeakPolarHBondContact O-CB 3.45Å; D752-M755 PolarHBondContact O-N 2.91Å; D752-K871 IonicContact OD1-NZ 3.7Å; D752-K871 PolarHBondContact OD1-NZ 2.85Å
753	M	49.5	Very low	55.9	Low	94 Å²	94	77.2 Å²	77.2	46%	0.463	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-53.8	-27.3	168.2	-155.7	-159.3	-147.5	0	0	112.5	P750 M751 M755 R987	P750-M753 WeakPolarHBondContact O-CB 3.48Å; M751-M753 PolarHBondContact O-N 3.31Å; M753-M755 PolarHBondContact O-N 3.23Å; M753-R987 VanDerWaalsContact CE-NH1 3.31Å
754	T	39.2	Very low	53.1	Low	107 Å²	107	83.4 Å²	83.4	66%	0.656	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-68.4	-10.6	176.8	64.9	0	0	0	0	114.7	M751 D752	M751-T754 WeakPolarHBondContact O-CB 3.44Å; M751-T754 WeakPolarHBondContact O-CG2 3.42Å; M751-T754 PolarHBondContact O-N 3.1Å; M751-T754 PolarHBondContact O-OG1 3.02Å; D752-T754 PolarHBondContact O-N 3.1Å; D752-T754 VanDerWaalsContact O-N 3.08Å
755	M	39.2	Very low	50.5	Low	141 Å²	141	86.6 Å²	86.6	70%	0.695	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-96.4	2.1	-174.6	-63.8	-69.3	160.4	0	0	114.3	D752 M753 P757	D752-M755 WeakPolarHBondContact O-CB 3.45Å; D752-M755 PolarHBondContact O-N 2.91Å; M753-M755 PolarHBondContact O-N 3.23Å; M755-P757 WeakPolarHBondContact O-CD 3.21Å
756	S	30.5	Very low	47.7	Very low	88 Å²	88	93.2 Å²	93.2	62%	0.615	59%	0.589	S	S	*	*			trans	-70.3	121.2	179.1	65.4	0	0	0	0	112.1	Q758	S756-Q758 PolarHBondContact O-N 2.86Å
757	P	38.3	Very low	45.2	Very low	130 Å²	130	97.5 Å²	97.5	84%	0.844	62%	0.618	S	S	*	*			trans	-87	62.5	-169.6	35.4	-37.4	0	0	0	113.4	M755	M755-P757 WeakPolarHBondContact O-CD 3.21Å
758	Q	37.2	Very low	42.7	Very low	180 Å²	180	101.3 Å²	101.3	84%	0.841	65%	0.647	S	S	*	*	S	Bend	trans	-138	134.5	171.9	-69.1	-160.2	10	0	0	114.9	S756 G760	S756-Q758 PolarHBondContact O-N 2.86Å; Q758-G760 PolarHBondContact O-N 3.12Å
759	G	34.2	Very low	41.2	Very low	91 Å²	91	105.7 Å²	105.7	94%	0.938	68%	0.68	S	S	*	*	S	Bend	trans	87.8	-17.2	143.6	0	0	0	0	0	119.8
760	G	27.4	Very low	41.1	Very low	70 Å²	70	107.9 Å²	107.9	72%	0.722	69%	0.69	S	S	*	*			trans	-84.7	130.7	-179.1	0	0	0	0	0	114.6	Q758	Q758-G760 PolarHBondContact O-N 3.12Å
761	T	28.2	Very low	42.1	Very low	130 Å²	130	108.9 Å²	108.9	80%	0.798	69%	0.693	S	S	*	*			trans	-70.5	136.6	167.5	35.5	0	0	0	0	111	T763	T761-T763 PolarHBondContact O-N 3.33Å
762	P	34.1	Very low	43.6	Very low	131 Å²	131	107 Å²	107	85%	0.851	68%	0.683	S	S	*	*			trans	-76.8	94.4	-167.8	29.9	-36	0	0	0	112.7	S764	P762-S764 PolarHBondContact O-N 2.76Å
763	T	28.4	Very low	45.2	Very low	137 Å²	137	104 Å²	104	84%	0.84	67%	0.671	S	S	*	*			trans	-79.7	104.4	160	34.1	0	0	0	0	109	T761	T761-T763 PolarHBondContact O-N 3.33Å
764	S	34.8	Very low	47	Very low	129 Å²	129	102.8 Å²	102.8	90%	0.902	67%	0.671	S	S	*	*	S	Bend	trans	-30	127.8	177.4	-177.4	0	0	0	0	115.5	P762	P762-S764 PolarHBondContact O-N 2.76Å
765	G	38.1	Very low	49.4	Very low	70 Å²	70	97.8 Å²	97.8	72%	0.722	64%	0.64	S	S	*	*			trans	175.2	-23.6	167.2	0	0	0	0	0	120.8
766	V	33.9	Very low	51.8	Low	139 Å²	139	94 Å²	94	84%	0.842	62%	0.621	S	S	*	*			trans	-128.3	128.7	-174.6	-172.3	0	0	0	0	111.1
767	P	37.3	Very low	54.5	Low	114 Å²	114	91.4 Å²	91.4	74%	0.74	60%	0.598	S	S	*	*			trans	-74	147.4	174.9	31.2	-34.2	0	0	0	111.3
768	S	37.8	Very low	56.9	Low	94 Å²	94	89.6 Å²	89.6	66%	0.657	57%	0.574	S	S	*	*			trans	-60.9	153.1	168.5	45	0	0	0	0	111.2	I770	S768-I770 PolarHBondContact O-N 3.46Å
769	S	53.7	Low	59	Low	107 Å²	107	83.2 Å²	83.2	75%	0.748	55%	0.549	S	S	*	.	S	Bend	trans	-74	43.2	-178.7	49.4	0	0	0	0	114
770	I	69.8	Low	60.9	Low	90 Å²	90	80.4 Å²	80.4	46%	0.462	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	100.8	175.9	-55.7	177.2	0	0	0	107.4	S768 I795 L796	S768-I770 PolarHBondContact O-N 3.46Å; I770-I795 HydrophobicContact CG2-CG2 4.13Å; I770-L796 VanDerWaalsContact CA-O 3.32Å; I770-L796 WeakPolarHBondContact CA-O 3.35Å
771	K	83	Confident	63.1	Low	38 Å²	38	82.4 Å²	82.4	17%	0.165	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119	167.3	-172	166.4	-178	172.8	0	108.6	L796 D857 E860 W861 L864	K771-L796 PolarHBondContact N-O 3.01Å; K771-L796 PolarHBondContact O-N 3.18Å; K771-D857 IonicContact NZ-OD1 2.68Å; K771-E860 IonicContact NZ-OE2 2.62Å; K771-E860 PolarHBondContact NZ-OE2 2.91Å; K771-W861 HydrophobicContact CB-CH2 4.26Å; K771-W861 HydrophobicContact CB-CZ3 4.34Å; K771-W861 HydrophobicContact CD-CD2 4.14Å; K771-W861 HydrophobicContact CD-CE3 4.4Å; K771-W861 HydrophobicContact CD-CZ2 4.27Å; K771-W861 HydrophobicContact CG-CH2 3.93Å; K771-W861 HydrophobicContact CG-CZ2 3.9Å; K771-W861 HydrophobicContact CG-CZ3 4.27Å; K771-W861 VanDerWaalsContact O-CH2 3.31Å; K771-W861 WeakPolarHBondContact O-CH2 3.44Å; K771-L864 HydrophobicContact CB-CD1 4.04Å; K771-L864 HydrophobicContact CD-CD1 3.46Å; K771-L864 VanDerWaalsContact CD-CD1 3.46Å; K771-L864 HydrophobicContact CG-CD1 4.31Å
772	E	87.9	Confident	65.1	Low	89 Å²	89	78.4 Å²	78.4	42%	0.416	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.5	170.9	59	166.1	-150.9	0	0	110.6	Y793 V794 I795 R807	E772-Y793 HydrophobicContact CB-CE1 4.03Å; E772-Y793 WeakPolarHBondContact CB-OH 3.48Å; E772-Y793 WeakPolarHBondContact CG-OH 3.21Å; E772-Y793 PolarHBondContact OE1-OH 3.21Å; E772-Y793 VanDerWaalsContact OE1-OH 3.11Å; E772-Y793 PolarHBondContact OE2-OH 3.46Å; E772-V794 CarbonylContact C-O 3.55Å; E772-V794 VanDerWaalsContact CA-O 3.28Å; E772-V794 WeakPolarHBondContact CA-O 3.34Å; E772-I795 HydrophobicContact CB-CG1 4.02Å; E772-I795 HydrophobicContact CB-CG2 4.39Å; E772-R807 IonicContact OE1-CZ 3.84Å; E772-R807 IonicContact OE1-NH2 3.7Å; E772-R807 PolarHBondContact OE1-NH2 3.19Å; E772-R807 IonicContact OE2-NH2 3.15Å
773	G	87.1	Confident	66.3	Low	16 Å²	16	83.9 Å²	83.9	17%	0.165	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	155.9	178.7	0	0	0	0	0	114.8	V794	G773-V794 PolarHBondContact N-O 3.46Å; G773-V794 PolarHBondContact O-N 2.94Å
774	S	87.4	Confident	67.9	Low	67 Å²	67	84.9 Å²	84.9	47%	0.469	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.8	175.9	-53.9	0	0	0	0	110.7	C792 N853	S774-C792 WeakPolarHBondContact CA-O 3.45Å; S774-N853 PolarHBondContact O-ND2 3.39Å
775	L	89.8	Confident	69.2	Low	3 Å²	3	81 Å²	81	2%	0.016	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-179.4	174.2	-66.9	179.4	0	0	0	109.3	C792 V794 F838 L850 A852 W861	L775-C792 VanDerWaalsContact C-SG 3.58Å; L775-C792 PolarHBondContact N-O 3.19Å; L775-C792 PolarHBondContact O-N 3.49Å; L775-C792 VanDerWaalsContact O-O 3.05Å; L775-C792 PolarHBondContact O-SG 3.23Å; L775-C792 VanDerWaalsContact O-SG 3.4Å; L775-V794 HydrophobicContact CB-CG2 4.19Å; L775-V794 HydrophobicContact CD1-CB 4.13Å; L775-V794 HydrophobicContact CD1-CG1 4.41Å; L775-V794 HydrophobicContact CD1-CG2 4Å; L775-V794 HydrophobicContact CG-CG2 4.39Å; L775-F838 HydrophobicContact CD1-CZ 4.03Å; L775-L850 HydrophobicContact CD1-CD1 4.1Å; L775-A852 HydrophobicContact CD2-CB 4.03Å; L775-W861 HydrophobicContact CD1-CD2 4.19Å; L775-W861 HydrophobicContact CD1-CG 4.38Å; L775-W861 HydrophobicContact CD1-CZ2 4.35Å
776	Q	88.2	Confident	70.7	Confident	60 Å²	60	84 Å²	84	28%	0.28	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.8	168.2	-56.1	-173.2	14.2	0	0	109.9	W789 K790 R834 L850 S851	Q776-W789 HydrophobicContact CB-CE3 4.3Å; Q776-W789 WeakPolarHBondContact O-CZ3 3.31Å; Q776-K790 CarbonylContact C-O 3.53Å; Q776-K790 WeakPolarHBondContact CA-O 3.44Å; Q776-K790 WeakPolarHBondContact CB-O 3.35Å; Q776-R834 VanDerWaalsContact OE1-CZ 3.28Å; Q776-L850 CarbonylContact O-C 3.59Å; Q776-L850 WeakPolarHBondContact O-CA 3.04Å; Q776-S851 PolarHBondContact N-O 3.32Å; Q776-S851 PolarHBondContact O-N 2.87Å
777	Y	88.7	Confident	72.8	Confident	35 Å²	35	79.5 Å²	79.5	14%	0.137	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.8	-179.1	80.6	-76.1	0	0	0	112	S779 W789 K790 C792 L813 V849	Y777-S779 PolarHBondContact O-N 2.83Å; Y777-W789 VanDerWaalsContact C-CE3 3.48Å; Y777-W789 WeakPolarHBondContact O-CA 3.36Å; Y777-K790 HydrophobicContact CD1-CB 3.99Å; Y777-K790 WeakPolarHBondContact CD1-O 3.36Å; Y777-K790 HydrophobicContact CE1-CB 3.5Å; Y777-K790 VanDerWaalsContact CE1-CB 3.5Å; Y777-K790 HydrophobicContact CE1-CD 4.24Å; Y777-K790 HydrophobicContact CE1-CG 4.5Å; Y777-K790 PolarHBondContact N-O 3.49Å; Y777-K790 PolarHBondContact O-N 3.48Å; Y777-C792 HydrophobicContact CD1-CB 3.68Å; Y777-C792 HydrophobicContact CE1-CB 4.17Å; Y777-L813 HydrophobicContact CE1-CD1 4.18Å; Y777-V849 WeakPolarHBondContact CA-O 3.43Å
778	R	87.1	Confident	74.8	Confident	91 Å²	91	79 Å²	79	34%	0.343	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	110.3	174.5	-174	-173.7	-175.2	129.9	8	109.9	E787 M788 W789 V849	R778-E787 IonicContact CZ-OE1 3.66Å; R778-E787 IonicContact CZ-OE2 3.15Å; R778-E787 IonicContact NH1-OE1 3.89Å; R778-E787 PolarHBondContact NH1-OE1 3Å; R778-E787 IonicContact NH1-OE2 2.8Å; R778-E787 PolarHBondContact NH1-OE2 2.87Å; R778-E787 IonicContact NH2-OE1 3.92Å; R778-E787 PolarHBondContact NH2-OE1 2.88Å; R778-E787 IonicContact NH2-OE2 2.86Å; R778-M788 CarbonylContact C-O 3.56Å; R778-W789 HydrophobicContact CB-CD2 4.45Å; R778-W789 HydrophobicContact CB-CE3 4.42Å; R778-W789 HydrophobicContact CB-CH2 4.29Å; R778-W789 HydrophobicContact CB-CZ2 4.26Å; R778-W789 HydrophobicContact CB-CZ3 4.34Å; R778-V849 HydrophobicContact CB-CB 4.03Å; R778-V849 PolarHBondContact N-O 3.39Å; R778-V849 VanDerWaalsContact N-O 3.11Å
779	S	81.3	Confident	77	Confident	46 Å²	46	76.3 Å²	76.3	32%	0.322	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-2.2	-179.3	-176.8	0	0	0	0	114.1	Y777 M788 K790	Y777-S779 PolarHBondContact O-N 2.83Å; S779-M788 PolarHBondContact N-O 3.49Å; S779-K790 VanDerWaalsContact OG-CE 3.31Å; S779-K790 WeakPolarHBondContact OG-CE 3.21Å; S779-K790 PolarHBondContact OG-NZ 2.9Å
780	G	75.9	Confident	78.6	Confident	32 Å²	32	76.2 Å²	76.2	33%	0.33	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-160	176.1	0	0	0	0	0	113.5	M788	G780-M788 PolarHBondContact O-N 3.04Å
781	I	73.5	Confident	79.4	Confident	113 Å²	113	75.7 Å²	75.7	58%	0.579	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.7	168	57.3	173.5	0	0	0	109.5
782	T	69.5	Low	79.7	Confident	45 Å²	45	74 Å²	74	28%	0.276	39%	0.385	S	S	.	.			trans	-76.1	165.9	172.9	59	0	0	0	0	111.7	L784 G785 K786 M788	T782-L784 PolarHBondContact O-N 2.8Å; T782-L784 PolarHBondContact OG1-N 2.97Å; T782-G785 PolarHBondContact O-N 3.11Å; T782-K786 PolarHBondContact N-O 2.87Å; T782-K786 PolarHBondContact OG1-N 2.76Å; T782-K786 PolarHBondContact OG1-O 3.37Å; T782-M788 HydrophobicContact CG2-CE 3.88Å; T782-M788 HydrophobicContact CG2-CG 3.72Å; T782-M788 HydrophobicContact CG2-SD 4.05Å
783	Y	58.6	Low	79.8	Confident	246 Å²	246	70.5 Å²	70.5	97%	0.965	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.5	169.2	-62.7	-77.6	0	0	0	114.2
784	L	62.3	Low	79.9	Confident	158 Å²	158	69.9 Å²	69.9	83%	0.827	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13.5	172.8	-87.9	70.1	0	0	0	112.6	T782 K786	T782-L784 PolarHBondContact O-N 2.8Å; T782-L784 PolarHBondContact OG1-N 2.97Å; L784-K786 PolarHBondContact O-N 3.33Å; L784-K786 VanDerWaalsContact O-N 3.11Å
785	G	61.8	Low	80	Confident	48 Å²	48	68.3 Å²	68.3	50%	0.495	35%	0.347	S	S	.	.	S	Bend	trans	78.9	-20.6	177.6	0	0	0	0	0	115.9	T782	T782-G785 PolarHBondContact O-N 3.11Å
786	K	70.3	Confident	79.8	Confident	132 Å²	132	68.5 Å²	68.5	57%	0.574	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.9	139.2	178.2	-63.3	-160.4	175.3	-164.1	0	111.7	T782 L784	T782-K786 PolarHBondContact N-O 2.87Å; T782-K786 PolarHBondContact OG1-N 2.76Å; T782-K786 PolarHBondContact OG1-O 3.37Å; L784-K786 PolarHBondContact O-N 3.33Å; L784-K786 VanDerWaalsContact O-N 3.11Å
787	E	77.5	Confident	79.4	Confident	46 Å²	46	66.8 Å²	66.8	22%	0.215	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.4	-176.3	-52	-164.9	161.8	0	0	112.2	R778 W789 N831	R778-E787 IonicContact CZ-OE1 3.66Å; R778-E787 IonicContact CZ-OE2 3.15Å; R778-E787 IonicContact NH1-OE1 3.89Å; R778-E787 PolarHBondContact NH1-OE1 3Å; R778-E787 IonicContact NH1-OE2 2.8Å; R778-E787 PolarHBondContact NH1-OE2 2.87Å; R778-E787 IonicContact NH2-OE1 3.92Å; R778-E787 PolarHBondContact NH2-OE1 2.88Å; R778-E787 IonicContact NH2-OE2 2.86Å; E787-W789 PolarHBondContact OE2-NE1 2.86Å; E787-N831 PolarHBondContact OE2-ND2 2.86Å; E787-N831 VanDerWaalsContact OE2-ND2 3.16Å
788	M	79.3	Confident	78.5	Confident	102 Å²	102	73.2 Å²	73.2	50%	0.502	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.4	171.9	-89.8	-176.3	156	0	0	110.6	R778 S779 G780 T782	R778-M788 CarbonylContact C-O 3.56Å; S779-M788 PolarHBondContact N-O 3.49Å; G780-M788 PolarHBondContact O-N 3.04Å; T782-M788 HydrophobicContact CG2-CE 3.88Å; T782-M788 HydrophobicContact CG2-CG 3.72Å; T782-M788 HydrophobicContact CG2-SD 4.05Å
789	W	84.9	Confident	77.8	Confident	39 Å²	39	69.5 Å²	69.5	15%	0.148	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.2	175.8	-70.9	83.8	0	0	0	110.3	Q776 Y777 R778 E787 R834 V849	Q776-W789 HydrophobicContact CB-CE3 4.3Å; Q776-W789 WeakPolarHBondContact O-CZ3 3.31Å; Y777-W789 VanDerWaalsContact C-CE3 3.48Å; Y777-W789 WeakPolarHBondContact O-CA 3.36Å; R778-W789 HydrophobicContact CB-CD2 4.45Å; R778-W789 HydrophobicContact CB-CE3 4.42Å; R778-W789 HydrophobicContact CB-CH2 4.29Å; R778-W789 HydrophobicContact CB-CZ2 4.26Å; R778-W789 HydrophobicContact CB-CZ3 4.34Å; E787-W789 PolarHBondContact OE2-NE1 2.86Å; W789-R834 VanDerWaalsContact CG-CZ 3.48Å; W789-V849 HydrophobicContact CH2-CB 4.34Å; W789-V849 HydrophobicContact CH2-CG1 3.73Å; W789-V849 HydrophobicContact CZ2-CG1 4.36Å
790	K	86.8	Confident	77.9	Confident	105 Å²	105	68.2 Å²	68.2	46%	0.457	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.8	177	-72.9	177.2	-177.2	159.9	0	110	Q776 Y777 S779	Q776-K790 CarbonylContact C-O 3.53Å; Q776-K790 WeakPolarHBondContact CA-O 3.44Å; Q776-K790 WeakPolarHBondContact CB-O 3.35Å; Y777-K790 HydrophobicContact CD1-CB 3.99Å; Y777-K790 WeakPolarHBondContact CD1-O 3.36Å; Y777-K790 HydrophobicContact CE1-CB 3.5Å; Y777-K790 VanDerWaalsContact CE1-CB 3.5Å; Y777-K790 HydrophobicContact CE1-CD 4.24Å; Y777-K790 HydrophobicContact CE1-CG 4.5Å; Y777-K790 PolarHBondContact N-O 3.49Å; Y777-K790 PolarHBondContact O-N 3.48Å; S779-K790 VanDerWaalsContact OG-CE 3.31Å; S779-K790 WeakPolarHBondContact OG-CE 3.21Å; S779-K790 PolarHBondContact OG-NZ 2.9Å
791	S	87.3	Confident	78.5	Confident	78 Å²	78	66.9 Å²	66.9	55%	0.545	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	149.3	167.2	-163.2	0	0	0	0	110.1
792	C	89.3	Confident	79.2	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.014	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.6	170.9	53.6	0	0	0	0	110.4	S774 L775 Y777 L803 Y804	S774-C792 WeakPolarHBondContact CA-O 3.45Å; L775-C792 VanDerWaalsContact C-SG 3.58Å; L775-C792 PolarHBondContact N-O 3.19Å; L775-C792 PolarHBondContact O-N 3.49Å; L775-C792 VanDerWaalsContact O-O 3.05Å; L775-C792 PolarHBondContact O-SG 3.23Å; L775-C792 VanDerWaalsContact O-SG 3.4Å; Y777-C792 HydrophobicContact CD1-CB 3.68Å; Y777-C792 HydrophobicContact CE1-CB 4.17Å; C792-L803 HydrophobicContact CB-CD1 3.47Å; C792-L803 VanDerWaalsContact CB-CD1 3.47Å; C792-L803 HydrophobicContact CB-CG 4.37Å; C792-L803 VanDerWaalsContact SG-CD1 3.52Å; C792-Y804 CarbonylContact C-O 3.56Å; C792-Y804 VanDerWaalsContact CA-O 3.28Å; C792-Y804 WeakPolarHBondContact CA-O 3.46Å; C792-Y804 VanDerWaalsContact CB-O 3.25Å; C792-Y804 WeakPolarHBondContact CB-O 3.42Å
793	Y	89.4	Confident	80.1	Confident	17 Å²	17	62.9 Å²	62.9	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.2	168.1	-160.8	-110.4	0	0	0	109.2	E772 I795 Y804 R807	E772-Y793 HydrophobicContact CB-CE1 4.03Å; E772-Y793 WeakPolarHBondContact CB-OH 3.48Å; E772-Y793 WeakPolarHBondContact CG-OH 3.21Å; E772-Y793 PolarHBondContact OE1-OH 3.21Å; E772-Y793 VanDerWaalsContact OE1-OH 3.11Å; E772-Y793 PolarHBondContact OE2-OH 3.46Å; Y793-I795 HydrophobicContact CD1-CD1 4.07Å; Y793-I795 HydrophobicContact CD1-CG1 3.88Å; Y793-I795 HydrophobicContact CE1-CD1 3.92Å; Y793-I795 HydrophobicContact CE1-CG1 3.8Å; Y793-Y804 PolarHBondContact N-O 3.29Å; Y793-Y804 PolarHBondContact O-N 3.24Å; Y793-R807 HydrophobicContact CD1-CB 4.12Å; Y793-R807 HydrophobicContact CD1-CG 3.85Å; Y793-R807 HydrophobicContact CD2-CB 4.14Å; Y793-R807 HydrophobicContact CD2-CG 4.28Å; Y793-R807 HydrophobicContact CE1-CB 4.4Å; Y793-R807 HydrophobicContact CE1-CG 3.67Å; Y793-R807 HydrophobicContact CE2-CB 4.44Å; Y793-R807 HydrophobicContact CE2-CG 4.14Å; Y793-R807 HydrophobicContact CG-CB 3.97Å; Y793-R807 HydrophobicContact CG-CG 4.14Å; Y793-R807 VanDerWaalsContact CZ-NE 3.31Å; Y793-R807 PolarHBondContact OH-NE 3.13Å; Y793-R807 PolarHBondContact OH-NH2 3.25Å
794	V	89.6	Confident	81.5	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.2	-175.2	177.4	0	0	0	0	109.3	E772 G773 L775 L801 Y802 L803 W861	E772-V794 CarbonylContact C-O 3.55Å; E772-V794 VanDerWaalsContact CA-O 3.28Å; E772-V794 WeakPolarHBondContact CA-O 3.34Å; G773-V794 PolarHBondContact N-O 3.46Å; G773-V794 PolarHBondContact O-N 2.94Å; L775-V794 HydrophobicContact CB-CG2 4.19Å; L775-V794 HydrophobicContact CD1-CB 4.13Å; L775-V794 HydrophobicContact CD1-CG1 4.41Å; L775-V794 HydrophobicContact CD1-CG2 4Å; L775-V794 HydrophobicContact CG-CG2 4.39Å; V794-L801 HydrophobicContact CG1-CD1 3.4Å; V794-L801 VanDerWaalsContact CG1-CD1 3.4Å; V794-L801 HydrophobicContact CG1-CG 4.22Å; V794-Y802 WeakPolarHBondContact CA-O 3.32Å; V794-L803 HydrophobicContact CG2-CD1 3.68Å; V794-W861 HydrophobicContact CB-CH2 4.13Å; V794-W861 HydrophobicContact CB-CZ2 4.45Å; V794-W861 HydrophobicContact CG1-CH2 3.72Å; V794-W861 HydrophobicContact CG1-CZ2 4.43Å; V794-W861 HydrophobicContact CG1-CZ3 3.89Å
795	I	88.6	Confident	82.5	Confident	34 Å²	34	47.4 Å²	47.4	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.5	177.5	-51.3	-178.2	0	0	0	108.2	I770 E772 Y793 Y802 Y804	I770-I795 HydrophobicContact CG2-CG2 4.13Å; E772-I795 HydrophobicContact CB-CG1 4.02Å; E772-I795 HydrophobicContact CB-CG2 4.39Å; Y793-I795 HydrophobicContact CD1-CD1 4.07Å; Y793-I795 HydrophobicContact CD1-CG1 3.88Å; Y793-I795 HydrophobicContact CE1-CD1 3.92Å; Y793-I795 HydrophobicContact CE1-CG1 3.8Å; I795-Y802 PolarHBondContact N-O 3.45Å; I795-Y802 PolarHBondContact O-N 2.93Å; I795-Y804 HydrophobicContact CD1-CD2 4.31Å; I795-Y804 HydrophobicContact CD1-CE2 3.8Å; I795-Y804 HydrophobicContact CG1-CD2 4.42Å; I795-Y804 HydrophobicContact CG1-CE2 4.16Å
796	L	85.3	Confident	83.4	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.7	169.1	176.7	60.6	0	0	0	108	I770 K771 L801 M818 W861 L864 L865	I770-L796 VanDerWaalsContact CA-O 3.32Å; I770-L796 WeakPolarHBondContact CA-O 3.35Å; K771-L796 PolarHBondContact N-O 3.01Å; K771-L796 PolarHBondContact O-N 3.18Å; L796-L801 HydrophobicContact CB-CD1 3.91Å; L796-L801 HydrophobicContact CD1-CB 4.31Å; L796-L801 HydrophobicContact CD1-CD1 4.26Å; L796-M818 HydrophobicContact CD1-CG 4Å; L796-W861 HydrophobicContact CB-CZ3 3.96Å; L796-L864 HydrophobicContact CD2-CB 4.08Å; L796-L865 HydrophobicContact CD1-CD2 4.44Å; L796-L865 HydrophobicContact CD2-CD2 4.1Å; L796-L865 HydrophobicContact CD2-CG 4.49Å
797	S	80.8	Confident	83.8	Confident	24 Å²	24	53 Å²	53	17%	0.168	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	130.5	-175.3	-177.1	0	0	0	0	110.7	G799 V800	S797-G799 PolarHBondContact O-N 3.11Å; S797-V800 PolarHBondContact N-O 2.94Å; S797-V800 PolarHBondContact O-N 3.17Å; S797-V800 VanDerWaalsContact O-O 3.13Å
798	K	69.9	Low	83.8	Confident	170 Å²	170	56.3 Å²	56.3	74%	0.739	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	38	-179.2	-56.4	-176.9	179	-176.8	0	113.8	V800	K798-V800 PolarHBondContact O-N 3.49Å
799	G	72.6	Confident	83.8	Confident	13 Å²	13	54.2 Å²	54.2	13%	0.134	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	1.6	-177.5	0	0	0	0	0	115.3	S797 M818 V873	S797-G799 PolarHBondContact O-N 3.11Å; G799-M818 WeakPolarHBondContact O-CB 3.26Å; G799-M818 WeakPolarHBondContact O-CG 3.27Å; G799-M818 PolarHBondContact O-N 3.17Å; G799-V873 WeakPolarHBondContact O-CG2 3.47Å
800	V	83.5	Confident	83.1	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.6	172.4	-175.2	0	0	0	0	109.7	S797 K798 Y802 V873	S797-V800 PolarHBondContact N-O 2.94Å; S797-V800 PolarHBondContact O-N 3.17Å; S797-V800 VanDerWaalsContact O-O 3.13Å; K798-V800 PolarHBondContact O-N 3.49Å; V800-Y802 HydrophobicContact CB-CD2 4.4Å; V800-Y802 HydrophobicContact CB-CE2 3.65Å; V800-Y802 HydrophobicContact CG1-CD1 4.29Å; V800-Y802 HydrophobicContact CG1-CD2 4.14Å; V800-Y802 HydrophobicContact CG1-CE1 3.78Å; V800-Y802 HydrophobicContact CG1-CE2 3.61Å; V800-Y802 HydrophobicContact CG1-CG 4.46Å; V800-Y802 VanDerWaalsContact CG1-CZ 3.41Å; V800-V873 HydrophobicContact CG2-CG1 4.38Å; V800-V873 HydrophobicContact CG2-CG2 4.1Å
801	L	86.9	Confident	82.5	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.8	175.1	-174.8	70.4	0	0	0	109.5	V794 L796 S815 V816 M818 W861 L865	V794-L801 HydrophobicContact CG1-CD1 3.4Å; V794-L801 VanDerWaalsContact CG1-CD1 3.4Å; V794-L801 HydrophobicContact CG1-CG 4.22Å; L796-L801 HydrophobicContact CB-CD1 3.91Å; L796-L801 HydrophobicContact CD1-CB 4.31Å; L796-L801 HydrophobicContact CD1-CD1 4.26Å; L801-S815 CarbonylContact O-C 3.48Å; L801-S815 WeakPolarHBondContact O-CA 3.44Å; L801-V816 HydrophobicContact CB-CB 4.34Å; L801-V816 PolarHBondContact N-O 3.17Å; L801-V816 PolarHBondContact O-N 3Å; L801-M818 HydrophobicContact CB-CG 4.15Å; L801-M818 HydrophobicContact CB-SD 3.66Å; L801-M818 HydrophobicContact CD2-SD 4.1Å; L801-M818 HydrophobicContact CG-SD 4.49Å; L801-W861 HydrophobicContact CD1-CZ3 4.4Å; L801-L865 HydrophobicContact CD1-CD2 3.85Å; L801-L865 HydrophobicContact CD2-CD2 3.85Å; L801-L865 HydrophobicContact CG-CD2 4.35Å
802	Y	88.4	Confident	82.4	Confident	69 Å²	69	57.7 Å²	57.7	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.2	177	-58	-87.4	0	0	0	110.4	V794 I795 V800 Y804 P812	V794-Y802 WeakPolarHBondContact CA-O 3.32Å; I795-Y802 PolarHBondContact N-O 3.45Å; I795-Y802 PolarHBondContact O-N 2.93Å; V800-Y802 HydrophobicContact CB-CD2 4.4Å; V800-Y802 HydrophobicContact CB-CE2 3.65Å; V800-Y802 HydrophobicContact CG1-CD1 4.29Å; V800-Y802 HydrophobicContact CG1-CD2 4.14Å; V800-Y802 HydrophobicContact CG1-CE1 3.78Å; V800-Y802 HydrophobicContact CG1-CE2 3.61Å; V800-Y802 HydrophobicContact CG1-CG 4.46Å; V800-Y802 VanDerWaalsContact CG1-CZ 3.41Å; Y802-Y804 HydrophobicContact CG-CE2 4.5Å; Y802-P812 HydrophobicContact CD1-CG 4.28Å
803	L	88.6	Confident	82.1	Confident	6 Å²	6	62 Å²	62	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.2	178.7	178.7	75	0	0	0	108.4	C792 V794 P812 L813 M814 L848	C792-L803 HydrophobicContact CB-CD1 3.47Å; C792-L803 VanDerWaalsContact CB-CD1 3.47Å; C792-L803 HydrophobicContact CB-CG 4.37Å; C792-L803 VanDerWaalsContact SG-CD1 3.52Å; V794-L803 HydrophobicContact CG2-CD1 3.68Å; L803-P812 CarbonylContact O-C 3.55Å; L803-P812 VanDerWaalsContact O-CA 3.29Å; L803-P812 WeakPolarHBondContact O-CA 3.36Å; L803-P812 VanDerWaalsContact O-CB 3.32Å; L803-P812 WeakPolarHBondContact O-CB 3.46Å; L803-L813 HydrophobicContact CD2-CB 4.33Å; L803-L813 HydrophobicContact CG-CB 4.38Å; L803-L813 HydrophobicContact CG-CD1 4.48Å; L803-L813 WeakPolarHBondContact O-CA 3.46Å; L803-L813 WeakPolarHBondContact O-CB 3.43Å; L803-L813 PolarHBondContact O-N 2.87Å; L803-M814 HydrophobicContact CB-CB 4.11Å; L803-M814 HydrophobicContact CD2-CB 4Å; L803-M814 PolarHBondContact N-O 3.06Å; L803-M814 PolarHBondContact O-N 2.64Å; L803-L848 HydrophobicContact CD2-CD1 4.43Å
804	Y	89.4	Confident	81.7	Confident	41 Å²	41	63.9 Å²	63.9	16%	0.161	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	159	175.7	-59.2	-97.3	0	0	0	110	C792 Y793 I795 Y802 D809 P812	C792-Y804 CarbonylContact C-O 3.56Å; C792-Y804 VanDerWaalsContact CA-O 3.28Å; C792-Y804 WeakPolarHBondContact CA-O 3.46Å; C792-Y804 VanDerWaalsContact CB-O 3.25Å; C792-Y804 WeakPolarHBondContact CB-O 3.42Å; Y793-Y804 PolarHBondContact N-O 3.29Å; Y793-Y804 PolarHBondContact O-N 3.24Å; I795-Y804 HydrophobicContact CD1-CD2 4.31Å; I795-Y804 HydrophobicContact CD1-CE2 3.8Å; I795-Y804 HydrophobicContact CG1-CD2 4.42Å; I795-Y804 HydrophobicContact CG1-CE2 4.16Å; Y802-Y804 HydrophobicContact CG-CE2 4.5Å; Y804-D809 HydrophobicContact CD1-CB 3.99Å; Y804-D809 WeakPolarHBondContact CD1-O 3.17Å; Y804-D809 WeakPolarHBondContact CE1-O 3.32Å; Y804-P812 HydrophobicContact CD1-CB 4.05Å; Y804-P812 HydrophobicContact CE1-CB 3.86Å; Y804-P812 HydrophobicContact CE1-CG 4.38Å; Y804-P812 HydrophobicContact CE2-CB 4.37Å; Y804-P812 HydrophobicContact CG-CB 4.4Å
805	A	83.1	Confident	81.5	Confident	38 Å²	38	67 Å²	67	31%	0.314	36%	0.356	S	S	.	.	S	Bend	trans	-76.2	-50.5	174.5	0	0	0	0	0	109.8	D809 L813	A805-D809 WeakPolarHBondContact CA-OD2 3.41Å; A805-D809 VanDerWaalsContact CB-OD2 3.31Å; A805-D809 WeakPolarHBondContact CB-OD2 3.31Å; A805-D809 PolarHBondContact N-OD2 3.22Å; A805-D809 VanDerWaalsContact N-OD2 3.08Å; A805-L813 HydrophobicContact CB-CD1 3.89Å; A805-L813 HydrophobicContact CB-CD2 4.34Å; A805-L813 HydrophobicContact CB-CG 4.19Å
806	E	80.7	Confident	81.2	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	35%	0.351	S	S	*	.	S	Bend	trans	-127.2	157.3	175.5	-61.3	-169.4	-172.5	0	0	111.3	T808 D809	E806-T808 PolarHBondContact O-N 3.4Å; E806-T808 VanDerWaalsContact O-N 3.1Å; E806-D809 PolarHBondContact N-OD2 2.88Å; E806-D809 WeakPolarHBondContact O-CB 3.2Å; E806-D809 PolarHBondContact O-N 3.11Å; E806-D809 VanDerWaalsContact O-N 3.13Å
807	R	78.4	Confident	81	Confident	165 Å²	165	68 Å²	68	62%	0.623	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.1	-177.3	-171.4	173.4	-169	-150.2	7.6	113.6	E772 Y793	E772-R807 IonicContact OE1-CZ 3.84Å; E772-R807 IonicContact OE1-NH2 3.7Å; E772-R807 PolarHBondContact OE1-NH2 3.19Å; E772-R807 IonicContact OE2-NH2 3.15Å; Y793-R807 HydrophobicContact CD1-CB 4.12Å; Y793-R807 HydrophobicContact CD1-CG 3.85Å; Y793-R807 HydrophobicContact CD2-CB 4.14Å; Y793-R807 HydrophobicContact CD2-CG 4.28Å; Y793-R807 HydrophobicContact CE1-CB 4.4Å; Y793-R807 HydrophobicContact CE1-CG 3.67Å; Y793-R807 HydrophobicContact CE2-CB 4.44Å; Y793-R807 HydrophobicContact CE2-CG 4.14Å; Y793-R807 HydrophobicContact CG-CB 3.97Å; Y793-R807 HydrophobicContact CG-CG 4.14Å; Y793-R807 VanDerWaalsContact CZ-NE 3.31Å; Y793-R807 PolarHBondContact OH-NE 3.13Å; Y793-R807 PolarHBondContact OH-NH2 3.25Å
808	T	77.1	Confident	81	Confident	117 Å²	117	66.8 Å²	66.8	72%	0.718	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.7	178.8	40.8	0	0	0	0	114	E806	E806-T808 PolarHBondContact O-N 3.4Å; E806-T808 VanDerWaalsContact O-N 3.1Å
809	D	78.7	Confident	80.7	Confident	57 Å²	57	59 Å²	59	31%	0.305	32%	0.323	S	S	.	.			trans	-74.3	132.1	-178.4	-64.3	-25.1	0	0	0	111.8	Y804 A805 E806	Y804-D809 HydrophobicContact CD1-CB 3.99Å; Y804-D809 WeakPolarHBondContact CD1-O 3.17Å; Y804-D809 WeakPolarHBondContact CE1-O 3.32Å; A805-D809 WeakPolarHBondContact CA-OD2 3.41Å; A805-D809 VanDerWaalsContact CB-OD2 3.31Å; A805-D809 WeakPolarHBondContact CB-OD2 3.31Å; A805-D809 PolarHBondContact N-OD2 3.22Å; A805-D809 VanDerWaalsContact N-OD2 3.08Å; E806-D809 PolarHBondContact N-OD2 2.88Å; E806-D809 WeakPolarHBondContact O-CB 3.2Å; E806-D809 PolarHBondContact O-N 3.11Å; E806-D809 VanDerWaalsContact O-N 3.13Å
810	V	71.1	Confident	80.5	Confident	138 Å²	138	61.7 Å²	61.7	84%	0.836	35%	0.352	S	S	*	.	S	Bend	trans	-79.2	-28.8	174.5	-173.4	0	0	0	0	111.4
811	T	73.9	Confident	79.5	Confident	110 Å²	110	68.3 Å²	68.3	68%	0.675	38%	0.381	S	S	*	.	S	Bend	trans	-107.5	125.6	-177.8	51.8	0	0	0	0	111.2
812	P	84.9	Confident	78.5	Confident	48 Å²	48	72 Å²	72	31%	0.312	40%	0.398	S	S	.	.			trans	-70.8	145.8	173.7	30.3	-34.5	0	0	0	111.4	Y802 L803 Y804 M814	Y802-P812 HydrophobicContact CD1-CG 4.28Å; L803-P812 CarbonylContact O-C 3.55Å; L803-P812 VanDerWaalsContact O-CA 3.29Å; L803-P812 WeakPolarHBondContact O-CA 3.36Å; L803-P812 VanDerWaalsContact O-CB 3.32Å; L803-P812 WeakPolarHBondContact O-CB 3.46Å; Y804-P812 HydrophobicContact CD1-CB 4.05Å; Y804-P812 HydrophobicContact CE1-CB 3.86Å; Y804-P812 HydrophobicContact CE1-CG 4.38Å; Y804-P812 HydrophobicContact CE2-CB 4.37Å; Y804-P812 HydrophobicContact CG-CB 4.4Å; P812-M814 PolarHBondContact O-N 1.91Å
813	L	82.3	Confident	78.2	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	39%	0.386	S	S	.	.	S	Bend	trans	-61.2	-33.2	164.6	-66.8	173.7	0	0	0	112.1	Y777 L803 A805	Y777-L813 HydrophobicContact CE1-CD1 4.18Å; L803-L813 HydrophobicContact CD2-CB 4.33Å; L803-L813 HydrophobicContact CG-CB 4.38Å; L803-L813 HydrophobicContact CG-CD1 4.48Å; L803-L813 WeakPolarHBondContact O-CA 3.46Å; L803-L813 WeakPolarHBondContact O-CB 3.43Å; L803-L813 PolarHBondContact O-N 2.87Å; A805-L813 HydrophobicContact CB-CD1 3.89Å; A805-L813 HydrophobicContact CB-CD2 4.34Å; A805-L813 HydrophobicContact CB-CG 4.19Å
814	M	81.3	Confident	77.4	Confident	55 Å²	55	71 Å²	71	27%	0.271	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	142.1	-179.2	-168.8	-177.8	-63	0	0	110.3	L803 P812 V816 L848	L803-M814 HydrophobicContact CB-CB 4.11Å; L803-M814 HydrophobicContact CD2-CB 4Å; L803-M814 PolarHBondContact N-O 3.06Å; L803-M814 PolarHBondContact O-N 2.64Å; P812-M814 PolarHBondContact O-N 1.91Å; M814-V816 HydrophobicContact CG-CG2 4.13Å; M814-V816 HydrophobicContact SD-CG2 3.88Å; M814-L848 HydrophobicContact SD-CD2 4.45Å
815	S	86.6	Confident	77.1	Confident	68 Å²	68	69.5 Å²	69.5	48%	0.476	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.2	160.3	48.8	0	0	0	0	109.7	L801	L801-S815 CarbonylContact O-C 3.48Å; L801-S815 WeakPolarHBondContact O-CA 3.44Å
816	V	82.3	Confident	77.3	Confident	10 Å²	10	68.6 Å²	68.6	6%	0.061	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	119.9	176.1	174.4	0	0	0	0	108.8	L801 M814 M818 C823 L842	L801-V816 HydrophobicContact CB-CB 4.34Å; L801-V816 PolarHBondContact N-O 3.17Å; L801-V816 PolarHBondContact O-N 3Å; M814-V816 HydrophobicContact CG-CG2 4.13Å; M814-V816 HydrophobicContact SD-CG2 3.88Å; V816-M818 HydrophobicContact CG1-SD 3.94Å; V816-C823 HydrophobicContact CG1-CB 3.93Å; V816-L842 HydrophobicContact CB-CD2 4.43Å; V816-L842 HydrophobicContact CG1-CD2 3.53Å; V816-L842 HydrophobicContact CG2-CD1 4.35Å; V816-L842 HydrophobicContact CG2-CD2 3.99Å
817	T	80.4	Confident	77.5	Confident	51 Å²	51	68.5 Å²	68.5	31%	0.313	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	123.4	167.6	-51	0	0	0	0	108.7	C823 V873	T817-C823 WeakPolarHBondContact O-CB 3.36Å; T817-V873 HydrophobicContact CG2-CB 3.61Å; T817-V873 HydrophobicContact CG2-CG1 4.19Å; T817-V873 HydrophobicContact CG2-CG2 3.53Å
818	M	80	Confident	77.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	39%	0.387	C	S	.	.			trans	-90.3	122.3	-179.5	-53.8	-61.7	-60.6	0	0	110.2	L796 G799 L801 V816 C823 V840 L865 V869 G872 V873	L796-M818 HydrophobicContact CD1-CG 4Å; G799-M818 WeakPolarHBondContact O-CB 3.26Å; G799-M818 WeakPolarHBondContact O-CG 3.27Å; G799-M818 PolarHBondContact O-N 3.17Å; L801-M818 HydrophobicContact CB-CG 4.15Å; L801-M818 HydrophobicContact CB-SD 3.66Å; L801-M818 HydrophobicContact CD2-SD 4.1Å; L801-M818 HydrophobicContact CG-SD 4.49Å; V816-M818 HydrophobicContact CG1-SD 3.94Å; M818-C823 WeakPolarHBondContact CE-SG 3.15Å; M818-V840 HydrophobicContact CE-CG1 4.14Å; M818-L865 HydrophobicContact CE-CB 4.1Å; M818-L865 HydrophobicContact CE-CD2 3.51Å; M818-L865 HydrophobicContact CE-CG 4.4Å; M818-L865 HydrophobicContact SD-CD2 4.12Å; M818-V869 HydrophobicContact CB-CG2 3.94Å; M818-V869 HydrophobicContact CE-CG2 3.58Å; M818-G872 CarbonylContact O-C 3.38Å; M818-G872 WeakPolarHBondContact O-CA 3.48Å; M818-V873 PolarHBondContact O-N 3.48Å
819	G	64.2	Low	78.1	Confident	5 Å²	5	62.6 Å²	62.6	5%	0.052	36%	0.36	C	S	.	.	S	Bend	trans	87.1	174.5	-172	0	0	0	0	0	113.1	C823	G819-C823 PolarHBondContact N-O 2.5Å
820	G	68.4	Low	77.6	Confident	71 Å²	71	67.4 Å²	67.4	73%	0.732	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	62.8	-158.5	-165.3	0	0	0	0	0	112.1	H822	G820-H822 VanDerWaalsContact C-N 3.25Å; G820-H822 PolarHBondContact O-N 3.34Å
821	E	61.9	Low	77.4	Confident	158 Å²	158	62.4 Å²	62.4	74%	0.738	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-64.2	-24.1	-173.5	-62.4	-177.9	159.6	0	0	114.1	T843	E821-T843 WeakPolarHBondContact O-CB 3.36Å; E821-T843 PolarHBondContact O-OG1 2.82Å
822	H	67.8	Low	76.6	Confident	81 Å²	81	63.3 Å²	63.3	38%	0.375	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-86.3	-23	-167.4	-51.3	-56.8	0	0	0	115.4	G820 L842 T843 E844	G820-H822 VanDerWaalsContact C-N 3.25Å; G820-H822 PolarHBondContact O-N 3.34Å; H822-L842 WeakPolarHBondContact O-CA 3.29Å; H822-T843 PolarHBondContact O-N 3.14Å; H822-E844 IonicContact CE1-OE1 3.59Å; H822-E844 IonicContact ND1-OE1 2.89Å; H822-E844 PolarHBondContact ND1-OE1 2.6Å
823	C	80.8	Confident	75.7	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.007	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	102.9	-172	-177.2	0	0	0	0	113.6	V816 T817 M818 G819 G825 V840 I841 L842	V816-C823 HydrophobicContact CG1-CB 3.93Å; T817-C823 WeakPolarHBondContact O-CB 3.36Å; M818-C823 WeakPolarHBondContact CE-SG 3.15Å; G819-C823 PolarHBondContact N-O 2.5Å; C823-G825 VanDerWaalsContact C-N 3.31Å; C823-G825 PolarHBondContact O-N 2.92Å; C823-V840 VanDerWaalsContact SG-CG1 3.6Å; C823-I841 CarbonylContact C-O 3.52Å; C823-I841 WeakPolarHBondContact CA-O 3.05Å; C823-L842 HydrophobicContact CB-CD2 4.36Å
824	G	72.8	Confident	75.3	Confident	52 Å²	52	65.2 Å²	65.2	54%	0.536	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	30.3	-178	0	0	0	0	0	115.9	I841	G824-I841 PolarHBondContact N-O 3.09Å
825	G	83.3	Confident	74.5	Confident	10 Å²	10	66.8 Å²	66.8	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	99.5	-158.8	175.6	0	0	0	0	0	115.2	C823 I841	C823-G825 VanDerWaalsContact C-N 3.31Å; C823-G825 PolarHBondContact O-N 2.92Å; G825-I841 PolarHBondContact O-N 3.14Å
826	C	86.8	Confident	74.5	Confident	19 Å²	19	66.3 Å²	66.3	13%	0.128	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.8	177	75.6	0	0	0	0	113	Q839 V840 C866	C826-Q839 CarbonylContact C-O 3.59Å; C826-Q839 WeakPolarHBondContact CA-O 3.38Å; C826-Q839 VanDerWaalsContact CB-O 3.27Å; C826-Q839 WeakPolarHBondContact CB-O 3.48Å; C826-V840 HydrophobicContact CB-CG2 4.43Å; C826-C866 PolarHBondContact SG-SG 2.94Å
827	R	83.9	Confident	74.7	Confident	130 Å²	130	66 Å²	66	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.5	-179.2	63.7	-179.1	-178.7	-156.4	-1.6	111.9	F838 Q839 I841	R827-F838 CarbonylContact O-C 3.6Å; R827-F838 WeakPolarHBondContact O-CA 3.28Å; R827-Q839 HydrophobicContact CG-CB 4.04Å; R827-Q839 VanDerWaalsContact CZ-OE1 3.31Å; R827-Q839 PolarHBondContact N-O 3.43Å; R827-Q839 PolarHBondContact O-N 3.42Å; R827-I841 HydrophobicContact CG-CD1 4.25Å; R827-I841 HydrophobicContact CG-CG1 4.48Å
828	R	87	Confident	75.2	Confident	136 Å²	136	63.5 Å²	63.5	51%	0.513	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	147.8	173	-68.7	-178.6	178.9	-173.1	-5.7	110.4	M858 M862	R828-M858 HydrophobicContact CG-CE 4.48Å; R828-M858 HydrophobicContact CG-SD 4.34Å; R828-M862 HydrophobicContact CG-CE 3.9Å; R828-M862 HydrophobicContact CG-SD 3.47Å; R828-M862 WeakPolarHBondContact CG-SD 3.39Å
829	S	82	Confident	75.5	Confident	21 Å²	21	65.1 Å²	65.1	15%	0.147	36%	0.355	C	S	.	.			trans	-106.6	121.9	178.6	-158.7	0	0	0	0	109.7	N831 A837 Q839	S829-N831 PolarHBondContact O-N 3.09Å; S829-A837 WeakPolarHBondContact CB-O 3.33Å; S829-A837 PolarHBondContact N-O 2.98Å; S829-Q839 PolarHBondContact OG-NE2 3.07Å
830	N	67.6	Low	76.7	Confident	159 Å²	159	64.9 Å²	64.9	85%	0.85	35%	0.352	S	S	*	.			trans	-80.9	35.8	-176.4	-62.8	-6.7	0	0	0	113	T832	N830-T832 PolarHBondContact O-N 2.85Å
831	N	66.7	Low	77.5	Confident	33 Å²	33	64.1 Å²	64.1	18%	0.176	33%	0.331	C	S	.	.			trans	-79.5	120.5	-179.9	-171.9	-8.5	0	0	0	110.6	E787 S829 E833 R834	E787-N831 PolarHBondContact OE2-ND2 2.86Å; E787-N831 VanDerWaalsContact OE2-ND2 3.16Å; S829-N831 PolarHBondContact O-N 3.09Å; N831-E833 VanDerWaalsContact C-N 3.34Å; N831-E833 WeakPolarHBondContact OD1-CB 3.36Å; N831-E833 PolarHBondContact OD1-N 2.84Å; N831-R834 CarbonylContact O-C 3.54Å; N831-R834 PolarHBondContact O-N 2.76Å
832	T	57	Low	78.5	Confident	129 Å²	129	57.3 Å²	57.3	79%	0.791	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23	177.9	46.3	0	0	0	0	114	N830 R834	N830-T832 PolarHBondContact O-N 2.85Å; T832-R834 VanDerWaalsContact C-N 3.28Å; T832-R834 PolarHBondContact O-N 2.74Å
833	E	66.3	Low	78.8	Confident	118 Å²	118	58.2 Å²	58.2	55%	0.551	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.8	177.4	-62.2	-171.3	157.2	0	0	112.8	N831	N831-E833 VanDerWaalsContact C-N 3.34Å; N831-E833 WeakPolarHBondContact OD1-CB 3.36Å; N831-E833 PolarHBondContact OD1-N 2.84Å
834	R	74.8	Confident	78.4	Confident	62 Å²	62	64.3 Å²	64.3	23%	0.234	34%	0.339	C	S	.	.			trans	-144	97.7	-176.1	-75.1	-172.8	167.4	-130.1	-4.1	112.1	Q776 W789 N831 T832 A837	Q776-R834 VanDerWaalsContact OE1-CZ 3.28Å; W789-R834 VanDerWaalsContact CG-CZ 3.48Å; N831-R834 CarbonylContact O-C 3.54Å; N831-R834 PolarHBondContact O-N 2.76Å; T832-R834 VanDerWaalsContact C-N 3.28Å; T832-R834 PolarHBondContact O-N 2.74Å; R834-A837 HydrophobicContact CB-CB 4.4Å
835	P	64.1	Low	78.5	Confident	89 Å²	89	68.4 Å²	68.4	58%	0.578	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	151.2	163.8	28	-34.8	0	0	0	110	A837	P835-A837 VanDerWaalsContact C-N 3.34Å
836	H	86.2	Confident	78.2	Confident	57 Å²	57	73.2 Å²	73.2	26%	0.264	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	22.7	-179.2	-31.3	-54.3	0	0	0	115.5	A852 N854 E855 M858	H836-A852 HydrophobicContact CB-CB 4.37Å; H836-A852 PolarHBondContact O-N 2.93Å; H836-N854 VanDerWaalsContact CG-C 3.41Å; H836-E855 PolarHBondContact CE1-N 2.87Å; H836-E855 VanDerWaalsContact ND1-CA 3.34Å; H836-E855 WeakPolarHBondContact ND1-CA 3.22Å; H836-E855 WeakPolarHBondContact ND1-CB 3.34Å; H836-E855 PolarHBondContact ND1-N 2.85Å; H836-M858 HydrophobicContact CB-CB 4.2Å; H836-M858 HydrophobicContact CB-SD 4.37Å
837	A	87.2	Confident	78.1	Confident	3 Å²	3	74.8 Å²	74.8	3%	0.025	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141	168.8	0	0	0	0	0	112.8	S829 R834 P835 L850	S829-A837 WeakPolarHBondContact CB-O 3.33Å; S829-A837 PolarHBondContact N-O 2.98Å; R834-A837 HydrophobicContact CB-CB 4.4Å; P835-A837 VanDerWaalsContact C-N 3.34Å; A837-L850 CarbonylContact C-O 3.46Å; A837-L850 WeakPolarHBondContact CA-O 3.13Å
838	F	89.5	Confident	78.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	164.5	178.4	65.2	-80.9	0	0	0	111.4	L775 R827 V840 V849 L850 A852 M858 W861 M862 L865	L775-F838 HydrophobicContact CD1-CZ 4.03Å; R827-F838 CarbonylContact O-C 3.6Å; R827-F838 WeakPolarHBondContact O-CA 3.28Å; F838-V840 HydrophobicContact CE2-CG2 4.38Å; F838-V849 WeakPolarHBondContact O-CA 3.27Å; F838-L850 HydrophobicContact CD1-CB 4.29Å; F838-L850 HydrophobicContact CD2-CB 4.41Å; F838-L850 HydrophobicContact CE1-CB 3.82Å; F838-L850 HydrophobicContact CE2-CB 3.95Å; F838-L850 HydrophobicContact CE2-CD1 3.89Å; F838-L850 HydrophobicContact CE2-CG 4.45Å; F838-L850 HydrophobicContact CZ-CB 3.64Å; F838-L850 HydrophobicContact CZ-CD1 3.89Å; F838-L850 HydrophobicContact CZ-CG 4.4Å; F838-L850 PolarHBondContact N-O 2.99Å; F838-L850 PolarHBondContact O-N 3.11Å; F838-L850 VanDerWaalsContact O-O 3.08Å; F838-A852 HydrophobicContact CE1-CB 4.49Å; F838-M858 HydrophobicContact CB-CG 4.31Å; F838-M858 HydrophobicContact CD1-CG 3.86Å; F838-M858 HydrophobicContact CG-CG 4.36Å; F838-W861 HydrophobicContact CE1-CB 4.49Å; F838-W861 HydrophobicContact CE2-CB 4.49Å; F838-W861 HydrophobicContact CZ-CB 3.95Å; F838-W861 HydrophobicContact CZ-CG 4.46Å; F838-M862 HydrophobicContact CB-CG 4.07Å; F838-M862 HydrophobicContact CB-SD 3.93Å; F838-M862 HydrophobicContact CD2-CG 4.06Å; F838-M862 HydrophobicContact CG-CG 4.11Å; F838-L865 HydrophobicContact CD2-CD1 4.48Å; F838-L865 HydrophobicContact CE2-CD1 3.68Å; F838-L865 HydrophobicContact CZ-CD1 4.5Å
839	Q	88.3	Confident	78.3	Confident	34 Å²	34	63.9 Å²	63.9	16%	0.159	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	-175.7	-57.4	179.3	7.3	0	0	109.2	C826 R827 S829 P847 V849	C826-Q839 CarbonylContact C-O 3.59Å; C826-Q839 WeakPolarHBondContact CA-O 3.38Å; C826-Q839 VanDerWaalsContact CB-O 3.27Å; C826-Q839 WeakPolarHBondContact CB-O 3.48Å; R827-Q839 HydrophobicContact CG-CB 4.04Å; R827-Q839 VanDerWaalsContact CZ-OE1 3.31Å; R827-Q839 PolarHBondContact N-O 3.43Å; R827-Q839 PolarHBondContact O-N 3.42Å; S829-Q839 PolarHBondContact OG-NE2 3.07Å; Q839-P847 HydrophobicContact CB-CB 4.5Å; Q839-V849 HydrophobicContact CG-CG1 4.22Å; Q839-V849 HydrophobicContact CG-CG2 4.28Å
840	V	87.9	Confident	78.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.8	165.2	-172.8	0	0	0	0	107.8	M818 C823 C826 F838 L842 P847 L848 L850 L865	M818-V840 HydrophobicContact CE-CG1 4.14Å; C823-V840 VanDerWaalsContact SG-CG1 3.6Å; C826-V840 HydrophobicContact CB-CG2 4.43Å; F838-V840 HydrophobicContact CE2-CG2 4.38Å; V840-L842 HydrophobicContact CG1-CD2 4.14Å; V840-P847 CarbonylContact O-C 3.59Å; V840-P847 VanDerWaalsContact O-CA 3.25Å; V840-P847 WeakPolarHBondContact O-CA 3.47Å; V840-P847 WeakPolarHBondContact O-CB 3.2Å; V840-L848 HydrophobicContact CB-CB 4.32Å; V840-L848 PolarHBondContact N-O 3.19Å; V840-L848 PolarHBondContact O-N 3.4Å; V840-L850 HydrophobicContact CG2-CD1 4.26Å; V840-L865 HydrophobicContact CG2-CD1 4.05Å
841	I	85.5	Confident	79.8	Confident	55 Å²	55	55.7 Å²	55.7	28%	0.282	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.9	-173.6	-56.5	175.2	0	0	0	107.9	C823 G824 G825 R827	C823-I841 CarbonylContact C-O 3.52Å; C823-I841 WeakPolarHBondContact CA-O 3.05Å; G824-I841 PolarHBondContact N-O 3.09Å; G825-I841 PolarHBondContact O-N 3.14Å; R827-I841 HydrophobicContact CG-CD1 4.25Å; R827-I841 HydrophobicContact CG-CG1 4.48Å
842	L	83.8	Confident	80.9	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.6	174.3	-50.1	-178.7	0	0	0	108.4	V816 H822 C823 V840 R845 L848	V816-L842 HydrophobicContact CB-CD2 4.43Å; V816-L842 HydrophobicContact CG1-CD2 3.53Å; V816-L842 HydrophobicContact CG2-CD1 4.35Å; V816-L842 HydrophobicContact CG2-CD2 3.99Å; H822-L842 WeakPolarHBondContact O-CA 3.29Å; C823-L842 HydrophobicContact CB-CD2 4.36Å; V840-L842 HydrophobicContact CG1-CD2 4.14Å; L842-R845 HydrophobicContact CB-CB 3.93Å; L842-R845 HydrophobicContact CD1-CB 3.92Å; L842-R845 VanDerWaalsContact O-O 3.12Å; L842-L848 HydrophobicContact CD1-CB 4.33Å
843	T	74.1	Confident	82.3	Confident	99 Å²	99	53.2 Å²	53.2	61%	0.607	28%	0.278	S	S	*	.	S	Bend	trans	-85.4	-46	-173	-44.7	0	0	0	0	111.8	E821 H822	E821-T843 WeakPolarHBondContact O-CB 3.36Å; E821-T843 PolarHBondContact O-OG1 2.82Å; H822-T843 PolarHBondContact O-N 3.14Å
844	E	71.8	Confident	83.3	Confident	130 Å²	130	50.6 Å²	50.6	61%	0.607	27%	0.268	S	S	*	.	S	Bend	trans	-84.1	-8.2	178.7	-62.9	164.6	-152.5	0	0	113.8	H822	H822-E844 IonicContact CE1-OE1 3.59Å; H822-E844 IonicContact ND1-OE1 2.89Å; H822-E844 PolarHBondContact ND1-OE1 2.6Å
845	R	74.9	Confident	83.9	Confident	137 Å²	137	52.9 Å²	52.9	52%	0.517	28%	0.281	S	S	.	.	S	Bend	trans	-138.1	152.5	-164	-65.3	-176.7	-171.6	178.6	3.4	111.5	L842	L842-R845 HydrophobicContact CB-CB 3.93Å; L842-R845 HydrophobicContact CD1-CB 3.92Å; L842-R845 VanDerWaalsContact O-O 3.12Å
846	P	77.8	Confident	84.9	Confident	111 Å²	111	54.3 Å²	54.3	72%	0.721	28%	0.28	S	S	*	.			trans	-57	142.3	172.1	25	-34.7	0	0	0	110.7	L848	P846-L848 PolarHBondContact O-N 2.89Å
847	P	83.8	Confident	84.9	Confident	53 Å²	53	53.8 Å²	53.8	34%	0.344	28%	0.279	S	S	.	.			trans	-63.2	131.2	-172	24.7	-34.5	0	0	0	111.7	Q839 V840 V849	Q839-P847 HydrophobicContact CB-CB 4.5Å; V840-P847 CarbonylContact O-C 3.59Å; V840-P847 VanDerWaalsContact O-CA 3.25Å; V840-P847 WeakPolarHBondContact O-CA 3.47Å; V840-P847 WeakPolarHBondContact O-CB 3.2Å; P847-V849 PolarHBondContact O-N 3.45Å; P847-V849 VanDerWaalsContact O-N 3.11Å
848	L	86.6	Confident	84.9	Confident	17 Å²	17	54 Å²	54	9%	0.089	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	105.7	-179.8	176.3	64	0	0	0	109.4	L803 M814 V840 L842 P846 L850	L803-L848 HydrophobicContact CD2-CD1 4.43Å; M814-L848 HydrophobicContact SD-CD2 4.45Å; V840-L848 HydrophobicContact CB-CB 4.32Å; V840-L848 PolarHBondContact N-O 3.19Å; V840-L848 PolarHBondContact O-N 3.4Å; L842-L848 HydrophobicContact CD1-CB 4.33Å; P846-L848 PolarHBondContact O-N 2.89Å; L848-L850 HydrophobicContact CD1-CD2 4.22Å; L848-L850 HydrophobicContact CD2-CD1 4.37Å; L848-L850 HydrophobicContact CD2-CD2 4.28Å; L848-L850 HydrophobicContact CD2-CG 4.41Å; L848-L850 HydrophobicContact CG-CD2 4.03Å; L848-L850 HydrophobicContact CG-CG 4.1Å
849	V	89.3	Confident	84.7	Confident	19 Å²	19	55.5 Å²	55.5	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.8	177.9	-161	0	0	0	0	109.8	Y777 R778 W789 F838 Q839 P847	Y777-V849 WeakPolarHBondContact CA-O 3.43Å; R778-V849 HydrophobicContact CB-CB 4.03Å; R778-V849 PolarHBondContact N-O 3.39Å; R778-V849 VanDerWaalsContact N-O 3.11Å; W789-V849 HydrophobicContact CH2-CB 4.34Å; W789-V849 HydrophobicContact CH2-CG1 3.73Å; W789-V849 HydrophobicContact CZ2-CG1 4.36Å; F838-V849 WeakPolarHBondContact O-CA 3.27Å; Q839-V849 HydrophobicContact CG-CG1 4.22Å; Q839-V849 HydrophobicContact CG-CG2 4.28Å; P847-V849 PolarHBondContact O-N 3.45Å; P847-V849 VanDerWaalsContact O-N 3.11Å
850	L	89.9	Confident	84.6	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156.9	178.6	-61.6	177.9	0	0	0	110.4	L775 Q776 A837 F838 V840 L848	L775-L850 HydrophobicContact CD1-CD1 4.1Å; Q776-L850 CarbonylContact O-C 3.59Å; Q776-L850 WeakPolarHBondContact O-CA 3.04Å; A837-L850 CarbonylContact C-O 3.46Å; A837-L850 WeakPolarHBondContact CA-O 3.13Å; F838-L850 HydrophobicContact CD1-CB 4.29Å; F838-L850 HydrophobicContact CD2-CB 4.41Å; F838-L850 HydrophobicContact CE1-CB 3.82Å; F838-L850 HydrophobicContact CE2-CB 3.95Å; F838-L850 HydrophobicContact CE2-CD1 3.89Å; F838-L850 HydrophobicContact CE2-CG 4.45Å; F838-L850 HydrophobicContact CZ-CB 3.64Å; F838-L850 HydrophobicContact CZ-CD1 3.89Å; F838-L850 HydrophobicContact CZ-CG 4.4Å; F838-L850 PolarHBondContact N-O 2.99Å; F838-L850 PolarHBondContact O-N 3.11Å; F838-L850 VanDerWaalsContact O-O 3.08Å; V840-L850 HydrophobicContact CG2-CD1 4.26Å; L848-L850 HydrophobicContact CD1-CD2 4.22Å; L848-L850 HydrophobicContact CD2-CD1 4.37Å; L848-L850 HydrophobicContact CD2-CD2 4.28Å; L848-L850 HydrophobicContact CD2-CG 4.41Å; L848-L850 HydrophobicContact CG-CD2 4.03Å; L848-L850 HydrophobicContact CG-CG 4.1Å
851	S	90.3	Very high	84.6	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.049	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.5	176.8	-170.6	0	0	0	0	108.9	Q776	Q776-S851 PolarHBondContact N-O 3.32Å; Q776-S851 PolarHBondContact O-N 2.87Å
852	A	90.4	Very high	84.6	Confident	6 Å²	6	56 Å²	56	5%	0.05	29%	0.294	C	S	.	.			trans	-85.3	170.4	170.5	0	0	0	0	0	111.4	L775 H836 F838 D857 M858	L775-A852 HydrophobicContact CD2-CB 4.03Å; H836-A852 HydrophobicContact CB-CB 4.37Å; H836-A852 PolarHBondContact O-N 2.93Å; F838-A852 HydrophobicContact CE1-CB 4.49Å; A852-D857 HydrophobicContact CB-CB 3.9Å; A852-M858 HydrophobicContact CB-CB 3.88Å
853	N	86.1	Confident	84.5	Confident	104 Å²	104	61.9 Å²	61.9	56%	0.556	32%	0.32	S	S	*	.	S	Bend	trans	-85.8	-16	179.3	-56.6	-55.8	0	0	0	113.1	S774	S774-N853 PolarHBondContact O-ND2 3.39Å
854	N	87	Confident	84.9	Confident	63 Å²	63	59.8 Å²	59.8	34%	0.337	31%	0.305	S	S	.	.	S	Bend	trans	-159	171.3	179.4	61.1	73.6	0	0	0	110.2	H836 Q856 D857 M858	H836-N854 VanDerWaalsContact CG-C 3.41Å; N854-Q856 WeakPolarHBondContact OD1-CB 3.32Å; N854-Q856 PolarHBondContact OD1-N 3.46Å; N854-Q856 VanDerWaalsContact OD1-N 3.12Å; N854-D857 PolarHBondContact ND2-OD2 3.04Å; N854-D857 PolarHBondContact OD1-N 3.22Å; N854-M858 PolarHBondContact O-N 3.49Å
855	E	86.5	Confident	85.5	Confident	109 Å²	109	53.6 Å²	53.6	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-69.8	-33.8	-175.9	-156.3	177.2	161.8	0	0	113.8	H836 M858 A859	H836-E855 PolarHBondContact CE1-N 2.87Å; H836-E855 VanDerWaalsContact ND1-CA 3.34Å; H836-E855 WeakPolarHBondContact ND1-CA 3.22Å; H836-E855 WeakPolarHBondContact ND1-CB 3.34Å; H836-E855 PolarHBondContact ND1-N 2.85Å; E855-M858 HydrophobicContact CG-CE 3.72Å; E855-M858 PolarHBondContact O-N 2.83Å; E855-A859 WeakPolarHBondContact O-CB 3.33Å; E855-A859 PolarHBondContact O-N 3.37Å
856	Q	85.2	Confident	85.8	Confident	119 Å²	119	49.7 Å²	49.7	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-67	-47.8	-179.2	179.5	61.8	27.9	0	0	110.8	N854 M858 A859 E860	N854-Q856 WeakPolarHBondContact OD1-CB 3.32Å; N854-Q856 PolarHBondContact OD1-N 3.46Å; N854-Q856 VanDerWaalsContact OD1-N 3.12Å; Q856-M858 VanDerWaalsContact C-N 3.32Å; Q856-M858 PolarHBondContact O-N 2.97Å; Q856-A859 PolarHBondContact O-N 3.06Å; Q856-A859 VanDerWaalsContact O-N 3.16Å; Q856-E860 WeakPolarHBondContact CG-OE1 3.36Å; Q856-E860 PolarHBondContact NE2-OE1 3.26Å; Q856-E860 WeakPolarHBondContact O-CG 3.45Å; Q856-E860 PolarHBondContact O-N 2.79Å
857	D	87.2	Confident	85.6	Confident	46 Å²	46	49 Å²	49	25%	0.246	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-46.1	173.1	-88.8	-46.2	0	0	0	111.3	K771 A852 N854 A859 W861	K771-D857 IonicContact NZ-OD1 2.68Å; A852-D857 HydrophobicContact CB-CB 3.9Å; N854-D857 PolarHBondContact ND2-OD2 3.04Å; N854-D857 PolarHBondContact OD1-N 3.22Å; D857-A859 PolarHBondContact O-N 3.42Å; D857-W861 VanDerWaalsContact O-CB 3.31Å; D857-W861 WeakPolarHBondContact O-CB 3.15Å; D857-W861 PolarHBondContact O-N 3.35Å
858	M	87.9	Confident	85.2	Confident	9 Å²	9	47.6 Å²	47.6	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-47.3	175.9	176.2	-164.7	65.6	0	0	111.2	R828 H836 F838 A852 N854 E855 Q856 W861 M862	R828-M858 HydrophobicContact CG-CE 4.48Å; R828-M858 HydrophobicContact CG-SD 4.34Å; H836-M858 HydrophobicContact CB-CB 4.2Å; H836-M858 HydrophobicContact CB-SD 4.37Å; F838-M858 HydrophobicContact CB-CG 4.31Å; F838-M858 HydrophobicContact CD1-CG 3.86Å; F838-M858 HydrophobicContact CG-CG 4.36Å; A852-M858 HydrophobicContact CB-CB 3.88Å; N854-M858 PolarHBondContact O-N 3.49Å; E855-M858 HydrophobicContact CG-CE 3.72Å; E855-M858 PolarHBondContact O-N 2.83Å; Q856-M858 VanDerWaalsContact C-N 3.32Å; Q856-M858 PolarHBondContact O-N 2.97Å; M858-W861 PolarHBondContact O-N 2.87Å; M858-M862 HydrophobicContact CG-CG 4.41Å; M858-M862 HydrophobicContact CG-SD 4.21Å; M858-M862 WeakPolarHBondContact O-CB 3.12Å; M858-M862 VanDerWaalsContact O-CG 3.31Å; M858-M862 WeakPolarHBondContact O-CG 3.43Å; M858-M862 PolarHBondContact O-N 3.45Å
859	A	83.9	Confident	84.8	Confident	31 Å²	31	48.4 Å²	48.4	26%	0.256	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-46.5	-178.4	0	0	0	0	0	111.7	E855 Q856 D857 M862 Q863	E855-A859 WeakPolarHBondContact O-CB 3.33Å; E855-A859 PolarHBondContact O-N 3.37Å; Q856-A859 PolarHBondContact O-N 3.06Å; Q856-A859 VanDerWaalsContact O-N 3.16Å; D857-A859 PolarHBondContact O-N 3.42Å; A859-M862 PolarHBondContact O-N 3.19Å; A859-Q863 WeakPolarHBondContact O-CB 3.48Å; A859-Q863 PolarHBondContact O-N 2.93Å
860	E	86.3	Confident	83.8	Confident	70 Å²	70	52.1 Å²	52.1	33%	0.327	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-44.7	176.1	-71.6	175.2	-158.8	0	0	112.8	K771 Q856 Q863 L864	K771-E860 IonicContact NZ-OE2 2.62Å; K771-E860 PolarHBondContact NZ-OE2 2.91Å; Q856-E860 WeakPolarHBondContact CG-OE1 3.36Å; Q856-E860 PolarHBondContact NE2-OE1 3.26Å; Q856-E860 WeakPolarHBondContact O-CG 3.45Å; Q856-E860 PolarHBondContact O-N 2.79Å; E860-Q863 PolarHBondContact O-N 3.45Å; E860-L864 WeakPolarHBondContact O-CB 3.45Å; E860-L864 WeakPolarHBondContact O-CG 3.33Å; E860-L864 PolarHBondContact O-N 2.9Å
861	W	88.8	Confident	82.6	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.015	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-46.2	176.1	-86.8	113.7	0	0	0	110.7	K771 L775 V794 L796 L801 F838 D857 M858 Q863 L864 L865	K771-W861 HydrophobicContact CB-CH2 4.26Å; K771-W861 HydrophobicContact CB-CZ3 4.34Å; K771-W861 HydrophobicContact CD-CD2 4.14Å; K771-W861 HydrophobicContact CD-CE3 4.4Å; K771-W861 HydrophobicContact CD-CZ2 4.27Å; K771-W861 HydrophobicContact CG-CH2 3.93Å; K771-W861 HydrophobicContact CG-CZ2 3.9Å; K771-W861 HydrophobicContact CG-CZ3 4.27Å; K771-W861 VanDerWaalsContact O-CH2 3.31Å; K771-W861 WeakPolarHBondContact O-CH2 3.44Å; L775-W861 HydrophobicContact CD1-CD2 4.19Å; L775-W861 HydrophobicContact CD1-CG 4.38Å; L775-W861 HydrophobicContact CD1-CZ2 4.35Å; V794-W861 HydrophobicContact CB-CH2 4.13Å; V794-W861 HydrophobicContact CB-CZ2 4.45Å; V794-W861 HydrophobicContact CG1-CH2 3.72Å; V794-W861 HydrophobicContact CG1-CZ2 4.43Å; V794-W861 HydrophobicContact CG1-CZ3 3.89Å; L796-W861 HydrophobicContact CB-CZ3 3.96Å; L801-W861 HydrophobicContact CD1-CZ3 4.4Å; F838-W861 HydrophobicContact CE1-CB 4.49Å; F838-W861 HydrophobicContact CE2-CB 4.49Å; F838-W861 HydrophobicContact CZ-CB 3.95Å; F838-W861 HydrophobicContact CZ-CG 4.46Å; D857-W861 VanDerWaalsContact O-CB 3.31Å; D857-W861 WeakPolarHBondContact O-CB 3.15Å; D857-W861 PolarHBondContact O-N 3.35Å; M858-W861 PolarHBondContact O-N 2.87Å; W861-Q863 PolarHBondContact O-N 3.33Å; W861-L864 PolarHBondContact O-N 3.47Å; W861-L865 VanDerWaalsContact O-CB 3.29Å; W861-L865 WeakPolarHBondContact O-CB 3.1Å; W861-L865 WeakPolarHBondContact O-CD1 3.46Å; W861-L865 WeakPolarHBondContact O-CG 3.29Å; W861-L865 PolarHBondContact O-N 3.33Å
862	M	84.6	Confident	81.1	Confident	26 Å²	26	59 Å²	59	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-43.1	176.1	-75.9	-170.1	65.4	0	0	112.6	R828 F838 M858 A859 L865 C866	R828-M862 HydrophobicContact CG-CE 3.9Å; R828-M862 HydrophobicContact CG-SD 3.47Å; R828-M862 WeakPolarHBondContact CG-SD 3.39Å; F838-M862 HydrophobicContact CB-CG 4.07Å; F838-M862 HydrophobicContact CB-SD 3.93Å; F838-M862 HydrophobicContact CD2-CG 4.06Å; F838-M862 HydrophobicContact CG-CG 4.11Å; M858-M862 HydrophobicContact CG-CG 4.41Å; M858-M862 HydrophobicContact CG-SD 4.21Å; M858-M862 WeakPolarHBondContact O-CB 3.12Å; M858-M862 VanDerWaalsContact O-CG 3.31Å; M858-M862 WeakPolarHBondContact O-CG 3.43Å; M858-M862 PolarHBondContact O-N 3.45Å; A859-M862 PolarHBondContact O-N 3.19Å; M862-L865 PolarHBondContact O-N 3.45Å; M862-C866 WeakPolarHBondContact O-CB 3.25Å; M862-C866 PolarHBondContact O-N 3.43Å; M862-C866 PolarHBondContact O-SG 2.93Å
863	Q	82.5	Confident	79.2	Confident	137 Å²	137	60.8 Å²	60.8	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-62.6	-47.6	178.7	-177.7	176	-9.9	0	0	111.5	A859 E860 W861 C866 Q867	A859-Q863 WeakPolarHBondContact O-CB 3.48Å; A859-Q863 PolarHBondContact O-N 2.93Å; E860-Q863 PolarHBondContact O-N 3.45Å; W861-Q863 PolarHBondContact O-N 3.33Å; Q863-C866 PolarHBondContact O-N 2.86Å; Q863-Q867 VanDerWaalsContact O-CB 3.32Å; Q863-Q867 WeakPolarHBondContact O-CB 3.43Å; Q863-Q867 PolarHBondContact O-N 3.4Å
864	L	82.9	Confident	77.4	Confident	56 Å²	56	60.1 Å²	60.1	29%	0.293	32%	0.322	S	S	.	.	H	α-helix	trans	-68.9	-34.6	179.6	-74.3	163.2	0	0	0	112.9	K771 L796 E860 W861 S868	K771-L864 HydrophobicContact CB-CD1 4.04Å; K771-L864 HydrophobicContact CD-CD1 3.46Å; K771-L864 VanDerWaalsContact CD-CD1 3.46Å; K771-L864 HydrophobicContact CG-CD1 4.31Å; L796-L864 HydrophobicContact CD2-CB 4.08Å; E860-L864 WeakPolarHBondContact O-CB 3.45Å; E860-L864 WeakPolarHBondContact O-CG 3.33Å; E860-L864 PolarHBondContact O-N 2.9Å; W861-L864 PolarHBondContact O-N 3.47Å; L864-S868 WeakPolarHBondContact O-CB 3.31Å; L864-S868 PolarHBondContact O-N 3.42Å; L864-S868 PolarHBondContact O-OG 2.92Å
865	L	84.4	Confident	75.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-45.5	173.4	-70.9	165.9	0	0	0	111.1	L796 L801 M818 F838 V840 W861 M862 S868 V869	L796-L865 HydrophobicContact CD1-CD2 4.44Å; L796-L865 HydrophobicContact CD2-CD2 4.1Å; L796-L865 HydrophobicContact CD2-CG 4.49Å; L801-L865 HydrophobicContact CD1-CD2 3.85Å; L801-L865 HydrophobicContact CD2-CD2 3.85Å; L801-L865 HydrophobicContact CG-CD2 4.35Å; M818-L865 HydrophobicContact CE-CB 4.1Å; M818-L865 HydrophobicContact CE-CD2 3.51Å; M818-L865 HydrophobicContact CE-CG 4.4Å; M818-L865 HydrophobicContact SD-CD2 4.12Å; F838-L865 HydrophobicContact CD2-CD1 4.48Å; F838-L865 HydrophobicContact CE2-CD1 3.68Å; F838-L865 HydrophobicContact CZ-CD1 4.5Å; V840-L865 HydrophobicContact CG2-CD1 4.05Å; W861-L865 VanDerWaalsContact O-CB 3.29Å; W861-L865 WeakPolarHBondContact O-CB 3.1Å; W861-L865 WeakPolarHBondContact O-CD1 3.46Å; W861-L865 WeakPolarHBondContact O-CG 3.29Å; W861-L865 PolarHBondContact O-N 3.33Å; M862-L865 PolarHBondContact O-N 3.45Å; L865-S868 PolarHBondContact O-N 2.89Å; L865-V869 WeakPolarHBondContact O-CG2 3.43Å; L865-V869 PolarHBondContact O-N 3.45Å
866	C	80.2	Confident	72.6	Confident	54 Å²	54	64.7 Å²	64.7	37%	0.365	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-42.7	175	-65.8	0	0	0	0	111.8	C826 M862 Q863 S868 V869 S870	C826-C866 PolarHBondContact SG-SG 2.94Å; M862-C866 WeakPolarHBondContact O-CB 3.25Å; M862-C866 PolarHBondContact O-N 3.43Å; M862-C866 PolarHBondContact O-SG 2.93Å; Q863-C866 PolarHBondContact O-N 2.86Å; C866-S868 VanDerWaalsContact C-N 3.31Å; C866-S868 PolarHBondContact O-N 3.4Å; C866-V869 PolarHBondContact O-N 2.92Å; C866-S870 PolarHBondContact O-N 2.75Å; C866-S870 PolarHBondContact O-OG 3.5Å
867	Q	74.7	Confident	70.5	Confident	98 Å²	98	63 Å²	63	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.2	-169.8	179.6	22.1	0	0	111.7	Q863 S870 K871	Q863-Q867 VanDerWaalsContact O-CB 3.32Å; Q863-Q867 WeakPolarHBondContact O-CB 3.43Å; Q863-Q867 PolarHBondContact O-N 3.4Å; Q867-S870 WeakPolarHBondContact CA-OG 3.17Å; Q867-S870 PolarHBondContact O-N 2.92Å; Q867-S870 PolarHBondContact O-OG 2.9Å; Q867-K871 PolarHBondContact O-N 3.16Å
868	S	75.4	Confident	68.1	Low	22 Å²	22	64.8 Å²	64.8	15%	0.154	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-41.8	176.2	-58.9	0	0	0	0	112	L864 L865 C866 S870 K871 G872	L864-S868 WeakPolarHBondContact O-CB 3.31Å; L864-S868 PolarHBondContact O-N 3.42Å; L864-S868 PolarHBondContact O-OG 2.92Å; L865-S868 PolarHBondContact O-N 2.89Å; C866-S868 VanDerWaalsContact C-N 3.31Å; C866-S868 PolarHBondContact O-N 3.4Å; S868-S870 VanDerWaalsContact C-N 3.32Å; S868-S870 PolarHBondContact O-N 2.88Å; S868-K871 PolarHBondContact O-N 2.82Å; S868-G872 PolarHBondContact O-N 3.12Å
869	V	77.7	Confident	65.7	Low	34 Å²	34	67.8 Å²	67.8	21%	0.206	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-39.9	173.9	169.8	0	0	0	0	111.5	M818 L865 C866 K871 G872	M818-V869 HydrophobicContact CB-CG2 3.94Å; M818-V869 HydrophobicContact CE-CG2 3.58Å; L865-V869 WeakPolarHBondContact O-CG2 3.43Å; L865-V869 PolarHBondContact O-N 3.45Å; C866-V869 PolarHBondContact O-N 2.92Å; V869-K871 VanDerWaalsContact C-N 3.32Å; V869-K871 PolarHBondContact O-N 2.85Å; V869-G872 PolarHBondContact O-N 3.38Å
870	S	67.3	Low	63.9	Low	97 Å²	97	70.2 Å²	70.2	68%	0.678	42%	0.415	S	S	*	.	H	α-helix	trans	-72.7	-17.9	176.2	61.6	0	0	0	0	115	C866 Q867 S868	C866-S870 PolarHBondContact O-N 2.75Å; C866-S870 PolarHBondContact O-OG 3.5Å; Q867-S870 WeakPolarHBondContact CA-OG 3.17Å; Q867-S870 PolarHBondContact O-N 2.92Å; Q867-S870 PolarHBondContact O-OG 2.9Å; S868-S870 VanDerWaalsContact C-N 3.32Å; S868-S870 PolarHBondContact O-N 2.88Å
871	K	64.6	Low	62.2	Low	128 Å²	128	70.3 Å²	70.3	56%	0.557	42%	0.42	S	S	*	.	H	α-helix	trans	-94.9	-17.5	171.9	-81.2	-174.1	169.1	-94.2	0	112.9	D752 Q867 S868 V869	D752-K871 IonicContact OD1-NZ 3.7Å; D752-K871 PolarHBondContact OD1-NZ 2.85Å; Q867-K871 PolarHBondContact O-N 3.16Å; S868-K871 PolarHBondContact O-N 2.82Å; V869-K871 VanDerWaalsContact C-N 3.32Å; V869-K871 PolarHBondContact O-N 2.85Å
872	G	58.8	Low	61	Low	25 Å²	25	73.1 Å²	73.1	26%	0.258	44%	0.439	S	S	.	.			trans	66.6	-177.6	-176.4	0	0	0	0	0	114.2	M818 S868 V869	M818-G872 CarbonylContact O-C 3.38Å; M818-G872 WeakPolarHBondContact O-CA 3.48Å; S868-G872 PolarHBondContact O-N 3.12Å; V869-G872 PolarHBondContact O-N 3.38Å
873	V	52.1	Low	60.7	Low	44 Å²	44	72.2 Å²	72.2	27%	0.267	44%	0.435	S	S	.	.			trans	-106.4	108.1	164.4	175.1	0	0	0	0	108.3	G799 V800 T817 M818 P875	G799-V873 WeakPolarHBondContact O-CG2 3.47Å; V800-V873 HydrophobicContact CG2-CG1 4.38Å; V800-V873 HydrophobicContact CG2-CG2 4.1Å; T817-V873 HydrophobicContact CG2-CB 3.61Å; T817-V873 HydrophobicContact CG2-CG1 4.19Å; T817-V873 HydrophobicContact CG2-CG2 3.53Å; M818-V873 PolarHBondContact O-N 3.48Å; V873-P875 WeakPolarHBondContact O-CD 3.44Å
874	I	48.4	Very low	60.8	Low	91 Å²	91	68 Å²	68	47%	0.467	42%	0.417	S	S	.	.			trans	-61	123.3	168.3	-59.1	156.9	0	0	0	107.6	Q876 V878 P880	I874-Q876 PolarHBondContact O-N 3.3Å; I874-V878 HydrophobicContact CG2-CB 4.45Å; I874-V878 WeakPolarHBondContact CG2-O 3.13Å; I874-P880 HydrophobicContact CD1-CB 3.97Å; I874-P880 HydrophobicContact CD1-CG 4.18Å
875	P	39.2	Very low	61.1	Low	88 Å²	88	66 Å²	66	57%	0.571	41%	0.407	S	S	*	.			trans	-58.4	132.7	-179.4	-26.3	35.5	0	0	0	112.1	V873 G877 V878	V873-P875 WeakPolarHBondContact O-CD 3.44Å; P875-G877 PolarHBondContact O-N 3.3Å; P875-V878 HydrophobicContact CB-CG2 4.36Å; P875-V878 PolarHBondContact O-N 3.06Å
876	Q	33	Very low	61.4	Low	180 Å²	180	66 Å²	66	84%	0.841	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	102.1	-179.2	-67.3	-172.4	12.9	0	0	110.7	I874	I874-Q876 PolarHBondContact O-N 3.3Å
877	G	40.3	Very low	61.9	Low	83 Å²	83	63.5 Å²	63.5	86%	0.856	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.8	-23.9	-175	0	0	0	0	0	113.1	P875	P875-G877 PolarHBondContact O-N 3.3Å
878	V	37.6	Very low	62.9	Low	83 Å²	83	58.9 Å²	58.9	50%	0.503	37%	0.368	S	S	.	.			trans	-88.9	114.3	168.8	-175.5	0	0	0	0	108	I874 P875	I874-V878 HydrophobicContact CG2-CB 4.45Å; I874-V878 WeakPolarHBondContact CG2-O 3.13Å; P875-V878 HydrophobicContact CB-CG2 4.36Å; P875-V878 PolarHBondContact O-N 3.06Å
879	A	37.9	Very low	63.7	Low	72 Å²	72	57.8 Å²	57.8	60%	0.595	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-67.1	128.2	163.6	0	0	0	0	0	107.7	T881	A879-T881 PolarHBondContact O-N 2.94Å
880	P	44.4	Very low	64.5	Low	83 Å²	83	56.2 Å²	56.2	54%	0.539	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.9	175.9	25.1	-32.3	0	0	0	108.9	I874 P882	I874-P880 HydrophobicContact CD1-CB 3.97Å; I874-P880 HydrophobicContact CD1-CG 4.18Å; P880-P882 WeakPolarHBondContact O-CD 3.16Å
881	T	52.5	Low	65.7	Low	71 Å²	71	51.8 Å²	51.8	44%	0.436	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.2	119.1	161.2	38.4	0	0	0	0	107	A879 C883	A879-T881 PolarHBondContact O-N 2.94Å; T881-C883 PolarHBondContact O-N 2.86Å
882	P	62.5	Low	66.9	Low	64 Å²	64	48.4 Å²	48.4	42%	0.416	31%	0.308	S	S	.	.	S	Bend	trans	-72.9	4.1	-177.2	31.3	-35.6	0	0	0	112.9	E748 D749 P880	E748-P882 WeakPolarHBondContact CA-O 3.46Å; E748-P882 HydrophobicContact CG-CB 4.13Å; E748-P882 HydrophobicContact CG-CG 4.37Å; D749-P882 PolarHBondContact N-O 3.4Å; P880-P882 WeakPolarHBondContact O-CD 3.16Å
883	C	77.3	Confident	68.3	Low	6 Å²	6	52.5 Å²	52.5	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.7	-172.6	-45.4	0	0	0	0	108.9	H746 W747 T881 Y948	H746-C883 HydrophobicContact CB-CB 3.92Å; W747-C883 CarbonylContact O-C 3.48Å; W747-C883 WeakPolarHBondContact O-CA 3.45Å; T881-C883 PolarHBondContact O-N 2.86Å; C883-Y948 HydrophobicContact CB-CD2 4.34Å; C883-Y948 HydrophobicContact CB-CE2 4.37Å; C883-Y948 WeakPolarHBondContact SG-CE2 3.47Å
884	I	86.1	Confident	70.1	Confident	50 Å²	50	53.1 Å²	53.1	26%	0.256	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.3	179.8	-56.7	176.7	0	0	0	108.3	H746 W747 D749 C886 H899 L910	H746-I884 WeakPolarHBondContact CA-O 3.47Å; W747-I884 HydrophobicContact CE3-CD1 4.42Å; W747-I884 HydrophobicContact CZ3-CD1 4.38Å; W747-I884 PolarHBondContact N-O 3.15Å; W747-I884 PolarHBondContact O-N 3.49Å; D749-I884 HydrophobicContact CB-CD1 4.03Å; I884-C886 PolarHBondContact O-N 2.98Å; I884-H899 WeakPolarHBondContact CG2-NE2 3.13Å; I884-L910 HydrophobicContact CG2-CD1 4.38Å
885	P	88.5	Confident	72.1	Confident	14 Å²	14	48.8 Å²	48.8	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.1	171.8	28.8	-32.2	0	0	0	109	H615 L620	H615-P885 CarbonylContact O-C 3.57Å; L620-P885 HydrophobicContact CB-CB 4.11Å; L620-P885 HydrophobicContact CB-CG 3.83Å
886	C	90.3	Very high	74.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	175.3	-175	64.3	0	0	0	0	112.4	V745 I884 L910	V745-C886 PolarHBondContact N-O 2.99Å; V745-C886 PolarHBondContact O-N 3.24Å; V745-C886 VanDerWaalsContact O-O 3.05Å; I884-C886 PolarHBondContact O-N 2.98Å; C886-L910 HydrophobicContact CB-CD1 3.68Å
887	C	92.3	Very high	77.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.7	174.4	-44.6	0	0	0	0	109.5	Y742 T897 C898	Y742-C887 HydrophobicContact CE2-CB 3.83Å; Y742-C887 PolarHBondContact OH-SG 3.41Å; C887-T897 CarbonylContact O-C 3.48Å; C887-T897 WeakPolarHBondContact O-CA 3.09Å; C887-C898 WeakPolarHBondContact CB-O 3.44Å; C887-C898 PolarHBondContact N-O 3.21Å; C887-C898 PolarHBondContact O-N 3.22Å
888	L	93.8	Very high	79.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.8	172.1	-174	71	0	0	0	110	S743 V745 L895 L896 T897 L947 L958	S743-L888 PolarHBondContact N-O 3.26Å; S743-L888 PolarHBondContact O-N 2.68Å; V745-L888 HydrophobicContact CG1-CB 3.94Å; V745-L888 HydrophobicContact CG1-CD2 3.97Å; V745-L888 HydrophobicContact CG2-CB 3.72Å; V745-L888 HydrophobicContact CG2-CD2 4.42Å; L888-L895 HydrophobicContact CD1-CD1 3.89Å; L888-L895 HydrophobicContact CD1-CG 4.1Å; L888-L895 HydrophobicContact CG-CD1 4.29Å; L888-L896 WeakPolarHBondContact CA-O 3.46Å; L888-T897 HydrophobicContact CD1-CG2 3.61Å; L888-L947 HydrophobicContact CD1-CD1 4.39Å; L888-L947 HydrophobicContact CD2-CD1 3.96Å; L888-L958 HydrophobicContact CD2-CD1 3.77Å; L888-L958 HydrophobicContact CD2-CD2 3.65Å; L888-L958 HydrophobicContact CD2-CG 4.32Å
889	V	94.2	Very high	82.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121.5	-178.4	-164	0	0	0	0	109.4	L722 V726 I739 L741 Y742 T891 L896	L722-V889 HydrophobicContact CD1-CG2 4.07Å; L722-V889 HydrophobicContact CD2-CG1 4.27Å; L722-V889 HydrophobicContact CD2-CG2 4.43Å; V726-V889 HydrophobicContact CG2-CG1 4.25Å; I739-V889 HydrophobicContact CD1-CG1 4.34Å; I739-V889 HydrophobicContact CG1-CG1 4.39Å; I739-V889 HydrophobicContact CG2-CG1 3.96Å; L741-V889 WeakPolarHBondContact O-CA 3.46Å; Y742-V889 HydrophobicContact CD2-CG2 4.28Å; V889-T891 HydrophobicContact CG1-CG2 4.38Å; V889-L896 HydrophobicContact CB-CB 4.29Å; V889-L896 PolarHBondContact N-O 2.86Å; V889-L896 PolarHBondContact O-N 2.84Å
890	V	93.8	Very high	84.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	171.4	-171.2	0	0	0	0	108.4	Q740 L741 L895 I915 L958 T965	Q740-V890 HydrophobicContact CB-CG1 4.4Å; Q740-V890 PolarHBondContact N-O 2.88Å; L741-V890 HydrophobicContact CB-CB 3.9Å; L741-V890 HydrophobicContact CB-CG2 3.83Å; L741-V890 HydrophobicContact CD2-CG2 3.99Å; L741-V890 HydrophobicContact CG-CG2 4.5Å; L741-V890 PolarHBondContact N-O 2.8Å; L741-V890 PolarHBondContact O-N 2.94Å; V890-L895 HydrophobicContact CG2-CD1 3.76Å; V890-I915 HydrophobicContact CG1-CD1 4.39Å; V890-L958 HydrophobicContact CG2-CD1 3.49Å; V890-L958 VanDerWaalsContact CG2-CD1 3.49Å; V890-T965 HydrophobicContact CG1-CG2 4.36Å
891	T	92.8	Very high	86.3	Confident	4 Å²	4	25.1 Å²	25.1	3%	0.025	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-177.2	175.6	65.4	0	0	0	0	110.5	V726 S738 V889 K893 R894 I915	V726-T891 HydrophobicContact CG1-CG2 3.65Å; S738-T891 CarbonylContact O-C 3.44Å; S738-T891 VanDerWaalsContact O-CA 3.27Å; S738-T891 WeakPolarHBondContact O-CA 3.43Å; V889-T891 HydrophobicContact CG1-CG2 4.38Å; T891-K893 PolarHBondContact O-N 2.89Å; T891-K893 PolarHBondContact OG1-N 3.1Å; T891-R894 PolarHBondContact N-O 3.46Å; T891-R894 WeakPolarHBondContact OG1-CA 3.41Å; T891-R894 PolarHBondContact OG1-N 3.07Å; T891-R894 PolarHBondContact OG1-O 3.41Å; T891-I915 WeakPolarHBondContact O-CD1 3.42Å
892	D	90	Very high	87.1	Confident	57 Å²	57	23.9 Å²	23.9	31%	0.305	12%	0.124	S	C	.	.	S	Bend	trans	-69.6	-15	173.8	74.6	-33.1	0	0	0	114.5	S738	S738-D892 PolarHBondContact O-N 2.83Å
893	K	86.9	Confident	87.5	Confident	111 Å²	111	29.2 Å²	29.2	48%	0.483	14%	0.144	S	C	.	.	S	Bend	trans	-131.8	-23.3	-175.6	-65	175.5	-157.1	77.3	0	115.2	T891 I915	T891-K893 PolarHBondContact O-N 2.89Å; T891-K893 PolarHBondContact OG1-N 3.1Å; K893-I915 PolarHBondContact O-N 2.99Å
894	R	90.4	Very high	87.5	Confident	57 Å²	57	33.4 Å²	33.4	22%	0.215	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.7	-170.6	-71.3	-167.2	163.7	175.7	-3.2	114	E729 T891 L896 V913 D914	E729-R894 PolarHBondContact O-NH1 2.87Å; T891-R894 PolarHBondContact N-O 3.46Å; T891-R894 WeakPolarHBondContact OG1-CA 3.41Å; T891-R894 PolarHBondContact OG1-N 3.07Å; T891-R894 PolarHBondContact OG1-O 3.41Å; R894-L896 HydrophobicContact CB-CD2 4.18Å; R894-L896 HydrophobicContact CB-CG 4.29Å; R894-V913 WeakPolarHBondContact CA-O 3.44Å; R894-D914 IonicContact CZ-OD1 3.6Å; R894-D914 VanDerWaalsContact CZ-OD1 3.24Å; R894-D914 IonicContact NE-OD1 3.19Å; R894-D914 PolarHBondContact NE-OD1 3.02Å; R894-D914 IonicContact NH2-OD1 3.1Å; R894-D914 PolarHBondContact NH2-OD1 3.5Å; R894-D914 IonicContact NH2-OD2 3.41Å
895	L	91.4	Very high	87.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127	163.6	-169.7	69.7	0	0	0	108.3	L888 V890 V913 I932 W945	L888-L895 HydrophobicContact CD1-CD1 3.89Å; L888-L895 HydrophobicContact CD1-CG 4.1Å; L888-L895 HydrophobicContact CG-CD1 4.29Å; V890-L895 HydrophobicContact CG2-CD1 3.76Å; L895-V913 PolarHBondContact N-O 3.45Å; L895-V913 PolarHBondContact O-N 3.39Å; L895-I932 HydrophobicContact CD2-CD1 3.73Å; L895-W945 HydrophobicContact CD2-CE3 3.83Å; L895-W945 HydrophobicContact CD2-CZ3 3.72Å; L895-W945 HydrophobicContact CG-CE3 4.49Å; L895-W945 HydrophobicContact CG-CZ3 3.89Å
896	L	91.6	Very high	86.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.7	-174.7	-56.4	172.3	0	0	0	110.6	V726 E729 L888 V889 R894 G911 S912	V726-L896 HydrophobicContact CG1-CD1 4.27Å; V726-L896 HydrophobicContact CG2-CD1 4.01Å; E729-L896 HydrophobicContact CG-CD2 4.05Å; L888-L896 WeakPolarHBondContact CA-O 3.46Å; V889-L896 HydrophobicContact CB-CB 4.29Å; V889-L896 PolarHBondContact N-O 2.86Å; V889-L896 PolarHBondContact O-N 2.84Å; R894-L896 HydrophobicContact CB-CD2 4.18Å; R894-L896 HydrophobicContact CB-CG 4.29Å; L896-G911 WeakPolarHBondContact CA-O 3.39Å; L896-S912 VanDerWaalsContact CD2-CB 3.47Å; L896-S912 WeakPolarHBondContact CD2-OG 3.08Å
897	T	91.4	Very high	86.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.4	166.1	49.5	0	0	0	0	110.1	W747 C887 L888 L910 G911 W945	W747-T897 HydrophobicContact CB-CG2 4.49Å; W747-T897 HydrophobicContact CG-CG2 4.28Å; C887-T897 CarbonylContact O-C 3.48Å; C887-T897 WeakPolarHBondContact O-CA 3.09Å; L888-T897 HydrophobicContact CD1-CG2 3.61Å; T897-L910 WeakPolarHBondContact O-CB 3.37Å; T897-L910 PolarHBondContact O-N 3.27Å; T897-G911 PolarHBondContact N-O 2.78Å; T897-G911 PolarHBondContact O-N 3.39Å; T897-G911 PolarHBondContact OG1-N 3.04Å; T897-G911 PolarHBondContact OG1-O 3.27Å; T897-W945 HydrophobicContact CG2-CE3 4.42Å; T897-W945 HydrophobicContact CG2-CH2 4.29Å; T897-W945 HydrophobicContact CG2-CZ3 3.85Å
898	C	89.8	Confident	86.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.4	-177.3	60.9	0	0	0	0	113.8	F725 C887 R908	F725-C898 HydrophobicContact CE1-CB 3.75Å; F725-C898 HydrophobicContact CZ-CB 3.96Å; C887-C898 WeakPolarHBondContact CB-O 3.44Å; C887-C898 PolarHBondContact N-O 3.21Å; C887-C898 PolarHBondContact O-N 3.22Å; C898-R908 CarbonylContact C-O 3.57Å; C898-R908 WeakPolarHBondContact CA-O 3.36Å; C898-R908 VanDerWaalsContact CB-O 3.28Å; C898-R908 WeakPolarHBondContact CB-O 3.36Å
899	H	89.8	Confident	86	Confident	26 Å²	26	49 Å²	49	12%	0.12	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.2	161.6	-64.6	-163.4	0	0	0	109.6	M616 E617 G618 I884 F907 R908	M616-H899 CarbonylContact O-C 3.55Å; M616-H899 WeakPolarHBondContact O-CA 3.48Å; M616-H899 WeakPolarHBondContact O-CB 3.4Å; E617-H899 PolarHBondContact O-CE1 2.72Å; E617-H899 PolarHBondContact O-ND1 3.31Å; G618-H899 VanDerWaalsContact CA-CE1 3.42Å; G618-H899 WeakPolarHBondContact CA-CE1 3.47Å; I884-H899 WeakPolarHBondContact CG2-NE2 3.13Å; H899-F907 WeakPolarHBondContact O-CA 3.18Å; H899-R908 PolarHBondContact N-O 3.43Å; H899-R908 PolarHBondContact O-N 3.35Å
900	Q	85.3	Confident	85.6	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116	175.9	177	-179.2	-46.5	0	0	110	M616 E617 C902 F906 F907	M616-Q900 HydrophobicContact CE-CB 3.83Å; M616-Q900 HydrophobicContact CE-CG 3.86Å; M616-Q900 PolarHBondContact O-N 2.72Å; E617-Q900 VanDerWaalsContact CG-O 3.29Å; E617-Q900 WeakPolarHBondContact CG-O 3.09Å; Q900-C902 PolarHBondContact O-N 3.41Å; Q900-F906 WeakPolarHBondContact CA-O 3.19Å; Q900-F907 HydrophobicContact CB-CD1 3.97Å; Q900-F907 HydrophobicContact CB-CE1 3.76Å; Q900-F907 HydrophobicContact CB-CZ 4.37Å; Q900-F907 HydrophobicContact CG-CD1 4.25Å; Q900-F907 HydrophobicContact CG-CE1 3.74Å; Q900-F907 HydrophobicContact CG-CE2 4.37Å; Q900-F907 HydrophobicContact CG-CZ 3.82Å
901	D	82.6	Confident	85.1	Confident	53 Å²	53	51.5 Å²	51.5	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	113.9	163.9	167.4	-13.1	0	0	0	108.1	Q903 T904 S905 F906	D901-Q903 VanDerWaalsContact C-N 3.3Å; D901-Q903 PolarHBondContact O-N 2.91Å; D901-Q903 WeakPolarHBondContact OD1-CA 3.36Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.38Å; D901-Q903 PolarHBondContact OD1-N 3.1Å; D901-T904 PolarHBondContact OD1-N 2.85Å; D901-T904 PolarHBondContact OD1-OG1 2.85Å; D901-T904 WeakPolarHBondContact OD2-CB 3.48Å; D901-T904 VanDerWaalsContact OD2-CG2 3.25Å; D901-T904 WeakPolarHBondContact OD2-CG2 3.5Å; D901-T904 PolarHBondContact OD2-OG1 2.9Å; D901-S905 VanDerWaalsContact O-CA 3.22Å; D901-S905 WeakPolarHBondContact O-CA 3.33Å; D901-S905 PolarHBondContact O-N 3.19Å; D901-F906 HydrophobicContact CB-CB 4.28Å; D901-F906 PolarHBondContact N-O 2.87Å
902	C	67.5	Low	84.9	Confident	45 Å²	45	53.3 Å²	53.3	30%	0.304	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.1	-173.9	-67.5	0	0	0	0	113.6	E617 L679 Q900	E617-C902 PolarHBondContact OE1-N 2.79Å; L679-C902 HydrophobicContact CD2-CB 4.06Å; Q900-C902 PolarHBondContact O-N 3.41Å
903	Q	72.6	Confident	84.8	Confident	177 Å²	177	50.8 Å²	50.8	83%	0.827	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-40.6	177	-53.1	-172.9	30.1	0	0	111.9	D901	D901-Q903 VanDerWaalsContact C-N 3.3Å; D901-Q903 PolarHBondContact O-N 2.91Å; D901-Q903 WeakPolarHBondContact OD1-CA 3.36Å; D901-Q903 WeakPolarHBondContact OD1-CB 3.38Å; D901-Q903 PolarHBondContact OD1-N 3.1Å
904	T	77.4	Confident	84.9	Confident	93 Å²	93	47 Å²	47	57%	0.571	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-10.6	-179	71.4	0	0	0	0	114.1	D901 F906	D901-T904 PolarHBondContact OD1-N 2.85Å; D901-T904 PolarHBondContact OD1-OG1 2.85Å; D901-T904 WeakPolarHBondContact OD2-CB 3.48Å; D901-T904 VanDerWaalsContact OD2-CG2 3.25Å; D901-T904 WeakPolarHBondContact OD2-CG2 3.5Å; D901-T904 PolarHBondContact OD2-OG1 2.9Å; T904-F906 PolarHBondContact O-N 2.91Å; T904-F906 WeakPolarHBondContact OG1-CB 3.48Å; T904-F906 PolarHBondContact OG1-N 3.07Å
905	S	78.1	Confident	84.8	Confident	65 Å²	65	44.3 Å²	44.3	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.6	-169.2	-49.4	0	0	0	0	112.6	D901	D901-S905 VanDerWaalsContact O-CA 3.22Å; D901-S905 WeakPolarHBondContact O-CA 3.33Å; D901-S905 PolarHBondContact O-N 3.19Å
906	F	83.3	Confident	84.6	Confident	132 Å²	132	47.6 Å²	47.6	58%	0.579	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	137.3	174.3	175.4	-99	0	0	0	110.5	Q900 D901 T904 R908	Q900-F906 WeakPolarHBondContact CA-O 3.19Å; D901-F906 HydrophobicContact CB-CB 4.28Å; D901-F906 PolarHBondContact N-O 2.87Å; T904-F906 PolarHBondContact O-N 2.91Å; T904-F906 WeakPolarHBondContact OG1-CB 3.48Å; T904-F906 PolarHBondContact OG1-N 3.07Å; F906-R908 HydrophobicContact CE1-CB 4.21Å
907	F	86.3	Confident	84.4	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.8	179.3	-70.7	-95.1	0	0	0	110.8	A721 L722 F725 H899 Q900	A721-F907 HydrophobicContact CB-CE2 3.92Å; A721-F907 HydrophobicContact CB-CZ 4.45Å; L722-F907 HydrophobicContact CB-CE1 4.41Å; L722-F907 HydrophobicContact CB-CZ 3.97Å; L722-F907 HydrophobicContact CD1-CD1 4.11Å; L722-F907 HydrophobicContact CD1-CE1 3.47Å; L722-F907 VanDerWaalsContact CD1-CE1 3.47Å; L722-F907 HydrophobicContact CD1-CZ 3.9Å; F725-F907 HydrophobicContact CB-CB 3.81Å; F725-F907 HydrophobicContact CB-CD1 4.31Å; F725-F907 HydrophobicContact CB-CD2 3.63Å; F725-F907 HydrophobicContact CB-CE2 4.26Å; F725-F907 HydrophobicContact CB-CG 3.65Å; F725-F907 HydrophobicContact CD1-CB 3.75Å; F725-F907 AromaticContact CD1-CD1 3.78Å; F725-F907 HydrophobicContact CD1-CD1 3.78Å; F725-F907 AromaticContact CD1-CG 3.8Å; F725-F907 HydrophobicContact CD1-CG 3.8Å; F725-F907 HydrophobicContact CD2-CB 3.42Å; F725-F907 VanDerWaalsContact CD2-CB 3.42Å; F725-F907 HydrophobicContact CD2-CG 4.2Å; F725-F907 HydrophobicContact CE1-CB 4.17Å; F725-F907 HydrophobicContact CE1-CD1 4.36Å; F725-F907 HydrophobicContact CE2-CB 3.88Å; F725-F907 HydrophobicContact CG-CB 3.34Å; F725-F907 HydrophobicContact CG-CD1 4.09Å; F725-F907 HydrophobicContact CG-CD2 4.12Å; F725-F907 AromaticContact CG-CG 3.6Å; F725-F907 HydrophobicContact CG-CG 3.6Å; F725-F907 HydrophobicContact CZ-CB 4.24Å; H899-F907 WeakPolarHBondContact O-CA 3.18Å; Q900-F907 HydrophobicContact CB-CD1 3.97Å; Q900-F907 HydrophobicContact CB-CE1 3.76Å; Q900-F907 HydrophobicContact CB-CZ 4.37Å; Q900-F907 HydrophobicContact CG-CD1 4.25Å; Q900-F907 HydrophobicContact CG-CE1 3.74Å; Q900-F907 HydrophobicContact CG-CE2 4.37Å; Q900-F907 HydrophobicContact CG-CZ 3.82Å
908	R	85.4	Confident	84.3	Confident	142 Å²	142	48.4 Å²	48.4	54%	0.536	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112	173	176	176.8	172.8	-105.8	-7.6	109.4	C898 H899 F906	C898-R908 CarbonylContact C-O 3.57Å; C898-R908 WeakPolarHBondContact CA-O 3.36Å; C898-R908 VanDerWaalsContact CB-O 3.28Å; C898-R908 WeakPolarHBondContact CB-O 3.36Å; H899-R908 PolarHBondContact N-O 3.43Å; H899-R908 PolarHBondContact O-N 3.35Å; F906-R908 HydrophobicContact CE1-CB 4.21Å
909	S	85.9	Confident	84.1	Confident	38 Å²	38	51.1 Å²	51.1	27%	0.266	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.8	169.3	-168.8	0	0	0	0	110.9	E729	E729-S909 WeakPolarHBondContact OE1-CB 3.41Å; E729-S909 PolarHBondContact OE1-OG 2.95Å
910	L	84.8	Confident	84	Confident	39 Å²	39	51.2 Å²	51.2	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-48.8	169.7	-59.2	-177.7	0	0	0	110.5	W747 I884 C886 T897	W747-L910 HydrophobicContact CE3-CB 4.43Å; W747-L910 HydrophobicContact CE3-CD1 4.03Å; W747-L910 HydrophobicContact CZ3-CB 4Å; W747-L910 HydrophobicContact CZ3-CD1 4.23Å; I884-L910 HydrophobicContact CG2-CD1 4.38Å; C886-L910 HydrophobicContact CB-CD1 3.68Å; T897-L910 WeakPolarHBondContact O-CB 3.37Å; T897-L910 PolarHBondContact O-N 3.27Å
911	G	83.5	Confident	84.3	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145	-177.4	0	0	0	0	0	111.4	L896 T897	L896-G911 WeakPolarHBondContact CA-O 3.39Å; T897-G911 PolarHBondContact N-O 2.78Å; T897-G911 PolarHBondContact O-N 3.39Å; T897-G911 PolarHBondContact OG1-N 3.04Å; T897-G911 PolarHBondContact OG1-O 3.27Å
912	S	88	Confident	84.7	Confident	41 Å²	41	48.3 Å²	48.3	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.5	178.5	165.3	0	0	0	0	109.1	L896	L896-S912 VanDerWaalsContact CD2-CB 3.47Å; L896-S912 WeakPolarHBondContact CD2-OG 3.08Å
913	V	89.1	Confident	85.7	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.1	175.5	-177.7	0	0	0	0	109.7	R894 L895 D917 F934 L942 W945	R894-V913 WeakPolarHBondContact CA-O 3.44Å; L895-V913 PolarHBondContact N-O 3.45Å; L895-V913 PolarHBondContact O-N 3.39Å; V913-D917 HydrophobicContact CG1-CB 3.79Å; V913-F934 HydrophobicContact CB-CE1 4.12Å; V913-F934 HydrophobicContact CB-CZ 4.48Å; V913-F934 HydrophobicContact CG1-CD1 3.69Å; V913-F934 HydrophobicContact CG1-CE1 3.63Å; V913-F934 HydrophobicContact CG1-CG 4.48Å; V913-F934 HydrophobicContact CG1-CZ 4.38Å; V913-F934 HydrophobicContact CG2-CE1 4.2Å; V913-F934 HydrophobicContact CG2-CZ 4.13Å; V913-L942 HydrophobicContact CG1-CD1 4.01Å; V913-L942 HydrophobicContact CG2-CD1 4.25Å; V913-L942 HydrophobicContact CG2-CD2 4.47Å; V913-W945 HydrophobicContact CG2-CH2 4.11Å; V913-W945 HydrophobicContact CG2-CZ2 3.61Å
914	D	88.9	Confident	86.3	Confident	33 Å²	33	41.2 Å²	41.2	18%	0.176	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.4	173.1	-55.3	-55	0	0	0	108.5	R894 C916 D917 R938	R894-D914 IonicContact CZ-OD1 3.6Å; R894-D914 VanDerWaalsContact CZ-OD1 3.24Å; R894-D914 IonicContact NE-OD1 3.19Å; R894-D914 PolarHBondContact NE-OD1 3.02Å; R894-D914 IonicContact NH2-OD1 3.1Å; R894-D914 PolarHBondContact NH2-OD1 3.5Å; R894-D914 IonicContact NH2-OD2 3.41Å; D914-C916 PolarHBondContact O-N 3.47Å; D914-D917 WeakPolarHBondContact O-CB 3.42Å; D914-D917 PolarHBondContact O-N 3.39Å; D914-R938 IonicContact OD2-CZ 2.79Å; D914-R938 VanDerWaalsContact OD2-CZ 3.25Å; D914-R938 IonicContact OD2-NH1 2.88Å; D914-R938 PolarHBondContact OD2-NH1 2.86Å; D914-R938 IonicContact OD2-NH2 3.05Å; D914-R938 PolarHBondContact OD2-NH2 3.28Å
915	I	88.9	Confident	86.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27.7	-177.5	-70.5	170.1	0	0	0	111.3	V890 T891 K893 D917 V918 L962 W966 I969	V890-I915 HydrophobicContact CG1-CD1 4.39Å; T891-I915 WeakPolarHBondContact O-CD1 3.42Å; K893-I915 PolarHBondContact O-N 2.99Å; I915-D917 PolarHBondContact O-N 2.93Å; I915-V918 PolarHBondContact O-N 3.34Å; I915-L962 HydrophobicContact CG2-CD1 4.45Å; I915-W966 HydrophobicContact CG2-CE3 4.28Å; I915-W966 WeakPolarHBondContact O-CZ3 3.4Å; I915-I969 HydrophobicContact CB-CD1 4.21Å; I915-I969 HydrophobicContact CG2-CD1 3.87Å
916	C	86.9	Confident	86.6	Confident	70 Å²	70	44.9 Å²	44.9	47%	0.473	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.8	-14.6	173.7	-60.3	0	0	0	0	115	D914 F970	D914-C916 PolarHBondContact O-N 3.47Å; C916-F970 HydrophobicContact CB-CZ 4.07Å
917	D	87.2	Confident	86.8	Confident	13 Å²	13	42.1 Å²	42.1	7%	0.07	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-89.5	-13.6	177	-60.6	-37.3	0	0	0	113.2	V913 D914 I915 T919 F934 A935 R938	V913-D917 HydrophobicContact CG1-CB 3.79Å; D914-D917 WeakPolarHBondContact O-CB 3.42Å; D914-D917 PolarHBondContact O-N 3.39Å; I915-D917 PolarHBondContact O-N 2.93Å; D917-T919 PolarHBondContact O-N 3.3Å; D917-F934 CarbonylContact O-C 3.59Å; D917-F934 VanDerWaalsContact O-CA 3.26Å; D917-F934 WeakPolarHBondContact O-CA 3.47Å; D917-A935 PolarHBondContact O-N 2.8Å; D917-R938 IonicContact OD1-CZ 3.22Å; D917-R938 IonicContact OD1-NE 2.69Å; D917-R938 PolarHBondContact OD1-NE 3.32Å; D917-R938 IonicContact OD1-NH2 2.77Å; D917-R938 PolarHBondContact OD1-NH2 2.81Å; D917-R938 IonicContact OD2-CZ 3.84Å; D917-R938 IonicContact OD2-NE 2.75Å; D917-R938 PolarHBondContact OD2-NE 2.7Å; D917-R938 VanDerWaalsContact OD2-NE 3.1Å; D917-R938 IonicContact OD2-NH1 2.71Å; D917-R938 PolarHBondContact OD2-NH1 3.21Å; D917-R938 IonicContact OD2-NH2 2.7Å; D917-R938 PolarHBondContact OD2-NH2 2.93Å
918	V	88.6	Confident	86.9	Confident	4 Å²	4	43 Å²	43	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.5	176.3	-179.9	0	0	0	0	108.9	I915 V921 I932 F934 W966 L974	I915-V918 PolarHBondContact O-N 3.34Å; V918-V921 HydrophobicContact CG1-CG2 4.4Å; V918-I932 HydrophobicContact CG1-CG2 3.92Å; V918-I932 HydrophobicContact CG2-CG2 4.09Å; V918-F934 HydrophobicContact CG2-CD1 4.17Å; V918-F934 HydrophobicContact CG2-CE1 3.96Å; V918-W966 HydrophobicContact CB-CE3 4.38Å; V918-W966 HydrophobicContact CB-CZ3 4.06Å; V918-W966 WeakPolarHBondContact O-CH2 3.2Å; V918-W966 WeakPolarHBondContact O-CZ3 3.26Å; V918-L974 HydrophobicContact CG1-CD1 4.02Å
919	T	86.2	Confident	87.2	Confident	57 Å²	57	36.3 Å²	36.3	35%	0.35	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-38.4	175.6	56.1	0	0	0	0	112.6	D917 E933 A935	D917-T919 PolarHBondContact O-N 3.3Å; T919-E933 PolarHBondContact N-O 2.96Å; T919-E933 PolarHBondContact OG1-O 2.93Å; T919-A935 HydrophobicContact CG2-CB 3.96Å
920	T	88.6	Confident	87.4	Confident	29 Å²	29	34.5 Å²	34.5	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	144.5	-164.9	12.1	0	0	0	0	109.3	E933 P975	T920-E933 WeakPolarHBondContact CB-OE2 3.06Å; T920-E933 PolarHBondContact O-N 3.31Å; T920-E933 WeakPolarHBondContact OG1-CB 3.38Å; T920-E933 PolarHBondContact OG1-OE2 2.69Å; T920-P975 WeakPolarHBondContact CA-O 3.41Å; T920-P975 HydrophobicContact CG2-CB 3.96Å
921	V	90.7	Very high	87.7	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.4	167.6	-175.9	0	0	0	0	109.1	V918 L923 C930 V931 I932 L959 L962 L974 P975 H976 R977	V918-V921 HydrophobicContact CG1-CG2 4.4Å; V921-L923 HydrophobicContact CG1-CD2 4.31Å; V921-L923 HydrophobicContact CG1-CG 4.3Å; V921-C930 HydrophobicContact CG1-CB 4.24Å; V921-V931 WeakPolarHBondContact CA-O 3.36Å; V921-I932 HydrophobicContact CG1-CG1 4.49Å; V921-I932 HydrophobicContact CG2-CG1 4.34Å; V921-I932 HydrophobicContact CG2-CG2 4.49Å; V921-L959 HydrophobicContact CG1-CD2 3.75Å; V921-L962 HydrophobicContact CG2-CD2 4.11Å; V921-L974 HydrophobicContact CG2-CD2 3.73Å; V921-L974 HydrophobicContact CG2-CG 4.34Å; V921-P975 PolarHBondContact N-O 3.19Å; V921-H976 WeakPolarHBondContact O-CA 3.49Å; V921-R977 PolarHBondContact O-N 2.99Å
922	S	90	Very high	88	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.4	-177.9	-73.2	0	0	0	0	110.2	V931 E933 R977	S922-V931 PolarHBondContact N-O 3.42Å; S922-V931 PolarHBondContact O-N 2.86Å; S922-E933 PolarHBondContact OG-OE1 2.86Å; S922-R977 CarbonylContact C-O 3.52Å; S922-R977 VanDerWaalsContact CA-O 3.31Å; S922-R977 WeakPolarHBondContact CA-O 3.47Å
923	L	89.6	Confident	88.1	Confident	31 Å²	31	32.8 Å²	32.8	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.9	-169.1	-66.6	167.5	0	0	0	112	V921 C930 L959 R977 L979	V921-L923 HydrophobicContact CG1-CD2 4.31Å; V921-L923 HydrophobicContact CG1-CG 4.3Å; L923-C930 HydrophobicContact CD2-CB 3.48Å; L923-C930 VanDerWaalsContact CD2-CB 3.48Å; L923-L959 HydrophobicContact CD1-CD1 3.61Å; L923-L959 HydrophobicContact CD1-CD2 4.27Å; L923-L959 HydrophobicContact CD2-CD1 3.9Å; L923-L959 HydrophobicContact CD2-CD2 4.26Å; L923-L959 HydrophobicContact CG-CD1 4.42Å; L923-R977 PolarHBondContact N-O 3.42Å; L923-L979 WeakPolarHBondContact O-CB 3.22Å; L923-L979 PolarHBondContact O-N 3.06Å
924	E	86	Confident	88	Confident	43 Å²	43	33.5 Å²	33.5	20%	0.201	19%	0.186	C	C	.	.			trans	-111.9	134.6	167.5	-168.2	-173.2	154.6	0	0	109.2	K927 Y929 R955	E924-K927 HydrophobicContact CB-CB 4.14Å; E924-K927 HydrophobicContact CB-CG 3.73Å; E924-K927 VanDerWaalsContact CD-CG 3.4Å; E924-K927 HydrophobicContact CG-CG 3.66Å; E924-K927 PolarHBondContact O-N 3.41Å; E924-K927 WeakPolarHBondContact OE1-CE 3.28Å; E924-Y929 HydrophobicContact CB-CE1 4.32Å; E924-Y929 PolarHBondContact OE2-OH 3.39Å; E924-R955 PolarHBondContact O-NH1 3.28Å
925	S	78.5	Confident	87.7	Confident	91 Å²	91	33.5 Å²	33.5	64%	0.636	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	140	177.9	-53.5	0	0	0	0	111.1	K927	S925-K927 PolarHBondContact O-N 3.17Å; S925-K927 VanDerWaalsContact O-N 3.16Å
926	D	81.6	Confident	86.5	Confident	144 Å²	144	37.3 Å²	37.3	77%	0.77	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	26.7	178	-46.9	-32	0	0	0	115
927	K	87.6	Confident	85	Confident	74 Å²	74	41.9 Å²	41.9	32%	0.322	24%	0.242	S	C	.	.			trans	-119	139.8	175.7	-58.2	-55.5	-178.1	-169.3	0	114.2	E924 S925 Y929 R955	E924-K927 HydrophobicContact CB-CB 4.14Å; E924-K927 HydrophobicContact CB-CG 3.73Å; E924-K927 VanDerWaalsContact CD-CG 3.4Å; E924-K927 HydrophobicContact CG-CG 3.66Å; E924-K927 PolarHBondContact O-N 3.41Å; E924-K927 WeakPolarHBondContact OE1-CE 3.28Å; S925-K927 PolarHBondContact O-N 3.17Å; S925-K927 VanDerWaalsContact O-N 3.16Å; K927-Y929 HydrophobicContact CB-CD1 3.63Å; K927-Y929 HydrophobicContact CB-CE1 3.62Å; K927-Y929 HydrophobicContact CG-CD1 4.31Å; K927-Y929 HydrophobicContact CG-CE1 3.83Å; K927-Y929 PolarHBondContact O-N 3.22Å; K927-R955 WeakPolarHBondContact O-CD 3.34Å; K927-R955 PolarHBondContact O-NH1 3.01Å
928	E	89.3	Confident	83.7	Confident	36 Å²	36	46.8 Å²	46.8	17%	0.168	26%	0.26	C	S	.	.	S	Bend	trans	-82.1	36.2	-178.4	-55.2	134.8	-160.6	0	0	112.8	F949 L992 K996	E928-F949 WeakPolarHBondContact O-CD2 3.35Å; E928-F949 PolarHBondContact O-N 2.81Å; E928-L992 HydrophobicContact CB-CD1 4.28Å; E928-L992 HydrophobicContact CB-CD2 4.42Å; E928-K996 IonicContact OE1-NZ 3.09Å; E928-K996 PolarHBondContact OE1-NZ 2.9Å; E928-K996 WeakPolarHBondContact OE2-CE 2.76Å; E928-K996 IonicContact OE2-NZ 3.94Å; E928-K996 PolarHBondContact OE2-NZ 3.48Å
929	Y	91.1	Very high	81.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.8	178.8	80	-91.6	0	0	0	112.3	E924 K927 V931 V946 L947 Y948 R955 L979 C988	E924-Y929 HydrophobicContact CB-CE1 4.32Å; E924-Y929 PolarHBondContact OE2-OH 3.39Å; K927-Y929 HydrophobicContact CB-CD1 3.63Å; K927-Y929 HydrophobicContact CB-CE1 3.62Å; K927-Y929 HydrophobicContact CG-CD1 4.31Å; K927-Y929 HydrophobicContact CG-CE1 3.83Å; K927-Y929 PolarHBondContact O-N 3.22Å; Y929-V931 HydrophobicContact CE2-CG2 4.32Å; Y929-V946 HydrophobicContact CD2-CG1 4.41Å; Y929-L947 CarbonylContact C-O 3.52Å; Y929-L947 WeakPolarHBondContact CA-O 3.37Å; Y929-L947 WeakPolarHBondContact CB-O 3.09Å; Y929-Y948 HydrophobicContact CG-CD1 4.23Å; Y929-Y948 HydrophobicContact CG-CE1 4.33Å; Y929-R955 WeakPolarHBondContact O-CD 3.2Å; Y929-L979 HydrophobicContact CE2-CD2 3.88Å; Y929-L979 WeakPolarHBondContact OH-CD2 3.31Å; Y929-C988 HydrophobicContact CD1-CB 4.28Å; Y929-C988 HydrophobicContact CD2-CB 3.82Å; Y929-C988 HydrophobicContact CE1-CB 3.92Å; Y929-C988 HydrophobicContact CE2-CB 3.4Å; Y929-C988 VanDerWaalsContact CE2-CB 3.4Å; Y929-C988 HydrophobicContact CG-CB 4.26Å; Y929-C988 VanDerWaalsContact CZ-CB 3.48Å
930	C	91.6	Very high	80.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.2	171.7	69.5	0	0	0	0	111.7	V921 L923 L947 R955	V921-C930 HydrophobicContact CG1-CB 4.24Å; L923-C930 HydrophobicContact CD2-CB 3.48Å; L923-C930 VanDerWaalsContact CD2-CB 3.48Å; C930-L947 PolarHBondContact N-O 3.34Å; C930-L947 PolarHBondContact O-N 2.84Å; C930-R955 HydrophobicContact CB-CG 4.46Å
931	V	90.6	Very high	79.4	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.048	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.2	174	-176	0	0	0	0	109.2	V921 S922 Y929 P944 W945 V946 L979 V984	V921-V931 WeakPolarHBondContact CA-O 3.36Å; S922-V931 PolarHBondContact N-O 3.42Å; S922-V931 PolarHBondContact O-N 2.86Å; Y929-V931 HydrophobicContact CE2-CG2 4.32Å; V931-P944 HydrophobicContact CG1-CB 4.04Å; V931-W945 CarbonylContact C-O 3.58Å; V931-W945 WeakPolarHBondContact CA-O 3.32Å; V931-V946 HydrophobicContact CG1-CG2 4.38Å; V931-V946 HydrophobicContact CG2-CG1 4.23Å; V931-V946 HydrophobicContact CG2-CG2 4.14Å; V931-L979 HydrophobicContact CG2-CD1 4.28Å; V931-V984 HydrophobicContact CG2-CG1 4.4Å
932	I	90.2	Very high	78.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120	177.3	-54.2	-179.8	0	0	0	108.6	L895 V918 V921 F934 P944 W945 L947 L962	L895-I932 HydrophobicContact CD2-CD1 3.73Å; V918-I932 HydrophobicContact CG1-CG2 3.92Å; V918-I932 HydrophobicContact CG2-CG2 4.09Å; V921-I932 HydrophobicContact CG1-CG1 4.49Å; V921-I932 HydrophobicContact CG2-CG1 4.34Å; V921-I932 HydrophobicContact CG2-CG2 4.49Å; I932-F934 HydrophobicContact CB-CE1 4.49Å; I932-F934 HydrophobicContact CB-CZ 4.13Å; I932-F934 HydrophobicContact CG2-CD1 4.26Å; I932-F934 HydrophobicContact CG2-CE1 3.56Å; I932-F934 HydrophobicContact CG2-CE2 4.47Å; I932-F934 HydrophobicContact CG2-CZ 3.69Å; I932-P944 CarbonylContact O-C 3.6Å; I932-P944 WeakPolarHBondContact O-CA 3.44Å; I932-P944 VanDerWaalsContact O-CB 3.29Å; I932-P944 WeakPolarHBondContact O-CB 3.28Å; I932-W945 PolarHBondContact N-O 3.18Å; I932-W945 PolarHBondContact O-N 3.28Å; I932-L947 HydrophobicContact CD1-CD1 3.76Å; I932-L962 HydrophobicContact CD1-CD2 4.25Å
933	E	88.8	Confident	77.9	Confident	48 Å²	48	67.5 Å²	67.5	22%	0.224	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.9	177.7	-65	169	-166.8	0	0	110.3	T919 T920 S922	T919-E933 PolarHBondContact N-O 2.96Å; T919-E933 PolarHBondContact OG1-O 2.93Å; T920-E933 WeakPolarHBondContact CB-OE2 3.06Å; T920-E933 PolarHBondContact O-N 3.31Å; T920-E933 WeakPolarHBondContact OG1-CB 3.38Å; T920-E933 PolarHBondContact OG1-OE2 2.69Å; S922-E933 PolarHBondContact OG-OE1 2.86Å
934	F	87.8	Confident	77.7	Confident	19 Å²	19	68.6 Å²	68.6	8%	0.083	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.7	-175.1	-54.8	-70.7	0	0	0	113.3	V913 D917 V918 I932 A936 L942 P943 W945	V913-F934 HydrophobicContact CB-CE1 4.12Å; V913-F934 HydrophobicContact CB-CZ 4.48Å; V913-F934 HydrophobicContact CG1-CD1 3.69Å; V913-F934 HydrophobicContact CG1-CE1 3.63Å; V913-F934 HydrophobicContact CG1-CG 4.48Å; V913-F934 HydrophobicContact CG1-CZ 4.38Å; V913-F934 HydrophobicContact CG2-CE1 4.2Å; V913-F934 HydrophobicContact CG2-CZ 4.13Å; D917-F934 CarbonylContact O-C 3.59Å; D917-F934 VanDerWaalsContact O-CA 3.26Å; D917-F934 WeakPolarHBondContact O-CA 3.47Å; V918-F934 HydrophobicContact CG2-CD1 4.17Å; V918-F934 HydrophobicContact CG2-CE1 3.96Å; I932-F934 HydrophobicContact CB-CE1 4.49Å; I932-F934 HydrophobicContact CB-CZ 4.13Å; I932-F934 HydrophobicContact CG2-CD1 4.26Å; I932-F934 HydrophobicContact CG2-CE1 3.56Å; I932-F934 HydrophobicContact CG2-CE2 4.47Å; I932-F934 HydrophobicContact CG2-CZ 3.69Å; F934-A936 PolarHBondContact O-N 2.69Å; F934-L942 HydrophobicContact CB-CB 4Å; F934-L942 HydrophobicContact CB-CD1 4.48Å; F934-L942 HydrophobicContact CD2-CB 4.25Å; F934-L942 HydrophobicContact CG-CB 4.36Å; F934-P943 WeakPolarHBondContact CD2-O 3.31Å; F934-W945 HydrophobicContact CE2-CB 3.98Å; F934-W945 AromaticContact CE2-CD1 3.54Å; F934-W945 HydrophobicContact CE2-CD2 4.12Å; F934-W945 AromaticContact CE2-CG 3.61Å; F934-W945 HydrophobicContact CE2-CG 3.61Å; F934-W945 AromaticContact CE2-NE1 3.98Å; F934-W945 HydrophobicContact CZ-CB 4.15Å; F934-W945 AromaticContact CZ-CD2 3.9Å; F934-W945 HydrophobicContact CZ-CD2 3.9Å; F934-W945 HydrophobicContact CZ-CE3 4.36Å; F934-W945 AromaticContact CZ-CG 3.8Å; F934-W945 HydrophobicContact CZ-CG 3.8Å
935	A	81.1	Confident	77.9	Confident	33 Å²	33	67 Å²	67	27%	0.273	36%	0.363	S	S	.	.			trans	-67.4	119	-178.6	0	0	0	0	0	112.4	D917 T919 D937	D917-A935 PolarHBondContact O-N 2.8Å; T919-A935 HydrophobicContact CG2-CB 3.96Å; A935-D937 PolarHBondContact O-N 2.88Å; A935-D937 VanDerWaalsContact O-N 3.16Å
936	A	64.3	Low	78.5	Confident	81 Å²	81	63 Å²	63	67%	0.669	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	2.4	-177.5	0	0	0	0	0	115.4	F934	F934-A936 PolarHBondContact O-N 2.69Å
937	D	56.4	Low	79	Confident	166 Å²	166	56.1 Å²	56.1	89%	0.888	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	9.5	-171.4	-155.8	32.7	0	0	0	114	A935	A935-D937 PolarHBondContact O-N 2.88Å; A935-D937 VanDerWaalsContact O-N 3.16Å
938	R	59.8	Low	79.1	Confident	115 Å²	115	52.6 Å²	52.6	43%	0.434	28%	0.282	S	S	.	.	S	Bend	trans	-84.2	155.7	171.9	-74.3	-164.2	175.7	-151.1	-1.2	111.8	D914 D917 Q940	D914-R938 IonicContact OD2-CZ 2.79Å; D914-R938 VanDerWaalsContact OD2-CZ 3.25Å; D914-R938 IonicContact OD2-NH1 2.88Å; D914-R938 PolarHBondContact OD2-NH1 2.86Å; D914-R938 IonicContact OD2-NH2 3.05Å; D914-R938 PolarHBondContact OD2-NH2 3.28Å; D917-R938 IonicContact OD1-CZ 3.22Å; D917-R938 IonicContact OD1-NE 2.69Å; D917-R938 PolarHBondContact OD1-NE 3.32Å; D917-R938 IonicContact OD1-NH2 2.77Å; D917-R938 PolarHBondContact OD1-NH2 2.81Å; D917-R938 IonicContact OD2-CZ 3.84Å; D917-R938 IonicContact OD2-NE 2.75Å; D917-R938 PolarHBondContact OD2-NE 2.7Å; D917-R938 VanDerWaalsContact OD2-NE 3.1Å; D917-R938 IonicContact OD2-NH1 2.71Å; D917-R938 PolarHBondContact OD2-NH1 3.21Å; D917-R938 IonicContact OD2-NH2 2.7Å; D917-R938 PolarHBondContact OD2-NH2 2.93Å; R938-Q940 PolarHBondContact O-N 2.75Å
939	T	51.1	Low	79.3	Confident	155 Å²	155	51.1 Å²	51.1	95%	0.951	28%	0.275	S	S	*	.	S	Bend	trans	-66	-5.1	174.7	52.2	0	0	0	0	114.3
940	Q	57.4	Low	79.1	Confident	150 Å²	150	53.8 Å²	53.8	70%	0.701	29%	0.294	S	S	*	.	S	Bend	trans	-128.9	128.8	170.7	-66.1	176.2	-0.8	0	0	106.8	R938 L942	R938-Q940 PolarHBondContact O-N 2.75Å; Q940-L942 PolarHBondContact O-N 2.91Å
941	F	64.8	Low	78.9	Confident	157 Å²	157	54.6 Å²	54.6	69%	0.689	30%	0.303	S	S	*	.			trans	-71.4	120.3	177.5	173.4	-104.5	0	0	0	109.7	P943	F941-P943 HydrophobicContact CD1-CB 4.46Å; F941-P943 HydrophobicContact CE1-CB 3.83Å; F941-P943 HydrophobicContact CE1-CG 4.47Å; F941-P943 HydrophobicContact CZ-CB 4.47Å; F941-P943 WeakPolarHBondContact O-CD 3.29Å
942	L	69.4	Low	78.8	Confident	43 Å²	43	56.2 Å²	56.2	23%	0.225	31%	0.314	C	S	.	.			trans	-94	102.8	171.5	-69.1	177	0	0	0	109.1	V913 F934 Q940	V913-L942 HydrophobicContact CG1-CD1 4.01Å; V913-L942 HydrophobicContact CG2-CD1 4.25Å; V913-L942 HydrophobicContact CG2-CD2 4.47Å; F934-L942 HydrophobicContact CB-CB 4Å; F934-L942 HydrophobicContact CB-CD1 4.48Å; F934-L942 HydrophobicContact CD2-CB 4.25Å; F934-L942 HydrophobicContact CG-CB 4.36Å; Q940-L942 PolarHBondContact O-N 2.91Å
943	P	79.6	Confident	78.8	Confident	22 Å²	22	63.1 Å²	63.1	14%	0.143	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.4	152.3	170.4	27.1	-34.9	0	0	0	111.1	P750 F934 F941	P750-P943 HydrophobicContact CB-CB 3.75Å; P750-P943 HydrophobicContact CB-CG 3.21Å; P750-P943 HydrophobicContact CG-CG 3.93Å; F934-P943 WeakPolarHBondContact CD2-O 3.31Å; F941-P943 HydrophobicContact CD1-CB 4.46Å; F941-P943 HydrophobicContact CE1-CB 3.83Å; F941-P943 HydrophobicContact CE1-CG 4.47Å; F941-P943 HydrophobicContact CZ-CB 4.47Å; F941-P943 WeakPolarHBondContact O-CD 3.29Å
944	P	85.9	Confident	78.9	Confident	54 Å²	54	61.2 Å²	61.2	35%	0.351	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.2	143	-179.2	27.7	-35.5	0	0	0	111.3	V931 I932	V931-P944 HydrophobicContact CG1-CB 4.04Å; I932-P944 CarbonylContact O-C 3.6Å; I932-P944 WeakPolarHBondContact O-CA 3.44Å; I932-P944 VanDerWaalsContact O-CB 3.29Å; I932-P944 WeakPolarHBondContact O-CB 3.28Å
945	W	90.1	Very high	79.1	Confident	11 Å²	11	61.6 Å²	61.6	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133	174.8	-74.8	8	0	0	0	109.8	W747 L895 T897 V913 V931 I932 F934	W747-W945 AromaticContact NE1-CD1 3.58Å; W747-W945 AromaticContact NE1-CD2 3.42Å; W747-W945 AromaticContact NE1-CE2 3.7Å; W747-W945 AromaticContact NE1-CE3 3.98Å; W747-W945 AromaticContact NE1-CG 3.37Å; W747-W945 AromaticContact NE1-NE1 3.77Å; L895-W945 HydrophobicContact CD2-CE3 3.83Å; L895-W945 HydrophobicContact CD2-CZ3 3.72Å; L895-W945 HydrophobicContact CG-CE3 4.49Å; L895-W945 HydrophobicContact CG-CZ3 3.89Å; T897-W945 HydrophobicContact CG2-CE3 4.42Å; T897-W945 HydrophobicContact CG2-CH2 4.29Å; T897-W945 HydrophobicContact CG2-CZ3 3.85Å; V913-W945 HydrophobicContact CG2-CH2 4.11Å; V913-W945 HydrophobicContact CG2-CZ2 3.61Å; V931-W945 CarbonylContact C-O 3.58Å; V931-W945 WeakPolarHBondContact CA-O 3.32Å; I932-W945 PolarHBondContact N-O 3.18Å; I932-W945 PolarHBondContact O-N 3.28Å; F934-W945 HydrophobicContact CE2-CB 3.98Å; F934-W945 AromaticContact CE2-CD1 3.54Å; F934-W945 HydrophobicContact CE2-CD2 4.12Å; F934-W945 AromaticContact CE2-CG 3.61Å; F934-W945 HydrophobicContact CE2-CG 3.61Å; F934-W945 AromaticContact CE2-NE1 3.98Å; F934-W945 HydrophobicContact CZ-CB 4.15Å; F934-W945 AromaticContact CZ-CD2 3.9Å; F934-W945 HydrophobicContact CZ-CD2 3.9Å; F934-W945 HydrophobicContact CZ-CE3 4.36Å; F934-W945 AromaticContact CZ-CG 3.8Å; F934-W945 HydrophobicContact CZ-CG 3.8Å
946	V	89.8	Confident	79.6	Confident	5 Å²	5	63 Å²	63	3%	0.03	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.3	167.8	-168.3	0	0	0	0	108.4	E748 Y929 V931 Y948	E748-V946 HydrophobicContact CB-CB 3.95Å; E748-V946 PolarHBondContact N-O 2.91Å; Y929-V946 HydrophobicContact CD2-CG1 4.41Å; V931-V946 HydrophobicContact CG1-CG2 4.38Å; V931-V946 HydrophobicContact CG2-CG1 4.23Å; V931-V946 HydrophobicContact CG2-CG2 4.14Å; V946-Y948 HydrophobicContact CB-CE2 4.15Å; V946-Y948 HydrophobicContact CG1-CD2 4.27Å; V946-Y948 HydrophobicContact CG1-CE1 4.19Å; V946-Y948 HydrophobicContact CG1-CE2 3.53Å; V946-Y948 VanDerWaalsContact CG1-CZ 3.49Å
947	L	91.9	Very high	81	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.8	-178	-60.8	173	0	0	0	108.9	V745 H746 W747 L888 Y929 C930 I932 F949 L958	V745-L947 HydrophobicContact CG2-CD2 4.02Å; H746-L947 WeakPolarHBondContact O-CA 3.47Å; W747-L947 HydrophobicContact CB-CD2 4.02Å; W747-L947 HydrophobicContact CG-CD2 4.24Å; L888-L947 HydrophobicContact CD1-CD1 4.39Å; L888-L947 HydrophobicContact CD2-CD1 3.96Å; Y929-L947 CarbonylContact C-O 3.52Å; Y929-L947 WeakPolarHBondContact CA-O 3.37Å; Y929-L947 WeakPolarHBondContact CB-O 3.09Å; C930-L947 PolarHBondContact N-O 3.34Å; C930-L947 PolarHBondContact O-N 2.84Å; I932-L947 HydrophobicContact CD1-CD1 3.76Å; L947-F949 HydrophobicContact CB-CE2 3.77Å; L947-F949 HydrophobicContact CB-CZ 3.72Å; L947-F949 HydrophobicContact CD1-CZ 4.39Å; L947-F949 WeakPolarHBondContact O-CE2 3.26Å; L947-L958 HydrophobicContact CD1-CD2 3.88Å
948	Y	91.2	Very high	82.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.2	177.6	-49.6	-102	0	0	0	109.5	H746 E748 C883 Y929 V946 C988 A991 L992 M995	H746-Y948 PolarHBondContact N-O 2.89Å; H746-Y948 PolarHBondContact O-N 3Å; E748-Y948 HydrophobicContact CB-CE2 4.3Å; E748-Y948 PolarHBondContact OE2-OH 2.94Å; C883-Y948 HydrophobicContact CB-CD2 4.34Å; C883-Y948 HydrophobicContact CB-CE2 4.37Å; C883-Y948 WeakPolarHBondContact SG-CE2 3.47Å; Y929-Y948 HydrophobicContact CG-CD1 4.23Å; Y929-Y948 HydrophobicContact CG-CE1 4.33Å; V946-Y948 HydrophobicContact CB-CE2 4.15Å; V946-Y948 HydrophobicContact CG1-CD2 4.27Å; V946-Y948 HydrophobicContact CG1-CE1 4.19Å; V946-Y948 HydrophobicContact CG1-CE2 3.53Å; V946-Y948 VanDerWaalsContact CG1-CZ 3.49Å; Y948-C988 HydrophobicContact CE1-CB 3.92Å; Y948-C988 WeakPolarHBondContact CE1-O 3.48Å; Y948-A991 HydrophobicContact CE1-CB 3.85Å; Y948-L992 HydrophobicContact CD1-CB 4.45Å; Y948-L992 HydrophobicContact CD1-CD1 4.41Å; Y948-M995 HydrophobicContact CD1-SD 4.44Å; Y948-M995 HydrophobicContact CG-SD 4.05Å
949	F	91.8	Very high	84.3	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.026	26%	0.263	C	S	.	.			trans	-116.8	169.6	-170.5	-57	-93.8	0	0	0	111	V745 E928 L947 E954 R955 L958	V745-F949 HydrophobicContact CB-CE1 4.47Å; V745-F949 HydrophobicContact CG1-CD1 3.77Å; V745-F949 HydrophobicContact CG1-CE1 3.47Å; V745-F949 VanDerWaalsContact CG1-CE1 3.47Å; V745-F949 HydrophobicContact CG1-CZ 4.24Å; E928-F949 WeakPolarHBondContact O-CD2 3.35Å; E928-F949 PolarHBondContact O-N 2.81Å; L947-F949 HydrophobicContact CB-CE2 3.77Å; L947-F949 HydrophobicContact CB-CZ 3.72Å; L947-F949 HydrophobicContact CD1-CZ 4.39Å; L947-F949 WeakPolarHBondContact O-CE2 3.26Å; F949-E954 HydrophobicContact CB-CB 4.32Å; F949-E954 HydrophobicContact CD1-CB 4.34Å; F949-R955 HydrophobicContact CB-CB 4.4Å; F949-R955 HydrophobicContact CD2-CB 3.69Å; F949-R955 HydrophobicContact CD2-CG 4Å; F949-R955 HydrophobicContact CE2-CB 4.15Å; F949-R955 HydrophobicContact CE2-CG 4.06Å; F949-R955 HydrophobicContact CG-CB 3.93Å; F949-L958 HydrophobicContact CE1-CB 4.2Å; F949-L958 HydrophobicContact CE1-CD2 3.88Å; F949-L958 HydrophobicContact CZ-CB 4.42Å; F949-L958 HydrophobicContact CZ-CD2 3.47Å; F949-L958 VanDerWaalsContact CZ-CD2 3.47Å
950	S	87.4	Confident	86.3	Confident	55 Å²	55	48.2 Å²	48.2	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	-70.4	-32.3	172.3	53.4	0	0	0	0	113.2	A683	A683-S950 VanDerWaalsContact O-CB 3.27Å; A683-S950 WeakPolarHBondContact O-CB 3.29Å; A683-S950 PolarHBondContact O-OG 2.7Å
951	G	87.1	Confident	88	Confident	19 Å²	19	41.6 Å²	41.6	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	-158.6	162.8	-174	0	0	0	0	0	111.7	E953 E954 R955	G951-E953 VanDerWaalsContact C-N 3.26Å; G951-E953 PolarHBondContact O-N 3Å; G951-E954 PolarHBondContact O-N 3.49Å; G951-R955 PolarHBondContact O-N 2.76Å
952	C	89.4	Confident	89.3	Confident	41 Å²	41	34.2 Å²	34.2	28%	0.277	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-32.7	175.2	-65.5	0	0	0	0	112.5	E954 R955 D956	C952-E954 VanDerWaalsContact C-N 3.32Å; C952-E954 PolarHBondContact O-N 3.08Å; C952-R955 WeakPolarHBondContact O-CB 3.18Å; C952-R955 PolarHBondContact O-N 2.99Å; C952-D956 WeakPolarHBondContact O-CB 2.79Å; C952-D956 PolarHBondContact O-N 2.71Å
953	E	89.1	Confident	90.4	Very high	146 Å²	146	33.6 Å²	33.6	68%	0.682	18%	0.184	S	C	*	.	H	α-helix	trans	-61.1	-39.3	177.8	-61.8	-174.2	-172.3	0	0	112.2	G951 D956 R957	G951-E953 VanDerWaalsContact C-N 3.26Å; G951-E953 PolarHBondContact O-N 3Å; E953-D956 PolarHBondContact O-N 3.16Å; E953-R957 VanDerWaalsContact O-CB 3.26Å; E953-R957 WeakPolarHBondContact O-CB 3.45Å; E953-R957 PolarHBondContact O-N 3.34Å
954	E	91.1	Very high	91.1	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-72.6	-36.3	177.3	-74.6	-71	177	0	0	112.5	Q665 D684 G685 F949 G951 C952 R957 L958	Q665-E954 PolarHBondContact NE2-OE1 2.91Å; D684-E954 WeakPolarHBondContact CA-OE1 3.39Å; G685-E954 PolarHBondContact N-OE1 2.9Å; F949-E954 HydrophobicContact CB-CB 4.32Å; F949-E954 HydrophobicContact CD1-CB 4.34Å; G951-E954 PolarHBondContact O-N 3.49Å; C952-E954 VanDerWaalsContact C-N 3.32Å; C952-E954 PolarHBondContact O-N 3.08Å; E954-R957 IonicContact OE1-CZ 3.45Å; E954-R957 IonicContact OE1-NE 2.7Å; E954-R957 IonicContact OE1-NH2 2.8Å; E954-R957 IonicContact OE2-CZ 3.67Å; E954-R957 IonicContact OE2-NE 3.39Å; E954-R957 PolarHBondContact OE2-NE 3.26Å; E954-R957 IonicContact OE2-NH2 3.22Å; E954-R957 PolarHBondContact OE2-NH2 2.93Å; E954-L958 PolarHBondContact O-N 3Å; E954-L958 VanDerWaalsContact O-N 3.17Å
955	R	92.5	Very high	91.3	Very high	27 Å²	27	35.2 Å²	35.2	10%	0.102	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-48	168.8	-179.6	-158.4	71.2	179.7	1.8	110.6	E924 K927 Y929 C930 F949 G951 C952 L958 L959	E924-R955 PolarHBondContact O-NH1 3.28Å; K927-R955 WeakPolarHBondContact O-CD 3.34Å; K927-R955 PolarHBondContact O-NH1 3.01Å; Y929-R955 WeakPolarHBondContact O-CD 3.2Å; C930-R955 HydrophobicContact CB-CG 4.46Å; F949-R955 HydrophobicContact CB-CB 4.4Å; F949-R955 HydrophobicContact CD2-CB 3.69Å; F949-R955 HydrophobicContact CD2-CG 4Å; F949-R955 HydrophobicContact CE2-CB 4.15Å; F949-R955 HydrophobicContact CE2-CG 4.06Å; F949-R955 HydrophobicContact CG-CB 3.93Å; G951-R955 PolarHBondContact O-N 2.76Å; C952-R955 WeakPolarHBondContact O-CB 3.18Å; C952-R955 PolarHBondContact O-N 2.99Å; R955-L958 WeakPolarHBondContact O-CB 3.45Å; R955-L958 PolarHBondContact O-N 2.75Å; R955-L958 VanDerWaalsContact O-N 3.17Å; R955-L959 WeakPolarHBondContact O-CG 3.47Å; R955-L959 PolarHBondContact O-N 3.16Å
956	D	91.9	Very high	91.3	Very high	62 Å²	62	36 Å²	36	33%	0.332	19%	0.186	S	C	.	.	H	α-helix	trans	-72.6	-32.7	-174.8	-65.8	-16.6	0	0	0	111.6	C952 E953 L958 L959 D960	C952-D956 WeakPolarHBondContact O-CB 2.79Å; C952-D956 PolarHBondContact O-N 2.71Å; E953-D956 PolarHBondContact O-N 3.16Å; D956-L958 VanDerWaalsContact C-N 3.3Å; D956-L958 PolarHBondContact O-N 2.8Å; D956-L959 PolarHBondContact O-N 2.78Å; D956-L959 VanDerWaalsContact O-N 3.1Å; D956-D960 PolarHBondContact O-N 3.21Å
957	R	93.3	Very high	91.4	Very high	70 Å²	70	40 Å²	40	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-60.2	-36	168.6	-166.1	176.5	72	124.5	12.7	112.8	D663 Q665 L741 Y742 E953 E954 A961	D663-R957 PolarHBondContact O-NH1 2.99Å; Q665-R957 VanDerWaalsContact NE2-NH2 3.1Å; L741-R957 HydrophobicContact CD1-CG 3.91Å; Y742-R957 PolarHBondContact O-NH2 2.85Å; E953-R957 VanDerWaalsContact O-CB 3.26Å; E953-R957 WeakPolarHBondContact O-CB 3.45Å; E953-R957 PolarHBondContact O-N 3.34Å; E954-R957 IonicContact OE1-CZ 3.45Å; E954-R957 IonicContact OE1-NE 2.7Å; E954-R957 IonicContact OE1-NH2 2.8Å; E954-R957 IonicContact OE2-CZ 3.67Å; E954-R957 IonicContact OE2-NE 3.39Å; E954-R957 PolarHBondContact OE2-NE 3.26Å; E954-R957 IonicContact OE2-NH2 3.22Å; E954-R957 PolarHBondContact OE2-NH2 2.93Å; R957-A961 WeakPolarHBondContact O-CB 3.5Å; R957-A961 PolarHBondContact O-N 3.13Å
958	L	93.8	Very high	91.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-45.2	169.1	175.2	65.8	0	0	0	112.1	L741 L888 V890 L947 F949 E954 R955 D956 D960 A961 L962	L741-L958 HydrophobicContact CD2-CB 3.98Å; L741-L958 HydrophobicContact CD2-CD1 3.68Å; L741-L958 HydrophobicContact CD2-CG 4.46Å; L888-L958 HydrophobicContact CD2-CD1 3.77Å; L888-L958 HydrophobicContact CD2-CD2 3.65Å; L888-L958 HydrophobicContact CD2-CG 4.32Å; V890-L958 HydrophobicContact CG2-CD1 3.49Å; V890-L958 VanDerWaalsContact CG2-CD1 3.49Å; L947-L958 HydrophobicContact CD1-CD2 3.88Å; F949-L958 HydrophobicContact CE1-CB 4.2Å; F949-L958 HydrophobicContact CE1-CD2 3.88Å; F949-L958 HydrophobicContact CZ-CB 4.42Å; F949-L958 HydrophobicContact CZ-CD2 3.47Å; F949-L958 VanDerWaalsContact CZ-CD2 3.47Å; E954-L958 PolarHBondContact O-N 3Å; E954-L958 VanDerWaalsContact O-N 3.17Å; R955-L958 WeakPolarHBondContact O-CB 3.45Å; R955-L958 PolarHBondContact O-N 2.75Å; R955-L958 VanDerWaalsContact O-N 3.17Å; D956-L958 VanDerWaalsContact C-N 3.3Å; D956-L958 PolarHBondContact O-N 2.8Å; L958-D960 VanDerWaalsContact C-N 3.35Å; L958-D960 PolarHBondContact O-N 2.91Å; L958-A961 PolarHBondContact O-N 2.96Å; L958-L962 VanDerWaalsContact O-CB 3.28Å; L958-L962 WeakPolarHBondContact O-CB 3.36Å; L958-L962 PolarHBondContact O-N 2.89Å
959	L	92.4	Very high	91.2	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-43.1	-179.4	-65.3	174.1	0	0	0	111.7	V921 L923 R955 D956 L962 N963	V921-L959 HydrophobicContact CG1-CD2 3.75Å; L923-L959 HydrophobicContact CD1-CD1 3.61Å; L923-L959 HydrophobicContact CD1-CD2 4.27Å; L923-L959 HydrophobicContact CD2-CD1 3.9Å; L923-L959 HydrophobicContact CD2-CD2 4.26Å; L923-L959 HydrophobicContact CG-CD1 4.42Å; R955-L959 WeakPolarHBondContact O-CG 3.47Å; R955-L959 PolarHBondContact O-N 3.16Å; D956-L959 PolarHBondContact O-N 2.78Å; D956-L959 VanDerWaalsContact O-N 3.1Å; L959-L962 PolarHBondContact O-N 2.84Å; L959-N963 WeakPolarHBondContact O-CB 3.34Å; L959-N963 PolarHBondContact O-N 3.34Å
960	D	93.2	Very high	91	Very high	120 Å²	120	52.4 Å²	52.4	64%	0.642	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-45	175.4	-86.2	-18.5	0	0	0	112.1	D956 L958 K964	D956-D960 PolarHBondContact O-N 3.21Å; L958-D960 VanDerWaalsContact C-N 3.35Å; L958-D960 PolarHBondContact O-N 2.91Å; D960-K964 WeakPolarHBondContact O-CB 3.49Å; D960-K964 PolarHBondContact O-N 2.81Å
961	A	93	Very high	91.1	Very high	11 Å²	11	58 Å²	58	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-64.4	-40.3	178.1	0	0	0	0	0	112.7	L741 R957 L958 T965	L741-A961 HydrophobicContact CB-CB 3.89Å; L741-A961 HydrophobicContact CD2-CB 4.09Å; L741-A961 HydrophobicContact CG-CB 4.45Å; R957-A961 WeakPolarHBondContact O-CB 3.5Å; R957-A961 PolarHBondContact O-N 3.13Å; L958-A961 PolarHBondContact O-N 2.96Å; A961-T965 WeakPolarHBondContact O-CG2 3.46Å; A961-T965 PolarHBondContact O-N 3.05Å; A961-T965 PolarHBondContact O-OG1 3.28Å
962	L	92.6	Very high	91.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-75.5	-39.9	179.6	-174.6	63.7	0	0	0	112.2	I915 V921 I932 L958 L959 K964 T965 W966 L974	I915-L962 HydrophobicContact CG2-CD1 4.45Å; V921-L962 HydrophobicContact CG2-CD2 4.11Å; I932-L962 HydrophobicContact CD1-CD2 4.25Å; L958-L962 VanDerWaalsContact O-CB 3.28Å; L958-L962 WeakPolarHBondContact O-CB 3.36Å; L958-L962 PolarHBondContact O-N 2.89Å; L959-L962 PolarHBondContact O-N 2.84Å; L962-K964 VanDerWaalsContact C-N 3.35Å; L962-T965 PolarHBondContact O-N 2.62Å; L962-T965 PolarHBondContact O-OG1 3.23Å; L962-T965 VanDerWaalsContact O-OG1 3.11Å; L962-W966 WeakPolarHBondContact O-CB 3.07Å; L962-W966 PolarHBondContact O-N 3.24Å; L962-L974 HydrophobicContact CB-CD2 4.44Å; L962-L974 HydrophobicContact CD2-CD2 3.9Å; L962-L974 HydrophobicContact CG-CD2 3.86Å
963	N	92.5	Very high	91	Very high	31 Å²	31	63.4 Å²	63.4	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-40	174.9	-175.3	28	0	0	0	110.9	L959 K967 L974	L959-N963 WeakPolarHBondContact O-CB 3.34Å; L959-N963 PolarHBondContact O-N 3.34Å; N963-K967 WeakPolarHBondContact O-CB 3.39Å; N963-K967 PolarHBondContact O-N 2.68Å; N963-L974 HydrophobicContact CB-CB 4.15Å; N963-L974 WeakPolarHBondContact OD1-CB 3.4Å; N963-L974 PolarHBondContact OD1-N 2.87Å
964	K	92.6	Very high	91	Very high	106 Å²	106	56.8 Å²	56.8	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-53.8	173.4	179.6	-166.9	171.3	-160.7	0	112	D960 L962 W966 K967 D968	D960-K964 WeakPolarHBondContact O-CB 3.49Å; D960-K964 PolarHBondContact O-N 2.81Å; L962-K964 VanDerWaalsContact C-N 3.35Å; K964-W966 PolarHBondContact O-N 2.68Å; K964-K967 PolarHBondContact O-N 3.37Å; K964-D968 PolarHBondContact O-N 3.31Å
965	T	90.8	Very high	90.7	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-39.5	-179	51.7	0	0	0	0	112.3	Q740 V890 A961 L962 K967 D968 I969	Q740-T965 HydrophobicContact CB-CG2 4.19Å; Q740-T965 HydrophobicContact CG-CG2 3.7Å; V890-T965 HydrophobicContact CG1-CG2 4.36Å; A961-T965 WeakPolarHBondContact O-CG2 3.46Å; A961-T965 PolarHBondContact O-N 3.05Å; A961-T965 PolarHBondContact O-OG1 3.28Å; L962-T965 PolarHBondContact O-N 2.62Å; L962-T965 PolarHBondContact O-OG1 3.23Å; L962-T965 VanDerWaalsContact O-OG1 3.11Å; T965-K967 VanDerWaalsContact C-N 3.34Å; T965-K967 PolarHBondContact O-N 2.73Å; T965-D968 PolarHBondContact O-N 2.71Å; T965-I969 VanDerWaalsContact O-CG1 3.32Å; T965-I969 WeakPolarHBondContact O-CG1 3.14Å; T965-I969 PolarHBondContact O-N 3.13Å; T965-I969 VanDerWaalsContact O-N 3.13Å
966	W	90.9	Very high	90.5	Very high	28 Å²	28	62.2 Å²	62.2	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-45.6	171.4	179.1	-91.9	0	0	0	111.9	I915 V918 L962 K964 I969 F970 L974	I915-W966 HydrophobicContact CG2-CE3 4.28Å; I915-W966 WeakPolarHBondContact O-CZ3 3.4Å; V918-W966 HydrophobicContact CB-CE3 4.38Å; V918-W966 HydrophobicContact CB-CZ3 4.06Å; V918-W966 WeakPolarHBondContact O-CH2 3.2Å; V918-W966 WeakPolarHBondContact O-CZ3 3.26Å; L962-W966 WeakPolarHBondContact O-CB 3.07Å; L962-W966 PolarHBondContact O-N 3.24Å; K964-W966 PolarHBondContact O-N 2.68Å; W966-I969 PolarHBondContact O-N 3.2Å; W966-F970 AromaticContact CD2-CD2 3.54Å; W966-F970 HydrophobicContact CD2-CD2 3.54Å; W966-F970 AromaticContact CD2-CE2 3.94Å; W966-F970 HydrophobicContact CD2-CE2 3.94Å; W966-F970 AromaticContact CE2-CD2 3.59Å; W966-F970 AromaticContact CE3-CD2 3.67Å; W966-F970 HydrophobicContact CE3-CD2 3.67Å; W966-F970 AromaticContact CE3-CE2 3.54Å; W966-F970 HydrophobicContact CE3-CE2 3.54Å; W966-F970 HydrophobicContact CG-CD2 4.16Å; W966-F970 AromaticContact CH2-CD2 3.87Å; W966-F970 HydrophobicContact CH2-CD2 3.87Å; W966-F970 AromaticContact CH2-CE2 3.61Å; W966-F970 HydrophobicContact CH2-CE2 3.61Å; W966-F970 HydrophobicContact CH2-CZ 4.13Å; W966-F970 AromaticContact CZ2-CD2 3.77Å; W966-F970 HydrophobicContact CZ2-CD2 3.77Å; W966-F970 HydrophobicContact CZ2-CE2 4.01Å; W966-F970 HydrophobicContact CZ2-CG 4.24Å; W966-F970 AromaticContact CZ3-CD2 3.82Å; W966-F970 HydrophobicContact CZ3-CD2 3.82Å; W966-F970 AromaticContact CZ3-CE2 3.36Å; W966-F970 HydrophobicContact CZ3-CE2 3.36Å; W966-F970 HydrophobicContact CZ3-CZ 4.14Å; W966-F970 WeakPolarHBondContact O-CD2 3.13Å; W966-F970 PolarHBondContact O-N 3.01Å; W966-L974 HydrophobicContact CB-CB 4.36Å; W966-L974 HydrophobicContact CB-CD1 4.12Å; W966-L974 VanDerWaalsContact CD1-CA 3.49Å; W966-L974 HydrophobicContact CD2-CD1 3.54Å; W966-L974 HydrophobicContact CE3-CD1 3.87Å; W966-L974 HydrophobicContact CG-CB 4.08Å; W966-L974 HydrophobicContact CG-CD1 3.63Å; W966-L974 HydrophobicContact CG-CG 4.45Å
967	K	91.3	Very high	90.3	Very high	90 Å²	90	66.3 Å²	66.3	39%	0.391	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-34.8	179.5	-168.6	169	-166.5	157.6	0	113	N963 K964 T965 I969 Q971 V972 D973	N963-K967 WeakPolarHBondContact O-CB 3.39Å; N963-K967 PolarHBondContact O-N 2.68Å; K964-K967 PolarHBondContact O-N 3.37Å; T965-K967 VanDerWaalsContact C-N 3.34Å; T965-K967 PolarHBondContact O-N 2.73Å; K967-I969 VanDerWaalsContact C-N 3.3Å; K967-I969 PolarHBondContact O-N 3.39Å; K967-Q971 WeakPolarHBondContact O-CA 3.42Å; K967-Q971 PolarHBondContact O-N 3.08Å; K967-V972 WeakPolarHBondContact CA-O 3.34Å; K967-D973 IonicContact NZ-OD1 3.07Å; K967-D973 PolarHBondContact NZ-OD1 2.97Å; K967-D973 IonicContact NZ-OD2 2.76Å; K967-D973 PolarHBondContact NZ-OD2 3.32Å
968	D	89.8	Confident	89.8	Confident	117 Å²	117	69.4 Å²	69.4	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-65.4	-32.6	173	-72.8	-27.7	0	0	0	111.9	K964 T965	K964-D968 PolarHBondContact O-N 3.31Å; T965-D968 PolarHBondContact O-N 2.71Å
969	I	87.9	Confident	89.2	Confident	63 Å²	63	70 Å²	70	32%	0.323	34%	0.342	S	S	.	.	H	α-helix	trans	-80.2	-52.5	176	-63.3	163.9	0	0	0	111.9	I915 T965 W966 K967	I915-I969 HydrophobicContact CB-CD1 4.21Å; I915-I969 HydrophobicContact CG2-CD1 3.87Å; T965-I969 VanDerWaalsContact O-CG1 3.32Å; T965-I969 WeakPolarHBondContact O-CG1 3.14Å; T965-I969 PolarHBondContact O-N 3.13Å; T965-I969 VanDerWaalsContact O-N 3.13Å; W966-I969 PolarHBondContact O-N 3.2Å; K967-I969 VanDerWaalsContact C-N 3.3Å; K967-I969 PolarHBondContact O-N 3.39Å
970	F	88.6	Confident	88.5	Confident	85 Å²	85	75.4 Å²	75.4	37%	0.373	37%	0.37	S	S	.	.	H	α-helix	trans	-102.7	-12.1	-166	-67.2	-74.4	0	0	0	115	C916 W966 V972	C916-F970 HydrophobicContact CB-CZ 4.07Å; W966-F970 AromaticContact CD2-CD2 3.54Å; W966-F970 HydrophobicContact CD2-CD2 3.54Å; W966-F970 AromaticContact CD2-CE2 3.94Å; W966-F970 HydrophobicContact CD2-CE2 3.94Å; W966-F970 AromaticContact CE2-CD2 3.59Å; W966-F970 AromaticContact CE3-CD2 3.67Å; W966-F970 HydrophobicContact CE3-CD2 3.67Å; W966-F970 AromaticContact CE3-CE2 3.54Å; W966-F970 HydrophobicContact CE3-CE2 3.54Å; W966-F970 HydrophobicContact CG-CD2 4.16Å; W966-F970 AromaticContact CH2-CD2 3.87Å; W966-F970 HydrophobicContact CH2-CD2 3.87Å; W966-F970 AromaticContact CH2-CE2 3.61Å; W966-F970 HydrophobicContact CH2-CE2 3.61Å; W966-F970 HydrophobicContact CH2-CZ 4.13Å; W966-F970 AromaticContact CZ2-CD2 3.77Å; W966-F970 HydrophobicContact CZ2-CD2 3.77Å; W966-F970 HydrophobicContact CZ2-CE2 4.01Å; W966-F970 HydrophobicContact CZ2-CG 4.24Å; W966-F970 AromaticContact CZ3-CD2 3.82Å; W966-F970 HydrophobicContact CZ3-CD2 3.82Å; W966-F970 AromaticContact CZ3-CE2 3.36Å; W966-F970 HydrophobicContact CZ3-CE2 3.36Å; W966-F970 HydrophobicContact CZ3-CZ 4.14Å; W966-F970 WeakPolarHBondContact O-CD2 3.13Å; W966-F970 PolarHBondContact O-N 3.01Å; F970-V972 PolarHBondContact O-N 3.35Å
971	Q	88.9	Confident	88	Confident	173 Å²	173	73.3 Å²	73.3	81%	0.808	36%	0.359	S	S	*	.	S	Bend	trans	61.3	19.7	-175.7	-55.6	173.5	35.1	0	0	114.5	K967	K967-Q971 WeakPolarHBondContact O-CA 3.42Å; K967-Q971 PolarHBondContact O-N 3.08Å
972	V	89.6	Confident	87.4	Confident	93 Å²	93	77 Å²	77	56%	0.564	38%	0.382	S	S	*	.	S	Bend	trans	-130.5	149.8	174.3	-164.7	0	0	0	0	108.1	K967 F970	K967-V972 WeakPolarHBondContact CA-O 3.34Å; F970-V972 PolarHBondContact O-N 3.35Å
973	D	85.6	Confident	86.7	Confident	81 Å²	81	83.5 Å²	83.5	43%	0.433	42%	0.416	S	S	.	.			trans	-65	152.3	171.7	-65.2	-79.5	0	0	0	112.2	K967	K967-D973 IonicContact NZ-OD1 3.07Å; K967-D973 PolarHBondContact NZ-OD1 2.97Å; K967-D973 IonicContact NZ-OD2 2.76Å; K967-D973 PolarHBondContact NZ-OD2 3.32Å
974	L	87.8	Confident	86.2	Confident	6 Å²	6	83.7 Å²	83.7	3%	0.031	42%	0.418	C	S	.	.			trans	-67	133	-179.7	-175.6	67.2	0	0	0	111.3	V918 V921 L962 N963 W966 H976	V918-L974 HydrophobicContact CG1-CD1 4.02Å; V921-L974 HydrophobicContact CG2-CD2 3.73Å; V921-L974 HydrophobicContact CG2-CG 4.34Å; L962-L974 HydrophobicContact CB-CD2 4.44Å; L962-L974 HydrophobicContact CD2-CD2 3.9Å; L962-L974 HydrophobicContact CG-CD2 3.86Å; N963-L974 HydrophobicContact CB-CB 4.15Å; N963-L974 WeakPolarHBondContact OD1-CB 3.4Å; N963-L974 PolarHBondContact OD1-N 2.87Å; W966-L974 HydrophobicContact CB-CB 4.36Å; W966-L974 HydrophobicContact CB-CD1 4.12Å; W966-L974 VanDerWaalsContact CD1-CA 3.49Å; W966-L974 HydrophobicContact CD2-CD1 3.54Å; W966-L974 HydrophobicContact CE3-CD1 3.87Å; W966-L974 HydrophobicContact CG-CB 4.08Å; W966-L974 HydrophobicContact CG-CD1 3.63Å; W966-L974 HydrophobicContact CG-CG 4.45Å; L974-H976 PolarHBondContact O-N 2.9Å; L974-H976 PolarHBondContact O-ND1 2.79Å; L974-H976 VanDerWaalsContact O-ND1 3.16Å
975	P	85.9	Confident	85.8	Confident	56 Å²	56	81.5 Å²	81.5	36%	0.364	41%	0.41	S	S	.	.			trans	-68.4	100.5	177.7	-23.1	35.9	0	0	0	112.9	T920 V921	T920-P975 WeakPolarHBondContact CA-O 3.41Å; T920-P975 HydrophobicContact CG2-CB 3.96Å; V921-P975 PolarHBondContact N-O 3.19Å
976	H	88.1	Confident	85.3	Confident	93 Å²	93	87.5 Å²	87.5	43%	0.431	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.3	169.9	-61.5	104.5	0	0	0	111.4	V921 L974	V921-H976 WeakPolarHBondContact O-CA 3.49Å; L974-H976 PolarHBondContact O-N 2.9Å; L974-H976 PolarHBondContact O-ND1 2.79Å; L974-H976 VanDerWaalsContact O-ND1 3.16Å
977	R	86.9	Confident	85	Confident	147 Å²	147	89.6 Å²	89.6	56%	0.555	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.5	-179.3	-167.4	-175.4	-175.9	175.3	1.9	110.7	V921 S922 L923 L979	V921-R977 PolarHBondContact O-N 2.99Å; S922-R977 CarbonylContact C-O 3.52Å; S922-R977 VanDerWaalsContact CA-O 3.31Å; S922-R977 WeakPolarHBondContact CA-O 3.47Å; L923-R977 PolarHBondContact N-O 3.42Å; R977-L979 PolarHBondContact O-N 2.93Å
978	E	83.8	Confident	84.6	Confident	136 Å²	136	85.3 Å²	85.3	64%	0.636	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.9	165.8	-68	176.1	178.6	0	0	109.7	L980	E978-L980 HydrophobicContact CB-CD2 4.29Å; E978-L980 HydrophobicContact CB-CG 4.24Å; E978-L980 PolarHBondContact O-N 3.1Å; E978-L980 VanDerWaalsContact O-N 3.08Å
979	L	80.9	Confident	84.3	Confident	14 Å²	14	81 Å²	81	7%	0.073	41%	0.407	C	S	.	.			trans	-73.9	98.1	175.8	-174.7	80.3	0	0	0	109	L923 Y929 V931 R977 V984 Q985	L923-L979 WeakPolarHBondContact O-CB 3.22Å; L923-L979 PolarHBondContact O-N 3.06Å; Y929-L979 HydrophobicContact CE2-CD2 3.88Å; Y929-L979 WeakPolarHBondContact OH-CD2 3.31Å; V931-L979 HydrophobicContact CG2-CD1 4.28Å; R977-L979 PolarHBondContact O-N 2.93Å; L979-V984 HydrophobicContact CD1-CB 4.41Å; L979-V984 HydrophobicContact CD1-CG1 4.08Å; L979-V984 HydrophobicContact CD2-CB 4.45Å; L979-V984 HydrophobicContact CD2-CG1 4.08Å; L979-Q985 HydrophobicContact CD2-CG 3.95Å; L979-Q985 HydrophobicContact CG-CG 4.32Å; L979-Q985 PolarHBondContact O-NE2 2.81Å
980	L	76.9	Confident	84.1	Confident	130 Å²	130	83 Å²	83	68%	0.681	42%	0.415	S	S	*	.			trans	-100.5	3.9	-175.7	-64	175.7	0	0	0	114.8	E978 P982	E978-L980 HydrophobicContact CB-CD2 4.29Å; E978-L980 HydrophobicContact CB-CG 4.24Å; E978-L980 PolarHBondContact O-N 3.1Å; E978-L980 VanDerWaalsContact O-N 3.08Å; L980-P982 VanDerWaalsContact O-CD 3.3Å; L980-P982 WeakPolarHBondContact O-CD 3.36Å
981	D	83.1	Confident	83.8	Confident	75 Å²	75	79.3 Å²	79.3	40%	0.401	40%	0.401	S	S	.	.			trans	-84.3	112.5	176.8	-172.4	-30.7	0	0	0	110.7	L983 V984 Q985	D981-L983 PolarHBondContact O-N 3.13Å; D981-L983 WeakPolarHBondContact OD1-CB 3.47Å; D981-L983 PolarHBondContact OD1-N 2.89Å; D981-V984 HydrophobicContact CB-CB 4.17Å; D981-V984 HydrophobicContact CB-CG2 3.96Å; D981-V984 PolarHBondContact O-N 2.83Å; D981-V984 PolarHBondContact OD1-N 3.49Å; D981-Q985 WeakPolarHBondContact O-CB 3.32Å; D981-Q985 WeakPolarHBondContact O-CG 3.39Å; D981-Q985 PolarHBondContact O-N 2.82Å
982	P	80.2	Confident	83.5	Confident	88 Å²	88	71.5 Å²	71.5	57%	0.571	37%	0.365	S	S	*	.	H	α-helix	trans	-66.6	-21.7	-177.1	-19.6	34	0	0	0	113.9	L980 K986	L980-P982 VanDerWaalsContact O-CD 3.3Å; L980-P982 WeakPolarHBondContact O-CD 3.36Å; P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.16Å
983	L	78.6	Confident	83.2	Confident	138 Å²	138	72.6 Å²	72.6	72%	0.723	36%	0.363	S	S	*	.	H	α-helix	trans	-76	-40.7	176.5	-62	175.2	0	0	0	110.7	D981 R987	D981-L983 PolarHBondContact O-N 3.13Å; D981-L983 WeakPolarHBondContact OD1-CB 3.47Å; D981-L983 PolarHBondContact OD1-N 2.89Å; L983-R987 WeakPolarHBondContact O-CB 3.31Å; L983-R987 PolarHBondContact O-N 2.64Å; L983-R987 VanDerWaalsContact O-N 3.08Å
984	V	81.2	Confident	82.8	Confident	35 Å²	35	71.9 Å²	71.9	21%	0.212	36%	0.359	C	S	.	.	H	α-helix	trans	-70.9	-47.7	176.2	-174	0	0	0	0	110.3	V931 L979 D981 K986 R987 C988	V931-V984 HydrophobicContact CG2-CG1 4.4Å; L979-V984 HydrophobicContact CD1-CB 4.41Å; L979-V984 HydrophobicContact CD1-CG1 4.08Å; L979-V984 HydrophobicContact CD2-CB 4.45Å; L979-V984 HydrophobicContact CD2-CG1 4.08Å; D981-V984 HydrophobicContact CB-CB 4.17Å; D981-V984 HydrophobicContact CB-CG2 3.96Å; D981-V984 PolarHBondContact O-N 2.83Å; D981-V984 PolarHBondContact OD1-N 3.49Å; V984-K986 PolarHBondContact O-N 2.87Å; V984-R987 PolarHBondContact O-N 2.74Å; V984-C988 WeakPolarHBondContact O-CB 3.5Å; V984-C988 PolarHBondContact O-N 2.94Å; V984-C988 PolarHBondContact O-SG 3.25Å
985	Q	84.8	Confident	82.3	Confident	61 Å²	61	72.8 Å²	72.8	29%	0.285	36%	0.364	S	S	.	.	H	α-helix	trans	-50.9	-54.5	173	-75.3	176.9	-14.6	0	0	111.3	L979 D981 R987 C988 G989	L979-Q985 HydrophobicContact CD2-CG 3.95Å; L979-Q985 HydrophobicContact CG-CG 4.32Å; L979-Q985 PolarHBondContact O-NE2 2.81Å; D981-Q985 WeakPolarHBondContact O-CB 3.32Å; D981-Q985 WeakPolarHBondContact O-CG 3.39Å; D981-Q985 PolarHBondContact O-N 2.82Å; Q985-R987 VanDerWaalsContact C-N 3.34Å; Q985-R987 PolarHBondContact O-N 3.44Å; Q985-C988 PolarHBondContact O-N 2.92Å; Q985-G989 PolarHBondContact O-N 3.42Å
986	K	81.4	Confident	81.9	Confident	128 Å²	128	74 Å²	74	56%	0.557	36%	0.363	S	S	*	.	H	α-helix	trans	-57.8	-47.2	-179.1	177.4	179.4	171.3	-176	0	111.5	P982 V984 G989 E990	P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.16Å; V984-K986 PolarHBondContact O-N 2.87Å; K986-G989 PolarHBondContact O-N 2.91Å; K986-E990 WeakPolarHBondContact CE-OE1 3.33Å; K986-E990 WeakPolarHBondContact CE-OE2 2.91Å; K986-E990 HydrophobicContact CG-CG 4.47Å; K986-E990 IonicContact NZ-OE1 2.77Å; K986-E990 PolarHBondContact NZ-OE1 2.93Å; K986-E990 VanDerWaalsContact NZ-OE1 3.15Å; K986-E990 WeakPolarHBondContact O-CB 3.44Å; K986-E990 WeakPolarHBondContact O-CG 3.41Å; K986-E990 PolarHBondContact O-N 3.4Å
987	R	83.2	Confident	80.9	Confident	73 Å²	73	70.7 Å²	70.7	28%	0.275	35%	0.35	S	S	.	.	H	α-helix	trans	-65.1	-43.4	-177.4	-177.4	-171.6	70.8	126.8	24.9	112.1	E748 M753 L983 V984 Q985 E990 A991	E748-R987 IonicContact OE1-CZ 3.73Å; E748-R987 IonicContact OE1-NH1 2.66Å; E748-R987 PolarHBondContact OE1-NH1 2.61Å; E748-R987 IonicContact OE1-NH2 3.47Å; E748-R987 PolarHBondContact OE1-NH2 3.14Å; E748-R987 IonicContact OE2-CZ 2.92Å; E748-R987 IonicContact OE2-NH1 3.77Å; E748-R987 IonicContact OE2-NH2 2.87Å; E748-R987 PolarHBondContact OE2-NH2 3.09Å; E748-R987 VanDerWaalsContact OE2-NH2 3.09Å; M753-R987 VanDerWaalsContact CE-NH1 3.31Å; L983-R987 WeakPolarHBondContact O-CB 3.31Å; L983-R987 PolarHBondContact O-N 2.64Å; L983-R987 VanDerWaalsContact O-N 3.08Å; V984-R987 PolarHBondContact O-N 2.74Å; Q985-R987 VanDerWaalsContact C-N 3.34Å; Q985-R987 PolarHBondContact O-N 3.44Å; R987-E990 PolarHBondContact O-N 2.59Å; R987-A991 WeakPolarHBondContact O-CB 3.18Å; R987-A991 PolarHBondContact O-N 3.43Å
988	C	84.6	Confident	79.9	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-71	-34.6	178.4	-56.8	0	0	0	0	111	Y929 Y948 V984 Q985 A991 L992	Y929-C988 HydrophobicContact CD1-CB 4.28Å; Y929-C988 HydrophobicContact CD2-CB 3.82Å; Y929-C988 HydrophobicContact CE1-CB 3.92Å; Y929-C988 HydrophobicContact CE2-CB 3.4Å; Y929-C988 VanDerWaalsContact CE2-CB 3.4Å; Y929-C988 HydrophobicContact CG-CB 4.26Å; Y929-C988 VanDerWaalsContact CZ-CB 3.48Å; Y948-C988 HydrophobicContact CE1-CB 3.92Å; Y948-C988 WeakPolarHBondContact CE1-O 3.48Å; V984-C988 WeakPolarHBondContact O-CB 3.5Å; V984-C988 PolarHBondContact O-N 2.94Å; V984-C988 PolarHBondContact O-SG 3.25Å; Q985-C988 PolarHBondContact O-N 2.92Å; C988-A991 PolarHBondContact O-N 3.4Å; C988-L992 WeakPolarHBondContact O-CB 3.41Å; C988-L992 PolarHBondContact O-N 3.38Å
989	G	83.4	Confident	78.9	Confident	25 Å²	25	62.2 Å²	62.2	26%	0.258	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-46.4	168.6	0	0	0	0	0	113.1	Q985 K986 A991 L992 E993	Q985-G989 PolarHBondContact O-N 3.42Å; K986-G989 PolarHBondContact O-N 2.91Å; G989-A991 VanDerWaalsContact C-N 3.32Å; G989-A991 PolarHBondContact O-N 2.86Å; G989-L992 PolarHBondContact O-N 3.38Å; G989-E993 WeakPolarHBondContact O-CB 3.43Å; G989-E993 WeakPolarHBondContact O-CG 3.46Å; G989-E993 PolarHBondContact O-N 3.23Å
990	E	82.8	Confident	77.6	Confident	106 Å²	106	67.7 Å²	67.7	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-36.5	174.9	-76.8	177.9	160.1	0	0	111.8	K986 R987 L994	K986-E990 WeakPolarHBondContact CE-OE1 3.33Å; K986-E990 WeakPolarHBondContact CE-OE2 2.91Å; K986-E990 HydrophobicContact CG-CG 4.47Å; K986-E990 IonicContact NZ-OE1 2.77Å; K986-E990 PolarHBondContact NZ-OE1 2.93Å; K986-E990 VanDerWaalsContact NZ-OE1 3.15Å; K986-E990 WeakPolarHBondContact O-CB 3.44Å; K986-E990 WeakPolarHBondContact O-CG 3.41Å; K986-E990 PolarHBondContact O-N 3.4Å; R987-E990 PolarHBondContact O-N 2.59Å; E990-L994 WeakPolarHBondContact O-CB 3.5Å; E990-L994 VanDerWaalsContact O-CG 3.26Å; E990-L994 WeakPolarHBondContact O-CG 3.43Å; E990-L994 PolarHBondContact O-N 2.66Å
991	A	82	Confident	76.3	Confident	8 Å²	8	65 Å²	65	7%	0.066	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-44.9	173.8	0	0	0	0	0	112.7	Y948 R987 C988 G989 L994 M995	Y948-A991 HydrophobicContact CE1-CB 3.85Å; R987-A991 WeakPolarHBondContact O-CB 3.18Å; R987-A991 PolarHBondContact O-N 3.43Å; C988-A991 PolarHBondContact O-N 3.4Å; G989-A991 VanDerWaalsContact C-N 3.32Å; G989-A991 PolarHBondContact O-N 2.86Å; A991-L994 CarbonylContact O-C 3.54Å; A991-L994 WeakPolarHBondContact O-CA 3.22Å; A991-L994 WeakPolarHBondContact O-CB 3.46Å; A991-L994 PolarHBondContact O-N 3.11Å; A991-L994 VanDerWaalsContact O-N 3.13Å; A991-M995 WeakPolarHBondContact O-CG 3.1Å; A991-M995 PolarHBondContact O-N 3.08Å
992	L	83.8	Confident	74.4	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-40.3	178	-171.1	67.8	0	0	0	111.7	E928 Y948 C988 G989 L994 M995 K996	E928-L992 HydrophobicContact CB-CD1 4.28Å; E928-L992 HydrophobicContact CB-CD2 4.42Å; Y948-L992 HydrophobicContact CD1-CB 4.45Å; Y948-L992 HydrophobicContact CD1-CD1 4.41Å; C988-L992 WeakPolarHBondContact O-CB 3.41Å; C988-L992 PolarHBondContact O-N 3.38Å; G989-L992 PolarHBondContact O-N 3.38Å; L992-L994 VanDerWaalsContact C-N 3.33Å; L992-M995 PolarHBondContact O-N 2.75Å; L992-K996 WeakPolarHBondContact O-CG 3.48Å; L992-K996 PolarHBondContact O-N 2.84Å
993	E	81.9	Confident	72.4	Confident	115 Å²	115	61.6 Å²	61.6	54%	0.537	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-32	171.5	-73.2	-59.3	148.8	0	0	112.2	G989 S997	G989-E993 WeakPolarHBondContact O-CB 3.43Å; G989-E993 WeakPolarHBondContact O-CG 3.46Å; G989-E993 PolarHBondContact O-N 3.23Å; E993-S997 WeakPolarHBondContact O-CA 3.3Å; E993-S997 WeakPolarHBondContact O-CB 3.41Å; E993-S997 PolarHBondContact O-N 3.08Å; E993-S997 PolarHBondContact O-OG 3.15Å
994	L	77.5	Confident	70.3	Confident	66 Å²	66	57.8 Å²	57.8	35%	0.346	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-37.6	169.6	-79.9	169.1	0	0	0	112	E990 A991 L992 S997 A998 R1001	E990-L994 WeakPolarHBondContact O-CB 3.5Å; E990-L994 VanDerWaalsContact O-CG 3.26Å; E990-L994 WeakPolarHBondContact O-CG 3.43Å; E990-L994 PolarHBondContact O-N 2.66Å; A991-L994 CarbonylContact O-C 3.54Å; A991-L994 WeakPolarHBondContact O-CA 3.22Å; A991-L994 WeakPolarHBondContact O-CB 3.46Å; A991-L994 PolarHBondContact O-N 3.11Å; A991-L994 VanDerWaalsContact O-N 3.13Å; L992-L994 VanDerWaalsContact C-N 3.33Å; L994-S997 WeakPolarHBondContact CA-OG 3.38Å; L994-S997 CarbonylContact O-C 3.57Å; L994-S997 PolarHBondContact O-OG 3.37Å; L994-A998 PolarHBondContact O-N 3.05Å; L994-R1001 PolarHBondContact O-NH2 3.38Å
995	M	77.8	Confident	68	Low	26 Å²	26	62.4 Å²	62.4	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-68.7	-49.1	174.6	-70.9	168.5	52.9	0	0	111.9	H746 Y948 A991 L992 S997 A998	H746-M995 HydrophobicContact CB-CE 3.9Å; H746-M995 HydrophobicContact CB-SD 4.09Å; H746-M995 VanDerWaalsContact CG-CE 3.43Å; Y948-M995 HydrophobicContact CD1-SD 4.44Å; Y948-M995 HydrophobicContact CG-SD 4.05Å; A991-M995 WeakPolarHBondContact O-CG 3.1Å; A991-M995 PolarHBondContact O-N 3.08Å; L992-M995 PolarHBondContact O-N 2.75Å; M995-S997 VanDerWaalsContact C-N 3.34Å; M995-S997 PolarHBondContact O-N 2.93Å; M995-A998 WeakPolarHBondContact O-CB 3.47Å; M995-A998 PolarHBondContact O-N 3.23Å
996	K	76.9	Confident	65.7	Low	81 Å²	81	61.7 Å²	61.7	35%	0.352	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-41.6	175.7	-71.8	-178.7	176.8	-177	0	112.1	E928 L992 A998	E928-K996 IonicContact OE1-NZ 3.09Å; E928-K996 PolarHBondContact OE1-NZ 2.9Å; E928-K996 WeakPolarHBondContact OE2-CE 2.76Å; E928-K996 IonicContact OE2-NZ 3.94Å; E928-K996 PolarHBondContact OE2-NZ 3.48Å; L992-K996 WeakPolarHBondContact O-CG 3.48Å; L992-K996 PolarHBondContact O-N 2.84Å; K996-A998 PolarHBondContact O-N 3.22Å
997	S	67.3	Low	63.5	Low	23 Å²	23	66 Å²	66	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-75	-3.1	172.5	72.4	0	0	0	0	113.9	E993 L994 M995 W999 Q1000 R1001	E993-S997 WeakPolarHBondContact O-CA 3.3Å; E993-S997 WeakPolarHBondContact O-CB 3.41Å; E993-S997 PolarHBondContact O-N 3.08Å; E993-S997 PolarHBondContact O-OG 3.15Å; L994-S997 WeakPolarHBondContact CA-OG 3.38Å; L994-S997 CarbonylContact O-C 3.57Å; L994-S997 PolarHBondContact O-OG 3.37Å; M995-S997 VanDerWaalsContact C-N 3.34Å; M995-S997 PolarHBondContact O-N 2.93Å; S997-W999 VanDerWaalsContact C-N 3.29Å; S997-W999 PolarHBondContact O-N 3.37Å; S997-Q1000 CarbonylContact O-C 3.58Å; S997-Q1000 PolarHBondContact O-N 3.3Å; S997-R1001 WeakPolarHBondContact O-CA 3.15Å; S997-R1001 WeakPolarHBondContact O-CB 3.37Å; S997-R1001 WeakPolarHBondContact O-CG 3.38Å; S997-R1001 PolarHBondContact O-N 3.01Å; S997-R1001 PolarHBondContact O-NE 3.13Å; S997-R1001 PolarHBondContact OG-NE 3.17Å
998	A	66.1	Low	61.2	Low	40 Å²	40	66 Å²	66	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-42.7	170.1	0	0	0	0	0	110.1	L994 M995 K996 R1001 A1002	L994-A998 PolarHBondContact O-N 3.05Å; M995-A998 WeakPolarHBondContact O-CB 3.47Å; M995-A998 PolarHBondContact O-N 3.23Å; K996-A998 PolarHBondContact O-N 3.22Å; A998-R1001 PolarHBondContact O-N 3.15Å; A998-A1002 PolarHBondContact O-N 2.99Å
999	W	63.5	Low	58.8	Low	65 Å²	65	77.6 Å²	77.6	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-59.5	-47.1	168.8	-57.7	92.8	0	0	0	111.8	R610 M611 P622 S997 R1001 A1002 D1003	R610-W999 HydrophobicContact CB-CE3 4.27Å; R610-W999 HydrophobicContact CB-CH2 3.89Å; R610-W999 HydrophobicContact CB-CZ3 3.67Å; R610-W999 HydrophobicContact CG-CE3 4.35Å; R610-W999 HydrophobicContact CG-CZ3 4.1Å; M611-W999 VanDerWaalsContact O-CH2 3.28Å; M611-W999 WeakPolarHBondContact O-CH2 3.49Å; P622-W999 HydrophobicContact CB-CE3 3.99Å; P622-W999 HydrophobicContact CB-CH2 4.23Å; P622-W999 HydrophobicContact CB-CZ3 3.78Å; S997-W999 VanDerWaalsContact C-N 3.29Å; S997-W999 PolarHBondContact O-N 3.37Å; W999-R1001 VanDerWaalsContact C-N 3.27Å; W999-R1001 PolarHBondContact O-N 3.18Å; W999-A1002 WeakPolarHBondContact O-CB 3.43Å; W999-A1002 PolarHBondContact O-N 3.37Å; W999-D1003 PolarHBondContact O-N 2.84Å
1000	Q	52.8	Low	56.2	Low	129 Å²	129	81.2 Å²	81.2	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-70.6	-19.9	178.8	-58.1	-175.6	3.1	0	0	113.8	S997 D1003 S1004	S997-Q1000 CarbonylContact O-C 3.58Å; S997-Q1000 PolarHBondContact O-N 3.3Å; Q1000-D1003 CarbonylContact O-C 3.55Å; Q1000-D1003 WeakPolarHBondContact O-CB 3.19Å; Q1000-D1003 PolarHBondContact O-N 3.18Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.35Å; Q1000-S1004 PolarHBondContact O-N 2.93Å; Q1000-S1004 PolarHBondContact O-OG 3.31Å
1001	R	49.1	Very low	53.7	Low	75 Å²	75	85.3 Å²	85.3	28%	0.283	45%	0.446	S	S	.	.	H	α-helix	trans	-88.8	-32	176.8	-74.7	178.9	-64.4	113.9	-2.8	111.4	L994 S997 A998 W999 D1003 S1004 L1005	L994-R1001 PolarHBondContact O-NH2 3.38Å; S997-R1001 WeakPolarHBondContact O-CA 3.15Å; S997-R1001 WeakPolarHBondContact O-CB 3.37Å; S997-R1001 WeakPolarHBondContact O-CG 3.38Å; S997-R1001 PolarHBondContact O-N 3.01Å; S997-R1001 PolarHBondContact O-NE 3.13Å; S997-R1001 PolarHBondContact OG-NE 3.17Å; A998-R1001 PolarHBondContact O-N 3.15Å; W999-R1001 VanDerWaalsContact C-N 3.27Å; W999-R1001 PolarHBondContact O-N 3.18Å; R1001-D1003 PolarHBondContact O-N 3.47Å; R1001-S1004 PolarHBondContact O-N 2.96Å; R1001-L1005 HydrophobicContact CB-CD1 4.04Å; R1001-L1005 HydrophobicContact CB-CG 4.26Å; R1001-L1005 WeakPolarHBondContact O-CB 3.38Å; R1001-L1005 WeakPolarHBondContact O-CD1 3.32Å; R1001-L1005 WeakPolarHBondContact O-CG 3.47Å; R1001-L1005 PolarHBondContact O-N 3.21Å
1002	A	42.9	Very low	51.1	Low	29 Å²	29	96.4 Å²	96.4	24%	0.24	49%	0.487	C	S	.	.	H	α-helix	trans	-54.3	-45.1	154.5	0	0	0	0	0	109.2	K637 A998 W999 S1004	K637-A1002 WeakPolarHBondContact CD-O 3.43Å; A998-A1002 PolarHBondContact O-N 2.99Å; W999-A1002 WeakPolarHBondContact O-CB 3.43Å; W999-A1002 PolarHBondContact O-N 3.37Å; A1002-S1004 VanDerWaalsContact C-N 3.34Å; A1002-S1004 PolarHBondContact O-N 3.49Å
1003	D	39	Very low	48.4	Very low	61 Å²	61	103.6 Å²	103.6	33%	0.326	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-24.7	178.9	-83.4	-41.2	0	0	0	116.2	Y624 K637 W999 Q1000 R1001	Y624-D1003 PolarHBondContact OH-OD2 3.38Å; K637-D1003 PolarHBondContact NZ-O 3.24Å; K637-D1003 IonicContact NZ-OD1 3.04Å; K637-D1003 PolarHBondContact NZ-OD1 3.27Å; W999-D1003 PolarHBondContact O-N 2.84Å; Q1000-D1003 CarbonylContact O-C 3.55Å; Q1000-D1003 WeakPolarHBondContact O-CB 3.19Å; Q1000-D1003 PolarHBondContact O-N 3.18Å; R1001-D1003 PolarHBondContact O-N 3.47Å
1004	S	35.3	Very low	46	Very low	58 Å²	58	104.3 Å²	104.3	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-118.1	-19.7	-171.1	55.9	0	0	0	0	117	Q1000 R1001 A1002 A1006 R1007	Q1000-S1004 WeakPolarHBondContact O-CB 3.35Å; Q1000-S1004 PolarHBondContact O-N 2.93Å; Q1000-S1004 PolarHBondContact O-OG 3.31Å; R1001-S1004 PolarHBondContact O-N 2.96Å; A1002-S1004 VanDerWaalsContact C-N 3.34Å; A1002-S1004 PolarHBondContact O-N 3.49Å; S1004-A1006 PolarHBondContact O-N 3.37Å; S1004-A1006 VanDerWaalsContact O-N 3.17Å; S1004-R1007 PolarHBondContact O-N 2.77Å
1005	L	32.1	Very low	43.8	Very low	133 Å²	133	111.3 Å²	111.3	70%	0.696	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-15.1	-179.2	-74.9	169.1	0	0	0	113.8	R1001 R1007	R1001-L1005 HydrophobicContact CB-CD1 4.04Å; R1001-L1005 HydrophobicContact CB-CG 4.26Å; R1001-L1005 WeakPolarHBondContact O-CB 3.38Å; R1001-L1005 WeakPolarHBondContact O-CD1 3.32Å; R1001-L1005 WeakPolarHBondContact O-CG 3.47Å; R1001-L1005 PolarHBondContact O-N 3.21Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.95Å
1006	A	36.1	Very low	41.4	Very low	45 Å²	45	120.1 Å²	120.1	37%	0.372	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-5	171.2	0	0	0	0	0	114.5	S1004 G1008	S1004-A1006 PolarHBondContact O-N 3.37Å; S1004-A1006 VanDerWaalsContact O-N 3.17Å; A1006-G1008 PolarHBondContact O-N 3.12Å
1007	R	36.3	Very low	39.6	Very low	219 Å²	219	122.1 Å²	122.1	83%	0.826	63%	0.631	S	S	*	*	S	Bend	trans	-79.5	60	178.2	-65.5	-164.3	-173.2	-168.2	4.7	113.8	S1004 L1005 R1009	S1004-R1007 PolarHBondContact O-N 2.77Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.95Å; R1007-R1009 PolarHBondContact O-N 3.2Å
1008	G	35	Very low	38.2	Very low	74 Å²	74	127.3 Å²	127.3	76%	0.763	66%	0.656	S	S	*	*	S	Bend	trans	65.3	36.8	147.7	0	0	0	0	0	118.4	A1006	A1006-G1008 PolarHBondContact O-N 3.12Å
1009	R	33.1	Very low	36.6	Very low	243 Å²	243	132.1 Å²	132.1	92%	0.917	67%	0.674	S	S	*	*			trans	-133.5	21.1	175.6	-68	-162.8	-176.6	-154.7	4.5	116.5	R1007	R1007-R1009 PolarHBondContact O-N 3.2Å
1010	A	29.2	Very low	35.1	Very low	100 Å²	100	136.1 Å²	136.1	83%	0.826	70%	0.699	S	S	*	*	S	Bend	trans	-99.4	-21.5	173.4	0	0	0	0	0	114.2
1011	Q	30.7	Very low	33.9	Very low	192 Å²	192	136.5 Å²	136.5	90%	0.897	71%	0.705	S	S	*	*			trans	-110	83.4	176	-76.5	-177.4	-15.2	0	0	111.6
1012	R	27.9	Very low	32.9	Very low	242 Å²	242	140.6 Å²	140.6	91%	0.913	73%	0.733	S	S	*	*			trans	-139	125.2	147.7	-80.8	-164.9	173.3	-168.1	-3.2	108
1013	E	26.3	Very low	32.2	Very low	160 Å²	160	148.6 Å²	148.6	75%	0.748	77%	0.768	S	S	*	*			trans	-66	145.1	177.9	-57.4	-172.6	146.5	0	0	111.3	W1015	E1013-W1015 VanDerWaalsContact C-N 3.29Å; E1013-W1015 PolarHBondContact O-N 2.93Å
1014	P	30.6	Very low	31.7	Very low	129 Å²	129	155.3 Å²	155.3	84%	0.838	80%	0.802	S	S	*	*			trans	-81.5	71.5	176.3	34.5	-35.4	0	0	0	111.5
1015	W	31	Very low	31.4	Very low	214 Å²	214	163.4 Å²	163.4	81%	0.811	84%	0.836	S	S	*	*			trans	-125.3	78.8	173.9	-74.5	113.1	0	0	0	112.6	E1013	E1013-W1015 VanDerWaalsContact C-N 3.29Å; E1013-W1015 PolarHBondContact O-N 2.93Å
1016	C	28.6	Very low	31.3	Very low	210 Å²	210	166.2 Å²	166.2	100%	1.419	85%	0.848	S	S	*	*			trans	-159.3	0	157.8	-91	0	0	0	0	108.9

Retrieved 1,016 of 1,016 residues in 210.2 ms (Link to these results)

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