A0A5K4F8I5_SCHMA Loading...

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 AlphaSync

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1).

AlphaFold DB , UniProt , Accession A0A5K4F8I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.8	Very high	97.4	Very high	104 Å²	104	41.8 Å²	41.8	51%	0.512	22%	0.215	S	C	.	.				0	-48.3	0	-65.3	-45.6	-67.2	0	0	114.4	M3 A4 N5 L423 W426 I428	M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.14Å; M1-A4 WeakPolarHBondContact O-CB 3.18Å; M1-A4 PolarHBondContact O-N 3.13Å; M1-N5 PolarHBondContact O-N 3.49Å; M1-L423 HydrophobicContact CE-CD2 3.41Å; M1-L423 VanDerWaalsContact CE-CD2 3.41Å; M1-W426 HydrophobicContact CE-CE3 3.62Å; M1-W426 HydrophobicContact CE-CZ3 3.69Å; M1-I428 HydrophobicContact CE-CG1 4.2Å; M1-I428 HydrophobicContact CE-CG2 4.48Å
2	K	97.5	Very high	97.3	Very high	51 Å²	51	39.4 Å²	39.4	22%	0.222	21%	0.209	C	C	.	.	H	α-helix	trans	-55	-46.7	178	-58	-177.7	-171.4	173.2	0	112.8	A4 N5 I6 F36 T236 E243 Y245	K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 3.42Å; K2-N5 WeakPolarHBondContact O-CB 3.46Å; K2-N5 PolarHBondContact O-N 2.77Å; K2-N5 VanDerWaalsContact O-N 3.11Å; K2-I6 WeakPolarHBondContact O-CG1 3.42Å; K2-I6 PolarHBondContact O-N 3.35Å; K2-F36 HydrophobicContact CB-CE1 3.98Å; K2-F36 HydrophobicContact CB-CZ 4.41Å; K2-T236 WeakPolarHBondContact CA-OG1 3.32Å; K2-E243 WeakPolarHBondContact CE-OE2 3.42Å; K2-E243 IonicContact NZ-OE1 3.81Å; K2-E243 PolarHBondContact NZ-OE1 3.17Å; K2-E243 IonicContact NZ-OE2 3.9Å; K2-E243 PolarHBondContact NZ-OE2 2.97Å; K2-Y245 HydrophobicContact CD-CE2 4.32Å; K2-Y245 WeakPolarHBondContact CD-OH 3.27Å; K2-Y245 PolarHBondContact NZ-OH 3.42Å
3	M	97.9	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-38.5	175.4	-162.5	62.7	-134	0	0	113.1	M1 N5 I6 D7 F14 F36 Y39 M164 L204	M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.14Å; M3-N5 VanDerWaalsContact C-N 3.34Å; M3-N5 PolarHBondContact O-N 3.16Å; M3-I6 HydrophobicContact CE-CG2 4.35Å; M3-I6 PolarHBondContact O-N 3.48Å; M3-D7 HydrophobicContact CE-CB 4.17Å; M3-D7 WeakPolarHBondContact O-CB 3.44Å; M3-D7 PolarHBondContact O-N 3.47Å; M3-F14 HydrophobicContact CE-CB 3.83Å; M3-F14 HydrophobicContact CE-CD1 4.02Å; M3-F14 HydrophobicContact CE-CD2 3.33Å; M3-F14 HydrophobicContact CE-CE1 4.41Å; M3-F14 HydrophobicContact CE-CE2 3.8Å; M3-F14 HydrophobicContact CE-CG 3.44Å; M3-F14 VanDerWaalsContact CE-CG 3.44Å; M3-F14 HydrophobicContact CE-CZ 4.29Å; M3-F36 HydrophobicContact CB-CB 4.47Å; M3-F36 HydrophobicContact CB-CD1 3.73Å; M3-F36 HydrophobicContact CB-CE1 4.12Å; M3-F36 HydrophobicContact CB-CG 4.07Å; M3-F36 HydrophobicContact CG-CG 4.39Å; M3-F36 HydrophobicContact SD-CD2 4.25Å; M3-F36 HydrophobicContact SD-CE2 4.46Å; M3-F36 HydrophobicContact SD-CG 4.38Å; M3-Y39 HydrophobicContact CB-CD1 3.62Å; M3-Y39 HydrophobicContact CB-CE1 4.31Å; M3-Y39 HydrophobicContact CB-CG 4.07Å; M3-Y39 HydrophobicContact CG-CD1 3.33Å; M3-Y39 HydrophobicContact CG-CE1 3.84Å; M3-Y39 HydrophobicContact CG-CG 4.25Å; M3-M164 HydrophobicContact CE-SD 4.24Å; M3-M164 HydrophobicContact CG-SD 4.1Å; M3-M164 HydrophobicContact SD-CG 4.38Å; M3-M164 HydrophobicContact SD-SD 3.61Å; M3-M164 VanDerWaalsContact SD-SD 3.61Å; M3-L204 HydrophobicContact CE-CD2 3.85Å; M3-L204 HydrophobicContact SD-CD2 3.35Å; M3-L204 WeakPolarHBondContact SD-CD2 3.33Å
4	A	96.8	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.2	0	0	0	0	0	112.7	M1 K2 S8 Y39 I428	M1-A4 WeakPolarHBondContact O-CB 3.18Å; M1-A4 PolarHBondContact O-N 3.13Å; K2-A4 VanDerWaalsContact C-N 3.31Å; K2-A4 PolarHBondContact O-N 3.42Å; A4-S8 VanDerWaalsContact O-CB 3.31Å; A4-S8 WeakPolarHBondContact O-CB 3.41Å; A4-S8 PolarHBondContact O-N 2.96Å; A4-Y39 VanDerWaalsContact CA-CE2 3.44Å; A4-Y39 HydrophobicContact CB-CD2 3.63Å; A4-Y39 HydrophobicContact CB-CE2 3.37Å; A4-Y39 HydrophobicContact CB-CG 4.42Å; A4-I428 HydrophobicContact CB-CD1 3.91Å; A4-I428 HydrophobicContact CB-CG1 4.21Å
5	N	98.3	Very high	97.3	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-47.1	176.6	-178.9	-175.2	0	0	0	111.2	M1 K2 M3 S8 I9 P234 V235 T236 W426	M1-N5 PolarHBondContact O-N 3.49Å; K2-N5 WeakPolarHBondContact O-CB 3.46Å; K2-N5 PolarHBondContact O-N 2.77Å; K2-N5 VanDerWaalsContact O-N 3.11Å; M3-N5 VanDerWaalsContact C-N 3.34Å; M3-N5 PolarHBondContact O-N 3.16Å; N5-S8 PolarHBondContact O-N 3.47Å; N5-I9 WeakPolarHBondContact O-CG1 3.41Å; N5-I9 PolarHBondContact O-N 2.96Å; N5-P234 HydrophobicContact CB-CB 4.47Å; N5-P234 VanDerWaalsContact OD1-CB 3.3Å; N5-P234 WeakPolarHBondContact OD1-CB 3.39Å; N5-V235 VanDerWaalsContact OD1-CG2 3.27Å; N5-V235 WeakPolarHBondContact OD1-CG2 3.35Å; N5-V235 PolarHBondContact OD1-N 2.98Å; N5-V235 VanDerWaalsContact OD1-N 3.17Å; N5-T236 HydrophobicContact CB-CG2 3.86Å; N5-T236 PolarHBondContact OD1-N 3.41Å; N5-T236 PolarHBondContact OD1-OG1 3.2Å; N5-T236 VanDerWaalsContact OD1-OG1 3.06Å; N5-W426 HydrophobicContact CB-CD2 4.14Å; N5-W426 HydrophobicContact CB-CE3 4.44Å; N5-W426 HydrophobicContact CB-CH2 3.99Å; N5-W426 HydrophobicContact CB-CZ2 3.62Å; N5-W426 HydrophobicContact CB-CZ3 4.37Å; N5-W426 PolarHBondContact ND2-NE1 3.45Å
6	I	98.6	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-48.7	-179.7	-66.5	168	0	0	0	110.4	K2 M3 S8 I9 F10 F14 L204 I232 P234 Y245	K2-I6 WeakPolarHBondContact O-CG1 3.42Å; K2-I6 PolarHBondContact O-N 3.35Å; M3-I6 HydrophobicContact CE-CG2 4.35Å; M3-I6 PolarHBondContact O-N 3.48Å; I6-S8 PolarHBondContact O-N 2.92Å; I6-I9 WeakPolarHBondContact O-CB 3.28Å; I6-I9 PolarHBondContact O-N 3.23Å; I6-F10 HydrophobicContact CG2-CD2 4.09Å; I6-F10 HydrophobicContact CG2-CE2 4.21Å; I6-F10 WeakPolarHBondContact O-CD2 3.27Å; I6-F10 PolarHBondContact O-N 3.46Å; I6-F10 VanDerWaalsContact O-N 3.14Å; I6-F14 HydrophobicContact CG2-CE2 3.74Å; I6-F14 HydrophobicContact CG2-CZ 4.25Å; I6-L204 HydrophobicContact CD1-CD1 4.2Å; I6-L204 HydrophobicContact CD1-CD2 3.98Å; I6-L204 HydrophobicContact CG2-CD1 4.07Å; I6-L204 HydrophobicContact CG2-CD2 4.18Å; I6-I232 HydrophobicContact CG1-CD1 4.03Å; I6-I232 HydrophobicContact CG2-CD1 4.15Å; I6-P234 HydrophobicContact CD1-CG 4.11Å; I6-P234 HydrophobicContact CG1-CB 3.97Å; I6-P234 HydrophobicContact CG1-CG 3.96Å; I6-Y245 HydrophobicContact CD1-CD1 4.09Å; I6-Y245 HydrophobicContact CD1-CD2 3.94Å; I6-Y245 HydrophobicContact CD1-CE1 4.33Å; I6-Y245 HydrophobicContact CD1-CE2 4.18Å; I6-Y245 HydrophobicContact CD1-CG 3.9Å
7	D	98.3	Very high	97.2	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-36.6	178.1	-167.1	41.7	0	0	0	111.5	M3 F10 N11 G12 F14 T15 Y39	M3-D7 HydrophobicContact CE-CB 4.17Å; M3-D7 WeakPolarHBondContact O-CB 3.44Å; M3-D7 PolarHBondContact O-N 3.47Å; D7-F10 CarbonylContact O-C 3.54Å; D7-F10 PolarHBondContact O-N 2.89Å; D7-N11 PolarHBondContact O-N 2.95Å; D7-G12 PolarHBondContact O-N 3.36Å; D7-G12 VanDerWaalsContact OD1-CA 3.29Å; D7-G12 WeakPolarHBondContact OD1-CA 3.25Å; D7-F14 HydrophobicContact CB-CD2 4.26Å; D7-F14 WeakPolarHBondContact OD1-CB 3.1Å; D7-F14 PolarHBondContact OD1-N 3.22Å; D7-F14 VanDerWaalsContact OD1-N 3.08Å; D7-T15 PolarHBondContact OD1-N 2.9Å; D7-T15 WeakPolarHBondContact OD2-CB 3.37Å; D7-T15 WeakPolarHBondContact OD2-CG2 3.44Å; D7-T15 PolarHBondContact OD2-OG1 3.39Å; D7-Y39 HydrophobicContact CB-CE1 3.84Å; D7-Y39 PolarHBondContact OD2-OH 3.38Å
8	S	97.4	Very high	97.2	Very high	32 Å²	32	34.4 Å²	34.4	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-31.8	172.1	-178.5	0	0	0	0	114.1	A4 N5 I6 F10 N11 W426	A4-S8 VanDerWaalsContact O-CB 3.31Å; A4-S8 WeakPolarHBondContact O-CB 3.41Å; A4-S8 PolarHBondContact O-N 2.96Å; N5-S8 PolarHBondContact O-N 3.47Å; I6-S8 PolarHBondContact O-N 2.92Å; S8-F10 VanDerWaalsContact C-N 3.28Å; S8-N11 PolarHBondContact O-N 3.41Å; S8-W426 VanDerWaalsContact CB-CD1 3.45Å
9	I	97.7	Very high	97	Very high	80 Å²	80	37.4 Å²	37.4	41%	0.41	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-38.4	175	-71.7	163.5	0	0	0	109.9	N5 I6 I232 P234	N5-I9 WeakPolarHBondContact O-CG1 3.41Å; N5-I9 PolarHBondContact O-N 2.96Å; I6-I9 WeakPolarHBondContact O-CB 3.28Å; I6-I9 PolarHBondContact O-N 3.23Å; I9-I232 HydrophobicContact CD1-CD1 4.13Å; I9-P234 HydrophobicContact CD1-CB 4.48Å
10	F	97.8	Very high	96.4	Very high	31 Å²	31	40.5 Å²	40.5	14%	0.136	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	28.2	179.4	-63.6	-80.9	0	0	0	113.1	I6 D7 S8 G12 M13 F14 Y230 I232 V247	I6-F10 HydrophobicContact CG2-CD2 4.09Å; I6-F10 HydrophobicContact CG2-CE2 4.21Å; I6-F10 WeakPolarHBondContact O-CD2 3.27Å; I6-F10 PolarHBondContact O-N 3.46Å; I6-F10 VanDerWaalsContact O-N 3.14Å; D7-F10 CarbonylContact O-C 3.54Å; D7-F10 PolarHBondContact O-N 2.89Å; S8-F10 VanDerWaalsContact C-N 3.28Å; F10-G12 PolarHBondContact O-N 2.97Å; F10-G12 VanDerWaalsContact O-N 3.09Å; F10-M13 HydrophobicContact CB-CB 3.8Å; F10-M13 HydrophobicContact CB-CE 4.1Å; F10-M13 HydrophobicContact CB-SD 4.4Å; F10-M13 HydrophobicContact CD1-CE 4.32Å; F10-M13 HydrophobicContact CG-CE 4.09Å; F10-M13 VanDerWaalsContact O-CB 3.23Å; F10-M13 WeakPolarHBondContact O-CB 3.48Å; F10-M13 PolarHBondContact O-N 3.35Å; F10-F14 HydrophobicContact CB-CE2 4.45Å; F10-F14 HydrophobicContact CD2-CE2 4.09Å; F10-Y230 HydrophobicContact CE1-CD1 4.44Å; F10-Y230 AromaticContact CE1-CD2 3.55Å; F10-Y230 HydrophobicContact CE1-CD2 3.55Å; F10-Y230 AromaticContact CE1-CE2 3.78Å; F10-Y230 HydrophobicContact CE1-CE2 3.78Å; F10-Y230 AromaticContact CE1-CG 3.91Å; F10-Y230 HydrophobicContact CE1-CG 3.91Å; F10-Y230 AromaticContact CZ-CD2 3.98Å; F10-Y230 HydrophobicContact CZ-CD2 3.98Å; F10-Y230 HydrophobicContact CZ-CG 4.05Å; F10-I232 HydrophobicContact CE2-CD1 3.72Å; F10-I232 HydrophobicContact CZ-CD1 4.38Å; F10-I232 HydrophobicContact CZ-CG2 4.31Å; F10-V247 HydrophobicContact CD2-CG1 4.32Å; F10-V247 HydrophobicContact CE1-CG1 4.06Å; F10-V247 HydrophobicContact CE2-CB 4.13Å; F10-V247 HydrophobicContact CE2-CG1 3.84Å; F10-V247 HydrophobicContact CE2-CG2 3.58Å; F10-V247 HydrophobicContact CZ-CB 3.91Å; F10-V247 HydrophobicContact CZ-CG1 3.7Å; F10-V247 HydrophobicContact CZ-CG2 3.78Å
11	N	96.4	Very high	95.9	Very high	153 Å²	153	44.6 Å²	44.6	82%	0.818	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.6	172.5	-59.8	-18.2	0	0	0	115.2	D7 S8	D7-N11 PolarHBondContact O-N 2.95Å; S8-N11 PolarHBondContact O-N 3.41Å
12	G	96	Very high	95.8	Very high	13 Å²	13	43.2 Å²	43.2	13%	0.134	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	6.9	179.7	0	0	0	0	0	114.9	D7 F10 F14 T15 T16	D7-G12 PolarHBondContact O-N 3.36Å; D7-G12 VanDerWaalsContact OD1-CA 3.29Å; D7-G12 WeakPolarHBondContact OD1-CA 3.25Å; F10-G12 PolarHBondContact O-N 2.97Å; F10-G12 VanDerWaalsContact O-N 3.09Å; G12-F14 PolarHBondContact O-N 2.99Å; G12-T15 PolarHBondContact O-N 3.44Å; G12-T16 PolarHBondContact O-N 2.99Å; G12-T16 PolarHBondContact O-OG1 3.26Å
13	M	97.5	Very high	95.7	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.103	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	-40.9	-176.5	178.7	-179.4	75.2	0	0	113.6	F10 A17 H202 V247 K249	F10-M13 HydrophobicContact CB-CB 3.8Å; F10-M13 HydrophobicContact CB-CE 4.1Å; F10-M13 HydrophobicContact CB-SD 4.4Å; F10-M13 HydrophobicContact CD1-CE 4.32Å; F10-M13 HydrophobicContact CG-CE 4.09Å; F10-M13 VanDerWaalsContact O-CB 3.23Å; F10-M13 WeakPolarHBondContact O-CB 3.48Å; F10-M13 PolarHBondContact O-N 3.35Å; M13-A17 WeakPolarHBondContact O-CB 3.37Å; M13-A17 PolarHBondContact O-N 3.18Å; M13-H202 HydrophobicContact CE-CB 4.36Å; M13-V247 HydrophobicContact CE-CG1 3.79Å; M13-K249 HydrophobicContact SD-CB 3.95Å; M13-K249 HydrophobicContact SD-CD 3.69Å; M13-K249 HydrophobicContact SD-CG 3.63Å
14	F	98.3	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-47.3	-177.6	-58.1	-85.2	0	0	0	111.9	M3 I6 D7 F10 G12 T16 A17 I162 H202 L204 V247	M3-F14 HydrophobicContact CE-CB 3.83Å; M3-F14 HydrophobicContact CE-CD1 4.02Å; M3-F14 HydrophobicContact CE-CD2 3.33Å; M3-F14 HydrophobicContact CE-CE1 4.41Å; M3-F14 HydrophobicContact CE-CE2 3.8Å; M3-F14 HydrophobicContact CE-CG 3.44Å; M3-F14 VanDerWaalsContact CE-CG 3.44Å; M3-F14 HydrophobicContact CE-CZ 4.29Å; I6-F14 HydrophobicContact CG2-CE2 3.74Å; I6-F14 HydrophobicContact CG2-CZ 4.25Å; D7-F14 HydrophobicContact CB-CD2 4.26Å; D7-F14 WeakPolarHBondContact OD1-CB 3.1Å; D7-F14 PolarHBondContact OD1-N 3.22Å; D7-F14 VanDerWaalsContact OD1-N 3.08Å; F10-F14 HydrophobicContact CB-CE2 4.45Å; F10-F14 HydrophobicContact CD2-CE2 4.09Å; G12-F14 PolarHBondContact O-N 2.99Å; F14-T16 VanDerWaalsContact C-N 3.31Å; F14-T16 PolarHBondContact O-N 3.19Å; F14-A17 WeakPolarHBondContact O-CB 3.44Å; F14-A17 PolarHBondContact O-N 3.49Å; F14-I162 HydrophobicContact CB-CD1 4.13Å; F14-I162 HydrophobicContact CB-CG2 4.23Å; F14-I162 HydrophobicContact CD1-CB 4.39Å; F14-I162 HydrophobicContact CD1-CG2 4.18Å; F14-I162 WeakPolarHBondContact O-CG2 3.15Å; F14-H202 HydrophobicContact CD1-CB 4.26Å; F14-H202 HydrophobicContact CE1-CB 4.17Å; F14-L204 HydrophobicContact CE1-CB 3.86Å; F14-L204 HydrophobicContact CZ-CB 4.09Å; F14-L204 HydrophobicContact CZ-CD1 4.43Å; F14-V247 HydrophobicContact CZ-CG1 3.96Å
15	T	96.3	Very high	95.8	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.3	-175.1	58.1	0	0	0	0	113.5	D7 G12 Y39 R43 R44	D7-T15 PolarHBondContact OD1-N 2.9Å; D7-T15 WeakPolarHBondContact OD2-CB 3.37Å; D7-T15 WeakPolarHBondContact OD2-CG2 3.44Å; D7-T15 PolarHBondContact OD2-OG1 3.39Å; G12-T15 PolarHBondContact O-N 3.44Å; T15-Y39 HydrophobicContact CG2-CE1 3.79Å; T15-R43 HydrophobicContact CG2-CB 3.88Å; T15-R43 HydrophobicContact CG2-CG 3.69Å; T15-R43 WeakPolarHBondContact OG1-CG 3.43Å; T15-R44 WeakPolarHBondContact O-CD 3.09Å; T15-R44 PolarHBondContact O-NH1 2.94Å; T15-R44 VanDerWaalsContact O-NH1 3.13Å
16	T	96.1	Very high	95.8	Very high	86 Å²	86	43.2 Å²	43.2	53%	0.528	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	12.4	172.5	68.5	0	0	0	0	113.6	G12 F14 A18	G12-T16 PolarHBondContact O-N 2.99Å; G12-T16 PolarHBondContact O-OG1 3.26Å; F14-T16 VanDerWaalsContact C-N 3.31Å; F14-T16 PolarHBondContact O-N 3.19Å; T16-A18 PolarHBondContact O-N 2.93Å; T16-A18 VanDerWaalsContact O-N 3.16Å
17	A	97.5	Very high	95.8	Very high	28 Å²	28	43.2 Å²	43.2	23%	0.231	24%	0.24	C	C	.	.	S	Bend	trans	-62.9	-20	-179	0	0	0	0	0	114	M13 F14 L24 H161 I162	M13-A17 WeakPolarHBondContact O-CB 3.37Å; M13-A17 PolarHBondContact O-N 3.18Å; F14-A17 WeakPolarHBondContact O-CB 3.44Å; F14-A17 PolarHBondContact O-N 3.49Å; A17-L24 HydrophobicContact CB-CD1 3.93Å; A17-H161 HydrophobicContact CB-CB 3.85Å; A17-H161 PolarHBondContact O-CD2 3.25Å; A17-I162 HydrophobicContact CB-CG2 3.69Å
18	A	96.7	Very high	95.8	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.025	24%	0.239	C	C	.	.	S	Bend	trans	-109.8	144.3	171.5	0	0	0	0	0	110.5	T16 L24 R44 H161	T16-A18 PolarHBondContact O-N 2.93Å; T16-A18 VanDerWaalsContact O-N 3.16Å; A18-L24 HydrophobicContact CB-CB 4.06Å; A18-L24 HydrophobicContact CB-CD1 3.87Å; A18-R44 PolarHBondContact O-NH1 3.28Å; A18-R44 PolarHBondContact O-NH2 3Å; A18-H161 WeakPolarHBondContact CB-NE2 3.48Å
19	P	93.2	Very high	95.9	Very high	90 Å²	90	41.6 Å²	41.6	58%	0.584	23%	0.228	S	C	*	.			trans	-48.9	144.2	169.8	-24.8	33.6	0	0	0	111	D21 D22 R44	P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.15Å; P19-D22 HydrophobicContact CB-CB 4.21Å; P19-D22 HydrophobicContact CG-CB 4.45Å; P19-D22 PolarHBondContact O-N 3.03Å; P19-R44 PolarHBondContact O-NH2 3.19Å
20	K	85.5	Confident	95.9	Very high	99 Å²	99	39 Å²	39	43%	0.43	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.4	-171.1	-69.4	-175.1	-177.4	178.3	0	113.9	D22 H50	K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 PolarHBondContact O-N 3.46Å; K20-H50 PolarHBondContact NZ-O 3.23Å; K20-H50 VanDerWaalsContact NZ-O 3.14Å
21	D	85.4	Confident	95.7	Very high	128 Å²	128	37.9 Å²	37.9	68%	0.684	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-0.1	-179.5	-56.9	-43.9	0	0	0	113.4	P19 Y49	P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.15Å; D21-Y49 PolarHBondContact OD1-OH 3.19Å
22	D	92	Very high	95.6	Very high	75 Å²	75	32 Å²	32	40%	0.401	19%	0.189	S	C	.	.	S	Bend	trans	-111	162	179.8	-159.6	8	0	0	0	111.9	P19 K20 L24 R44	P19-D22 HydrophobicContact CB-CB 4.21Å; P19-D22 HydrophobicContact CG-CB 4.45Å; P19-D22 PolarHBondContact O-N 3.03Å; K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 PolarHBondContact O-N 3.46Å; D22-L24 PolarHBondContact O-N 3.06Å; D22-R44 PolarHBondContact O-NH2 3.13Å
23	I	95.5	Very high	95.6	Very high	22 Å²	22	34 Å²	34	11%	0.113	20%	0.2	C	C	.	.			trans	-77.3	119.8	-179.4	-58.6	172.3	0	0	0	109.4	Y25 K101 H161 N501 I502	I23-Y25 HydrophobicContact CB-CD2 4.32Å; I23-Y25 HydrophobicContact CB-CE2 3.8Å; I23-Y25 HydrophobicContact CG2-CD1 4.23Å; I23-Y25 HydrophobicContact CG2-CD2 4.17Å; I23-Y25 HydrophobicContact CG2-CE1 4.02Å; I23-Y25 HydrophobicContact CG2-CE2 3.92Å; I23-Y25 HydrophobicContact CG2-CG 4.33Å; I23-Y25 VanDerWaalsContact O-CD2 3.28Å; I23-Y25 WeakPolarHBondContact O-CD2 3.18Å; I23-Y25 PolarHBondContact O-N 3.44Å; I23-K101 HydrophobicContact CG2-CB 3.84Å; I23-H161 PolarHBondContact O-CE1 3.17Å; I23-N501 HydrophobicContact CD1-CB 4.14Å; I23-I502 HydrophobicContact CD1-CD1 4.43Å; I23-I502 HydrophobicContact CD1-CG1 3.76Å; I23-I502 HydrophobicContact CG1-CD1 4.21Å; I23-I502 HydrophobicContact CG1-CG1 4Å; I23-I502 HydrophobicContact CG2-CG1 4.15Å
24	L	97.9	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	95.5	167.1	-179.6	69.1	0	0	0	110	A17 A18 D22 T40 R44 S99 A100 K101 H161	A17-L24 HydrophobicContact CB-CD1 3.93Å; A18-L24 HydrophobicContact CB-CB 4.06Å; A18-L24 HydrophobicContact CB-CD1 3.87Å; D22-L24 PolarHBondContact O-N 3.06Å; L24-T40 HydrophobicContact CD2-CG2 4.04Å; L24-R44 HydrophobicContact CB-CG 3.99Å; L24-R44 HydrophobicContact CD2-CB 4.18Å; L24-R44 HydrophobicContact CD2-CG 3.96Å; L24-S99 PolarHBondContact N-O 3.06Å; L24-A100 HydrophobicContact CB-CB 4.34Å; L24-A100 CarbonylContact O-C 3.57Å; L24-A100 VanDerWaalsContact O-CA 3.28Å; L24-A100 WeakPolarHBondContact O-CA 3.39Å; L24-K101 PolarHBondContact O-N 3.18Å; L24-H161 HydrophobicContact CD1-CB 3.83Å
25	Y	98.7	Very high	95.3	Very high	35 Å²	35	34.8 Å²	34.8	14%	0.137	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127	167.2	-62.1	-82.8	0	0	0	111.3	I23 K101 F103 T155 H161	I23-Y25 HydrophobicContact CB-CD2 4.32Å; I23-Y25 HydrophobicContact CB-CE2 3.8Å; I23-Y25 HydrophobicContact CG2-CD1 4.23Å; I23-Y25 HydrophobicContact CG2-CD2 4.17Å; I23-Y25 HydrophobicContact CG2-CE1 4.02Å; I23-Y25 HydrophobicContact CG2-CE2 3.92Å; I23-Y25 HydrophobicContact CG2-CG 4.33Å; I23-Y25 VanDerWaalsContact O-CD2 3.28Å; I23-Y25 WeakPolarHBondContact O-CD2 3.18Å; I23-Y25 PolarHBondContact O-N 3.44Å; Y25-K101 WeakPolarHBondContact CA-O 3.47Å; Y25-K101 HydrophobicContact CD1-CB 3.95Å; Y25-K101 HydrophobicContact CD1-CD 3.85Å; Y25-K101 HydrophobicContact CD1-CG 4.4Å; Y25-K101 HydrophobicContact CE1-CB 4.17Å; Y25-K101 HydrophobicContact CE1-CD 3.55Å; Y25-K101 HydrophobicContact CE1-CG 4.47Å; Y25-F103 HydrophobicContact CD1-CE2 4.13Å; Y25-F103 HydrophobicContact CD1-CZ 4.4Å; Y25-T155 HydrophobicContact CD1-CG2 3.57Å; Y25-T155 HydrophobicContact CD2-CG2 4.36Å; Y25-T155 HydrophobicContact CE1-CG2 3.91Å; Y25-T155 HydrophobicContact CG-CG2 3.79Å; Y25-H161 AromaticContact CD2-CE1 3.93Å; Y25-H161 PolarHBondContact N-ND1 3.27Å; Y25-H161 VanDerWaalsContact N-ND1 3.2Å; Y25-H161 WeakPolarHBondContact O-CB 3.35Å; Y25-H161 PolarHBondContact O-N 2.98Å; Y25-H161 PolarHBondContact O-ND1 3.32Å
26	F	98.8	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.3	176.7	73.2	-88.3	0	0	0	112.7	T40 L41 A100 K101 G102 F103 F126 I162 M164	F26-T40 HydrophobicContact CB-CG2 4.49Å; F26-T40 HydrophobicContact CD1-CG2 3.75Å; F26-T40 HydrophobicContact CD2-CG2 4.29Å; F26-T40 HydrophobicContact CE1-CG2 3.94Å; F26-T40 HydrophobicContact CE2-CG2 4.45Å; F26-T40 HydrophobicContact CG-CG2 3.93Å; F26-T40 HydrophobicContact CZ-CG2 4.28Å; F26-L41 HydrophobicContact CE1-CD2 3.71Å; F26-L41 HydrophobicContact CE1-CG 4.06Å; F26-L41 HydrophobicContact CZ-CD1 4.43Å; F26-L41 HydrophobicContact CZ-CD2 3.91Å; F26-L41 HydrophobicContact CZ-CG 3.82Å; F26-A100 HydrophobicContact CD1-CB 4.49Å; F26-A100 HydrophobicContact CE1-CB 4.24Å; F26-K101 WeakPolarHBondContact CD1-O 3.46Å; F26-K101 PolarHBondContact N-O 2.78Å; F26-G102 CarbonylContact O-C 3.5Å; F26-G102 WeakPolarHBondContact O-CA 3.4Å; F26-F103 WeakPolarHBondContact O-CD2 3.18Å; F26-F103 PolarHBondContact O-N 3.29Å; F26-F126 HydrophobicContact CE2-CD2 4.11Å; F26-F126 HydrophobicContact CE2-CE2 4.23Å; F26-F126 HydrophobicContact CZ-CD2 4.04Å; F26-I162 CarbonylContact C-O 3.44Å; F26-I162 VanDerWaalsContact CA-O 3.27Å; F26-I162 WeakPolarHBondContact CA-O 3.43Å; F26-I162 HydrophobicContact CB-CD1 3.65Å; F26-I162 HydrophobicContact CB-CG1 3.23Å; F26-I162 HydrophobicContact CG-CD1 4.45Å; F26-I162 HydrophobicContact CG-CG1 4.44Å; F26-M164 HydrophobicContact CD2-CE 3.68Å; F26-M164 HydrophobicContact CE2-CE 4.16Å
27	A	98.9	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.4	169.3	0	0	0	0	0	111.1	F103 F147 I151 V160 I162 L163 M164	A27-F103 CarbonylContact C-O 3.58Å; A27-F103 VanDerWaalsContact CA-O 3.26Å; A27-F103 WeakPolarHBondContact CA-O 3.46Å; A27-F147 HydrophobicContact CB-CE1 4.15Å; A27-F147 HydrophobicContact CB-CZ 4.03Å; A27-I151 HydrophobicContact CB-CD1 4.22Å; A27-V160 HydrophobicContact CB-CG1 4.18Å; A27-V160 HydrophobicContact CB-CG2 4.11Å; A27-I162 PolarHBondContact N-O 3.14Å; A27-L163 HydrophobicContact CB-CB 4.45Å; A27-L163 HydrophobicContact CB-CD1 3.69Å; A27-L163 HydrophobicContact CB-CG 3.87Å; A27-L163 WeakPolarHBondContact O-CA 3.35Å; A27-M164 PolarHBondContact O-N 2.88Å
28	D	98.6	Very high	95.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.5	178.7	-162.6	14.7	0	0	0	109.1	A31 F36 S37 F103 G104 L105 F126 M164	D28-A31 HydrophobicContact CB-CB 4.07Å; D28-A31 WeakPolarHBondContact OD1-CB 3.28Å; D28-F36 WeakPolarHBondContact OD2-CB 3.26Å; D28-S37 WeakPolarHBondContact CB-OG 3.42Å; D28-S37 VanDerWaalsContact CG-OG 3.26Å; D28-S37 WeakPolarHBondContact OD2-CB 3.38Å; D28-S37 PolarHBondContact OD2-N 3Å; D28-S37 PolarHBondContact OD2-OG 3.42Å; D28-F103 PolarHBondContact N-O 3Å; D28-G104 WeakPolarHBondContact O-CA 3.34Å; D28-L105 PolarHBondContact O-N 3.2Å; D28-L105 VanDerWaalsContact O-N 3.09Å; D28-F126 HydrophobicContact CB-CE2 4.38Å; D28-M164 WeakPolarHBondContact CA-O 3.1Å; D28-M164 HydrophobicContact CB-CE 4.17Å
29	I	98.5	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	151.1	-172.6	70.9	172.8	0	0	0	112	A31 L105 V138 F147 L163 M164 A165 D166 Q189 C192	I29-A31 PolarHBondContact O-N 2.99Å; I29-L105 CarbonylContact C-O 3.56Å; I29-L105 WeakPolarHBondContact CA-O 3.4Å; I29-L105 HydrophobicContact CB-CB 4.4Å; I29-L105 HydrophobicContact CG2-CB 3.99Å; I29-V138 HydrophobicContact CD1-CG2 4.4Å; I29-F147 HydrophobicContact CG2-CE1 3.84Å; I29-F147 HydrophobicContact CG2-CZ 4.1Å; I29-L163 HydrophobicContact CD1-CD2 3.79Å; I29-L163 HydrophobicContact CG1-CD2 4.03Å; I29-M164 PolarHBondContact N-O 2.63Å; I29-A165 HydrophobicContact CD1-CB 4.02Å; I29-A165 HydrophobicContact CG1-CB 3.49Å; I29-A165 VanDerWaalsContact CG1-CB 3.49Å; I29-A165 VanDerWaalsContact O-CA 3.31Å; I29-A165 WeakPolarHBondContact O-CA 3.46Å; I29-D166 PolarHBondContact O-N 2.84Å; I29-Q189 HydrophobicContact CD1-CB 4.19Å; I29-Q189 HydrophobicContact CD1-CG 4.11Å; I29-C192 HydrophobicContact CD1-CB 3.63Å
30	C	97.3	Very high	95.3	Very high	25 Å²	25	27.5 Å²	27.5	17%	0.169	16%	0.158	C	C	.	.	S	Bend	trans	50.6	41	-174.3	-51.6	0	0	0	0	111.5	L105 V138 D166 G167	C30-L105 PolarHBondContact N-O 3.45Å; C30-V138 VanDerWaalsContact SG-CG1 3.6Å; C30-D166 CarbonylContact O-C 3.59Å; C30-G167 VanDerWaalsContact CB-CA 3.41Å; C30-G167 PolarHBondContact O-N 2.65Å
31	A	95.2	Very high	95.7	Very high	8 Å²	8	22.8 Å²	22.8	7%	0.066	14%	0.138	C	C	.	.			trans	-116.7	3.2	-154.5	0	0	0	0	0	114.8	D28 I29 G34 T106 F113	D28-A31 HydrophobicContact CB-CB 4.07Å; D28-A31 WeakPolarHBondContact OD1-CB 3.28Å; I29-A31 PolarHBondContact O-N 2.99Å; A31-G34 VanDerWaalsContact O-CA 3.32Å; A31-G34 WeakPolarHBondContact O-CA 3.34Å; A31-G34 PolarHBondContact O-N 3.28Å; A31-T106 PolarHBondContact N-OG1 3.38Å; A31-F113 HydrophobicContact CB-CE1 3.79Å; A31-F113 HydrophobicContact CB-CZ 4.04Å
32	G	93.8	Very high	96	Very high	30 Å²	30	19 Å²	19	31%	0.309	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	128.3	176.5	0	0	0	0	0	111.3	T106 C111	G32-T106 PolarHBondContact N-OG1 3.5Å; G32-C111 WeakPolarHBondContact CA-O 3.25Å
33	P	95.6	Very high	96	Very high	55 Å²	55	17.1 Å²	17.1	36%	0.357	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.6	1.9	16.9	37	-38.8	0	0	0	117.1	R114 F118	P33-R114 HydrophobicContact CB-CB 4.03Å; P33-R114 HydrophobicContact CB-CG 4.02Å; P33-R114 VanDerWaalsContact CB-NE 3.29Å; P33-R114 PolarHBondContact O-N 3.43Å; P33-F118 WeakPolarHBondContact O-CE1 3.39Å
34	G	95.8	Very high	95.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.098	C	C	.	.			trans	108.1	23.5	175.6	0	0	0	0	0	115.6	A31 F36 S37 E38 F118	A31-G34 VanDerWaalsContact O-CA 3.32Å; A31-G34 WeakPolarHBondContact O-CA 3.34Å; A31-G34 PolarHBondContact O-N 3.28Å; G34-F36 VanDerWaalsContact C-N 3.29Å; G34-F36 PolarHBondContact O-N 2.98Å; G34-S37 WeakPolarHBondContact O-CB 3.46Å; G34-S37 PolarHBondContact O-N 3.19Å; G34-E38 PolarHBondContact O-N 2.93Å; G34-F118 WeakPolarHBondContact O-CE1 3.47Å; G34-F118 VanDerWaalsContact O-CZ 3.25Å; G34-F118 WeakPolarHBondContact O-CZ 3.44Å
35	G	95	Very high	95.3	Very high	35 Å²	35	17 Å²	17	36%	0.361	10%	0.1	S	C	.	.	H	α-helix	trans	-66.8	-22.7	-175.1	0	0	0	0	0	115.3	Y39	G35-Y39 PolarHBondContact O-N 3.32Å
36	F	97.2	Very high	94.4	Very high	16 Å²	16	18.2 Å²	18.2	7%	0.07	11%	0.109	C	C	.	.	H	α-helix	trans	-75.8	-48	173.5	-77.3	10.7	0	0	0	110.2	K2 M3 D28 G34 E38 Y39 T40 M164 D166 L204 Y245	K2-F36 HydrophobicContact CB-CE1 3.98Å; K2-F36 HydrophobicContact CB-CZ 4.41Å; M3-F36 HydrophobicContact CB-CB 4.47Å; M3-F36 HydrophobicContact CB-CD1 3.73Å; M3-F36 HydrophobicContact CB-CE1 4.12Å; M3-F36 HydrophobicContact CB-CG 4.07Å; M3-F36 HydrophobicContact CG-CG 4.39Å; M3-F36 HydrophobicContact SD-CD2 4.25Å; M3-F36 HydrophobicContact SD-CE2 4.46Å; M3-F36 HydrophobicContact SD-CG 4.38Å; D28-F36 WeakPolarHBondContact OD2-CB 3.26Å; G34-F36 VanDerWaalsContact C-N 3.29Å; G34-F36 PolarHBondContact O-N 2.98Å; F36-E38 PolarHBondContact O-N 2.94Å; F36-Y39 PolarHBondContact O-N 3.42Å; F36-T40 PolarHBondContact O-N 3.27Å; F36-T40 PolarHBondContact O-OG1 3.39Å; F36-M164 HydrophobicContact CB-CE 4.09Å; F36-M164 HydrophobicContact CB-SD 4.11Å; F36-M164 HydrophobicContact CD2-CB 3.92Å; F36-M164 HydrophobicContact CD2-SD 4.42Å; F36-D166 HydrophobicContact CD2-CB 4.3Å; F36-D166 HydrophobicContact CE2-CB 3.88Å; F36-D166 HydrophobicContact CZ-CB 4.13Å; F36-D166 VanDerWaalsContact CZ-OD1 3.29Å; F36-D166 WeakPolarHBondContact CZ-OD1 3.4Å; F36-L204 HydrophobicContact CE2-CD2 4.09Å; F36-Y245 HydrophobicContact CE2-CE1 4.19Å; F36-Y245 AromaticContact CZ-CE1 3.88Å; F36-Y245 HydrophobicContact CZ-CE1 3.88Å
37	S	97.4	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-52.8	-47.7	170.7	-64.1	0	0	0	0	113.3	D28 G34 Y39 T40 L41 F126	D28-S37 WeakPolarHBondContact CB-OG 3.42Å; D28-S37 VanDerWaalsContact CG-OG 3.26Å; D28-S37 WeakPolarHBondContact OD2-CB 3.38Å; D28-S37 PolarHBondContact OD2-N 3Å; D28-S37 PolarHBondContact OD2-OG 3.42Å; G34-S37 WeakPolarHBondContact O-CB 3.46Å; G34-S37 PolarHBondContact O-N 3.19Å; S37-Y39 VanDerWaalsContact C-N 3.32Å; S37-Y39 PolarHBondContact O-N 2.89Å; S37-T40 PolarHBondContact O-N 2.87Å; S37-L41 WeakPolarHBondContact O-CB 3.47Å; S37-L41 VanDerWaalsContact O-CG 3.26Å; S37-L41 WeakPolarHBondContact O-CG 3.39Å; S37-L41 PolarHBondContact O-N 3.4Å; S37-F126 WeakPolarHBondContact OG-CE2 3.35Å
38	E	94.6	Very high	90.9	Very high	30 Å²	30	23.5 Å²	23.5	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-44.8	178.1	-176.1	179.8	-151	0	0	111.5	G34 F36 W42 F118 L119 A120 R433	G34-E38 PolarHBondContact O-N 2.93Å; F36-E38 PolarHBondContact O-N 2.94Å; E38-W42 WeakPolarHBondContact O-CB 3.23Å; E38-W42 PolarHBondContact O-N 3.23Å; E38-F118 HydrophobicContact CB-CD1 4.35Å; E38-F118 HydrophobicContact CB-CD2 4.35Å; E38-F118 HydrophobicContact CB-CG 4.24Å; E38-F118 HydrophobicContact CG-CG 4.49Å; E38-L119 PolarHBondContact OE1-N 3.41Å; E38-A120 HydrophobicContact CG-CB 4.04Å; E38-A120 PolarHBondContact OE1-N 2.89Å; E38-R433 IonicContact OE2-NH2 2.73Å
39	Y	94.8	Very high	88.2	Confident	17 Å²	17	29.1 Å²	29.1	7%	0.067	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-48.7	176.1	167.6	-98.8	0	0	0	112.1	M3 A4 D7 T15 G35 F36 S37 L41 W42 R43 I428	M3-Y39 HydrophobicContact CB-CD1 3.62Å; M3-Y39 HydrophobicContact CB-CE1 4.31Å; M3-Y39 HydrophobicContact CB-CG 4.07Å; M3-Y39 HydrophobicContact CG-CD1 3.33Å; M3-Y39 HydrophobicContact CG-CE1 3.84Å; M3-Y39 HydrophobicContact CG-CG 4.25Å; A4-Y39 VanDerWaalsContact CA-CE2 3.44Å; A4-Y39 HydrophobicContact CB-CD2 3.63Å; A4-Y39 HydrophobicContact CB-CE2 3.37Å; A4-Y39 HydrophobicContact CB-CG 4.42Å; D7-Y39 HydrophobicContact CB-CE1 3.84Å; D7-Y39 PolarHBondContact OD2-OH 3.38Å; T15-Y39 HydrophobicContact CG2-CE1 3.79Å; G35-Y39 PolarHBondContact O-N 3.32Å; F36-Y39 PolarHBondContact O-N 3.42Å; S37-Y39 VanDerWaalsContact C-N 3.32Å; S37-Y39 PolarHBondContact O-N 2.89Å; Y39-L41 PolarHBondContact O-N 2.99Å; Y39-W42 HydrophobicContact CD2-CE3 4.02Å; Y39-W42 HydrophobicContact CD2-CZ3 4.23Å; Y39-W42 HydrophobicContact CE2-CE3 4.15Å; Y39-W42 AromaticContact CE2-CZ3 3.97Å; Y39-W42 HydrophobicContact CE2-CZ3 3.97Å; Y39-W42 PolarHBondContact O-N 3.03Å; Y39-R43 HydrophobicContact CE1-CB 4.39Å; Y39-R43 HydrophobicContact CE2-CB 4.09Å; Y39-R43 WeakPolarHBondContact O-CB 3.33Å; Y39-R43 PolarHBondContact O-N 3.49Å; Y39-R43 PolarHBondContact OH-NE 2.89Å; Y39-R43 VanDerWaalsContact OH-NE 3.09Å; Y39-R43 PolarHBondContact OH-NH2 2.88Å; Y39-I428 HydrophobicContact CE2-CD1 4.17Å
40	T	96.2	Very high	85.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-46	-176.3	-63.6	0	0	0	0	111	L24 F26 F36 S37 R44 I162	L24-T40 HydrophobicContact CD2-CG2 4.04Å; F26-T40 HydrophobicContact CB-CG2 4.49Å; F26-T40 HydrophobicContact CD1-CG2 3.75Å; F26-T40 HydrophobicContact CD2-CG2 4.29Å; F26-T40 HydrophobicContact CE1-CG2 3.94Å; F26-T40 HydrophobicContact CE2-CG2 4.45Å; F26-T40 HydrophobicContact CG-CG2 3.93Å; F26-T40 HydrophobicContact CZ-CG2 4.28Å; F36-T40 PolarHBondContact O-N 3.27Å; F36-T40 PolarHBondContact O-OG1 3.39Å; S37-T40 PolarHBondContact O-N 2.87Å; T40-R44 VanDerWaalsContact O-CB 3.24Å; T40-R44 WeakPolarHBondContact O-CB 3.39Å; T40-R44 PolarHBondContact O-N 3.34Å; T40-I162 HydrophobicContact CG2-CD1 3.93Å
41	L	93.6	Very high	82.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-49.4	175.2	-69.4	168.7	0	0	0	111.5	F26 S37 Y39 C45 A100 F118 A125 F126	F26-L41 HydrophobicContact CE1-CD2 3.71Å; F26-L41 HydrophobicContact CE1-CG 4.06Å; F26-L41 HydrophobicContact CZ-CD1 4.43Å; F26-L41 HydrophobicContact CZ-CD2 3.91Å; F26-L41 HydrophobicContact CZ-CG 3.82Å; S37-L41 WeakPolarHBondContact O-CB 3.47Å; S37-L41 VanDerWaalsContact O-CG 3.26Å; S37-L41 WeakPolarHBondContact O-CG 3.39Å; S37-L41 PolarHBondContact O-N 3.4Å; Y39-L41 PolarHBondContact O-N 2.99Å; L41-C45 VanDerWaalsContact O-CB 3.26Å; L41-C45 WeakPolarHBondContact O-CB 3.24Å; L41-C45 PolarHBondContact O-N 3.04Å; L41-C45 PolarHBondContact O-SG 3.43Å; L41-A100 HydrophobicContact CD2-CB 4.04Å; L41-F118 HydrophobicContact CD1-CD2 4.07Å; L41-F118 HydrophobicContact CD1-CE2 4.11Å; L41-A125 HydrophobicContact CD2-CB 3.88Å; L41-F126 HydrophobicContact CD1-CB 4.02Å
42	W	90.8	Very high	79.2	Confident	49 Å²	49	47.2 Å²	47.2	19%	0.186	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-50.6	179	168.7	76.1	0	0	0	111.4	E38 Y39 N46 A120 I428 P429	E38-W42 WeakPolarHBondContact O-CB 3.23Å; E38-W42 PolarHBondContact O-N 3.23Å; Y39-W42 HydrophobicContact CD2-CE3 4.02Å; Y39-W42 HydrophobicContact CD2-CZ3 4.23Å; Y39-W42 HydrophobicContact CE2-CE3 4.15Å; Y39-W42 AromaticContact CE2-CZ3 3.97Å; Y39-W42 HydrophobicContact CE2-CZ3 3.97Å; Y39-W42 PolarHBondContact O-N 3.03Å; W42-N46 VanDerWaalsContact O-CB 3.29Å; W42-N46 WeakPolarHBondContact O-CB 3.27Å; W42-N46 PolarHBondContact O-N 2.72Å; W42-N46 VanDerWaalsContact O-N 3.09Å; W42-N46 PolarHBondContact O-ND2 2.88Å; W42-A120 HydrophobicContact CB-CB 3.84Å; W42-A120 HydrophobicContact CG-CB 3.88Å; W42-I428 HydrophobicContact CE3-CD1 4.35Å; W42-I428 HydrophobicContact CH2-CD1 3.45Å; W42-I428 VanDerWaalsContact CH2-CD1 3.45Å; W42-I428 HydrophobicContact CZ3-CD1 3.27Å; W42-P429 HydrophobicContact CZ2-CG 4.06Å
43	R	91.8	Very high	76	Confident	35 Å²	35	51 Å²	51	13%	0.132	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-49.8	-176.9	177.1	66	74	-165.7	6.2	110.7	T15 Y39 N46 A47 W426 K427 I428	T15-R43 HydrophobicContact CG2-CB 3.88Å; T15-R43 HydrophobicContact CG2-CG 3.69Å; T15-R43 WeakPolarHBondContact OG1-CG 3.43Å; Y39-R43 HydrophobicContact CE1-CB 4.39Å; Y39-R43 HydrophobicContact CE2-CB 4.09Å; Y39-R43 WeakPolarHBondContact O-CB 3.33Å; Y39-R43 PolarHBondContact O-N 3.49Å; Y39-R43 PolarHBondContact OH-NE 2.89Å; Y39-R43 VanDerWaalsContact OH-NE 3.09Å; Y39-R43 PolarHBondContact OH-NH2 2.88Å; R43-N46 CarbonylContact O-C 3.59Å; R43-N46 PolarHBondContact O-N 2.98Å; R43-A47 WeakPolarHBondContact O-CA 3.48Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.25Å; R43-W426 PolarHBondContact NH2-O 2.67Å; R43-K427 PolarHBondContact NH1-O 2.91Å; R43-I428 VanDerWaalsContact NH2-CD1 3.28Å
44	R	91.7	Very high	73	Confident	14 Å²	14	53 Å²	53	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-41.3	-175.5	-175.9	56	175.9	-158.8	4.1	111.5	T15 A18 P19 D22 L24 T40 N46 S99 A100	T15-R44 WeakPolarHBondContact O-CD 3.09Å; T15-R44 PolarHBondContact O-NH1 2.94Å; T15-R44 VanDerWaalsContact O-NH1 3.13Å; A18-R44 PolarHBondContact O-NH1 3.28Å; A18-R44 PolarHBondContact O-NH2 3Å; P19-R44 PolarHBondContact O-NH2 3.19Å; D22-R44 PolarHBondContact O-NH2 3.13Å; L24-R44 HydrophobicContact CB-CG 3.99Å; L24-R44 HydrophobicContact CD2-CB 4.18Å; L24-R44 HydrophobicContact CD2-CG 3.96Å; T40-R44 VanDerWaalsContact O-CB 3.24Å; T40-R44 WeakPolarHBondContact O-CB 3.39Å; T40-R44 PolarHBondContact O-N 3.34Å; R44-N46 VanDerWaalsContact C-N 3.3Å; R44-N46 PolarHBondContact O-N 3.41Å; R44-S99 WeakPolarHBondContact CG-O 3.24Å; R44-S99 PolarHBondContact NE-O 3.28Å; R44-S99 PolarHBondContact O-OG 2.99Å; R44-A100 HydrophobicContact CB-CB 4Å; R44-A100 HydrophobicContact CG-CB 3.79Å
45	C	86.8	Confident	69.6	Low	7 Å²	7	60.2 Å²	60.2	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-78.4	-12.5	-178.7	-57.1	0	0	0	0	114.3	L41 P96 L97 P122	L41-C45 VanDerWaalsContact O-CB 3.26Å; L41-C45 WeakPolarHBondContact O-CB 3.24Å; L41-C45 PolarHBondContact O-N 3.04Å; L41-C45 PolarHBondContact O-SG 3.43Å; C45-P96 VanDerWaalsContact O-CA 3.25Å; C45-P96 WeakPolarHBondContact O-CA 3.34Å; C45-P96 WeakPolarHBondContact O-CB 3.37Å; C45-L97 VanDerWaalsContact CA-O 3.29Å; C45-L97 WeakPolarHBondContact CA-O 3.19Å; C45-L97 PolarHBondContact O-N 2.91Å; C45-L97 VanDerWaalsContact O-N 3.13Å; C45-P122 HydrophobicContact CB-CG 4.42Å
46	N	80.9	Confident	66.5	Low	59 Å²	59	63.8 Å²	63.8	32%	0.316	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	15.5	179.1	-61.3	-82.6	0	0	0	113.1	W42 R43 R44 P48	W42-N46 VanDerWaalsContact O-CB 3.29Å; W42-N46 WeakPolarHBondContact O-CB 3.27Å; W42-N46 PolarHBondContact O-N 2.72Å; W42-N46 VanDerWaalsContact O-N 3.09Å; W42-N46 PolarHBondContact O-ND2 2.88Å; R43-N46 CarbonylContact O-C 3.59Å; R43-N46 PolarHBondContact O-N 2.98Å; R44-N46 VanDerWaalsContact C-N 3.3Å; R44-N46 PolarHBondContact O-N 3.41Å; N46-P48 WeakPolarHBondContact O-CD 3.2Å
47	A	68.7	Low	63.1	Low	49 Å²	49	69.6 Å²	69.6	41%	0.405	39%	0.386	S	S	.	.			trans	-66.7	127.9	-174.6	0	0	0	0	0	111.4	R43 Y49	R43-A47 WeakPolarHBondContact O-CA 3.48Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.25Å; A47-Y49 PolarHBondContact O-N 2.72Å
48	P	54.9	Low	59.9	Low	63 Å²	63	77.6 Å²	77.6	41%	0.409	43%	0.428	S	S	.	.			trans	-70.2	133.3	177.1	23.4	-29	0	0	0	111.8	N46 H50 Q94	N46-P48 WeakPolarHBondContact O-CD 3.2Å; P48-H50 PolarHBondContact O-N 3.21Å; P48-Q94 VanDerWaalsContact CB-OE1 3.31Å
49	Y	42.3	Very low	56.8	Low	119 Å²	119	81 Å²	81	47%	0.467	46%	0.455	S	S	.	.			trans	-67.2	96.3	169.5	-96.9	-98.7	0	0	0	108.6	D21 A47 Q94	D21-Y49 PolarHBondContact OD1-OH 3.19Å; A47-Y49 PolarHBondContact O-N 2.72Å; Y49-Q94 VanDerWaalsContact N-CD 3.32Å; Y49-Q94 PolarHBondContact O-NE2 2.94Å; Y49-Q94 VanDerWaalsContact O-NE2 3.1Å
50	H	40.5	Very low	53.6	Low	114 Å²	114	85.5 Å²	85.5	53%	0.528	49%	0.487	S	S	.	.			trans	-98.8	114.5	155.5	-68.3	-65.2	0	0	0	108.3	K20 P48 H52	K20-H50 PolarHBondContact NZ-O 3.23Å; K20-H50 VanDerWaalsContact NZ-O 3.14Å; P48-H50 PolarHBondContact O-N 3.21Å; H50-H52 PolarHBondContact O-N 3.17Å
51	T	28.1	Very low	50.4	Low	131 Å²	131	92.7 Å²	92.7	80%	0.804	53%	0.525	S	S	*	.			trans	-70.7	94.8	163.4	42.2	0	0	0	0	107.8	S53	T51-S53 PolarHBondContact O-N 3.07Å
52	H	32.9	Very low	47.4	Very low	168 Å²	168	101.8 Å²	101.8	78%	0.778	57%	0.567	S	S	*	*			trans	-81.3	102.9	152.2	-79	-63.7	0	0	0	106.5	H50 S54	H50-H52 PolarHBondContact O-N 3.17Å; H52-S54 VanDerWaalsContact C-N 3.28Å; H52-S54 PolarHBondContact O-N 3.36Å
53	S	26.1	Very low	44.3	Very low	108 Å²	108	108 Å²	108	76%	0.755	60%	0.598	S	S	*	*			trans	-54	99.4	153.4	164.1	0	0	0	0	106.9	T51 N55	T51-S53 PolarHBondContact O-N 3.07Å; S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact O-N 3.16Å
54	S	32.1	Very low	41.4	Very low	99 Å²	99	111.4 Å²	111.4	69%	0.692	63%	0.627	S	S	*	*			trans	-89.5	75.6	169.1	58.6	0	0	0	0	108.4	H52 T56	H52-S54 VanDerWaalsContact C-N 3.28Å; H52-S54 PolarHBondContact O-N 3.36Å; S54-T56 VanDerWaalsContact C-N 3.29Å
55	N	26.3	Very low	38.3	Very low	151 Å²	151	118.5 Å²	118.5	81%	0.807	67%	0.666	S	S	*	*			trans	-90.7	74.1	147.8	-94	-1.5	0	0	0	107.5	S53	S53-N55 VanDerWaalsContact C-N 3.31Å; S53-N55 PolarHBondContact O-N 3.16Å
56	T	29	Very low	35.7	Very low	110 Å²	110	126.1 Å²	126.1	68%	0.675	71%	0.705	S	S	*	*			trans	-147	92.1	159.6	37.5	0	0	0	0	108.1	S54 L58	S54-T56 VanDerWaalsContact C-N 3.29Å; T56-L58 PolarHBondContact O-N 3.37Å; T56-L58 VanDerWaalsContact O-N 3.13Å
57	T	26.7	Very low	33.2	Very low	139 Å²	139	130.5 Å²	130.5	85%	0.853	73%	0.728	S	S	*	*			trans	-49.6	107	153	40.1	0	0	0	0	109.2	S59	T57-S59 PolarHBondContact O-N 3.19Å
58	L	30.1	Very low	31.4	Very low	167 Å²	167	135 Å²	135	87%	0.874	75%	0.745	S	S	*	*			trans	-82.8	97.6	165	-81.9	153.9	0	0	0	107.6	T56	T56-L58 PolarHBondContact O-N 3.37Å; T56-L58 VanDerWaalsContact O-N 3.13Å
59	S	27.7	Very low	30.3	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	77%	0.768	S	S	*	*			trans	-75.6	142	158.4	-67.2	0	0	0	0	109.1	T57	T57-S59 PolarHBondContact O-N 3.19Å
60	P	29.2	Very low	29.6	Very low	112 Å²	112	143.3 Å²	143.3	73%	0.727	78%	0.783	S	S	*	*			trans	-82	123.4	175.8	32.8	-28.3	0	0	0	108.5
61	N	27.6	Very low	29	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	80%	0.795	S	S	*	*			trans	162.6	101	147.7	-83.1	-20.5	0	0	0	110.1
62	H	30.9	Very low	29.1	Very low	191 Å²	191	147.5 Å²	147.5	88%	0.884	80%	0.798	S	S	*	*				-176.2	117.3	122.5	-105.7	-60.9	0	0	0	111.5
63	H	25.7	Very low	28.7	Very low	180 Å²	180	146.7 Å²	146.7	83%	0.833	80%	0.8	S	S	*	*			trans	-59.6	131	155.5	-82.7	-79.5	0	0	0	110.2
64	S	30.3	Very low	29.1	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	81%	0.807	S	S	*	*				174	125.3	122.8	44	0	0	0	0	113
65	N	27.8	Very low	28.8	Very low	162 Å²	162	149.8 Å²	149.8	87%	0.866	81%	0.81	S	S	*	*			trans	35.4	115.1	142.7	-64.3	-13.1	0	0	0	120.5
66	I	31.4	Very low	28.9	Very low	168 Å²	168	151.5 Å²	151.5	86%	0.862	81%	0.814	S	S	*	*			trans	-109.7	114.8	156	-65.1	174.1	0	0	0	108
67	N	29.9	Very low	29.1	Very low	151 Å²	151	152 Å²	152	81%	0.807	82%	0.821	S	S	*	*			trans	-124.3	132.6	154.2	-94.4	-11.7	0	0	0	107.7
68	D	29.4	Very low	29.1	Very low	142 Å²	142	152 Å²	152	76%	0.759	82%	0.815	S	S	*	*			trans	40.7	120.8	151	-64.5	-25.3	0	0	0	121.2
69	K	32.3	Very low	29.2	Very low	207 Å²	207	152.3 Å²	152.3	90%	0.9	82%	0.817	S	S	*	*				176.9	154.6	102	-97.7	179.3	179.9	178.2	0	114.4
70	L	26.8	Very low	29.2	Very low	150 Å²	150	154.7 Å²	154.7	79%	0.785	82%	0.817	S	S	*	*			trans	-73	160.3	-178.4	-80.6	133	0	0	0	115.6
71	L	27.8	Very low	29.2	Very low	148 Å²	148	156.2 Å²	156.2	78%	0.775	82%	0.819	S	S	*	*			trans	43.7	126	146.9	-101.8	86.2	0	0	0	120.5
72	E	30.1	Very low	29.3	Very low	186 Å²	186	154.1 Å²	154.1	87%	0.869	82%	0.816	S	S	*	*				-177.4	152.2	107.8	-105.3	176.2	-179.4	0	0	113
73	D	26.1	Very low	29.2	Very low	150 Å²	150	151.2 Å²	151.2	80%	0.802	81%	0.814	S	S	*	*			trans	-63.9	156.5	-179.3	-70.1	-50.5	0	0	0	114.6
74	T	32.9	Very low	29.4	Very low	147 Å²	147	148.3 Å²	148.3	90%	0.902	81%	0.809	S	S	*	*			trans	-164	136.9	137	14.4	0	0	0	0	111.8
75	T	26.1	Very low	29.3	Very low	126 Å²	126	150.7 Å²	150.7	77%	0.773	81%	0.814	S	S	*	*			trans	-86.8	170.1	176.7	40.3	0	0	0	0	113.1
76	E	29.7	Very low	29.2	Very low	187 Å²	187	152 Å²	152	87%	0.874	81%	0.812	S	S	*	*			trans	92.7	131.2	169.9	-55.2	-173.9	176.2	0	0	114.5
77	S	32.1	Very low	28.9	Very low	119 Å²	119	149.4 Å²	149.4	83%	0.832	80%	0.804	S	S	*	*			cis	-162.2	165.4	31.8	43.2	0	0	0	0	112.2
78	I	27.9	Very low	28.8	Very low	140 Å²	140	147.5 Å²	147.5	72%	0.718	80%	0.802	S	S	*	*			trans	-58.3	138	177	-66.8	150.5	0	0	0	112.4
79	D	31.2	Very low	28.6	Very low	173 Å²	173	146.6 Å²	146.6	93%	0.925	80%	0.802	S	S	*	*			trans	-143.6	132.8	148.1	-111.7	-22	0	0	0	112.3
80	H	27.7	Very low	28.5	Very low	153 Å²	153	142.3 Å²	142.3	71%	0.708	79%	0.793	S	S	*	*			trans	-93.6	150.2	-172.6	-99.7	-75.7	0	0	0	111.4
81	N	29.8	Very low	28.8	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	79%	0.791	S	S	*	*			trans	80.1	97.1	153.3	-58.7	-21.8	0	0	0	118.7
82	S	29.4	Very low	29.2	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	79%	0.794	S	S	*	*			trans	-144	136.2	137.9	-86	0	0	0	0	110.5	T84	S82-T84 PolarHBondContact O-N 3.12Å; S82-T84 VanDerWaalsContact O-N 3.13Å
83	P	29	Very low	30	Very low	131 Å²	131	141.8 Å²	141.8	85%	0.851	79%	0.792	S	S	*	*			trans	-74	108	-175.5	29.9	-30.7	0	0	0	108.9	N85	P83-N85 PolarHBondContact O-N 3.39Å; P83-N85 VanDerWaalsContact O-N 3.12Å
84	T	28.9	Very low	31.3	Very low	119 Å²	119	139.5 Å²	139.5	73%	0.73	78%	0.776	S	S	*	*			trans	-75.5	102.7	173.6	41	0	0	0	0	109.3	S82 K86	S82-T84 PolarHBondContact O-N 3.12Å; S82-T84 VanDerWaalsContact O-N 3.13Å; T84-K86 PolarHBondContact O-N 3.49Å
85	N	27.9	Very low	32.8	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	76%	0.755	S	S	*	*			trans	-55.7	93.8	153.4	-94.1	-18.8	0	0	0	107.9	P83 T87	P83-N85 PolarHBondContact O-N 3.39Å; P83-N85 VanDerWaalsContact O-N 3.12Å; N85-T87 PolarHBondContact O-N 3.13Å
86	K	25.9	Very low	34.9	Very low	190 Å²	190	132.8 Å²	132.8	83%	0.826	73%	0.729	S	S	*	*			trans	-72.7	72.7	165.1	-74.8	-178.6	178.6	175.8	0	108.4	T84 S88	T84-K86 PolarHBondContact O-N 3.49Å; K86-S88 PolarHBondContact O-N 2.94Å; K86-S88 VanDerWaalsContact O-N 3.12Å
87	T	26.8	Very low	37.3	Very low	113 Å²	113	126.2 Å²	126.2	69%	0.693	70%	0.699	S	S	*	*			trans	-64.4	105.9	149.8	29.6	0	0	0	0	106.2	N85 T89	N85-T87 PolarHBondContact O-N 3.13Å; T87-T89 PolarHBondContact O-N 3.11Å
88	S	26.5	Very low	39.9	Very low	110 Å²	110	121 Å²	121	77%	0.769	66%	0.662	S	S	*	*			trans	-57.3	84.8	166.5	50.7	0	0	0	0	109.1	K86 T90	K86-S88 PolarHBondContact O-N 2.94Å; K86-S88 VanDerWaalsContact O-N 3.12Å; S88-T90 PolarHBondContact O-N 2.86Å
89	T	26.6	Very low	43	Very low	123 Å²	123	114.9 Å²	114.9	76%	0.755	63%	0.631	S	S	*	*			trans	-65.9	95.4	154.4	49.6	0	0	0	0	104.8	T87 S91	T87-T89 PolarHBondContact O-N 3.11Å; T89-S91 PolarHBondContact O-N 3.46Å
90	T	30	Very low	46.1	Very low	118 Å²	118	106.6 Å²	106.6	72%	0.724	59%	0.587	S	S	*	*			trans	-43.1	109.5	158.3	32.5	0	0	0	0	106.2	S88 E92	S88-T90 PolarHBondContact O-N 2.86Å; T90-E92 PolarHBondContact O-N 3.3Å
91	S	31.6	Very low	49.4	Very low	106 Å²	106	99.5 Å²	99.5	74%	0.741	55%	0.554	S	S	*	*			trans	-55.8	96.5	167.3	27.7	0	0	0	0	105.5	T89 K93	T89-S91 PolarHBondContact O-N 3.46Å; S91-K93 VanDerWaalsContact C-N 3.27Å; S91-K93 PolarHBondContact O-N 2.97Å
92	E	38	Very low	52.6	Low	177 Å²	177	92.7 Å²	92.7	83%	0.827	52%	0.518	S	S	*	.			trans	-54.3	102.4	171.7	-80.3	-170.8	147.7	0	0	105.2	T90 Q94	T90-E92 PolarHBondContact O-N 3.3Å; E92-Q94 VanDerWaalsContact C-N 3.29Å; E92-Q94 PolarHBondContact O-N 2.87Å
93	K	45.1	Very low	55.9	Low	190 Å²	190	87.6 Å²	87.6	83%	0.826	48%	0.482	S	S	*	.			trans	-55.6	104.3	172.2	-79.6	-177.9	175	179.9	0	105.1	S91 Q95	S91-K93 VanDerWaalsContact C-N 3.27Å; S91-K93 PolarHBondContact O-N 2.97Å; K93-Q95 WeakPolarHBondContact O-CG 3.41Å; K93-Q95 PolarHBondContact O-N 3.42Å; K93-Q95 VanDerWaalsContact O-N 3.09Å
94	Q	55.1	Low	59.2	Low	102 Å²	102	81.3 Å²	81.3	48%	0.477	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-51.7	119.2	-175.6	-80.4	164.8	-3	0	0	108.3	P48 Y49 E92	P48-Q94 VanDerWaalsContact CB-OE1 3.31Å; Y49-Q94 VanDerWaalsContact N-CD 3.32Å; Y49-Q94 PolarHBondContact O-NE2 2.94Å; Y49-Q94 VanDerWaalsContact O-NE2 3.1Å; E92-Q94 VanDerWaalsContact C-N 3.29Å; E92-Q94 PolarHBondContact O-N 2.87Å
95	Q	63.2	Low	62.5	Low	99 Å²	99	75.7 Å²	75.7	46%	0.463	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-82.3	138.3	-172.3	-62.1	-165.2	-0.6	0	0	109.5	K93 R482	K93-Q95 WeakPolarHBondContact O-CG 3.41Å; K93-Q95 PolarHBondContact O-N 3.42Å; K93-Q95 VanDerWaalsContact O-N 3.09Å; Q95-R482 HydrophobicContact CB-CB 4.28Å; Q95-R482 HydrophobicContact CB-CG 3.8Å
96	P	70.4	Confident	65.8	Low	33 Å²	33	68.5 Å²	68.5	21%	0.214	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-52.3	142.4	177.4	-25	32.6	0	0	0	112.1	C45	C45-P96 VanDerWaalsContact O-CA 3.25Å; C45-P96 WeakPolarHBondContact O-CA 3.34Å; C45-P96 WeakPolarHBondContact O-CB 3.37Å
97	L	80.2	Confident	69.2	Low	48 Å²	48	63.5 Å²	63.5	25%	0.251	35%	0.351	S	S	.	.			trans	-131.5	124.3	174.5	177	64.1	0	0	0	109.6	C45 S99 L495	C45-L97 VanDerWaalsContact CA-O 3.29Å; C45-L97 WeakPolarHBondContact CA-O 3.19Å; C45-L97 PolarHBondContact O-N 2.91Å; C45-L97 VanDerWaalsContact O-N 3.13Å; L97-S99 PolarHBondContact O-N 3.17Å; L97-S99 PolarHBondContact O-OG 2.83Å; L97-L495 HydrophobicContact CD1-CD2 3.97Å
98	L	87.8	Confident	72.4	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	34%	0.336	C	S	.	.			trans	-63.3	110	172	-160.9	69.1	0	0	0	108.8	P122 A125 Y480 M499 I502 I503	L98-P122 HydrophobicContact CD1-CB 3.62Å; L98-P122 HydrophobicContact CD1-CG 3.27Å; L98-A125 HydrophobicContact CD1-CB 3.93Å; L98-Y480 HydrophobicContact CD1-CD2 4.37Å; L98-Y480 HydrophobicContact CD1-CE2 4.24Å; L98-Y480 HydrophobicContact CD2-CD2 4.29Å; L98-Y480 HydrophobicContact CD2-CE2 3.83Å; L98-M499 HydrophobicContact CD2-CB 4.43Å; L98-M499 HydrophobicContact CD2-CG 4.03Å; L98-I502 HydrophobicContact CB-CD1 4.05Å; L98-I502 HydrophobicContact CD1-CG2 4.45Å; L98-I502 HydrophobicContact CD2-CB 3.83Å; L98-I502 HydrophobicContact CD2-CD1 4.07Å; L98-I502 HydrophobicContact CD2-CG2 3.64Å; L98-I502 HydrophobicContact CG-CB 4.24Å; L98-I502 HydrophobicContact CG-CD1 3.72Å; L98-I502 HydrophobicContact CG-CG2 3.81Å; L98-I502 WeakPolarHBondContact O-CD1 3.45Å; L98-I503 HydrophobicContact CD2-CG2 3.79Å
99	S	92.1	Very high	75.6	Confident	12 Å²	12	58.7 Å²	58.7	8%	0.084	33%	0.328	C	S	.	.			trans	-147.2	20.2	-169.2	53.6	0	0	0	0	112.9	L24 R44 L97	L24-S99 PolarHBondContact N-O 3.06Å; R44-S99 WeakPolarHBondContact CG-O 3.24Å; R44-S99 PolarHBondContact NE-O 3.28Å; R44-S99 PolarHBondContact O-OG 2.99Å; L97-S99 PolarHBondContact O-N 3.17Å; L97-S99 PolarHBondContact O-OG 2.83Å
100	A	95.5	Very high	78.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.2	175.6	0	0	0	0	0	109.9	L24 F26 L41 R44 A125 I502	L24-A100 HydrophobicContact CB-CB 4.34Å; L24-A100 CarbonylContact O-C 3.57Å; L24-A100 VanDerWaalsContact O-CA 3.28Å; L24-A100 WeakPolarHBondContact O-CA 3.39Å; F26-A100 HydrophobicContact CD1-CB 4.49Å; F26-A100 HydrophobicContact CE1-CB 4.24Å; L41-A100 HydrophobicContact CD2-CB 4.04Å; R44-A100 HydrophobicContact CB-CB 4Å; R44-A100 HydrophobicContact CG-CB 3.79Å; A100-A125 WeakPolarHBondContact O-CB 3.35Å; A100-I502 WeakPolarHBondContact O-CG2 3.26Å
101	K	97.2	Very high	81.4	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.3	172.3	-171.9	-169.4	-171.6	92.6	0	109.2	I23 L24 Y25 F26 F103 A125 N501 I502 N504 F505	I23-K101 HydrophobicContact CG2-CB 3.84Å; L24-K101 PolarHBondContact O-N 3.18Å; Y25-K101 WeakPolarHBondContact CA-O 3.47Å; Y25-K101 HydrophobicContact CD1-CB 3.95Å; Y25-K101 HydrophobicContact CD1-CD 3.85Å; Y25-K101 HydrophobicContact CD1-CG 4.4Å; Y25-K101 HydrophobicContact CE1-CB 4.17Å; Y25-K101 HydrophobicContact CE1-CD 3.55Å; Y25-K101 HydrophobicContact CE1-CG 4.47Å; F26-K101 WeakPolarHBondContact CD1-O 3.46Å; F26-K101 PolarHBondContact N-O 2.78Å; K101-F103 HydrophobicContact CD-CE2 4.43Å; K101-F103 HydrophobicContact CD-CZ 3.81Å; K101-F103 HydrophobicContact CG-CZ 4.21Å; K101-A125 CarbonylContact C-O 3.48Å; K101-A125 WeakPolarHBondContact CA-O 3.43Å; K101-N501 PolarHBondContact NZ-O 2.86Å; K101-I502 HydrophobicContact CB-CG2 4.32Å; K101-I502 PolarHBondContact NZ-O 3.21Å; K101-N504 PolarHBondContact NZ-O 2.94Å; K101-F505 HydrophobicContact CD-CE1 4.15Å; K101-F505 HydrophobicContact CD-CZ 4.41Å; K101-F505 VanDerWaalsContact CE-CE1 3.45Å; K101-F505 HydrophobicContact CG-CE1 3.75Å; K101-F505 HydrophobicContact CG-CZ 3.7Å
102	G	97.9	Very high	84.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143	-172.9	0	0	0	0	0	114.1	F26 A125 F126 M127 F505	F26-G102 CarbonylContact O-C 3.5Å; F26-G102 WeakPolarHBondContact O-CA 3.4Å; G102-A125 PolarHBondContact N-O 2.83Å; G102-F126 WeakPolarHBondContact O-CA 3.33Å; G102-M127 PolarHBondContact O-N 2.8Å; G102-F505 WeakPolarHBondContact O-CE1 3.5Å
103	F	98.2	Very high	87.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.3	173.7	-50.8	-89.4	0	0	0	109.7	Y25 F26 A27 D28 K101 F147 I151 S154 V160 F505	Y25-F103 HydrophobicContact CD1-CE2 4.13Å; Y25-F103 HydrophobicContact CD1-CZ 4.4Å; F26-F103 WeakPolarHBondContact O-CD2 3.18Å; F26-F103 PolarHBondContact O-N 3.29Å; A27-F103 CarbonylContact C-O 3.58Å; A27-F103 VanDerWaalsContact CA-O 3.26Å; A27-F103 WeakPolarHBondContact CA-O 3.46Å; D28-F103 PolarHBondContact N-O 3Å; K101-F103 HydrophobicContact CD-CE2 4.43Å; K101-F103 HydrophobicContact CD-CZ 3.81Å; K101-F103 HydrophobicContact CG-CZ 4.21Å; F103-F147 HydrophobicContact CB-CE2 3.79Å; F103-F147 HydrophobicContact CB-CZ 3.84Å; F103-I151 HydrophobicContact CB-CD1 4.29Å; F103-I151 HydrophobicContact CB-CG1 4.11Å; F103-I151 HydrophobicContact CD1-CG1 4.11Å; F103-I151 HydrophobicContact CD2-CD1 4.42Å; F103-I151 HydrophobicContact CD2-CG1 3.85Å; F103-I151 HydrophobicContact CE2-CG1 4.32Å; F103-I151 HydrophobicContact CG-CD1 4.39Å; F103-I151 HydrophobicContact CG-CG1 3.75Å; F103-S154 WeakPolarHBondContact CE1-OG 3.47Å; F103-V160 HydrophobicContact CD2-CG1 4.03Å; F103-V160 HydrophobicContact CE2-CG1 4.24Å; F103-F505 HydrophobicContact CD1-CD1 4.09Å; F103-F505 AromaticContact CD1-CE1 3.95Å; F103-F505 HydrophobicContact CD1-CE1 3.95Å; F103-F505 AromaticContact CE1-CD1 3.7Å; F103-F505 HydrophobicContact CE1-CD1 3.7Å; F103-F505 AromaticContact CE1-CE1 3.68Å; F103-F505 HydrophobicContact CE1-CE1 3.68Å; F103-F505 HydrophobicContact CZ-CE1 4.29Å
104	G	98	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141	-179.7	0	0	0	0	0	112.7	D28 F113 F126 M127 H129	D28-G104 WeakPolarHBondContact O-CA 3.34Å; G104-F113 VanDerWaalsContact CA-CZ 3.49Å; G104-F126 VanDerWaalsContact CA-CZ 3.41Å; G104-M127 PolarHBondContact N-O 2.91Å; G104-H129 WeakPolarHBondContact O-CA 3.42Å; G104-H129 PolarHBondContact O-N 3.13Å
105	L	97.9	Very high	90.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	113.5	165.9	177.1	69.1	0	0	0	108.9	D28 I29 C30 H129 V138 F147	D28-L105 PolarHBondContact O-N 3.2Å; D28-L105 VanDerWaalsContact O-N 3.09Å; I29-L105 CarbonylContact C-O 3.56Å; I29-L105 WeakPolarHBondContact CA-O 3.4Å; I29-L105 HydrophobicContact CB-CB 4.4Å; I29-L105 HydrophobicContact CG2-CB 3.99Å; C30-L105 PolarHBondContact N-O 3.45Å; L105-H129 WeakPolarHBondContact CD1-O 3.49Å; L105-V138 HydrophobicContact CD2-CB 4.27Å; L105-V138 HydrophobicContact CD2-CG2 4.07Å; L105-F147 HydrophobicContact CB-CD2 4.05Å; L105-F147 HydrophobicContact CB-CE1 4.38Å; L105-F147 HydrophobicContact CB-CE2 3.88Å; L105-F147 HydrophobicContact CB-CG 4.37Å; L105-F147 HydrophobicContact CB-CZ 4.05Å; L105-F147 HydrophobicContact CD2-CB 4.41Å; L105-F147 HydrophobicContact CD2-CD1 4.3Å; L105-F147 HydrophobicContact CD2-CG 4.24Å
106	T	97.8	Very high	91.7	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.031	25%	0.251	C	S	.	.			trans	-148.1	157	177.8	-164.5	0	0	0	0	110.2	A31 G32 T108 C111 F113 Y130 G136	A31-T106 PolarHBondContact N-OG1 3.38Å; G32-T106 PolarHBondContact N-OG1 3.5Å; T106-T108 PolarHBondContact O-N 2.96Å; T106-C111 WeakPolarHBondContact CG2-O 3.35Å; T106-C111 PolarHBondContact OG1-O 3.33Å; T106-F113 HydrophobicContact CG2-CD1 4.49Å; T106-F113 HydrophobicContact CG2-CD2 3.39Å; T106-F113 HydrophobicContact CG2-CE1 4.46Å; T106-F113 HydrophobicContact CG2-CE2 3.37Å; T106-F113 HydrophobicContact CG2-CG 3.98Å; T106-F113 HydrophobicContact CG2-CZ 3.93Å; T106-Y130 HydrophobicContact CG2-CE1 4.43Å; T106-Y130 WeakPolarHBondContact O-CD1 3.33Å; T106-G136 CarbonylContact C-O 3.58Å; T106-G136 WeakPolarHBondContact O-CA 3.31Å
107	L	97.1	Very high	92.5	Very high	85 Å²	85	47.9 Å²	47.9	45%	0.445	26%	0.257	S	S	.	.			trans	-56.4	134.3	173.9	-71.2	173.7	0	0	0	110.7	C111 D112 D135 D137	L107-C111 HydrophobicContact CB-CB 4.14Å; L107-C111 CarbonylContact O-C 3.58Å; L107-C111 VanDerWaalsContact O-O 3.11Å; L107-D112 WeakPolarHBondContact O-CA 3.27Å; L107-D112 PolarHBondContact O-N 2.79Å; L107-D135 VanDerWaalsContact CA-O 3.3Å; L107-D135 WeakPolarHBondContact CA-O 3.3Å; L107-D137 HydrophobicContact CD2-CB 3.79Å
108	T	95.2	Very high	92.9	Very high	63 Å²	63	46.1 Å²	46.1	39%	0.387	25%	0.248	S	C	.	.	S	Bend	trans	-68.2	168.1	174.1	57.7	0	0	0	0	112	T106 Y130 R134 D135	T106-T108 PolarHBondContact O-N 2.96Å; T108-Y130 HydrophobicContact CG2-CD1 3.35Å; T108-Y130 HydrophobicContact CG2-CE1 3.68Å; T108-Y130 HydrophobicContact CG2-CG 3.84Å; T108-R134 WeakPolarHBondContact CG2-O 3.5Å; T108-D135 PolarHBondContact N-O 3.03Å
109	G	93.3	Very high	92.6	Very high	59 Å²	59	47.5 Å²	47.5	61%	0.608	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	87.8	-122.6	176.3	0	0	0	0	0	112.8	C111 D112	G109-C111 VanDerWaalsContact C-N 3.29Å; G109-C111 PolarHBondContact O-N 2.8Å; G109-D112 WeakPolarHBondContact O-CB 3.43Å; G109-D112 PolarHBondContact O-N 2.76Å
110	Q	89.6	Confident	92	Very high	204 Å²	204	48.5 Å²	48.5	95%	0.953	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-73.8	-22.3	-174.6	-66.7	-174.2	1.7	0	0	113.5
111	C	87.5	Confident	91.2	Very high	67 Å²	67	48.6 Å²	48.6	45%	0.453	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-100.2	18	179.9	-58.9	0	0	0	0	112.3	G32 T106 L107 G109	G32-C111 WeakPolarHBondContact CA-O 3.25Å; T106-C111 WeakPolarHBondContact CG2-O 3.35Å; T106-C111 PolarHBondContact OG1-O 3.33Å; L107-C111 HydrophobicContact CB-CB 4.14Å; L107-C111 CarbonylContact O-C 3.58Å; L107-C111 VanDerWaalsContact O-O 3.11Å; G109-C111 VanDerWaalsContact C-N 3.29Å; G109-C111 PolarHBondContact O-N 2.8Å
112	D	95.4	Very high	90.5	Very high	42 Å²	42	48.7 Å²	48.7	23%	0.225	27%	0.266	C	S	.	.			trans	-77.8	161.3	-174.7	-149.6	-20.2	0	0	0	112.3	L107 G109 Y130	L107-D112 WeakPolarHBondContact O-CA 3.27Å; L107-D112 PolarHBondContact O-N 2.79Å; G109-D112 WeakPolarHBondContact O-CB 3.43Å; G109-D112 PolarHBondContact O-N 2.76Å; D112-Y130 WeakPolarHBondContact OD1-CE1 3.36Å; D112-Y130 VanDerWaalsContact OD1-CZ 3.23Å; D112-Y130 PolarHBondContact OD1-OH 3.35Å; D112-Y130 PolarHBondContact OD2-OH 2.82Å
113	F	94.2	Very high	90	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.061	27%	0.273	C	S	.	.			trans	-60.6	139.5	167.6	-69.1	-69.1	0	0	0	110.4	A31 G104 T106 E115 F126 A128	A31-F113 HydrophobicContact CB-CE1 3.79Å; A31-F113 HydrophobicContact CB-CZ 4.04Å; G104-F113 VanDerWaalsContact CA-CZ 3.49Å; T106-F113 HydrophobicContact CG2-CD1 4.49Å; T106-F113 HydrophobicContact CG2-CD2 3.39Å; T106-F113 HydrophobicContact CG2-CE1 4.46Å; T106-F113 HydrophobicContact CG2-CE2 3.37Å; T106-F113 HydrophobicContact CG2-CG 3.98Å; T106-F113 HydrophobicContact CG2-CZ 3.93Å; F113-E115 HydrophobicContact CB-CG 4.17Å; F113-F126 AromaticContact CD1-CE1 3.97Å; F113-F126 HydrophobicContact CD1-CE1 3.97Å; F113-F126 AromaticContact CD1-CZ 3.98Å; F113-F126 HydrophobicContact CD1-CZ 3.98Å; F113-F126 HydrophobicContact CD2-CE1 4.27Å; F113-F126 HydrophobicContact CD2-CZ 4.5Å; F113-F126 HydrophobicContact CE1-CE1 4.08Å; F113-F126 AromaticContact CE1-CZ 3.62Å; F113-F126 HydrophobicContact CE1-CZ 3.62Å; F113-F126 HydrophobicContact CE2-CE1 4.36Å; F113-F126 HydrophobicContact CE2-CZ 4.17Å; F113-F126 HydrophobicContact CG-CE1 4.08Å; F113-F126 HydrophobicContact CG-CZ 4.42Å; F113-F126 HydrophobicContact CZ-CE1 4.29Å; F113-F126 AromaticContact CZ-CZ 3.73Å; F113-F126 HydrophobicContact CZ-CZ 3.73Å; F113-A128 HydrophobicContact CD2-CB 3.52Å; F113-A128 HydrophobicContact CE2-CB 4.07Å; F113-A128 HydrophobicContact CG-CB 4.37Å
114	R	91.8	Very high	89.5	Confident	141 Å²	141	53.6 Å²	53.6	53%	0.532	29%	0.288	S	S	.	.			trans	-112.3	68.1	171.6	-65.4	-171.5	-85.8	147.7	-12.3	108.5	P33 N116 D117	P33-R114 HydrophobicContact CB-CB 4.03Å; P33-R114 HydrophobicContact CB-CG 4.02Å; P33-R114 VanDerWaalsContact CB-NE 3.29Å; P33-R114 PolarHBondContact O-N 3.43Å; R114-N116 PolarHBondContact O-N 3.11Å; R114-N116 VanDerWaalsContact O-N 3.16Å; R114-D117 HydrophobicContact CB-CB 4.08Å; R114-D117 WeakPolarHBondContact CB-OD2 3.49Å; R114-D117 WeakPolarHBondContact CD-OD2 3.31Å; R114-D117 IonicContact CZ-OD2 3.47Å; R114-D117 IonicContact NE-OD2 2.78Å; R114-D117 IonicContact NH1-OD2 3.45Å; R114-D117 PolarHBondContact NH1-OD2 2.97Å; R114-D117 WeakPolarHBondContact O-CA 3.21Å; R114-D117 VanDerWaalsContact O-CB 3.28Å; R114-D117 WeakPolarHBondContact O-CB 3.2Å; R114-D117 PolarHBondContact O-N 2.71Å
115	E	85.6	Confident	89.3	Confident	61 Å²	61	53.6 Å²	53.6	29%	0.285	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-59.2	-28.7	-175.9	-63.7	178.1	-148.7	0	0	113.1	F113 D117 F118 K123 F126 A128	F113-E115 HydrophobicContact CB-CG 4.17Å; E115-D117 PolarHBondContact O-N 3.31Å; E115-F118 WeakPolarHBondContact O-CB 3.49Å; E115-F118 PolarHBondContact O-N 3.3Å; E115-F118 VanDerWaalsContact O-N 3.13Å; E115-K123 WeakPolarHBondContact O-CD 3.15Å; E115-F126 HydrophobicContact CG-CD1 4.37Å; E115-A128 WeakPolarHBondContact OE1-CB 3.4Å
116	N	83.9	Confident	89.2	Confident	126 Å²	126	53.8 Å²	53.8	67%	0.674	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17	174	-68.3	-33.5	0	0	0	113.3	R114 F118 K123	R114-N116 PolarHBondContact O-N 3.11Å; R114-N116 VanDerWaalsContact O-N 3.16Å; N116-F118 VanDerWaalsContact C-N 3.33Å; N116-K123 PolarHBondContact OD1-NZ 2.71Å
117	D	87.1	Confident	89	Confident	65 Å²	65	54.6 Å²	54.6	35%	0.348	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-88.3	-0.4	173.7	-61.7	-9.5	0	0	0	112.1	R114 E115 L119 R433	R114-D117 HydrophobicContact CB-CB 4.08Å; R114-D117 WeakPolarHBondContact CB-OD2 3.49Å; R114-D117 WeakPolarHBondContact CD-OD2 3.31Å; R114-D117 IonicContact CZ-OD2 3.47Å; R114-D117 IonicContact NE-OD2 2.78Å; R114-D117 IonicContact NH1-OD2 3.45Å; R114-D117 PolarHBondContact NH1-OD2 2.97Å; R114-D117 WeakPolarHBondContact O-CA 3.21Å; R114-D117 VanDerWaalsContact O-CB 3.28Å; R114-D117 WeakPolarHBondContact O-CB 3.2Å; R114-D117 PolarHBondContact O-N 2.71Å; E115-D117 PolarHBondContact O-N 3.31Å; D117-L119 WeakPolarHBondContact O-CG 2.9Å; D117-L119 PolarHBondContact O-N 2.77Å; D117-L119 VanDerWaalsContact O-N 3.11Å; D117-R433 PolarHBondContact O-NH2 2.91Å
118	F	87.1	Confident	88.9	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.048	28%	0.278	C	S	.	.			trans	-77.5	95.1	173.6	-74	27.7	0	0	0	108.1	P33 G34 E38 L41 E115 N116 K123 F126	P33-F118 WeakPolarHBondContact O-CE1 3.39Å; G34-F118 WeakPolarHBondContact O-CE1 3.47Å; G34-F118 VanDerWaalsContact O-CZ 3.25Å; G34-F118 WeakPolarHBondContact O-CZ 3.44Å; E38-F118 HydrophobicContact CB-CD1 4.35Å; E38-F118 HydrophobicContact CB-CD2 4.35Å; E38-F118 HydrophobicContact CB-CG 4.24Å; E38-F118 HydrophobicContact CG-CG 4.49Å; L41-F118 HydrophobicContact CD1-CD2 4.07Å; L41-F118 HydrophobicContact CD1-CE2 4.11Å; E115-F118 WeakPolarHBondContact O-CB 3.49Å; E115-F118 PolarHBondContact O-N 3.3Å; E115-F118 VanDerWaalsContact O-N 3.13Å; N116-F118 VanDerWaalsContact C-N 3.33Å; F118-K123 HydrophobicContact CB-CB 4.11Å; F118-K123 HydrophobicContact CD2-CB 4.34Å; F118-F126 HydrophobicContact CE2-CD1 4.24Å; F118-F126 HydrophobicContact CE2-CG 4.26Å
119	L	82.3	Confident	88.9	Confident	38 Å²	38	49.1 Å²	49.1	20%	0.199	26%	0.263	C	S	.	.			trans	-97.8	-24.2	-175.5	-54.6	-175.7	0	0	0	111.9	E38 D117 R433 P435	E38-L119 PolarHBondContact OE1-N 3.41Å; D117-L119 WeakPolarHBondContact O-CG 2.9Å; D117-L119 PolarHBondContact O-N 2.77Å; D117-L119 VanDerWaalsContact O-N 3.11Å; L119-R433 HydrophobicContact CD1-CG 4.03Å; L119-P435 HydrophobicContact CD1-CG 4.48Å; L119-P435 HydrophobicContact CD2-CB 4.32Å; L119-P435 HydrophobicContact CD2-CG 4.42Å
120	A	80.6	Confident	89	Confident	33 Å²	33	49.1 Å²	49.1	27%	0.273	25%	0.245	S	C	.	.	S	Bend	trans	-91.1	-35.2	-173.9	0	0	0	0	0	114.3	E38 W42	E38-A120 HydrophobicContact CG-CB 4.04Å; E38-A120 PolarHBondContact OE1-N 2.89Å; W42-A120 HydrophobicContact CB-CB 3.84Å; W42-A120 HydrophobicContact CG-CB 3.88Å
121	G	77	Confident	89.2	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-115.1	162	-175.3	0	0	0	0	0	113.5	K123	G121-K123 PolarHBondContact O-N 3.18Å; G121-K123 VanDerWaalsContact O-N 3.07Å
122	P	84.2	Confident	89.3	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.032	21%	0.208	C	C	.	.			trans	-70.2	100.7	176.4	28	-34.2	0	0	0	110.6	C45 L98 E124 A125 Y480	C45-P122 HydrophobicContact CB-CG 4.42Å; L98-P122 HydrophobicContact CD1-CB 3.62Å; L98-P122 HydrophobicContact CD1-CG 3.27Å; P122-E124 PolarHBondContact O-N 2.85Å; P122-A125 HydrophobicContact CG-CB 4.31Å; P122-A125 WeakPolarHBondContact O-CB 3.34Å; P122-A125 PolarHBondContact O-N 3.02Å; P122-A125 VanDerWaalsContact O-N 3.08Å; P122-Y480 HydrophobicContact CB-CD1 3.84Å; P122-Y480 HydrophobicContact CB-CE1 3.45Å; P122-Y480 VanDerWaalsContact CB-CE1 3.45Å
123	K	86.7	Confident	89.1	Confident	36 Å²	36	42.6 Å²	42.6	16%	0.157	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-62	-27.1	-177.2	71.3	177.9	-174.3	179.4	0	113.5	E115 N116 F118 G121 A125 F126	E115-K123 WeakPolarHBondContact O-CD 3.15Å; N116-K123 PolarHBondContact OD1-NZ 2.71Å; F118-K123 HydrophobicContact CB-CB 4.11Å; F118-K123 HydrophobicContact CD2-CB 4.34Å; G121-K123 PolarHBondContact O-N 3.18Å; G121-K123 VanDerWaalsContact O-N 3.07Å; K123-A125 PolarHBondContact O-N 2.94Å; K123-A125 VanDerWaalsContact O-N 3.16Å; K123-F126 PolarHBondContact O-N 3.35Å
124	E	88.2	Confident	89.1	Confident	67 Å²	67	51.4 Å²	51.4	31%	0.313	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-68.4	-11.8	178.3	-53.2	78.4	-170.9	0	0	112.9	P122 Y480 I503	P122-E124 PolarHBondContact O-N 2.85Å; E124-Y480 WeakPolarHBondContact CB-OH 3.14Å; E124-Y480 WeakPolarHBondContact OE2-CE1 3.34Å; E124-Y480 PolarHBondContact OE2-OH 3.29Å; E124-I503 HydrophobicContact CB-CG2 4.28Å
125	A	92.7	Very high	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-88	11.4	170.7	0	0	0	0	0	113.1	L41 L98 A100 K101 G102 P122 K123 I502	L41-A125 HydrophobicContact CD2-CB 3.88Å; L98-A125 HydrophobicContact CD1-CB 3.93Å; A100-A125 WeakPolarHBondContact O-CB 3.35Å; K101-A125 CarbonylContact C-O 3.48Å; K101-A125 WeakPolarHBondContact CA-O 3.43Å; G102-A125 PolarHBondContact N-O 2.83Å; P122-A125 HydrophobicContact CG-CB 4.31Å; P122-A125 WeakPolarHBondContact O-CB 3.34Å; P122-A125 PolarHBondContact O-N 3.02Å; P122-A125 VanDerWaalsContact O-N 3.08Å; K123-A125 PolarHBondContact O-N 2.94Å; K123-A125 VanDerWaalsContact O-N 3.16Å; A125-I502 HydrophobicContact CB-CG2 3.52Å
126	F	95.1	Very high	89.8	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.2	176.2	-177.5	-95.5	0	0	0	109.9	F26 D28 S37 L41 G102 G104 F113 E115 F118 K123	F26-F126 HydrophobicContact CE2-CD2 4.11Å; F26-F126 HydrophobicContact CE2-CE2 4.23Å; F26-F126 HydrophobicContact CZ-CD2 4.04Å; D28-F126 HydrophobicContact CB-CE2 4.38Å; S37-F126 WeakPolarHBondContact OG-CE2 3.35Å; L41-F126 HydrophobicContact CD1-CB 4.02Å; G102-F126 WeakPolarHBondContact O-CA 3.33Å; G104-F126 VanDerWaalsContact CA-CZ 3.41Å; F113-F126 AromaticContact CD1-CE1 3.97Å; F113-F126 HydrophobicContact CD1-CE1 3.97Å; F113-F126 AromaticContact CD1-CZ 3.98Å; F113-F126 HydrophobicContact CD1-CZ 3.98Å; F113-F126 HydrophobicContact CD2-CE1 4.27Å; F113-F126 HydrophobicContact CD2-CZ 4.5Å; F113-F126 HydrophobicContact CE1-CE1 4.08Å; F113-F126 AromaticContact CE1-CZ 3.62Å; F113-F126 HydrophobicContact CE1-CZ 3.62Å; F113-F126 HydrophobicContact CE2-CE1 4.36Å; F113-F126 HydrophobicContact CE2-CZ 4.17Å; F113-F126 HydrophobicContact CG-CE1 4.08Å; F113-F126 HydrophobicContact CG-CZ 4.42Å; F113-F126 HydrophobicContact CZ-CE1 4.29Å; F113-F126 AromaticContact CZ-CZ 3.73Å; F113-F126 HydrophobicContact CZ-CZ 3.73Å; E115-F126 HydrophobicContact CG-CD1 4.37Å; F118-F126 HydrophobicContact CE2-CD1 4.24Å; F118-F126 HydrophobicContact CE2-CG 4.26Å; K123-F126 PolarHBondContact O-N 3.35Å
127	M	94.5	Very high	90.4	Very high	22 Å²	22	39.4 Å²	39.4	11%	0.108	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.7	173.2	-176	178.9	72.4	0	0	110.4	G102 G104 F505 D507	G102-M127 PolarHBondContact O-N 2.8Å; G104-M127 PolarHBondContact N-O 2.91Å; M127-F505 HydrophobicContact CB-CB 4.45Å; M127-F505 HydrophobicContact CB-CD1 3.56Å; M127-F505 HydrophobicContact CB-CD2 3.94Å; M127-F505 HydrophobicContact CB-CE1 3.61Å; M127-F505 HydrophobicContact CB-CE2 4.01Å; M127-F505 HydrophobicContact CB-CG 3.74Å; M127-F505 HydrophobicContact CB-CZ 3.85Å; M127-F505 HydrophobicContact CE-CB 3.58Å; M127-F505 HydrophobicContact CE-CD1 3.7Å; M127-F505 HydrophobicContact CE-CG 3.92Å; M127-F505 HydrophobicContact CG-CB 4.47Å; M127-F505 HydrophobicContact CG-CD1 4.36Å; M127-F505 HydrophobicContact CG-CG 4.28Å; M127-F505 HydrophobicContact SD-CB 3.24Å; M127-F505 WeakPolarHBondContact SD-CB 3.27Å; M127-F505 HydrophobicContact SD-CD1 3.98Å; M127-F505 HydrophobicContact SD-CD2 4.33Å; M127-F505 HydrophobicContact SD-CG 3.63Å; M127-D507 HydrophobicContact CE-CB 3.78Å; M127-D507 HydrophobicContact SD-CB 4.17Å
128	A	95.6	Very high	90.9	Very high	17 Å²	17	36.5 Å²	36.5	14%	0.14	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.4	165.8	0	0	0	0	0	110.8	F113 E115 Y130	F113-A128 HydrophobicContact CD2-CB 3.52Å; F113-A128 HydrophobicContact CE2-CB 4.07Å; F113-A128 HydrophobicContact CG-CB 4.37Å; E115-A128 WeakPolarHBondContact OE1-CB 3.4Å; A128-Y130 HydrophobicContact CB-CE1 4.43Å; A128-Y130 HydrophobicContact CB-CE2 3.79Å; A128-Y130 WeakPolarHBondContact CB-OH 3.48Å
129	H	95	Very high	91.4	Very high	15 Å²	15	37 Å²	37	7%	0.069	19%	0.19	C	C	.	.			trans	-125.6	112.9	179	-173.3	88	0	0	0	109.3	G104 L105 G131 S146 F147 D507	G104-H129 WeakPolarHBondContact O-CA 3.42Å; G104-H129 PolarHBondContact O-N 3.13Å; L105-H129 WeakPolarHBondContact CD1-O 3.49Å; H129-G131 VanDerWaalsContact C-N 3.34Å; H129-G131 PolarHBondContact CD2-N 3.49Å; H129-G131 PolarHBondContact O-N 3.47Å; H129-S146 PolarHBondContact NE2-O 2.74Å; H129-S146 PolarHBondContact NE2-OG 2.63Å; H129-F147 HydrophobicContact CB-CD2 3.87Å; H129-F147 HydrophobicContact CB-CE2 4.14Å; H129-F147 AromaticContact CD2-CD2 3.8Å; H129-D507 IonicContact CE1-OD2 3.68Å; H129-D507 IonicContact ND1-OD2 2.73Å; H129-D507 PolarHBondContact ND1-OD2 2.79Å
130	Y	95.8	Very high	92	Very high	60 Å²	60	38.5 Å²	38.5	24%	0.235	20%	0.195	C	C	.	.			trans	-95.2	15.4	-171.8	-58	-77.7	0	0	0	114.1	T106 T108 D112 A128 R134 D135 G136	T106-Y130 HydrophobicContact CG2-CE1 4.43Å; T106-Y130 WeakPolarHBondContact O-CD1 3.33Å; T108-Y130 HydrophobicContact CG2-CD1 3.35Å; T108-Y130 HydrophobicContact CG2-CE1 3.68Å; T108-Y130 HydrophobicContact CG2-CG 3.84Å; D112-Y130 WeakPolarHBondContact OD1-CE1 3.36Å; D112-Y130 VanDerWaalsContact OD1-CZ 3.23Å; D112-Y130 PolarHBondContact OD1-OH 3.35Å; D112-Y130 PolarHBondContact OD2-OH 2.82Å; A128-Y130 HydrophobicContact CB-CE1 4.43Å; A128-Y130 HydrophobicContact CB-CE2 3.79Å; A128-Y130 WeakPolarHBondContact CB-OH 3.48Å; Y130-R134 CarbonylContact O-C 3.5Å; Y130-R134 VanDerWaalsContact O-CA 3.29Å; Y130-R134 WeakPolarHBondContact O-CA 3.44Å; Y130-R134 PolarHBondContact O-N 3.49Å; Y130-D135 PolarHBondContact O-N 3.21Å; Y130-G136 WeakPolarHBondContact O-CA 3.34Å; Y130-G136 PolarHBondContact O-N 3.05Å
131	G	92.3	Very high	92.7	Very high	10 Å²	10	39.6 Å²	39.6	10%	0.103	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-175.6	-179.4	0	0	0	0	0	113.9	H129 E133 R134 N143	H129-G131 VanDerWaalsContact C-N 3.34Å; H129-G131 PolarHBondContact CD2-N 3.49Å; H129-G131 PolarHBondContact O-N 3.47Å; G131-E133 VanDerWaalsContact C-N 3.33Å; G131-E133 PolarHBondContact O-N 2.83Å; G131-R134 PolarHBondContact O-N 3.37Å; G131-N143 WeakPolarHBondContact CA-OD1 3.23Å
132	A	91.2	Very high	93.6	Very high	62 Å²	62	40.8 Å²	40.8	51%	0.512	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.6	-176.5	0	0	0	0	0	112.4	R134 N143	A132-R134 VanDerWaalsContact C-N 3.25Å; A132-R134 PolarHBondContact O-N 3.04Å; A132-N143 PolarHBondContact N-OD1 2.82Å; A132-N143 VanDerWaalsContact N-OD1 3.15Å
133	E	90.7	Very high	94.1	Very high	103 Å²	103	40.6 Å²	40.6	48%	0.481	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.6	179.2	-58.3	-62.5	151.8	0	0	112.8	G131 D135 K140 S142 N143	G131-E133 VanDerWaalsContact C-N 3.33Å; G131-E133 PolarHBondContact O-N 2.83Å; E133-D135 PolarHBondContact O-N 3.21Å; E133-K140 HydrophobicContact CG-CD 4.09Å; E133-S142 WeakPolarHBondContact CG-OG 3.3Å; E133-S142 PolarHBondContact OE1-OG 3.43Å; E133-N143 PolarHBondContact N-OD1 3.41Å; E133-N143 VanDerWaalsContact N-OD1 3.14Å
134	R	93.5	Very high	94.5	Very high	200 Å²	200	38.9 Å²	38.9	76%	0.755	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	25.3	-178.8	-53.8	-176.9	175	-165.9	-3.2	114.7	T108 Y130 G131 A132	T108-R134 WeakPolarHBondContact CG2-O 3.5Å; Y130-R134 CarbonylContact O-C 3.5Å; Y130-R134 VanDerWaalsContact O-CA 3.29Å; Y130-R134 WeakPolarHBondContact O-CA 3.44Å; Y130-R134 PolarHBondContact O-N 3.49Å; G131-R134 PolarHBondContact O-N 3.37Å; A132-R134 VanDerWaalsContact C-N 3.25Å; A132-R134 PolarHBondContact O-N 3.04Å
135	D	96.3	Very high	94.9	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.193	18%	0.184	C	C	.	.	S	Bend	trans	-110	-12.6	175.7	63.1	6.8	0	0	0	113.3	L107 T108 Y130 E133 D137 K140 N143	L107-D135 VanDerWaalsContact CA-O 3.3Å; L107-D135 WeakPolarHBondContact CA-O 3.3Å; T108-D135 PolarHBondContact N-O 3.03Å; Y130-D135 PolarHBondContact O-N 3.21Å; E133-D135 PolarHBondContact O-N 3.21Å; D135-D137 PolarHBondContact O-N 3.02Å; D135-D137 PolarHBondContact OD1-N 3.44Å; D135-D137 VanDerWaalsContact OD1-N 3.08Å; D135-K140 WeakPolarHBondContact OD2-CE 3.47Å; D135-K140 IonicContact OD2-NZ 2.84Å; D135-K140 PolarHBondContact OD2-NZ 3Å; D135-N143 PolarHBondContact OD1-ND2 2.83Å
136	G	96.3	Very high	95	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	20%	0.195	C	C	.	.			trans	66.7	18.6	-179.9	0	0	0	0	0	115	T106 Y130 V138	T106-G136 CarbonylContact C-O 3.58Å; T106-G136 WeakPolarHBondContact O-CA 3.31Å; Y130-G136 WeakPolarHBondContact O-CA 3.34Å; Y130-G136 PolarHBondContact O-N 3.05Å; G136-V138 PolarHBondContact O-N 3.28Å
137	D	97.1	Very high	95.1	Very high	37 Å²	37	37.9 Å²	37.9	20%	0.198	19%	0.194	C	C	.	.			trans	-72.9	108.3	177.8	-174.5	-9.5	0	0	0	110.5	L107 D135 T139 K140 N143	L107-D137 HydrophobicContact CD2-CB 3.79Å; D135-D137 PolarHBondContact O-N 3.02Å; D135-D137 PolarHBondContact OD1-N 3.44Å; D135-D137 VanDerWaalsContact OD1-N 3.08Å; D137-T139 PolarHBondContact O-N 3.27Å; D137-T139 VanDerWaalsContact OD1-CB 3.32Å; D137-T139 WeakPolarHBondContact OD1-CB 3.35Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.32Å; D137-T139 PolarHBondContact OD1-N 3.04Å; D137-T139 PolarHBondContact OD1-OG1 3.3Å; D137-T139 PolarHBondContact OD2-OG1 3.11Å; D137-K140 HydrophobicContact CB-CD 4.09Å; D137-K140 HydrophobicContact CB-CG 4.11Å; D137-K140 PolarHBondContact O-N 3.45Å; D137-N143 PolarHBondContact N-ND2 3.06Å; D137-N143 WeakPolarHBondContact O-CB 3.29Å; D137-N143 PolarHBondContact O-ND2 3.34Å
138	V	97.3	Very high	95.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.024	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.9	179.8	74.4	0	0	0	0	113.2	I29 C30 L105 G136 K140 L144 L185 C188 C192	I29-V138 HydrophobicContact CD1-CG2 4.4Å; C30-V138 VanDerWaalsContact SG-CG1 3.6Å; L105-V138 HydrophobicContact CD2-CB 4.27Å; L105-V138 HydrophobicContact CD2-CG2 4.07Å; G136-V138 PolarHBondContact O-N 3.28Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 3.13Å; V138-L144 HydrophobicContact CG2-CD2 3.77Å; V138-L185 HydrophobicContact CG1-CD1 3.73Å; V138-C188 HydrophobicContact CG1-CB 3.96Å; V138-C188 HydrophobicContact CG2-CB 4.3Å; V138-C192 HydrophobicContact CG2-CB 4.24Å
139	T	96.8	Very high	95.2	Very high	21 Å²	21	36.5 Å²	36.5	13%	0.129	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.4	179.7	72.9	0	0	0	0	113	D137 Q184 N343 N347	D137-T139 PolarHBondContact O-N 3.27Å; D137-T139 VanDerWaalsContact OD1-CB 3.32Å; D137-T139 WeakPolarHBondContact OD1-CB 3.35Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.32Å; D137-T139 PolarHBondContact OD1-N 3.04Å; D137-T139 PolarHBondContact OD1-OG1 3.3Å; D137-T139 PolarHBondContact OD2-OG1 3.11Å; T139-Q184 HydrophobicContact CG2-CG 4.22Å; T139-N343 PolarHBondContact O-ND2 3.17Å; T139-N347 PolarHBondContact O-ND2 3.38Å; T139-N347 VanDerWaalsContact O-ND2 3.09Å
140	K	95.6	Very high	95.2	Very high	71 Å²	71	35.8 Å²	35.8	31%	0.309	18%	0.182	S	C	.	.			trans	-94.5	126.3	179.3	-62.2	-174.9	179.7	-177.6	0	111.4	E133 D135 D137 V138 S142 N143 L144	E133-K140 HydrophobicContact CG-CD 4.09Å; D135-K140 WeakPolarHBondContact OD2-CE 3.47Å; D135-K140 IonicContact OD2-NZ 2.84Å; D135-K140 PolarHBondContact OD2-NZ 3Å; D137-K140 HydrophobicContact CB-CD 4.09Å; D137-K140 HydrophobicContact CB-CG 4.11Å; D137-K140 PolarHBondContact O-N 3.45Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 3.13Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.92Å; K140-N143 HydrophobicContact CB-CB 4.3Å; K140-N143 PolarHBondContact O-N 3.34Å; K140-N143 VanDerWaalsContact O-N 3.15Å; K140-L144 PolarHBondContact O-N 3.32Å; K140-L144 VanDerWaalsContact O-N 3.13Å
141	W	95.1	Very high	95.3	Very high	56 Å²	56	33 Å²	33	21%	0.212	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-42.3	176.9	169.9	85.2	0	0	0	112.5	N143 L144 A145 C261 L262 A264 P265 L340	W141-N143 VanDerWaalsContact C-N 3.26Å; W141-N143 PolarHBondContact O-N 3.39Å; W141-L144 PolarHBondContact O-N 2.73Å; W141-A145 HydrophobicContact CH2-CB 4.19Å; W141-A145 HydrophobicContact CZ2-CB 3.8Å; W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 3.38Å; W141-C261 PolarHBondContact NE1-SG 2.97Å; W141-L262 PolarHBondContact NE1-O 2.93Å; W141-A264 HydrophobicContact CE3-CB 4.26Å; W141-A264 VanDerWaalsContact CH2-CA 3.46Å; W141-A264 HydrophobicContact CH2-CB 3.3Å; W141-A264 HydrophobicContact CZ2-CB 3.69Å; W141-A264 HydrophobicContact CZ3-CB 3.6Å; W141-P265 HydrophobicContact CG-CG 4.31Å; W141-L340 HydrophobicContact CB-CD1 4.32Å; W141-L340 HydrophobicContact CG-CD1 4.42Å
142	S	94.8	Very high	95.5	Very high	27 Å²	27	32.5 Å²	32.5	19%	0.189	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-34.8	-179.1	52.3	0	0	0	0	112.5	E133 K140 S146	E133-S142 WeakPolarHBondContact CG-OG 3.3Å; E133-S142 PolarHBondContact OE1-OG 3.43Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 2.92Å; S142-S146 VanDerWaalsContact O-CB 3.23Å; S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 2.77Å
143	N	95.5	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73.2	-43	175.1	-68.9	-16.1	0	0	0	112	G131 A132 E133 D135 D137 K140 W141 S146 F147	G131-N143 WeakPolarHBondContact CA-OD1 3.23Å; A132-N143 PolarHBondContact N-OD1 2.82Å; A132-N143 VanDerWaalsContact N-OD1 3.15Å; E133-N143 PolarHBondContact N-OD1 3.41Å; E133-N143 VanDerWaalsContact N-OD1 3.14Å; D135-N143 PolarHBondContact OD1-ND2 2.83Å; D137-N143 PolarHBondContact N-ND2 3.06Å; D137-N143 WeakPolarHBondContact O-CB 3.29Å; D137-N143 PolarHBondContact O-ND2 3.34Å; K140-N143 HydrophobicContact CB-CB 4.3Å; K140-N143 PolarHBondContact O-N 3.34Å; K140-N143 VanDerWaalsContact O-N 3.15Å; W141-N143 VanDerWaalsContact C-N 3.26Å; W141-N143 PolarHBondContact O-N 3.39Å; N143-S146 PolarHBondContact O-N 3.46Å; N143-F147 WeakPolarHBondContact O-CB 3.33Å; N143-F147 PolarHBondContact O-N 2.95Å
144	L	96.1	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-46.6	174.7	-68.7	173.9	0	0	0	111.7	V138 K140 W141 F147 A148 L191 C192 I195	V138-L144 HydrophobicContact CG2-CD2 3.77Å; K140-L144 PolarHBondContact O-N 3.32Å; K140-L144 VanDerWaalsContact O-N 3.13Å; W141-L144 PolarHBondContact O-N 2.73Å; L144-F147 PolarHBondContact O-N 3.24Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.47Å; L144-L191 HydrophobicContact CD1-CD2 3.82Å; L144-L191 HydrophobicContact CD1-CG 4.3Å; L144-C192 HydrophobicContact CD2-CB 3.76Å; L144-I195 HydrophobicContact CB-CD1 4.47Å
145	A	95.3	Very high	95.9	Very high	20 Å²	20	19.2 Å²	19.2	17%	0.165	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-44.2	178.7	0	0	0	0	0	111.9	W141 A148 S149 C261	W141-A145 HydrophobicContact CH2-CB 4.19Å; W141-A145 HydrophobicContact CZ2-CB 3.8Å; W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 3.38Å; A145-A148 PolarHBondContact O-N 2.91Å; A145-S149 PolarHBondContact O-N 2.95Å; A145-C261 HydrophobicContact CB-CB 4.14Å
146	S	95.4	Very high	95.7	Very high	33 Å²	33	23.7 Å²	23.7	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-43	176.7	178.7	0	0	0	0	112.1	H129 S142 N143 S149 S150	H129-S146 PolarHBondContact NE2-O 2.74Å; H129-S146 PolarHBondContact NE2-OG 2.63Å; S142-S146 VanDerWaalsContact O-CB 3.23Å; S142-S146 WeakPolarHBondContact O-CB 3.45Å; S142-S146 PolarHBondContact O-N 2.77Å; N143-S146 PolarHBondContact O-N 3.46Å; S146-S149 PolarHBondContact O-N 3.25Å; S146-S150 PolarHBondContact O-N 3.06Å
147	F	96.9	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.7	-169.7	-119.5	0	0	0	111.9	A27 I29 F103 L105 H129 N143 L144 S149 S150 I151	A27-F147 HydrophobicContact CB-CE1 4.15Å; A27-F147 HydrophobicContact CB-CZ 4.03Å; I29-F147 HydrophobicContact CG2-CE1 3.84Å; I29-F147 HydrophobicContact CG2-CZ 4.1Å; F103-F147 HydrophobicContact CB-CE2 3.79Å; F103-F147 HydrophobicContact CB-CZ 3.84Å; L105-F147 HydrophobicContact CB-CD2 4.05Å; L105-F147 HydrophobicContact CB-CE1 4.38Å; L105-F147 HydrophobicContact CB-CE2 3.88Å; L105-F147 HydrophobicContact CB-CG 4.37Å; L105-F147 HydrophobicContact CB-CZ 4.05Å; L105-F147 HydrophobicContact CD2-CB 4.41Å; L105-F147 HydrophobicContact CD2-CD1 4.3Å; L105-F147 HydrophobicContact CD2-CG 4.24Å; H129-F147 HydrophobicContact CB-CD2 3.87Å; H129-F147 HydrophobicContact CB-CE2 4.14Å; H129-F147 AromaticContact CD2-CD2 3.8Å; N143-F147 WeakPolarHBondContact O-CB 3.33Å; N143-F147 PolarHBondContact O-N 2.95Å; L144-F147 PolarHBondContact O-N 3.24Å; F147-S149 VanDerWaalsContact C-N 3.33Å; F147-S149 PolarHBondContact O-N 3.14Å; F147-S150 WeakPolarHBondContact O-CB 3.23Å; F147-S150 PolarHBondContact O-N 2.87Å; F147-I151 HydrophobicContact CD1-CD1 3.85Å; F147-I151 HydrophobicContact CE1-CD1 3.47Å; F147-I151 VanDerWaalsContact CE1-CD1 3.47Å; F147-I151 HydrophobicContact CE2-CD1 4.3Å; F147-I151 HydrophobicContact CG-CD1 4.41Å; F147-I151 HydrophobicContact CZ-CD1 3.73Å; F147-I151 PolarHBondContact O-N 3.38Å
148	A	97.2	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-39.8	175.7	0	0	0	0	0	112.8	L144 A145 G152 I195 N196 M258 C261	L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.47Å; A145-A148 PolarHBondContact O-N 2.91Å; A148-G152 PolarHBondContact O-N 2.92Å; A148-I195 HydrophobicContact CB-CG2 3.58Å; A148-N196 VanDerWaalsContact CA-OD1 3.23Å; A148-N196 WeakPolarHBondContact CA-OD1 3.23Å; A148-M258 HydrophobicContact CB-CE 3.98Å; A148-C261 HydrophobicContact CB-CB 4.29Å
149	S	95.5	Very high	95.6	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-40	175.7	-173.9	0	0	0	0	112.4	A145 S146 F147 G152 R153	A145-S149 PolarHBondContact O-N 2.95Å; S146-S149 PolarHBondContact O-N 3.25Å; F147-S149 VanDerWaalsContact C-N 3.33Å; F147-S149 PolarHBondContact O-N 3.14Å; S149-G152 PolarHBondContact O-N 3.32Å; S149-R153 WeakPolarHBondContact O-CB 3.48Å; S149-R153 WeakPolarHBondContact O-CG 3.25Å; S149-R153 PolarHBondContact O-N 3.48Å; S149-R153 PolarHBondContact O-NE 3.38Å
150	S	95.3	Very high	95.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-49.2	174.9	-173.8	0	0	0	0	112.2	S146 F147 R153 S154 D507	S146-S150 PolarHBondContact O-N 3.06Å; F147-S150 WeakPolarHBondContact O-CB 3.23Å; F147-S150 PolarHBondContact O-N 2.87Å; S150-R153 PolarHBondContact O-N 3.35Å; S150-S154 WeakPolarHBondContact O-CB 3.43Å; S150-S154 PolarHBondContact O-N 3.45Å; S150-S154 VanDerWaalsContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 2.68Å; S150-D507 WeakPolarHBondContact CB-OD2 3.44Å; S150-D507 PolarHBondContact OG-OD2 3.47Å
151	I	97.3	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-45.9	176.6	-71.7	172	0	0	0	110.4	A27 F103 F147 R153 S154 T155 V160 N196 M258	A27-I151 HydrophobicContact CB-CD1 4.22Å; F103-I151 HydrophobicContact CB-CD1 4.29Å; F103-I151 HydrophobicContact CB-CG1 4.11Å; F103-I151 HydrophobicContact CD1-CG1 4.11Å; F103-I151 HydrophobicContact CD2-CD1 4.42Å; F103-I151 HydrophobicContact CD2-CG1 3.85Å; F103-I151 HydrophobicContact CE2-CG1 4.32Å; F103-I151 HydrophobicContact CG-CD1 4.39Å; F103-I151 HydrophobicContact CG-CG1 3.75Å; F147-I151 HydrophobicContact CD1-CD1 3.85Å; F147-I151 HydrophobicContact CE1-CD1 3.47Å; F147-I151 VanDerWaalsContact CE1-CD1 3.47Å; F147-I151 HydrophobicContact CE2-CD1 4.3Å; F147-I151 HydrophobicContact CG-CD1 4.41Å; F147-I151 HydrophobicContact CZ-CD1 3.73Å; F147-I151 PolarHBondContact O-N 3.38Å; I151-R153 PolarHBondContact O-N 2.82Å; I151-S154 PolarHBondContact O-N 2.88Å; I151-S154 VanDerWaalsContact O-N 3.15Å; I151-T155 HydrophobicContact CG2-CG2 4.18Å; I151-T155 WeakPolarHBondContact O-CB 3.47Å; I151-T155 WeakPolarHBondContact O-CG2 3.4Å; I151-T155 PolarHBondContact O-N 3.49Å; I151-T155 PolarHBondContact O-OG1 3.11Å; I151-V160 HydrophobicContact CD1-CG1 4.18Å; I151-V160 HydrophobicContact CG1-CG1 4.47Å; I151-V160 HydrophobicContact CG2-CG1 3.93Å; I151-N196 HydrophobicContact CD1-CB 4.05Å; I151-M258 HydrophobicContact CG2-CE 4.33Å; I151-M258 HydrophobicContact CG2-SD 3.97Å
152	G	96	Very high	96.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-47.9	178.8	0	0	0	0	0	112.1	A148 S149 S154 T155 N156 N157 F320	A148-G152 PolarHBondContact O-N 2.92Å; S149-G152 PolarHBondContact O-N 3.32Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.36Å; G152-T155 PolarHBondContact O-N 3.46Å; G152-N156 CarbonylContact O-C 3.52Å; G152-N156 WeakPolarHBondContact O-CA 3.21Å; G152-N156 PolarHBondContact O-N 3.06Å; G152-N157 PolarHBondContact O-N 3.29Å; G152-F320 VanDerWaalsContact C-CD1 3.46Å; G152-F320 WeakPolarHBondContact O-CD1 3.33Å
153	R	93.6	Very high	96.3	Very high	56 Å²	56	17 Å²	17	21%	0.211	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-38.6	176	-75.9	-176.9	-66.1	157.2	9.5	112.4	S149 S150 I151 D313 F320 P506 D507	S149-R153 WeakPolarHBondContact O-CB 3.48Å; S149-R153 WeakPolarHBondContact O-CG 3.25Å; S149-R153 PolarHBondContact O-N 3.48Å; S149-R153 PolarHBondContact O-NE 3.38Å; S150-R153 PolarHBondContact O-N 3.35Å; I151-R153 PolarHBondContact O-N 2.82Å; R153-D313 IonicContact NH1-OD1 2.62Å; R153-D313 PolarHBondContact NH1-OD1 3Å; R153-F320 HydrophobicContact CB-CG 4.46Å; R153-F320 HydrophobicContact CG-CB 3.82Å; R153-F320 HydrophobicContact CG-CD1 4.28Å; R153-F320 HydrophobicContact CG-CD2 3.53Å; R153-F320 HydrophobicContact CG-CE2 4.13Å; R153-F320 HydrophobicContact CG-CG 3.61Å; R153-P506 HydrophobicContact CB-CB 4.2Å; R153-P506 HydrophobicContact CB-CG 4.02Å; R153-D507 IonicContact CZ-OD1 3.21Å; R153-D507 IonicContact NH1-OD1 3.13Å; R153-D507 VanDerWaalsContact NH2-CG 3.27Å; R153-D507 IonicContact NH2-OD1 3.66Å; R153-D507 PolarHBondContact NH2-OD1 3.12Å; R153-D507 IonicContact NH2-OD2 3.85Å; R153-D507 PolarHBondContact NH2-OD2 3.02Å
154	S	94.4	Very high	96.4	Very high	20 Å²	20	17 Å²	17	14%	0.14	10%	0.098	C	C	.	.	H	α-helix	trans	-78.8	-21.3	-177	-58.7	0	0	0	0	114.6	F103 S150 I151 G152 P506	F103-S154 WeakPolarHBondContact CE1-OG 3.47Å; S150-S154 WeakPolarHBondContact O-CB 3.43Å; S150-S154 PolarHBondContact O-N 3.45Å; S150-S154 VanDerWaalsContact O-N 3.08Å; S150-S154 PolarHBondContact O-OG 2.68Å; I151-S154 PolarHBondContact O-N 2.88Å; I151-S154 VanDerWaalsContact O-N 3.15Å; G152-S154 VanDerWaalsContact C-N 3.32Å; G152-S154 PolarHBondContact O-N 3.36Å; S154-P506 WeakPolarHBondContact OG-CD 3.41Å; S154-P506 WeakPolarHBondContact OG-CG 3.42Å
155	T	95.3	Very high	96.5	Very high	11 Å²	11	17 Å²	17	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-115.4	6.1	-175.9	62.7	0	0	0	0	112.7	Y25 I151 G152 N157 A158 G159	Y25-T155 HydrophobicContact CD1-CG2 3.57Å; Y25-T155 HydrophobicContact CD2-CG2 4.36Å; Y25-T155 HydrophobicContact CE1-CG2 3.91Å; Y25-T155 HydrophobicContact CG-CG2 3.79Å; I151-T155 HydrophobicContact CG2-CG2 4.18Å; I151-T155 WeakPolarHBondContact O-CB 3.47Å; I151-T155 WeakPolarHBondContact O-CG2 3.4Å; I151-T155 PolarHBondContact O-N 3.49Å; I151-T155 PolarHBondContact O-OG1 3.11Å; G152-T155 PolarHBondContact O-N 3.46Å; T155-N157 VanDerWaalsContact C-N 3.28Å; T155-N157 PolarHBondContact O-N 3.01Å; T155-A158 WeakPolarHBondContact O-CB 3.36Å; T155-A158 PolarHBondContact O-N 3.19Å; T155-G159 PolarHBondContact OG1-N 3.19Å; T155-G159 VanDerWaalsContact OG1-N 3.08Å
156	N	92.9	Very high	96.6	Very high	130 Å²	130	17.9 Å²	17.9	70%	0.695	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	48.1	-170.8	-168.4	37.9	0	0	0	112.2	G152 A158	G152-N156 CarbonylContact O-C 3.52Å; G152-N156 WeakPolarHBondContact O-CA 3.21Å; G152-N156 PolarHBondContact O-N 3.06Å; N156-A158 PolarHBondContact O-N 3.14Å
157	N	94.7	Very high	96.4	Very high	38 Å²	38	16.3 Å²	16.3	20%	0.203	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	1.2	-172.7	-70.5	-40.1	0	0	0	115.9	G152 T155 G159 T257 M258 F320 G321	G152-N157 PolarHBondContact O-N 3.29Å; T155-N157 VanDerWaalsContact C-N 3.28Å; T155-N157 PolarHBondContact O-N 3.01Å; N157-G159 PolarHBondContact O-N 3.37Å; N157-T257 HydrophobicContact CB-CG2 4.31Å; N157-T257 WeakPolarHBondContact O-CB 3.48Å; N157-M258 VanDerWaalsContact O-CG 3.32Å; N157-M258 WeakPolarHBondContact O-CG 3.48Å; N157-M258 PolarHBondContact O-N 3.39Å; N157-F320 WeakPolarHBondContact ND2-CD1 3.25Å; N157-F320 WeakPolarHBondContact OD1-CA 3.28Å; N157-F320 WeakPolarHBondContact OD1-CD1 3.42Å; N157-G321 PolarHBondContact OD1-N 3.01Å
158	A	96.7	Very high	96.1	Very high	28 Å²	28	18.2 Å²	18.2	23%	0.231	11%	0.109	C	C	.	.			trans	-58.1	-37.7	178.8	0	0	0	0	0	111.8	T155 N156 R198 M258	T155-A158 WeakPolarHBondContact O-CB 3.36Å; T155-A158 PolarHBondContact O-N 3.19Å; N156-A158 PolarHBondContact O-N 3.14Å; A158-R198 WeakPolarHBondContact O-CA 3.28Å; A158-R198 WeakPolarHBondContact O-CB 3.47Å; A158-M258 PolarHBondContact O-N 2.79Å
159	G	98.1	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.			trans	93.1	176	-174.4	0	0	0	0	0	113.2	T155 N157 N196 R198	T155-G159 PolarHBondContact OG1-N 3.19Å; T155-G159 VanDerWaalsContact OG1-N 3.08Å; N157-G159 PolarHBondContact O-N 3.37Å; G159-N196 VanDerWaalsContact CA-O 3.32Å; G159-N196 WeakPolarHBondContact CA-O 3.36Å; G159-R198 PolarHBondContact O-NE 2.82Å; G159-R198 VanDerWaalsContact O-NE 3.11Å; G159-R198 PolarHBondContact O-NH2 2.91Å
160	V	98.8	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.5	177.8	-62.5	0	0	0	0	111.4	A27 F103 I151 I162 L163 N196 L197 R198	A27-V160 HydrophobicContact CB-CG1 4.18Å; A27-V160 HydrophobicContact CB-CG2 4.11Å; F103-V160 HydrophobicContact CD2-CG1 4.03Å; F103-V160 HydrophobicContact CE2-CG1 4.24Å; I151-V160 HydrophobicContact CD1-CG1 4.18Å; I151-V160 HydrophobicContact CG1-CG1 4.47Å; I151-V160 HydrophobicContact CG2-CG1 3.93Å; V160-I162 WeakPolarHBondContact CG2-O 3.5Å; V160-L163 HydrophobicContact CG2-CB 4.22Å; V160-N196 PolarHBondContact N-O 3.28Å; V160-L197 HydrophobicContact CG2-CD2 4.11Å; V160-R198 WeakPolarHBondContact O-CG 3.37Å; V160-R198 PolarHBondContact O-N 3.37Å
161	H	98.9	Very high	95.4	Very high	10 Å²	10	28 Å²	28	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-37.2	174.4	-62.2	92.8	0	0	0	111.6	A17 A18 I23 L24 Y25 R198 G201 H202	A17-H161 HydrophobicContact CB-CB 3.85Å; A17-H161 PolarHBondContact O-CD2 3.25Å; A18-H161 WeakPolarHBondContact CB-NE2 3.48Å; I23-H161 PolarHBondContact O-CE1 3.17Å; L24-H161 HydrophobicContact CD1-CB 3.83Å; Y25-H161 AromaticContact CD2-CE1 3.93Å; Y25-H161 PolarHBondContact N-ND1 3.27Å; Y25-H161 VanDerWaalsContact N-ND1 3.2Å; Y25-H161 WeakPolarHBondContact O-CB 3.35Å; Y25-H161 PolarHBondContact O-N 2.98Å; Y25-H161 PolarHBondContact O-ND1 3.32Å; H161-R198 PolarHBondContact CE1-NH1 2.99Å; H161-R198 VanDerWaalsContact CE1-NH1 3.25Å; H161-R198 PolarHBondContact CE1-NH2 2.82Å; H161-R198 VanDerWaalsContact NE2-CZ 3.25Å; H161-R198 PolarHBondContact NE2-NH1 3.29Å; H161-G201 CarbonylContact O-C 3.54Å; H161-G201 WeakPolarHBondContact O-CA 3.43Å; H161-H202 PolarHBondContact O-N 3.06Å
162	I	98.8	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.1	179.4	70.6	-178.2	0	0	0	109.6	F14 A17 F26 A27 T40 V160 M164 H202	F14-I162 HydrophobicContact CB-CD1 4.13Å; F14-I162 HydrophobicContact CB-CG2 4.23Å; F14-I162 HydrophobicContact CD1-CB 4.39Å; F14-I162 HydrophobicContact CD1-CG2 4.18Å; F14-I162 WeakPolarHBondContact O-CG2 3.15Å; A17-I162 HydrophobicContact CB-CG2 3.69Å; F26-I162 CarbonylContact C-O 3.44Å; F26-I162 VanDerWaalsContact CA-O 3.27Å; F26-I162 WeakPolarHBondContact CA-O 3.43Å; F26-I162 HydrophobicContact CB-CD1 3.65Å; F26-I162 HydrophobicContact CB-CG1 3.23Å; F26-I162 HydrophobicContact CG-CD1 4.45Å; F26-I162 HydrophobicContact CG-CG1 4.44Å; A27-I162 PolarHBondContact N-O 3.14Å; T40-I162 HydrophobicContact CG2-CD1 3.93Å; V160-I162 WeakPolarHBondContact CG2-O 3.5Å; I162-M164 HydrophobicContact CD1-CE 4.42Å; I162-M164 HydrophobicContact CD1-SD 4.23Å; I162-H202 WeakPolarHBondContact CA-O 3.42Å; I162-H202 HydrophobicContact CG2-CB 4.33Å
163	L	98.9	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.4	166.2	-167.2	142.2	0	0	0	108.3	A27 I29 V160 A193 N196 L197 H202 F203 L204	A27-L163 HydrophobicContact CB-CB 4.45Å; A27-L163 HydrophobicContact CB-CD1 3.69Å; A27-L163 HydrophobicContact CB-CG 3.87Å; A27-L163 WeakPolarHBondContact O-CA 3.35Å; I29-L163 HydrophobicContact CD1-CD2 3.79Å; I29-L163 HydrophobicContact CG1-CD2 4.03Å; V160-L163 HydrophobicContact CG2-CB 4.22Å; L163-A193 HydrophobicContact CD2-CB 4.02Å; L163-N196 HydrophobicContact CD1-CB 4.03Å; L163-L197 HydrophobicContact CB-CD2 3.97Å; L163-L197 HydrophobicContact CB-CG 4.16Å; L163-H202 PolarHBondContact N-O 3.38Å; L163-F203 HydrophobicContact CB-CD2 4.29Å; L163-F203 HydrophobicContact CD2-CD2 3.72Å; L163-F203 HydrophobicContact CD2-CE2 3.49Å; L163-F203 VanDerWaalsContact CD2-CE2 3.49Å; L163-F203 WeakPolarHBondContact O-CA 3.36Å; L163-F203 WeakPolarHBondContact O-CD2 3.35Å; L163-L204 PolarHBondContact O-N 3.45Å
164	M	98.8	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.3	-179.7	-53.6	170.2	-65.8	0	0	109.2	M3 F26 A27 D28 I29 F36 I162 L204	M3-M164 HydrophobicContact CE-SD 4.24Å; M3-M164 HydrophobicContact CG-SD 4.1Å; M3-M164 HydrophobicContact SD-CG 4.38Å; M3-M164 HydrophobicContact SD-SD 3.61Å; M3-M164 VanDerWaalsContact SD-SD 3.61Å; F26-M164 HydrophobicContact CD2-CE 3.68Å; F26-M164 HydrophobicContact CE2-CE 4.16Å; A27-M164 PolarHBondContact O-N 2.88Å; D28-M164 WeakPolarHBondContact CA-O 3.1Å; D28-M164 HydrophobicContact CB-CE 4.17Å; I29-M164 PolarHBondContact N-O 2.63Å; F36-M164 HydrophobicContact CB-CE 4.09Å; F36-M164 HydrophobicContact CB-SD 4.11Å; F36-M164 HydrophobicContact CD2-CB 3.92Å; F36-M164 HydrophobicContact CD2-SD 4.42Å; I162-M164 HydrophobicContact CD1-CE 4.42Å; I162-M164 HydrophobicContact CD1-SD 4.23Å; M164-L204 CarbonylContact C-O 3.29Å; M164-L204 VanDerWaalsContact CA-O 3.32Å; M164-L204 WeakPolarHBondContact CA-O 3.08Å
165	A	98.5	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	125.9	179.5	0	0	0	0	0	111.2	I29 Q189 F203 L204 T205 K206	I29-A165 HydrophobicContact CD1-CB 4.02Å; I29-A165 HydrophobicContact CG1-CB 3.49Å; I29-A165 VanDerWaalsContact CG1-CB 3.49Å; I29-A165 VanDerWaalsContact O-CA 3.31Å; I29-A165 WeakPolarHBondContact O-CA 3.46Å; A165-Q189 HydrophobicContact CB-CB 4.03Å; A165-Q189 HydrophobicContact CB-CG 3.83Å; A165-Q189 VanDerWaalsContact CB-OE1 3.23Å; A165-F203 HydrophobicContact CB-CE2 4.29Å; A165-L204 PolarHBondContact N-O 2.94Å; A165-T205 CarbonylContact O-C 3.4Å; A165-T205 WeakPolarHBondContact O-CA 3.19Å; A165-K206 PolarHBondContact O-N 2.93Å
166	D	95.9	Very high	94.3	Very high	39 Å²	39	50.7 Å²	50.7	21%	0.209	28%	0.28	C	S	.	.			trans	-119	26	-177.6	-154.5	54.3	0	0	0	112.4	I29 C30 F36 K206 Y245	I29-D166 PolarHBondContact O-N 2.84Å; C30-D166 CarbonylContact O-C 3.59Å; F36-D166 HydrophobicContact CD2-CB 4.3Å; F36-D166 HydrophobicContact CE2-CB 3.88Å; F36-D166 HydrophobicContact CZ-CB 4.13Å; F36-D166 VanDerWaalsContact CZ-OD1 3.29Å; F36-D166 WeakPolarHBondContact CZ-OD1 3.4Å; D166-K206 WeakPolarHBondContact O-CE 2.9Å; D166-K206 PolarHBondContact O-NZ 2.7Å; D166-K206 WeakPolarHBondContact OD1-CE 3.5Å; D166-K206 IonicContact OD1-NZ 2.71Å; D166-K206 PolarHBondContact OD1-NZ 3.01Å; D166-K206 IonicContact OD2-NZ 2.85Å; D166-K206 PolarHBondContact OD2-NZ 3.16Å; D166-Y245 WeakPolarHBondContact OD1-CE1 3.42Å; D166-Y245 PolarHBondContact OD1-OH 3.41Å
167	G	91.9	Very high	94.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	27%	0.267	C	S	.	.			trans	-59.3	137.6	-169.4	0	0	0	0	0	114.8	C30 Q189	C30-G167 VanDerWaalsContact CB-CA 3.41Å; C30-G167 PolarHBondContact O-N 2.65Å; G167-Q189 VanDerWaalsContact CA-OE1 3.3Å
168	G	91	Very high	94.6	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	26%	0.264	S	S	.	.			trans	-173	163.8	174.4	0	0	0	0	0	110.2
169	F	91.7	Very high	94.6	Very high	90 Å²	90	47 Å²	47	40%	0.395	26%	0.255	S	S	.	.			trans	-144.2	167.9	176.8	50.9	-91.4	0	0	0	109.3	V171 M181 L185	F169-V171 HydrophobicContact CD2-CG1 3.83Å; F169-V171 HydrophobicContact CE2-CG1 3.5Å; F169-V171 HydrophobicContact CZ-CG1 4.37Å; F169-V171 PolarHBondContact O-N 3.42Å; F169-M181 HydrophobicContact CE2-CB 3.85Å; F169-M181 HydrophobicContact CE2-CE 4.09Å; F169-M181 HydrophobicContact CZ-CB 3.66Å; F169-M181 WeakPolarHBondContact CZ-O 3.14Å; F169-L185 HydrophobicContact CD1-CD2 4.29Å; F169-L185 HydrophobicContact CE1-CD2 4.4Å
170	D	90.2	Very high	94.5	Very high	122 Å²	122	50.2 Å²	50.2	65%	0.652	27%	0.274	S	S	*	.			trans	-65.2	124.6	179.9	-175.3	23.6	0	0	0	111	S172	D170-S172 VanDerWaalsContact CG-OG 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.29Å; D170-S172 PolarHBondContact OD1-N 3.12Å; D170-S172 PolarHBondContact OD1-OG 3.17Å; D170-S172 PolarHBondContact OD2-OG 2.96Å
171	V	90.4	Very high	94.3	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.024	29%	0.292	C	S	.	.			trans	-125.1	23.1	177.1	-66.7	0	0	0	0	110.9	F169 S173 Q174 Y175 Q178 M181	F169-V171 HydrophobicContact CD2-CG1 3.83Å; F169-V171 HydrophobicContact CE2-CG1 3.5Å; F169-V171 HydrophobicContact CZ-CG1 4.37Å; F169-V171 PolarHBondContact O-N 3.42Å; V171-S173 PolarHBondContact O-N 3.41Å; V171-Q174 CarbonylContact O-C 3.59Å; V171-Q174 VanDerWaalsContact O-C 3.29Å; V171-Q174 PolarHBondContact O-N 3.27Å; V171-Y175 HydrophobicContact CG2-CD1 4.05Å; V171-Y175 HydrophobicContact CG2-CE1 4.49Å; V171-Y175 PolarHBondContact O-N 3.09Å; V171-Q178 HydrophobicContact CB-CG 4.5Å; V171-Q178 HydrophobicContact CG1-CB 4.46Å; V171-Q178 HydrophobicContact CG1-CG 4.19Å; V171-Q178 HydrophobicContact CG2-CB 4.05Å; V171-Q178 HydrophobicContact CG2-CG 3.83Å; V171-M181 HydrophobicContact CB-SD 4.46Å; V171-M181 HydrophobicContact CG1-CE 4.3Å; V171-M181 HydrophobicContact CG1-SD 3.92Å
172	S	89.1	Confident	94.2	Very high	61 Å²	61	53.4 Å²	53.4	43%	0.427	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.3	-175.9	54.2	0	0	0	0	114.9	D170 Y175	D170-S172 VanDerWaalsContact CG-OG 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.29Å; D170-S172 PolarHBondContact OD1-N 3.12Å; D170-S172 PolarHBondContact OD1-OG 3.17Å; D170-S172 PolarHBondContact OD2-OG 2.96Å; S172-Y175 WeakPolarHBondContact O-CE2 3.16Å
173	S	87.6	Confident	94.1	Very high	99 Å²	99	54.1 Å²	54.1	69%	0.692	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.8	174	57.6	0	0	0	0	114.2	V171	V171-S173 PolarHBondContact O-N 3.41Å
174	Q	91.5	Very high	94.1	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	30%	0.295	S	S	.	.			trans	-150.9	56.2	-168.4	-62.2	-176.6	-3	0	0	112.6	V171 N176 L177 M181	V171-Q174 CarbonylContact O-C 3.59Å; V171-Q174 VanDerWaalsContact O-C 3.29Å; V171-Q174 PolarHBondContact O-N 3.27Å; Q174-N176 PolarHBondContact O-N 2.82Å; Q174-N176 VanDerWaalsContact O-N 3.12Å; Q174-L177 HydrophobicContact CB-CB 4.21Å; Q174-L177 HydrophobicContact CB-CD1 4.34Å; Q174-L177 PolarHBondContact O-N 2.89Å; Q174-M181 HydrophobicContact CB-SD 4.29Å
175	Y	92.1	Very high	94	Very high	146 Å²	146	55.7 Å²	55.7	57%	0.573	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-51	-39.7	-178.6	-67.6	-72.3	0	0	0	113.8	V171 S172 L177 Q178	V171-Y175 HydrophobicContact CG2-CD1 4.05Å; V171-Y175 HydrophobicContact CG2-CE1 4.49Å; V171-Y175 PolarHBondContact O-N 3.09Å; S172-Y175 WeakPolarHBondContact O-CE2 3.16Å; Y175-L177 PolarHBondContact O-N 2.82Å; Y175-Q178 VanDerWaalsContact O-CB 3.23Å; Y175-Q178 WeakPolarHBondContact O-CB 3.01Å; Y175-Q178 PolarHBondContact O-N 3.18Å
176	N	94.8	Very high	94	Very high	159 Å²	159	55.7 Å²	55.7	85%	0.85	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69.4	-13.7	-179.1	-63.6	3.8	0	0	0	113.7	Q174	Q174-N176 PolarHBondContact O-N 2.82Å; Q174-N176 VanDerWaalsContact O-N 3.12Å
177	L	95.3	Very high	94.2	Very high	82 Å²	82	53.9 Å²	53.9	43%	0.429	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-105	10.5	177.7	-62.1	178.4	0	0	0	112.3	Q174 Y175 E179 V180 M181	Q174-L177 HydrophobicContact CB-CB 4.21Å; Q174-L177 HydrophobicContact CB-CD1 4.34Å; Q174-L177 PolarHBondContact O-N 2.89Å; Y175-L177 PolarHBondContact O-N 2.82Å; L177-E179 VanDerWaalsContact C-N 3.28Å; L177-E179 PolarHBondContact O-N 2.81Å; L177-V180 PolarHBondContact O-N 2.99Å; L177-V180 VanDerWaalsContact O-N 3.1Å; L177-M181 HydrophobicContact CB-CG 4.47Å; L177-M181 WeakPolarHBondContact O-CG 3.43Å; L177-M181 PolarHBondContact O-N 3.24Å
178	Q	96.9	Very high	94.5	Very high	28 Å²	28	53.8 Å²	53.8	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-39.8	-175.8	-176.7	171.9	41.8	0	0	113	V171 Y175 S182 F208	V171-Q178 HydrophobicContact CB-CG 4.5Å; V171-Q178 HydrophobicContact CG1-CB 4.46Å; V171-Q178 HydrophobicContact CG1-CG 4.19Å; V171-Q178 HydrophobicContact CG2-CB 4.05Å; V171-Q178 HydrophobicContact CG2-CG 3.83Å; Y175-Q178 VanDerWaalsContact O-CB 3.23Å; Y175-Q178 WeakPolarHBondContact O-CB 3.01Å; Y175-Q178 PolarHBondContact O-N 3.18Å; Q178-S182 VanDerWaalsContact O-CB 3.23Å; Q178-S182 WeakPolarHBondContact O-CB 3.5Å; Q178-S182 PolarHBondContact O-N 3.21Å; Q178-S182 PolarHBondContact O-OG 2.92Å; Q178-F208 VanDerWaalsContact CD-CE1 3.45Å; Q178-F208 VanDerWaalsContact CD-CG 3.43Å; Q178-F208 HydrophobicContact CG-CB 4.18Å; Q178-F208 HydrophobicContact CG-CD1 4.09Å; Q178-F208 HydrophobicContact CG-CD2 3.48Å; Q178-F208 VanDerWaalsContact CG-CD2 3.48Å; Q178-F208 HydrophobicContact CG-CE1 4.37Å; Q178-F208 HydrophobicContact CG-CE2 3.81Å; Q178-F208 HydrophobicContact CG-CG 3.63Å; Q178-F208 HydrophobicContact CG-CZ 4.25Å
179	E	97.4	Very high	94.9	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.047	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-53.6	174.7	177	-179.9	178.4	0	0	111.4	L177 M181 S182 K183 Y186 D209 T210 F211 T212 T215	L177-E179 VanDerWaalsContact C-N 3.28Å; L177-E179 PolarHBondContact O-N 2.81Å; E179-M181 VanDerWaalsContact C-N 3.29Å; E179-M181 PolarHBondContact O-N 2.92Å; E179-S182 PolarHBondContact O-N 2.86Å; E179-K183 PolarHBondContact O-N 3.08Å; E179-K183 VanDerWaalsContact O-N 3.08Å; E179-Y186 HydrophobicContact CG-CE2 4.28Å; E179-D209 HydrophobicContact CB-CB 4.21Å; E179-D209 VanDerWaalsContact CD-C 3.42Å; E179-D209 WeakPolarHBondContact CG-O 3.44Å; E179-D209 VanDerWaalsContact OE2-C 3.27Å; E179-D209 WeakPolarHBondContact OE2-CB 3.4Å; E179-T210 PolarHBondContact OE2-N 3.3Å; E179-F211 PolarHBondContact OE1-N 2.79Å; E179-F211 VanDerWaalsContact OE1-N 3.13Å; E179-F211 PolarHBondContact OE2-N 2.95Å; E179-T212 HydrophobicContact CG-CG2 4.17Å; E179-T212 VanDerWaalsContact OE1-CB 3.31Å; E179-T212 WeakPolarHBondContact OE1-CB 3.45Å; E179-T212 WeakPolarHBondContact OE1-CG2 3.44Å; E179-T212 PolarHBondContact OE1-N 3.02Å; E179-T212 PolarHBondContact OE1-OG1 3.33Å; E179-T212 PolarHBondContact OE2-N 2.95Å; E179-T215 WeakPolarHBondContact OE1-CB 3.48Å; E179-T215 PolarHBondContact OE1-OG1 3.1Å
180	V	96	Very high	95.2	Very high	67 Å²	67	47.6 Å²	47.6	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-42.6	-178.1	-180	0	0	0	0	110.8	L177 S182 K183 T212	L177-V180 PolarHBondContact O-N 2.99Å; L177-V180 VanDerWaalsContact O-N 3.1Å; V180-S182 VanDerWaalsContact C-N 3.3Å; V180-S182 PolarHBondContact O-N 3.25Å; V180-K183 WeakPolarHBondContact O-CD 3.35Å; V180-K183 VanDerWaalsContact O-CG 3.23Å; V180-K183 WeakPolarHBondContact O-CG 3.44Å; V180-T212 HydrophobicContact CG2-CG2 4.06Å
181	M	95.2	Very high	95.6	Very high	75 Å²	75	41.9 Å²	41.9	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-67.6	-32.5	178.2	-62.5	176.6	77.5	0	0	111.9	F169 V171 Q174 L177 E179	F169-M181 HydrophobicContact CE2-CB 3.85Å; F169-M181 HydrophobicContact CE2-CE 4.09Å; F169-M181 HydrophobicContact CZ-CB 3.66Å; F169-M181 WeakPolarHBondContact CZ-O 3.14Å; V171-M181 HydrophobicContact CB-SD 4.46Å; V171-M181 HydrophobicContact CG1-CE 4.3Å; V171-M181 HydrophobicContact CG1-SD 3.92Å; Q174-M181 HydrophobicContact CB-SD 4.29Å; L177-M181 HydrophobicContact CB-CG 4.47Å; L177-M181 WeakPolarHBondContact O-CG 3.43Å; L177-M181 PolarHBondContact O-N 3.24Å; E179-M181 VanDerWaalsContact C-N 3.29Å; E179-M181 PolarHBondContact O-N 2.92Å
182	S	96.6	Very high	96	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-87.6	-7.2	-175.2	-55.6	0	0	0	0	114.1	Q178 E179 V180 Q184 L185 Y186	Q178-S182 VanDerWaalsContact O-CB 3.23Å; Q178-S182 WeakPolarHBondContact O-CB 3.5Å; Q178-S182 PolarHBondContact O-N 3.21Å; Q178-S182 PolarHBondContact O-OG 2.92Å; E179-S182 PolarHBondContact O-N 2.86Å; V180-S182 VanDerWaalsContact C-N 3.3Å; V180-S182 PolarHBondContact O-N 3.25Å; S182-Q184 VanDerWaalsContact C-N 3.32Å; S182-Q184 PolarHBondContact O-N 2.71Å; S182-Q184 VanDerWaalsContact O-N 3.16Å; S182-L185 WeakPolarHBondContact O-CA 3.37Å; S182-L185 VanDerWaalsContact O-CB 3.27Å; S182-L185 WeakPolarHBondContact O-CB 2.78Å; S182-L185 PolarHBondContact O-N 3.35Å; S182-Y186 PolarHBondContact O-N 3.4Å
183	K	97.3	Very high	96.4	Very high	16 Å²	16	38.8 Å²	38.8	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-50.3	-43.7	-173.2	71.3	-176	-75.2	-172.2	0	115	E179 V180 L185 Y186 L187 F214 D363 V364	E179-K183 PolarHBondContact O-N 3.08Å; E179-K183 VanDerWaalsContact O-N 3.08Å; V180-K183 WeakPolarHBondContact O-CD 3.35Å; V180-K183 VanDerWaalsContact O-CG 3.23Å; V180-K183 WeakPolarHBondContact O-CG 3.44Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.1Å; K183-Y186 PolarHBondContact O-N 3.24Å; K183-L187 PolarHBondContact O-N 3.15Å; K183-L187 VanDerWaalsContact O-N 3.12Å; K183-F214 HydrophobicContact CB-CD1 3.74Å; K183-F214 HydrophobicContact CB-CE1 3.79Å; K183-F214 HydrophobicContact CG-CE1 4.41Å; K183-F214 WeakPolarHBondContact O-CE1 3.49Å; K183-D363 IonicContact NZ-OD1 3.49Å; K183-D363 PolarHBondContact NZ-OD1 2.84Å; K183-D363 IonicContact NZ-OD2 3.65Å; K183-D363 PolarHBondContact NZ-OD2 3.08Å; K183-V364 PolarHBondContact NZ-O 3.35Å
184	Q	97.9	Very high	97	Very high	6 Å²	6	34 Å²	34	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-36	-180	-171.7	-178.4	14	0	0	110.5	T139 S182 Y186 L187 C188 N343 L346 N347	T139-Q184 HydrophobicContact CG2-CG 4.22Å; S182-Q184 VanDerWaalsContact C-N 3.32Å; S182-Q184 PolarHBondContact O-N 2.71Å; S182-Q184 VanDerWaalsContact O-N 3.16Å; Q184-Y186 VanDerWaalsContact C-N 3.35Å; Q184-L187 PolarHBondContact O-N 2.92Å; Q184-C188 WeakPolarHBondContact O-CB 3.46Å; Q184-C188 PolarHBondContact O-N 3.19Å; Q184-C188 PolarHBondContact O-SG 3.12Å; Q184-N343 PolarHBondContact NE2-OD1 3.2Å; Q184-L346 HydrophobicContact CB-CD1 4.03Å; Q184-L346 HydrophobicContact CG-CB 4.38Å; Q184-L346 HydrophobicContact CG-CD1 3.92Å; Q184-N347 PolarHBondContact NE2-OD1 2.81Å
185	L	97.6	Very high	97.3	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-39.7	176.5	-169.2	61.9	0	0	0	111	V138 F169 S182 K183 C188 Q189	V138-L185 HydrophobicContact CG1-CD1 3.73Å; F169-L185 HydrophobicContact CD1-CD2 4.29Å; F169-L185 HydrophobicContact CE1-CD2 4.4Å; S182-L185 WeakPolarHBondContact O-CA 3.37Å; S182-L185 VanDerWaalsContact O-CB 3.27Å; S182-L185 WeakPolarHBondContact O-CB 2.78Å; S182-L185 PolarHBondContact O-N 3.35Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.1Å; L185-C188 PolarHBondContact O-N 2.84Å; L185-Q189 HydrophobicContact CD1-CG 4.47Å; L185-Q189 HydrophobicContact CG-CG 4.45Å; L185-Q189 WeakPolarHBondContact O-CB 3.2Å; L185-Q189 WeakPolarHBondContact O-CG 3.23Å; L185-Q189 PolarHBondContact O-N 2.89Å; L185-Q189 PolarHBondContact O-NE2 3.1Å
186	Y	98.3	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-58.6	-50.1	172.9	-60.8	-12.9	0	0	0	111.6	E179 S182 K183 Q184 C188 Q189 C190 L207 F208 T215	E179-Y186 HydrophobicContact CG-CE2 4.28Å; S182-Y186 PolarHBondContact O-N 3.4Å; K183-Y186 PolarHBondContact O-N 3.24Å; Q184-Y186 VanDerWaalsContact C-N 3.35Å; Y186-C188 PolarHBondContact O-N 2.89Å; Y186-Q189 PolarHBondContact O-N 3.39Å; Y186-C190 PolarHBondContact O-N 2.83Å; Y186-C190 PolarHBondContact O-SG 2.97Å; Y186-L207 HydrophobicContact CD1-CD2 3.78Å; Y186-L207 HydrophobicContact CD2-CD2 3.88Å; Y186-L207 HydrophobicContact CE1-CD2 3.97Å; Y186-L207 HydrophobicContact CE2-CD2 4.05Å; Y186-L207 HydrophobicContact CG-CD2 3.74Å; Y186-F208 HydrophobicContact CE1-CD2 4.16Å; Y186-F208 WeakPolarHBondContact OH-CA 3.43Å; Y186-F208 VanDerWaalsContact OH-CB 3.25Å; Y186-F208 WeakPolarHBondContact OH-CB 3.45Å; Y186-F208 WeakPolarHBondContact OH-CD2 3.31Å; Y186-F208 PolarHBondContact OH-N 3.42Å; Y186-T215 HydrophobicContact CD2-CG2 4.06Å; Y186-T215 HydrophobicContact CE2-CG2 4.05Å
187	L	98.7	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.7	-49.5	178.6	-176	77	0	0	0	111.3	K183 Q184 C190 L191 F214 I218 F339 V342 N343 L346 I367	K183-L187 PolarHBondContact O-N 3.15Å; K183-L187 VanDerWaalsContact O-N 3.12Å; Q184-L187 PolarHBondContact O-N 2.92Å; L187-C190 PolarHBondContact O-N 3.44Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 PolarHBondContact O-N 3.49Å; L187-F214 HydrophobicContact CB-CE1 4.42Å; L187-F214 HydrophobicContact CB-CZ 4.38Å; L187-F214 HydrophobicContact CD1-CZ 4.5Å; L187-F214 HydrophobicContact CD2-CZ 4.38Å; L187-I218 HydrophobicContact CB-CD1 4.03Å; L187-I218 HydrophobicContact CD1-CD1 4.13Å; L187-I218 HydrophobicContact CD1-CG1 4.28Å; L187-F339 HydrophobicContact CD1-CB 4.03Å; L187-F339 HydrophobicContact CD1-CD1 3.68Å; L187-F339 HydrophobicContact CD1-CD2 4.06Å; L187-F339 HydrophobicContact CD1-CE1 4.09Å; L187-F339 HydrophobicContact CD1-CE2 4.44Å; L187-F339 HydrophobicContact CD1-CG 3.65Å; L187-F339 HydrophobicContact CD1-CZ 4.46Å; L187-F339 HydrophobicContact CG-CB 4.48Å; L187-V342 HydrophobicContact CD2-CB 3.9Å; L187-V342 HydrophobicContact CD2-CG1 3.54Å; L187-N343 HydrophobicContact CD2-CB 3.94Å; L187-L346 HydrophobicContact CD2-CD1 4.15Å; L187-I367 HydrophobicContact CD1-CD1 4.26Å
188	C	98.6	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-69.3	-34	-177.1	-67.6	0	0	0	0	113.1	V138 Q184 L185 Y186 C192 N343	V138-C188 HydrophobicContact CG1-CB 3.96Å; V138-C188 HydrophobicContact CG2-CB 4.3Å; Q184-C188 WeakPolarHBondContact O-CB 3.46Å; Q184-C188 PolarHBondContact O-N 3.19Å; Q184-C188 PolarHBondContact O-SG 3.12Å; L185-C188 PolarHBondContact O-N 2.84Å; Y186-C188 PolarHBondContact O-N 2.89Å; C188-C192 VanDerWaalsContact O-CB 3.26Å; C188-C192 WeakPolarHBondContact O-CB 3.42Å; C188-C192 PolarHBondContact O-N 3.46Å; C188-N343 PolarHBondContact SG-OD1 2.78Å
189	Q	98.7	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.6	-44.7	173	-72.2	174.1	124.5	0	0	110.8	I29 A165 G167 L185 Y186 C192 A193 F203 T205	I29-Q189 HydrophobicContact CD1-CB 4.19Å; I29-Q189 HydrophobicContact CD1-CG 4.11Å; A165-Q189 HydrophobicContact CB-CB 4.03Å; A165-Q189 HydrophobicContact CB-CG 3.83Å; A165-Q189 VanDerWaalsContact CB-OE1 3.23Å; G167-Q189 VanDerWaalsContact CA-OE1 3.3Å; L185-Q189 HydrophobicContact CD1-CG 4.47Å; L185-Q189 HydrophobicContact CG-CG 4.45Å; L185-Q189 WeakPolarHBondContact O-CB 3.2Å; L185-Q189 WeakPolarHBondContact O-CG 3.23Å; L185-Q189 PolarHBondContact O-N 2.89Å; L185-Q189 PolarHBondContact O-NE2 3.1Å; Y186-Q189 PolarHBondContact O-N 3.39Å; Q189-C192 PolarHBondContact O-N 3.29Å; Q189-A193 PolarHBondContact O-N 2.71Å; Q189-F203 HydrophobicContact CB-CZ 4.37Å; Q189-F203 WeakPolarHBondContact O-CZ 3.41Å; Q189-T205 PolarHBondContact NE2-OG1 3.08Å
190	C	98.8	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-45.3	175.4	-62	0	0	0	0	111.6	Y186 L187 C192 A193 L194 F203 I218 M222 F339	Y186-C190 PolarHBondContact O-N 2.83Å; Y186-C190 PolarHBondContact O-SG 2.97Å; L187-C190 PolarHBondContact O-N 3.44Å; C190-C192 VanDerWaalsContact C-N 3.35Å; C190-C192 PolarHBondContact O-N 3.34Å; C190-A193 VanDerWaalsContact O-CB 3.28Å; C190-A193 WeakPolarHBondContact O-CB 3.41Å; C190-A193 PolarHBondContact O-N 3.35Å; C190-A193 VanDerWaalsContact O-N 3.14Å; C190-L194 WeakPolarHBondContact O-CG 3.33Å; C190-L194 PolarHBondContact O-N 3.04Å; C190-F203 HydrophobicContact CB-CE1 4.33Å; C190-I218 HydrophobicContact CB-CG2 4.45Å; C190-M222 HydrophobicContact CB-CE 4.12Å; C190-M222 HydrophobicContact CB-CG 4.49Å; C190-M222 HydrophobicContact CB-SD 3.88Å; C190-F339 HydrophobicContact CB-CD2 4.44Å; C190-F339 HydrophobicContact CB-CE2 3.95Å
191	L	98.6	Very high	98.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-57.7	-46.7	176.3	176	58	0	0	0	111.6	L144 L187 A193 L194 I195 I336 F339 L340	L144-L191 HydrophobicContact CD1-CD2 3.82Å; L144-L191 HydrophobicContact CD1-CG 4.3Å; L187-L191 WeakPolarHBondContact O-CB 3.34Å; L187-L191 PolarHBondContact O-N 3.49Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 3.47Å; L191-L194 PolarHBondContact O-N 2.62Å; L191-I195 HydrophobicContact CD1-CD1 3.81Å; L191-I195 HydrophobicContact CD1-CG1 4.16Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 VanDerWaalsContact O-CG1 3.27Å; L191-I195 WeakPolarHBondContact O-CG1 3.39Å; L191-I195 PolarHBondContact O-N 2.67Å; L191-I336 HydrophobicContact CD1-CB 4.41Å; L191-I336 HydrophobicContact CD1-CG2 3.98Å; L191-F339 HydrophobicContact CB-CB 4.25Å; L191-F339 HydrophobicContact CB-CD2 4.35Å; L191-F339 HydrophobicContact CD1-CB 3.99Å; L191-F339 HydrophobicContact CD2-CB 4.48Å; L191-F339 HydrophobicContact CG-CB 4.47Å; L191-L340 HydrophobicContact CD2-CB 4.29Å; L191-L340 HydrophobicContact CD2-CD1 4.29Å
192	C	98.6	Very high	98.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-37.5	177.2	-169.1	0	0	0	0	111.8	I29 V138 L144 C188 Q189 C190 N196	I29-C192 HydrophobicContact CD1-CB 3.63Å; V138-C192 HydrophobicContact CG2-CB 4.24Å; L144-C192 HydrophobicContact CD2-CB 3.76Å; C188-C192 VanDerWaalsContact O-CB 3.26Å; C188-C192 WeakPolarHBondContact O-CB 3.42Å; C188-C192 PolarHBondContact O-N 3.46Å; Q189-C192 PolarHBondContact O-N 3.29Å; C190-C192 VanDerWaalsContact C-N 3.35Å; C190-C192 PolarHBondContact O-N 3.34Å; C192-N196 WeakPolarHBondContact O-CB 3.32Å; C192-N196 PolarHBondContact O-N 3.09Å; C192-N196 PolarHBondContact O-ND2 2.63Å; C192-N196 PolarHBondContact SG-ND2 3.06Å; C192-N196 VanDerWaalsContact SG-ND2 3.44Å
193	A	98.8	Very high	98.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.9	-53.8	172.3	0	0	0	0	0	112.2	L163 Q189 C190 L191 I195 N196 L197 F203	L163-A193 HydrophobicContact CD2-CB 4.02Å; Q189-A193 PolarHBondContact O-N 2.71Å; C190-A193 VanDerWaalsContact O-CB 3.28Å; C190-A193 WeakPolarHBondContact O-CB 3.41Å; C190-A193 PolarHBondContact O-N 3.35Å; C190-A193 VanDerWaalsContact O-N 3.14Å; L191-A193 VanDerWaalsContact C-N 3.28Å; L191-A193 PolarHBondContact O-N 3.47Å; A193-I195 VanDerWaalsContact C-N 3.26Å; A193-I195 PolarHBondContact O-N 3.31Å; A193-N196 PolarHBondContact O-N 2.77Å; A193-N196 VanDerWaalsContact O-N 3.16Å; A193-L197 HydrophobicContact CB-CD1 3.95Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.19Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.28Å; A193-L197 PolarHBondContact O-N 2.92Å; A193-F203 HydrophobicContact CB-CB 4.34Å; A193-F203 HydrophobicContact CB-CD1 3.88Å; A193-F203 HydrophobicContact CB-CD2 3.39Å; A193-F203 HydrophobicContact CB-CE1 3.95Å; A193-F203 HydrophobicContact CB-CE2 3.51Å; A193-F203 HydrophobicContact CB-CG 3.6Å; A193-F203 HydrophobicContact CB-CZ 3.75Å
194	L	98.7	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63	-32.9	-177.6	-63.1	179.8	0	0	0	112.7	C190 L191 M222 L225 F226 L251 L332 V335 I336 F339	C190-L194 WeakPolarHBondContact O-CG 3.33Å; C190-L194 PolarHBondContact O-N 3.04Å; L191-L194 PolarHBondContact O-N 2.62Å; L194-M222 HydrophobicContact CD1-SD 4.18Å; L194-M222 HydrophobicContact CD2-CE 4.29Å; L194-M222 HydrophobicContact CD2-SD 4.27Å; L194-M222 HydrophobicContact CG-SD 4.36Å; L194-L225 HydrophobicContact CD1-CD1 3.61Å; L194-L225 HydrophobicContact CD2-CB 4.45Å; L194-L225 HydrophobicContact CD2-CD1 3.67Å; L194-L225 HydrophobicContact CG-CD1 4.3Å; L194-F226 HydrophobicContact CD2-CE2 3.97Å; L194-F226 HydrophobicContact CD2-CZ 4.41Å; L194-L251 HydrophobicContact CD2-CD1 3.79Å; L194-L332 HydrophobicContact CB-CD1 3.93Å; L194-L332 HydrophobicContact CD2-CD1 3.82Å; L194-L332 HydrophobicContact CG-CD1 4.28Å; L194-V335 HydrophobicContact CD1-CG1 3.68Å; L194-I336 HydrophobicContact CB-CD1 4.14Å; L194-I336 HydrophobicContact CB-CG1 3.75Å; L194-I336 HydrophobicContact CD1-CG1 4.49Å; L194-F339 HydrophobicContact CD1-CD2 4.17Å; L194-F339 HydrophobicContact CD1-CE2 4.07Å
195	I	98.2	Very high	98.6	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-66.6	-42.6	175.6	-73.7	168.2	0	0	0	111.6	L144 A148 L191 A193 M258 G260 C261 I336	L144-I195 HydrophobicContact CB-CD1 4.47Å; A148-I195 HydrophobicContact CB-CG2 3.58Å; L191-I195 HydrophobicContact CD1-CD1 3.81Å; L191-I195 HydrophobicContact CD1-CG1 4.16Å; L191-I195 HydrophobicContact CG-CD1 3.83Å; L191-I195 VanDerWaalsContact O-CG1 3.27Å; L191-I195 WeakPolarHBondContact O-CG1 3.39Å; L191-I195 PolarHBondContact O-N 2.67Å; A193-I195 VanDerWaalsContact C-N 3.26Å; A193-I195 PolarHBondContact O-N 3.31Å; I195-M258 WeakPolarHBondContact O-CE 3.27Å; I195-G260 PolarHBondContact O-N 2.85Å; I195-C261 HydrophobicContact CD1-CB 4.32Å; I195-C261 HydrophobicContact CG2-CB 4.23Å; I195-I336 HydrophobicContact CG1-CG2 4.17Å
196	N	98.6	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-107.2	-18.8	-162.4	-68.1	-69.8	0	0	0	115.6	A148 I151 G159 V160 L163 C192 A193 M258	A148-N196 VanDerWaalsContact CA-OD1 3.23Å; A148-N196 WeakPolarHBondContact CA-OD1 3.23Å; I151-N196 HydrophobicContact CD1-CB 4.05Å; G159-N196 VanDerWaalsContact CA-O 3.32Å; G159-N196 WeakPolarHBondContact CA-O 3.36Å; V160-N196 PolarHBondContact N-O 3.28Å; L163-N196 HydrophobicContact CD1-CB 4.03Å; C192-N196 WeakPolarHBondContact O-CB 3.32Å; C192-N196 PolarHBondContact O-N 3.09Å; C192-N196 PolarHBondContact O-ND2 2.63Å; C192-N196 PolarHBondContact SG-ND2 3.06Å; C192-N196 VanDerWaalsContact SG-ND2 3.44Å; A193-N196 PolarHBondContact O-N 2.77Å; A193-N196 VanDerWaalsContact O-N 3.16Å; N196-M258 HydrophobicContact CB-CE 4.45Å; N196-M258 WeakPolarHBondContact OD1-CE 3.31Å
197	L	98.8	Very high	98.6	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	140.8	179.1	-77.7	167.9	0	0	0	111.3	V160 L163 A193 H202 F203 F226 L251 M258	V160-L197 HydrophobicContact CG2-CD2 4.11Å; L163-L197 HydrophobicContact CB-CD2 3.97Å; L163-L197 HydrophobicContact CB-CG 4.16Å; A193-L197 HydrophobicContact CB-CD1 3.95Å; A193-L197 VanDerWaalsContact O-CB 3.3Å; A193-L197 WeakPolarHBondContact O-CB 3.19Å; A193-L197 VanDerWaalsContact O-CG 3.27Å; A193-L197 WeakPolarHBondContact O-CG 3.28Å; A193-L197 PolarHBondContact O-N 2.92Å; L197-H202 VanDerWaalsContact CD2-O 3.28Å; L197-H202 WeakPolarHBondContact CD2-O 3.34Å; L197-F203 HydrophobicContact CD1-CB 3.93Å; L197-F226 HydrophobicContact CD1-CE1 4.18Å; L197-F226 HydrophobicContact CD1-CZ 3.92Å; L197-L251 HydrophobicContact CB-CD2 3.79Å; L197-M258 WeakPolarHBondContact O-CA 3.5Å
198	R	98.3	Very high	98.5	Very high	45 Å²	45	8.5 Å²	8.5	17%	0.17	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	161.2	166.5	73.7	177.5	57.8	-164.5	-2.2	111	A158 G159 V160 H161 G200 G201	A158-R198 WeakPolarHBondContact O-CA 3.28Å; A158-R198 WeakPolarHBondContact O-CB 3.47Å; G159-R198 PolarHBondContact O-NE 2.82Å; G159-R198 VanDerWaalsContact O-NE 3.11Å; G159-R198 PolarHBondContact O-NH2 2.91Å; V160-R198 WeakPolarHBondContact O-CG 3.37Å; V160-R198 PolarHBondContact O-N 3.37Å; H161-R198 PolarHBondContact CE1-NH1 2.99Å; H161-R198 VanDerWaalsContact CE1-NH1 3.25Å; H161-R198 PolarHBondContact CE1-NH2 2.82Å; H161-R198 VanDerWaalsContact NE2-CZ 3.25Å; H161-R198 PolarHBondContact NE2-NH1 3.29Å; R198-G200 PolarHBondContact O-N 3.46Å; R198-G201 WeakPolarHBondContact O-CA 3.38Å; R198-G201 PolarHBondContact O-N 2.85Å
199	P	98.2	Very high	98.4	Very high	43 Å²	43	9.5 Å²	9.5	28%	0.279	6%	0.056	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	132.5	167.3	-21.7	32.7	0	0	0	110.8	G201 L255	P199-G201 PolarHBondContact O-N 3.13Å; P199-L255 WeakPolarHBondContact CG-O 3.33Å
200	G	98.5	Very high	98.4	Very high	35 Å²	35	9.5 Å²	9.5	36%	0.361	6%	0.056	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76	3.3	-173.4	0	0	0	0	0	115.1	R198 N250 L251	R198-G200 PolarHBondContact O-N 3.46Å; G200-N250 PolarHBondContact O-OD1 3.29Å; G200-L251 PolarHBondContact N-O 3.48Å
201	G	98.8	Very high	98.3	Very high	2 Å²	2	15 Å²	15	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	160.1	176.9	0	0	0	0	0	113.8	H161 R198 P199 N250 L251	H161-G201 CarbonylContact O-C 3.54Å; H161-G201 WeakPolarHBondContact O-CA 3.43Å; R198-G201 WeakPolarHBondContact O-CA 3.38Å; R198-G201 PolarHBondContact O-N 2.85Å; P199-G201 PolarHBondContact O-N 3.13Å; G201-N250 CarbonylContact O-C 3.57Å; G201-N250 WeakPolarHBondContact O-CA 3.3Å; G201-N250 PolarHBondContact O-N 3.49Å; G201-L251 PolarHBondContact O-N 3Å
202	H	98.9	Very high	98.2	Very high	15 Å²	15	16.9 Å²	16.9	7%	0.069	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	145.5	179.9	-49.2	-69.1	0	0	0	112.1	M13 F14 H161 I162 L163 L197 C248 N250	M13-H202 HydrophobicContact CE-CB 4.36Å; F14-H202 HydrophobicContact CD1-CB 4.26Å; F14-H202 HydrophobicContact CE1-CB 4.17Å; H161-H202 PolarHBondContact O-N 3.06Å; I162-H202 WeakPolarHBondContact CA-O 3.42Å; I162-H202 HydrophobicContact CG2-CB 4.33Å; L163-H202 PolarHBondContact N-O 3.38Å; L197-H202 VanDerWaalsContact CD2-O 3.28Å; L197-H202 WeakPolarHBondContact CD2-O 3.34Å; H202-C248 WeakPolarHBondContact CA-O 3.35Å; H202-N250 PolarHBondContact CE1-OD1 3.4Å; H202-N250 PolarHBondContact ND1-N 3.38Å
203	F	98.9	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.1	176	-177.3	-138.7	0	0	0	111.1	L163 A165 Q189 C190 A193 L197 T205 M222 F226 C248	L163-F203 HydrophobicContact CB-CD2 4.29Å; L163-F203 HydrophobicContact CD2-CD2 3.72Å; L163-F203 HydrophobicContact CD2-CE2 3.49Å; L163-F203 VanDerWaalsContact CD2-CE2 3.49Å; L163-F203 WeakPolarHBondContact O-CA 3.36Å; L163-F203 WeakPolarHBondContact O-CD2 3.35Å; A165-F203 HydrophobicContact CB-CE2 4.29Å; Q189-F203 HydrophobicContact CB-CZ 4.37Å; Q189-F203 WeakPolarHBondContact O-CZ 3.41Å; C190-F203 HydrophobicContact CB-CE1 4.33Å; A193-F203 HydrophobicContact CB-CB 4.34Å; A193-F203 HydrophobicContact CB-CD1 3.88Å; A193-F203 HydrophobicContact CB-CD2 3.39Å; A193-F203 HydrophobicContact CB-CE1 3.95Å; A193-F203 HydrophobicContact CB-CE2 3.51Å; A193-F203 HydrophobicContact CB-CG 3.6Å; A193-F203 HydrophobicContact CB-CZ 3.75Å; L197-F203 HydrophobicContact CD1-CB 3.93Å; F203-T205 HydrophobicContact CD1-CG2 4.37Å; F203-T205 HydrophobicContact CE1-CG2 3.5Å; F203-T205 HydrophobicContact CE2-CG2 4.43Å; F203-T205 HydrophobicContact CZ-CG2 3.56Å; F203-M222 HydrophobicContact CD1-CE 3.56Å; F203-M222 HydrophobicContact CE1-CE 3.8Å; F203-F226 HydrophobicContact CB-CE1 4.14Å; F203-F226 HydrophobicContact CB-CZ 3.93Å; F203-C248 HydrophobicContact CB-CB 4.06Å; F203-C248 PolarHBondContact N-O 2.84Å; F203-C248 PolarHBondContact O-N 3.29Å
204	L	98.9	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.5	169.6	175.7	71.7	0	0	0	108.6	M3 I6 F14 F36 L163 M164 A165 Y245 L246 V247	M3-L204 HydrophobicContact CE-CD2 3.85Å; M3-L204 HydrophobicContact SD-CD2 3.35Å; M3-L204 WeakPolarHBondContact SD-CD2 3.33Å; I6-L204 HydrophobicContact CD1-CD1 4.2Å; I6-L204 HydrophobicContact CD1-CD2 3.98Å; I6-L204 HydrophobicContact CG2-CD1 4.07Å; I6-L204 HydrophobicContact CG2-CD2 4.18Å; F14-L204 HydrophobicContact CE1-CB 3.86Å; F14-L204 HydrophobicContact CZ-CB 4.09Å; F14-L204 HydrophobicContact CZ-CD1 4.43Å; F36-L204 HydrophobicContact CE2-CD2 4.09Å; L163-L204 PolarHBondContact O-N 3.45Å; M164-L204 CarbonylContact C-O 3.29Å; M164-L204 VanDerWaalsContact CA-O 3.32Å; M164-L204 WeakPolarHBondContact CA-O 3.08Å; A165-L204 PolarHBondContact N-O 2.94Å; L204-Y245 HydrophobicContact CD1-CD1 3.89Å; L204-Y245 HydrophobicContact CD1-CG 4.18Å; L204-Y245 HydrophobicContact CD2-CD1 4.48Å; L204-Y245 HydrophobicContact CG-CD1 4.1Å; L204-L246 WeakPolarHBondContact CA-O 3.36Å; L204-V247 HydrophobicContact CD1-CG2 3.58Å
205	T	98.7	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.9	172.6	-173.5	0	0	0	0	112.5	A165 Q189 F203 Y245 L246	A165-T205 CarbonylContact O-C 3.4Å; A165-T205 WeakPolarHBondContact O-CA 3.19Å; Q189-T205 PolarHBondContact NE2-OG1 3.08Å; F203-T205 HydrophobicContact CD1-CG2 4.37Å; F203-T205 HydrophobicContact CE1-CG2 3.5Å; F203-T205 HydrophobicContact CE2-CG2 4.43Å; F203-T205 HydrophobicContact CZ-CG2 3.56Å; T205-Y245 CarbonylContact O-C 3.48Å; T205-Y245 VanDerWaalsContact O-CA 3.29Å; T205-Y245 WeakPolarHBondContact O-CA 3.3Å; T205-L246 HydrophobicContact CG2-CB 3.9Å; T205-L246 HydrophobicContact CG2-CD2 4.16Å; T205-L246 HydrophobicContact CG2-CG 4.4Å; T205-L246 PolarHBondContact N-O 3.31Å; T205-L246 PolarHBondContact O-N 3.17Å
206	K	98.3	Very high	98.1	Very high	17 Å²	17	22.1 Å²	22.1	7%	0.074	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.5	168.1	-173.5	-177.4	-60.8	167.2	0	110.6	A165 D166 F208 E243 Y245	A165-K206 PolarHBondContact O-N 2.93Å; D166-K206 WeakPolarHBondContact O-CE 2.9Å; D166-K206 PolarHBondContact O-NZ 2.7Å; D166-K206 WeakPolarHBondContact OD1-CE 3.5Å; D166-K206 IonicContact OD1-NZ 2.71Å; D166-K206 PolarHBondContact OD1-NZ 3.01Å; D166-K206 IonicContact OD2-NZ 2.85Å; D166-K206 PolarHBondContact OD2-NZ 3.16Å; K206-F208 HydrophobicContact CD-CE1 4.2Å; K206-F208 HydrophobicContact CD-CZ 4.01Å; K206-E243 HydrophobicContact CD-CG 3.98Å; K206-E243 WeakPolarHBondContact CD-OE1 3.44Å; K206-E243 WeakPolarHBondContact CE-OE1 3.26Å; K206-E243 HydrophobicContact CG-CG 3.97Å; K206-E243 IonicContact NZ-OE1 3.69Å; K206-E243 PolarHBondContact NZ-OE1 3.25Å; K206-Y245 HydrophobicContact CB-CD1 4.24Å; K206-Y245 HydrophobicContact CB-CE1 3.86Å; K206-Y245 WeakPolarHBondContact CE-OH 3.48Å; K206-Y245 HydrophobicContact CG-CE1 4.38Å
207	L	97.6	Very high	98.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.8	165.1	-60.6	178.2	0	0	0	108.9	Y186 T210 I219 E243 R244 L246	Y186-L207 HydrophobicContact CD1-CD2 3.78Å; Y186-L207 HydrophobicContact CD2-CD2 3.88Å; Y186-L207 HydrophobicContact CE1-CD2 3.97Å; Y186-L207 HydrophobicContact CE2-CD2 4.05Å; Y186-L207 HydrophobicContact CG-CD2 3.74Å; L207-T210 HydrophobicContact CB-CG2 4.41Å; L207-T210 HydrophobicContact CD1-CG2 3.95Å; L207-I219 HydrophobicContact CD1-CD1 4.24Å; L207-I219 HydrophobicContact CD1-CG1 4.39Å; L207-E243 WeakPolarHBondContact O-CA 3.27Å; L207-R244 HydrophobicContact CB-CG 4.02Å; L207-R244 PolarHBondContact N-O 3.48Å; L207-R244 PolarHBondContact O-N 3.31Å; L207-L246 HydrophobicContact CD1-CB 3.7Å; L207-L246 HydrophobicContact CG-CB 4.19Å
208	F	96.9	Very high	98.1	Very high	14 Å²	14	22.2 Å²	22.2	6%	0.061	12%	0.117	C	C	.	.			trans	-105.5	-132.6	165.1	-59	-70.7	0	0	0	108.5	Q178 Y186 K206 S242 E243 R244	Q178-F208 VanDerWaalsContact CD-CE1 3.45Å; Q178-F208 VanDerWaalsContact CD-CG 3.43Å; Q178-F208 HydrophobicContact CG-CB 4.18Å; Q178-F208 HydrophobicContact CG-CD1 4.09Å; Q178-F208 HydrophobicContact CG-CD2 3.48Å; Q178-F208 VanDerWaalsContact CG-CD2 3.48Å; Q178-F208 HydrophobicContact CG-CE1 4.37Å; Q178-F208 HydrophobicContact CG-CE2 3.81Å; Q178-F208 HydrophobicContact CG-CG 3.63Å; Q178-F208 HydrophobicContact CG-CZ 4.25Å; Y186-F208 HydrophobicContact CE1-CD2 4.16Å; Y186-F208 WeakPolarHBondContact OH-CA 3.43Å; Y186-F208 VanDerWaalsContact OH-CB 3.25Å; Y186-F208 WeakPolarHBondContact OH-CB 3.45Å; Y186-F208 WeakPolarHBondContact OH-CD2 3.31Å; Y186-F208 PolarHBondContact OH-N 3.42Å; K206-F208 HydrophobicContact CD-CE1 4.2Å; K206-F208 HydrophobicContact CD-CZ 4.01Å; F208-S242 CarbonylContact C-O 3.59Å; F208-S242 VanDerWaalsContact CA-O 3.3Å; F208-S242 WeakPolarHBondContact CA-O 3.19Å; F208-E243 HydrophobicContact CD1-CB 4.39Å; F208-E243 HydrophobicContact CE1-CB 4.4Å; F208-R244 WeakPolarHBondContact O-CD 3.42Å; F208-R244 WeakPolarHBondContact O-CG 3.37Å; F208-R244 PolarHBondContact O-NE 2.94Å
209	D	97.5	Very high	98.1	Very high	20 Å²	20	20.1 Å²	20.1	11%	0.107	11%	0.11	C	C	.	.			trans	-62.5	155.7	169.4	-66.4	-48.7	0	0	0	111.5	E179 F211 S242 R244	E179-D209 HydrophobicContact CB-CB 4.21Å; E179-D209 VanDerWaalsContact CD-C 3.42Å; E179-D209 WeakPolarHBondContact CG-O 3.44Å; E179-D209 VanDerWaalsContact OE2-C 3.27Å; E179-D209 WeakPolarHBondContact OE2-CB 3.4Å; D209-F211 HydrophobicContact CB-CD2 3.6Å; D209-F211 HydrophobicContact CB-CE2 3.57Å; D209-F211 HydrophobicContact CB-CG 4.42Å; D209-F211 HydrophobicContact CB-CZ 4.37Å; D209-F211 VanDerWaalsContact CG-CE2 3.45Å; D209-S242 VanDerWaalsContact CG-CB 3.47Å; D209-S242 WeakPolarHBondContact OD1-CB 3.37Å; D209-S242 PolarHBondContact OD1-OG 3.41Å; D209-S242 WeakPolarHBondContact OD2-CB 3.31Å; D209-S242 PolarHBondContact OD2-OG 3.37Å; D209-R244 IonicContact OD1-CZ 3.98Å; D209-R244 IonicContact OD1-NH2 3.2Å; D209-R244 PolarHBondContact OD1-NH2 3.19Å
210	T	97.3	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-132.6	44.7	-174.6	47.4	0	0	0	0	109	E179 L207 T215 I216 I219 M386 N387	E179-T210 PolarHBondContact OE2-N 3.3Å; L207-T210 HydrophobicContact CB-CG2 4.41Å; L207-T210 HydrophobicContact CD1-CG2 3.95Å; T210-T215 HydrophobicContact CG2-CG2 3.75Å; T210-I216 WeakPolarHBondContact O-CD1 3.36Å; T210-I219 HydrophobicContact CG2-CD1 3.76Å; T210-M386 WeakPolarHBondContact OG1-CE 3.07Å; T210-N387 PolarHBondContact O-ND2 3.07Å; T210-N387 PolarHBondContact OG1-OD1 3.11Å
211	F	97.3	Very high	98.1	Very high	115 Å²	115	18.2 Å²	18.2	50%	0.504	9%	0.087	S	C	.	.			trans	-93.7	-28.2	-177.7	-58.6	-49.8	0	0	0	112.6	E179 D209 N387	E179-F211 PolarHBondContact OE1-N 2.79Å; E179-F211 VanDerWaalsContact OE1-N 3.13Å; E179-F211 PolarHBondContact OE2-N 2.95Å; D209-F211 HydrophobicContact CB-CD2 3.6Å; D209-F211 HydrophobicContact CB-CE2 3.57Å; D209-F211 HydrophobicContact CB-CG 4.42Å; D209-F211 HydrophobicContact CB-CZ 4.37Å; D209-F211 VanDerWaalsContact CG-CE2 3.45Å; F211-N387 HydrophobicContact CD1-CB 4.21Å; F211-N387 HydrophobicContact CE1-CB 3.89Å
212	T	97.6	Very high	98.1	Very high	41 Å²	41	18.1 Å²	18.1	25%	0.252	9%	0.086	S	C	.	.	S	Bend	trans	-76.7	143.4	-176.5	67.2	0	0	0	0	111	E179 V180 F214 T215 I216	E179-T212 HydrophobicContact CG-CG2 4.17Å; E179-T212 VanDerWaalsContact OE1-CB 3.31Å; E179-T212 WeakPolarHBondContact OE1-CB 3.45Å; E179-T212 WeakPolarHBondContact OE1-CG2 3.44Å; E179-T212 PolarHBondContact OE1-N 3.02Å; E179-T212 PolarHBondContact OE1-OG1 3.33Å; E179-T212 PolarHBondContact OE2-N 2.95Å; V180-T212 HydrophobicContact CG2-CG2 4.06Å; T212-F214 PolarHBondContact O-N 3.3Å; T212-T215 PolarHBondContact O-N 3.27Å; T212-T215 PolarHBondContact OG1-N 2.9Å; T212-T215 PolarHBondContact OG1-OG1 3.16Å; T212-I216 WeakPolarHBondContact O-CG1 3.45Å; T212-I216 PolarHBondContact O-N 2.9Å
213	E	97.2	Very high	98	Very high	93 Å²	93	18.8 Å²	18.8	44%	0.435	10%	0.098	S	C	.	.	H	α-helix	trans	-52.5	-43.1	175.2	-65.8	170.8	118	0	0	112.1	T215 I216 D217 R366	E213-T215 VanDerWaalsContact C-N 3.34Å; E213-T215 PolarHBondContact O-N 3.45Å; E213-I216 PolarHBondContact O-N 2.86Å; E213-D217 WeakPolarHBondContact O-CB 3.49Å; E213-D217 PolarHBondContact O-N 3.21Å; E213-R366 HydrophobicContact CB-CG 3.84Å; E213-R366 IonicContact OE1-CZ 3.22Å; E213-R366 IonicContact OE1-NE 2.65Å; E213-R366 IonicContact OE1-NH1 3.8Å; E213-R366 PolarHBondContact OE1-NH1 3Å
214	F	98.2	Very high	97.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-55.2	-45.7	175.9	-171	-88.5	0	0	0	113.1	K183 L187 T212 I218 V342 L346 V364 L365 I367	K183-F214 HydrophobicContact CB-CD1 3.74Å; K183-F214 HydrophobicContact CB-CE1 3.79Å; K183-F214 HydrophobicContact CG-CE1 4.41Å; K183-F214 WeakPolarHBondContact O-CE1 3.49Å; L187-F214 HydrophobicContact CB-CE1 4.42Å; L187-F214 HydrophobicContact CB-CZ 4.38Å; L187-F214 HydrophobicContact CD1-CZ 4.5Å; L187-F214 HydrophobicContact CD2-CZ 4.38Å; T212-F214 PolarHBondContact O-N 3.3Å; F214-I218 HydrophobicContact CD1-CD1 3.83Å; F214-I218 HydrophobicContact CE1-CD1 3.43Å; F214-I218 VanDerWaalsContact CE1-CD1 3.43Å; F214-I218 HydrophobicContact CE1-CG1 4.36Å; F214-I218 HydrophobicContact CZ-CD1 4.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-V342 HydrophobicContact CE2-CG1 4Å; F214-V342 HydrophobicContact CZ-CG1 4.14Å; F214-L346 HydrophobicContact CZ-CD1 4.16Å; F214-V364 HydrophobicContact CD2-CG1 4.39Å; F214-V364 VanDerWaalsContact CD2-O 3.25Å; F214-V364 WeakPolarHBondContact CD2-O 3.05Å; F214-V364 HydrophobicContact CE2-CB 4.4Å; F214-V364 HydrophobicContact CE2-CG1 4.07Å; F214-L365 WeakPolarHBondContact CB-O 3.44Å; F214-L365 PolarHBondContact N-O 2.98Å; F214-I367 HydrophobicContact CD2-CG2 3.85Å; F214-I367 HydrophobicContact CE2-CG2 3.44Å; F214-I367 VanDerWaalsContact CE2-CG2 3.44Å; F214-I367 HydrophobicContact CZ-CG2 4.23Å
215	T	98.4	Very high	97.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-40.2	179.5	-56.8	0	0	0	0	111.1	E179 Y186 T210 T212 E213 D217 I218 I219	E179-T215 WeakPolarHBondContact OE1-CB 3.48Å; E179-T215 PolarHBondContact OE1-OG1 3.1Å; Y186-T215 HydrophobicContact CD2-CG2 4.06Å; Y186-T215 HydrophobicContact CE2-CG2 4.05Å; T210-T215 HydrophobicContact CG2-CG2 3.75Å; T212-T215 PolarHBondContact O-N 3.27Å; T212-T215 PolarHBondContact OG1-N 2.9Å; T212-T215 PolarHBondContact OG1-OG1 3.16Å; E213-T215 VanDerWaalsContact C-N 3.34Å; E213-T215 PolarHBondContact O-N 3.45Å; T215-D217 VanDerWaalsContact C-N 3.34Å; T215-I218 PolarHBondContact O-N 3.41Å; T215-I219 HydrophobicContact CG2-CD1 4.03Å; T215-I219 WeakPolarHBondContact O-CG1 3.36Å; T215-I219 PolarHBondContact O-N 3.12Å
216	I	98	Very high	97.9	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.1	-65.1	-46.8	0	0	0	111.4	T210 T212 E213 I218 I219 Y220 I373 F379 I383	T210-I216 WeakPolarHBondContact O-CD1 3.36Å; T212-I216 WeakPolarHBondContact O-CG1 3.45Å; T212-I216 PolarHBondContact O-N 2.9Å; E213-I216 PolarHBondContact O-N 2.86Å; I216-I218 VanDerWaalsContact C-N 3.32Å; I216-I218 PolarHBondContact O-N 2.85Å; I216-I219 HydrophobicContact CD1-CD1 4.23Å; I216-I219 PolarHBondContact O-N 3.4Å; I216-Y220 WeakPolarHBondContact O-CB 3.4Å; I216-Y220 PolarHBondContact O-N 3.35Å; I216-I373 HydrophobicContact CG2-CG2 4.44Å; I216-F379 HydrophobicContact CG2-CE1 3.6Å; I216-F379 HydrophobicContact CG2-CZ 4Å; I216-I383 HydrophobicContact CD1-CB 4.38Å; I216-I383 HydrophobicContact CD1-CD1 3.88Å; I216-I383 HydrophobicContact CD1-CG1 4.11Å; I216-I383 HydrophobicContact CD1-CG2 3.35Å; I216-I383 HydrophobicContact CG1-CG2 4.03Å
217	D	98.4	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-41.7	176	-66.9	-1.5	0	0	0	111.3	E213 T215 Y220 I221 R366 I367 C368 I373	E213-D217 WeakPolarHBondContact O-CB 3.49Å; E213-D217 PolarHBondContact O-N 3.21Å; T215-D217 VanDerWaalsContact C-N 3.34Å; D217-Y220 PolarHBondContact O-N 3.49Å; D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.66Å; D217-R366 IonicContact OD1-CZ 2.65Å; D217-R366 IonicContact OD1-NE 3.91Å; D217-R366 PolarHBondContact OD1-NE 2.99Å; D217-R366 IonicContact OD1-NH2 2.72Å; D217-R366 PolarHBondContact OD1-NH2 3.39Å; D217-R366 WeakPolarHBondContact OD2-CA 3.36Å; D217-R366 WeakPolarHBondContact OD2-CB 3.29Å; D217-R366 IonicContact OD2-NE 3.58Å; D217-R366 PolarHBondContact OD2-NE 3.06Å; D217-I367 HydrophobicContact CB-CD1 4.2Å; D217-I367 HydrophobicContact CB-CG1 3.43Å; D217-I367 VanDerWaalsContact CB-CG1 3.43Å; D217-I367 PolarHBondContact OD2-N 3.32Å; D217-C368 HydrophobicContact CB-CB 4.08Å; D217-C368 PolarHBondContact OD2-N 3.07Å; D217-I373 HydrophobicContact CB-CD1 4.32Å; D217-I373 WeakPolarHBondContact OD1-CD1 3.28Å
218	I	98.6	Very high	97.9	Very high	3 Å²	3	34 Å²	34	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-50.3	174.3	-68.8	171.2	0	0	0	110.4	L187 C190 F214 T215 I216 Y220 I221 M222 I367	L187-I218 HydrophobicContact CB-CD1 4.03Å; L187-I218 HydrophobicContact CD1-CD1 4.13Å; L187-I218 HydrophobicContact CD1-CG1 4.28Å; C190-I218 HydrophobicContact CB-CG2 4.45Å; F214-I218 HydrophobicContact CD1-CD1 3.83Å; F214-I218 HydrophobicContact CE1-CD1 3.43Å; F214-I218 VanDerWaalsContact CE1-CD1 3.43Å; F214-I218 HydrophobicContact CE1-CG1 4.36Å; F214-I218 HydrophobicContact CZ-CD1 4.26Å; F214-I218 WeakPolarHBondContact O-CG1 3.22Å; F214-I218 PolarHBondContact O-N 3.34Å; T215-I218 PolarHBondContact O-N 3.41Å; I216-I218 VanDerWaalsContact C-N 3.32Å; I216-I218 PolarHBondContact O-N 2.85Å; I218-Y220 VanDerWaalsContact C-N 3.29Å; I218-Y220 PolarHBondContact O-N 2.76Å; I218-I221 PolarHBondContact O-N 3.37Å; I218-M222 HydrophobicContact CG2-CG 4.21Å; I218-M222 WeakPolarHBondContact O-CB 3.24Å; I218-M222 WeakPolarHBondContact O-CG 3.4Å; I218-M222 PolarHBondContact O-N 2.83Å; I218-I367 HydrophobicContact CG1-CD1 3.65Å
219	I	98.5	Very high	98	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-42.6	-179.1	-66.2	160.6	0	0	0	110.5	L207 T210 T215 I216 M222 G223 I229 I231 F379 I383	L207-I219 HydrophobicContact CD1-CD1 4.24Å; L207-I219 HydrophobicContact CD1-CG1 4.39Å; T210-I219 HydrophobicContact CG2-CD1 3.76Å; T215-I219 HydrophobicContact CG2-CD1 4.03Å; T215-I219 WeakPolarHBondContact O-CG1 3.36Å; T215-I219 PolarHBondContact O-N 3.12Å; I216-I219 HydrophobicContact CD1-CD1 4.23Å; I216-I219 PolarHBondContact O-N 3.4Å; I219-M222 PolarHBondContact O-N 3.47Å; I219-G223 PolarHBondContact O-N 3.43Å; I219-I229 HydrophobicContact CG2-CD1 3.95Å; I219-I231 HydrophobicContact CD1-CD1 3.7Å; I219-I231 HydrophobicContact CG1-CD1 4.26Å; I219-I231 HydrophobicContact CG2-CD1 4.1Å; I219-F379 HydrophobicContact CG2-CE2 4.15Å; I219-F379 HydrophobicContact CG2-CZ 4.27Å; I219-I383 HydrophobicContact CG2-CD1 4.21Å
220	Y	98	Very high	98	Very high	18 Å²	18	38.1 Å²	38.1	7%	0.071	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-50.9	177.7	-172.3	-106.6	0	0	0	111.4	I216 D217 I218 M222 G223 Y224 I372 I373 D376 F379	I216-Y220 WeakPolarHBondContact O-CB 3.4Å; I216-Y220 PolarHBondContact O-N 3.35Å; D217-Y220 PolarHBondContact O-N 3.49Å; I218-Y220 VanDerWaalsContact C-N 3.29Å; I218-Y220 PolarHBondContact O-N 2.76Å; Y220-M222 VanDerWaalsContact C-N 3.35Å; Y220-M222 PolarHBondContact O-N 2.95Å; Y220-G223 PolarHBondContact O-N 3Å; Y220-G223 VanDerWaalsContact O-N 3.13Å; Y220-Y224 HydrophobicContact CD1-CD2 4.46Å; Y220-Y224 HydrophobicContact CD1-CE2 4.15Å; Y220-Y224 HydrophobicContact CE1-CD2 4.27Å; Y220-Y224 AromaticContact CE1-CE2 3.57Å; Y220-Y224 HydrophobicContact CE1-CE2 3.57Å; Y220-Y224 AromaticContact CE2-CE2 4Å; Y220-Y224 HydrophobicContact CE2-CE2 4Å; Y220-Y224 AromaticContact CZ-CE2 3.5Å; Y220-Y224 WeakPolarHBondContact O-CD2 3.34Å; Y220-Y224 PolarHBondContact O-N 2.9Å; Y220-Y224 PolarHBondContact OH-OH 3.19Å; Y220-I372 HydrophobicContact CE1-CG2 4.24Å; Y220-I373 HydrophobicContact CD1-CD1 4.26Å; Y220-I373 HydrophobicContact CD1-CG1 3.76Å; Y220-I373 HydrophobicContact CD2-CG1 4.41Å; Y220-I373 HydrophobicContact CE1-CG1 3.95Å; Y220-I373 HydrophobicContact CG-CD1 4.36Å; Y220-I373 HydrophobicContact CG-CG1 4Å; Y220-D376 HydrophobicContact CE2-CB 4.03Å; Y220-F379 HydrophobicContact CD2-CB 4.33Å; Y220-F379 AromaticContact CD2-CD1 3.47Å; Y220-F379 HydrophobicContact CD2-CD1 3.47Å; Y220-F379 VanDerWaalsContact CD2-CD1 3.47Å; Y220-F379 AromaticContact CD2-CD2 3.83Å; Y220-F379 HydrophobicContact CD2-CD2 3.83Å; Y220-F379 AromaticContact CD2-CE1 3.55Å; Y220-F379 HydrophobicContact CD2-CE1 3.55Å; Y220-F379 AromaticContact CD2-CE2 3.91Å; Y220-F379 HydrophobicContact CD2-CE2 3.91Å; Y220-F379 AromaticContact CD2-CG 3.6Å; Y220-F379 HydrophobicContact CD2-CG 3.6Å; Y220-F379 AromaticContact CD2-CZ 3.77Å; Y220-F379 HydrophobicContact CD2-CZ 3.77Å; Y220-F379 HydrophobicContact CE2-CB 4.21Å; Y220-F379 AromaticContact CE2-CD1 3.98Å; Y220-F379 HydrophobicContact CE2-CD1 3.98Å; Y220-F379 HydrophobicContact CE2-CD2 4.47Å; Y220-F379 HydrophobicContact CE2-CE1 4.47Å; Y220-F379 AromaticContact CE2-CG 3.97Å; Y220-F379 HydrophobicContact CE2-CG 3.97Å; Y220-F379 HydrophobicContact CG-CD1 4.46Å; Y220-F379 HydrophobicContact CG-CE1 4.15Å; Y220-F379 HydrophobicContact CG-CZ 4.22Å
221	I	98.2	Very high	98.1	Very high	20 Å²	20	39 Å²	39	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-44.1	177.5	-70.8	170.3	0	0	0	111.2	D217 I218 G223 Y224 L225 V335 F339 I367 C368	D217-I221 WeakPolarHBondContact O-CG1 3.41Å; D217-I221 PolarHBondContact O-N 2.66Å; I218-I221 PolarHBondContact O-N 3.37Å; I221-G223 PolarHBondContact O-N 2.77Å; I221-Y224 PolarHBondContact O-N 3.43Å; I221-Y224 VanDerWaalsContact O-N 3.11Å; I221-L225 HydrophobicContact CG2-CD1 4.47Å; I221-V335 HydrophobicContact CG2-CB 4.3Å; I221-V335 HydrophobicContact CG2-CG1 3.48Å; I221-V335 VanDerWaalsContact CG2-CG1 3.48Å; I221-V335 HydrophobicContact CG2-CG2 3.75Å; I221-F339 HydrophobicContact CB-CE1 4.4Å; I221-F339 HydrophobicContact CB-CZ 4.13Å; I221-F339 HydrophobicContact CD1-CE1 3.68Å; I221-F339 HydrophobicContact CD1-CZ 4.25Å; I221-F339 HydrophobicContact CG2-CE1 3.99Å; I221-F339 HydrophobicContact CG2-CZ 3.69Å; I221-I367 HydrophobicContact CD1-CD1 4Å; I221-I367 HydrophobicContact CD1-CG1 4.22Å; I221-C368 VanDerWaalsContact CD1-SG 3.5Å
222	M	98.5	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-33.5	177.7	-66.6	-61	-74.8	0	0	111.6	C190 L194 F203 I218 I219 Y220 Y224 L225 F226 L246 F339	C190-M222 HydrophobicContact CB-CE 4.12Å; C190-M222 HydrophobicContact CB-CG 4.49Å; C190-M222 HydrophobicContact CB-SD 3.88Å; L194-M222 HydrophobicContact CD1-SD 4.18Å; L194-M222 HydrophobicContact CD2-CE 4.29Å; L194-M222 HydrophobicContact CD2-SD 4.27Å; L194-M222 HydrophobicContact CG-SD 4.36Å; F203-M222 HydrophobicContact CD1-CE 3.56Å; F203-M222 HydrophobicContact CE1-CE 3.8Å; I218-M222 HydrophobicContact CG2-CG 4.21Å; I218-M222 WeakPolarHBondContact O-CB 3.24Å; I218-M222 WeakPolarHBondContact O-CG 3.4Å; I218-M222 PolarHBondContact O-N 2.83Å; I219-M222 PolarHBondContact O-N 3.47Å; Y220-M222 VanDerWaalsContact C-N 3.35Å; Y220-M222 PolarHBondContact O-N 2.95Å; M222-Y224 PolarHBondContact O-N 3.48Å; M222-L225 PolarHBondContact O-N 3.3Å; M222-L225 VanDerWaalsContact O-N 3.15Å; M222-F226 HydrophobicContact CE-CD2 4.23Å; M222-F226 HydrophobicContact CE-CE2 3.45Å; M222-F226 VanDerWaalsContact CE-CE2 3.45Å; M222-F226 HydrophobicContact CE-CZ 4.19Å; M222-F226 WeakPolarHBondContact O-CD2 3.15Å; M222-F226 PolarHBondContact O-N 3.43Å; M222-F226 HydrophobicContact SD-CE2 4.46Å; M222-L246 HydrophobicContact CB-CD2 4.47Å; M222-L246 HydrophobicContact CG-CD2 4.49Å; M222-F339 HydrophobicContact SD-CE2 4.25Å
223	G	97.6	Very high	98.1	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	17%	0.167	S	C	.	.	H	α-helix	trans	-62	-24.8	174.2	0	0	0	0	0	114.7	I219 Y220 I221	I219-G223 PolarHBondContact O-N 3.43Å; Y220-G223 PolarHBondContact O-N 3Å; Y220-G223 VanDerWaalsContact O-N 3.13Å; I221-G223 PolarHBondContact O-N 2.77Å
224	Y	96.8	Very high	98.1	Very high	143 Å²	143	31 Å²	31	56%	0.561	15%	0.147	S	C	*	.	H	α-helix	trans	-85.1	-19	174.8	-83.9	-85.1	0	0	0	114.1	Y220 I221 M222	Y220-Y224 HydrophobicContact CD1-CD2 4.46Å; Y220-Y224 HydrophobicContact CD1-CE2 4.15Å; Y220-Y224 HydrophobicContact CE1-CD2 4.27Å; Y220-Y224 AromaticContact CE1-CE2 3.57Å; Y220-Y224 HydrophobicContact CE1-CE2 3.57Å; Y220-Y224 AromaticContact CE2-CE2 4Å; Y220-Y224 HydrophobicContact CE2-CE2 4Å; Y220-Y224 AromaticContact CZ-CE2 3.5Å; Y220-Y224 WeakPolarHBondContact O-CD2 3.34Å; Y220-Y224 PolarHBondContact O-N 2.9Å; Y220-Y224 PolarHBondContact OH-OH 3.19Å; I221-Y224 PolarHBondContact O-N 3.43Å; I221-Y224 VanDerWaalsContact O-N 3.11Å; M222-Y224 PolarHBondContact O-N 3.48Å
225	L	98.4	Very high	98	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-97.8	-6.2	-175.3	-65.1	-177.8	0	0	0	113.2	L194 I221 M222 L251 L252 L332 V335	L194-L225 HydrophobicContact CD1-CD1 3.61Å; L194-L225 HydrophobicContact CD2-CB 4.45Å; L194-L225 HydrophobicContact CD2-CD1 3.67Å; L194-L225 HydrophobicContact CG-CD1 4.3Å; I221-L225 HydrophobicContact CG2-CD1 4.47Å; M222-L225 PolarHBondContact O-N 3.3Å; M222-L225 VanDerWaalsContact O-N 3.15Å; L225-L251 HydrophobicContact CB-CD1 4.41Å; L225-L251 WeakPolarHBondContact O-CD1 3.49Å; L225-L252 PolarHBondContact O-N 2.95Å; L225-L332 HydrophobicContact CD1-CD1 4.33Å; L225-V335 HydrophobicContact CD1-CB 3.9Å; L225-V335 HydrophobicContact CD1-CG1 3.75Å; L225-V335 HydrophobicContact CD1-CG2 4.05Å; L225-V335 HydrophobicContact CD2-CG2 4.46Å
226	F	98.7	Very high	98	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151	-178.9	-72.5	-96.9	0	0	0	110.4	L194 L197 F203 M222 E228 I229 C248 N250 L251	L194-F226 HydrophobicContact CD2-CE2 3.97Å; L194-F226 HydrophobicContact CD2-CZ 4.41Å; L197-F226 HydrophobicContact CD1-CE1 4.18Å; L197-F226 HydrophobicContact CD1-CZ 3.92Å; F203-F226 HydrophobicContact CB-CE1 4.14Å; F203-F226 HydrophobicContact CB-CZ 3.93Å; M222-F226 HydrophobicContact CE-CD2 4.23Å; M222-F226 HydrophobicContact CE-CE2 3.45Å; M222-F226 VanDerWaalsContact CE-CE2 3.45Å; M222-F226 HydrophobicContact CE-CZ 4.19Å; M222-F226 WeakPolarHBondContact O-CD2 3.15Å; M222-F226 PolarHBondContact O-N 3.43Å; M222-F226 HydrophobicContact SD-CE2 4.46Å; F226-E228 VanDerWaalsContact C-N 3.33Å; F226-E228 PolarHBondContact O-N 3.37Å; F226-I229 HydrophobicContact CB-CG2 4.08Å; F226-C248 HydrophobicContact CB-CB 3.94Å; F226-C248 HydrophobicContact CD1-CB 3.35Å; F226-C248 HydrophobicContact CD2-CB 3.58Å; F226-C248 HydrophobicContact CE1-CB 3.59Å; F226-C248 HydrophobicContact CE2-CB 3.83Å; F226-C248 HydrophobicContact CG-CB 3.33Å; F226-C248 HydrophobicContact CZ-CB 3.83Å; F226-N250 WeakPolarHBondContact CA-O 3.49Å; F226-L251 HydrophobicContact CD1-CB 4.15Å; F226-L251 HydrophobicContact CD2-CD1 4.33Å; F226-L251 HydrophobicContact CE1-CB 3.73Å; F226-L251 HydrophobicContact CE1-CD1 4.07Å; F226-L251 HydrophobicContact CE2-CD1 3.79Å; F226-L251 HydrophobicContact CZ-CB 4.17Å; F226-L251 HydrophobicContact CZ-CD1 3.66Å
227	E	98.5	Very high	97.9	Very high	115 Å²	115	37.6 Å²	37.6	54%	0.537	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-42.7	178.6	-170	-176.3	166.1	0	0	111.6	K249 N250 L252	E227-K249 PolarHBondContact N-O 2.97Å; E227-K249 VanDerWaalsContact N-O 3.1Å; E227-N250 HydrophobicContact CB-CB 3.88Å; E227-N250 PolarHBondContact N-O 2.95Å; E227-N250 WeakPolarHBondContact OE2-CB 3.41Å; E227-N250 PolarHBondContact OE2-ND2 2.9Å; E227-L252 HydrophobicContact CB-CD2 4.3Å
228	E	98.1	Very high	97.8	Very high	73 Å²	73	47 Å²	47	34%	0.341	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.5	177.4	-61.2	178.1	130.1	0	0	110.2	F226 Y230 K249	F226-E228 VanDerWaalsContact C-N 3.33Å; F226-E228 PolarHBondContact O-N 3.37Å; E228-Y230 HydrophobicContact CB-CE2 3.83Å; E228-Y230 VanDerWaalsContact CD-OH 3.23Å; E228-Y230 PolarHBondContact OE1-OH 3.2Å; E228-Y230 PolarHBondContact OE2-OH 3.36Å; E228-K249 HydrophobicContact CB-CB 4.37Å; E228-K249 PolarHBondContact N-O 3.4Å; E228-K249 PolarHBondContact O-N 3.2Å; E228-K249 WeakPolarHBondContact OE2-CD 3.48Å; E228-K249 WeakPolarHBondContact OE2-CE 3.47Å; E228-K249 IonicContact OE2-NZ 3.83Å; E228-K249 PolarHBondContact OE2-NZ 3.19Å
229	I	98.1	Very high	97.7	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.195	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.8	169.2	64.8	162.3	0	0	0	110.9	I219 F226 L246 V247 C248	I219-I229 HydrophobicContact CG2-CD1 3.95Å; F226-I229 HydrophobicContact CB-CG2 4.08Å; I229-L246 HydrophobicContact CB-CD1 4.26Å; I229-V247 CarbonylContact C-O 3.21Å; I229-V247 VanDerWaalsContact CA-O 3.27Å; I229-V247 WeakPolarHBondContact CA-O 3.25Å; I229-C248 HydrophobicContact CG2-CB 4.02Å
230	Y	98.3	Very high	97.7	Very high	81 Å²	81	51.9 Å²	51.9	32%	0.318	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.1	176.2	-51.2	-93.8	0	0	0	109.9	F10 E228 L246 V247	F10-Y230 HydrophobicContact CE1-CD1 4.44Å; F10-Y230 AromaticContact CE1-CD2 3.55Å; F10-Y230 HydrophobicContact CE1-CD2 3.55Å; F10-Y230 AromaticContact CE1-CE2 3.78Å; F10-Y230 HydrophobicContact CE1-CE2 3.78Å; F10-Y230 AromaticContact CE1-CG 3.91Å; F10-Y230 HydrophobicContact CE1-CG 3.91Å; F10-Y230 AromaticContact CZ-CD2 3.98Å; F10-Y230 HydrophobicContact CZ-CD2 3.98Å; F10-Y230 HydrophobicContact CZ-CG 4.05Å; E228-Y230 HydrophobicContact CB-CE2 3.83Å; E228-Y230 VanDerWaalsContact CD-OH 3.23Å; E228-Y230 PolarHBondContact OE1-OH 3.2Å; E228-Y230 PolarHBondContact OE2-OH 3.36Å; Y230-L246 CarbonylContact O-C 3.5Å; Y230-L246 WeakPolarHBondContact O-CA 3.37Å; Y230-V247 HydrophobicContact CD2-CB 4.44Å; Y230-V247 HydrophobicContact CD2-CG1 4.36Å; Y230-V247 PolarHBondContact N-O 2.97Å; Y230-V247 PolarHBondContact O-N 2.84Å
231	I	98.2	Very high	97.5	Very high	18 Å²	18	53.5 Å²	53.5	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116	166.7	-59.9	-175.6	0	0	0	107.7	I219 R244 Y245 L246 M386 F390	I219-I231 HydrophobicContact CD1-CD1 3.7Å; I219-I231 HydrophobicContact CG1-CD1 4.26Å; I219-I231 HydrophobicContact CG2-CD1 4.1Å; I231-R244 HydrophobicContact CG2-CB 4.29Å; I231-R244 HydrophobicContact CG2-CG 3.92Å; I231-Y245 CarbonylContact C-O 3.17Å; I231-Y245 WeakPolarHBondContact CA-O 3.32Å; I231-L246 HydrophobicContact CG1-CD1 4.07Å; I231-M386 HydrophobicContact CB-SD 3.46Å; I231-M386 WeakPolarHBondContact CB-SD 3.05Å; I231-M386 HydrophobicContact CD1-CE 3.91Å; I231-M386 HydrophobicContact CD1-SD 3.53Å; I231-M386 VanDerWaalsContact CD1-SD 3.53Å; I231-M386 HydrophobicContact CG1-SD 3.94Å; I231-M386 HydrophobicContact CG2-SD 3.65Å; I231-F390 HydrophobicContact CG2-CE2 3.95Å; I231-F390 HydrophobicContact CG2-CZ 4.41Å
232	I	97.7	Very high	97.5	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.149	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.1	-173.6	63.5	156.8	0	0	0	111.7	I6 I9 F10 R244 Y245 V247	I6-I232 HydrophobicContact CG1-CD1 4.03Å; I6-I232 HydrophobicContact CG2-CD1 4.15Å; I9-I232 HydrophobicContact CD1-CD1 4.13Å; F10-I232 HydrophobicContact CE2-CD1 3.72Å; F10-I232 HydrophobicContact CZ-CD1 4.38Å; F10-I232 HydrophobicContact CZ-CG2 4.31Å; I232-R244 CarbonylContact O-C 3.52Å; I232-R244 WeakPolarHBondContact O-CA 3.47Å; I232-R244 WeakPolarHBondContact O-CB 2.92Å; I232-Y245 PolarHBondContact N-O 2.94Å; I232-Y245 PolarHBondContact O-N 3.18Å; I232-V247 HydrophobicContact CD1-CG2 4.11Å; I232-V247 HydrophobicContact CG1-CG2 3.99Å
233	K	98	Very high	97.4	Very high	53 Å²	53	53.9 Å²	53.9	23%	0.23	27%	0.269	C	S	.	.			trans	-115.9	99.7	165.6	-174.2	176.6	-178.3	76.7	0	108.6	S237 R238 N241 E243 F390	K233-S237 PolarHBondContact NZ-OG 3.23Å; K233-R238 WeakPolarHBondContact CE-O 3.42Å; K233-R238 PolarHBondContact NZ-O 2.94Å; K233-N241 PolarHBondContact NZ-O 2.77Å; K233-N241 PolarHBondContact NZ-OD1 3.27Å; K233-E243 PolarHBondContact NZ-O 3.31Å; K233-F390 HydrophobicContact CB-CD1 4.3Å; K233-F390 HydrophobicContact CB-CE1 3.48Å; K233-F390 VanDerWaalsContact CB-CE1 3.48Å; K233-F390 HydrophobicContact CB-CZ 4.19Å; K233-F390 HydrophobicContact CD-CD1 4.45Å; K233-F390 HydrophobicContact CD-CE1 4.42Å
234	P	97.5	Very high	97.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.255	C	S	.	.			trans	-63.8	150.2	178.8	28.4	-35.1	0	0	0	110	N5 I6 I9 T236 S237 Y245	N5-P234 HydrophobicContact CB-CB 4.47Å; N5-P234 VanDerWaalsContact OD1-CB 3.3Å; N5-P234 WeakPolarHBondContact OD1-CB 3.39Å; I6-P234 HydrophobicContact CD1-CG 4.11Å; I6-P234 HydrophobicContact CG1-CB 3.97Å; I6-P234 HydrophobicContact CG1-CG 3.96Å; I9-P234 HydrophobicContact CD1-CB 4.48Å; P234-T236 PolarHBondContact O-N 3.26Å; P234-S237 WeakPolarHBondContact O-CA 3.47Å; P234-S237 VanDerWaalsContact O-CB 3.26Å; P234-S237 WeakPolarHBondContact O-CB 3.27Å; P234-S237 PolarHBondContact O-N 3.19Å; P234-Y245 HydrophobicContact CG-CD2 3.92Å; P234-Y245 HydrophobicContact CG-CE2 3.97Å
235	V	96.5	Very high	97.5	Very high	113 Å²	113	45.8 Å²	45.8	69%	0.685	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.3	179.5	-63.1	0	0	0	0	113.2	N5 S237 W426	N5-V235 VanDerWaalsContact OD1-CG2 3.27Å; N5-V235 WeakPolarHBondContact OD1-CG2 3.35Å; N5-V235 PolarHBondContact OD1-N 2.98Å; N5-V235 VanDerWaalsContact OD1-N 3.17Å; V235-S237 VanDerWaalsContact C-N 3.3Å; V235-W426 HydrophobicContact CG2-CH2 4.17Å; V235-W426 HydrophobicContact CG2-CZ2 3.75Å
236	T	97	Very high	97.5	Very high	41 Å²	41	45.6 Å²	45.6	25%	0.252	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.9	172	47.7	0	0	0	0	113.8	K2 N5 P234 W426	K2-T236 WeakPolarHBondContact CA-OG1 3.32Å; N5-T236 HydrophobicContact CB-CG2 3.86Å; N5-T236 PolarHBondContact OD1-N 3.41Å; N5-T236 PolarHBondContact OD1-OG1 3.2Å; N5-T236 VanDerWaalsContact OD1-OG1 3.06Å; P234-T236 PolarHBondContact O-N 3.26Å; T236-W426 HydrophobicContact CG2-CH2 3.26Å; T236-W426 HydrophobicContact CG2-CZ2 4.12Å; T236-W426 HydrophobicContact CG2-CZ3 3.69Å
237	S	97.1	Very high	97.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.021	23%	0.226	C	C	.	.	S	Bend	trans	-84.8	135.8	164.5	-174.3	0	0	0	0	109.2	K233 P234 V235 N241 E243	K233-S237 PolarHBondContact NZ-OG 3.23Å; P234-S237 WeakPolarHBondContact O-CA 3.47Å; P234-S237 VanDerWaalsContact O-CB 3.26Å; P234-S237 WeakPolarHBondContact O-CB 3.27Å; P234-S237 PolarHBondContact O-N 3.19Å; V235-S237 VanDerWaalsContact C-N 3.3Å; S237-N241 PolarHBondContact OG-OD1 3.45Å; S237-E243 VanDerWaalsContact CB-OE2 3.32Å; S237-E243 WeakPolarHBondContact CB-OE2 3.41Å; S237-E243 PolarHBondContact OG-O 3.5Å; S237-E243 PolarHBondContact OG-OE2 2.8Å
238	R	96.3	Very high	97.6	Very high	197 Å²	197	39.9 Å²	39.9	74%	0.743	20%	0.201	S	C	*	.			trans	-61.6	132.1	-176.3	-67.2	-178	-179.8	176.8	0	109.7	K233 A240 N241	K233-R238 WeakPolarHBondContact CE-O 3.42Å; K233-R238 PolarHBondContact NZ-O 2.94Å; R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.42Å; R238-N241 PolarHBondContact O-N 2.96Å; R238-N241 PolarHBondContact O-OD1 3.04Å
239	P	96.7	Very high	97.6	Very high	90 Å²	90	39.2 Å²	39.2	58%	0.584	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.5	-169.7	25.1	-35.3	0	0	0	113.7	A397	P239-A397 HydrophobicContact CB-CB 3.79Å; P239-A397 HydrophobicContact CG-CB 4.23Å
240	A	96.6	Very high	97.6	Very high	16 Å²	16	39.3 Å²	39.3	13%	0.132	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.9	-176.6	0	0	0	0	0	115.1	R238 Q394 A397 L398 L401	R238-A240 VanDerWaalsContact C-N 3.26Å; R238-A240 PolarHBondContact O-N 3.42Å; A240-Q394 WeakPolarHBondContact O-CG 3.44Å; A240-Q394 PolarHBondContact O-NE2 2.76Å; A240-A397 HydrophobicContact CB-CB 4Å; A240-L398 HydrophobicContact CB-CD2 3.95Å; A240-L398 HydrophobicContact CB-CG 4.15Å; A240-L401 HydrophobicContact CB-CD1 3.34Å; A240-L401 HydrophobicContact CB-CG 4.45Å
241	N	95.5	Very high	97.6	Very high	53 Å²	53	35.7 Å²	35.7	28%	0.283	18%	0.184	S	C	.	.	S	Bend	trans	-91.6	162.5	177.6	74.9	8.2	0	0	0	111.2	K233 S237 R238 E243	K233-N241 PolarHBondContact NZ-O 2.77Å; K233-N241 PolarHBondContact NZ-OD1 3.27Å; S237-N241 PolarHBondContact OG-OD1 3.45Å; R238-N241 PolarHBondContact O-N 2.96Å; R238-N241 PolarHBondContact O-OD1 3.04Å; N241-E243 PolarHBondContact O-N 2.79Å; N241-E243 WeakPolarHBondContact OD1-CB 3.4Å; N241-E243 PolarHBondContact OD1-N 3.09Å
242	S	96.9	Very high	97.6	Very high	15 Å²	15	39.3 Å²	39.3	11%	0.105	20%	0.202	C	C	.	.			trans	-78.9	-2.7	179.6	-57.3	0	0	0	0	113.8	F208 D209 R244 Q394	F208-S242 CarbonylContact C-O 3.59Å; F208-S242 VanDerWaalsContact CA-O 3.3Å; F208-S242 WeakPolarHBondContact CA-O 3.19Å; D209-S242 VanDerWaalsContact CG-CB 3.47Å; D209-S242 WeakPolarHBondContact OD1-CB 3.37Å; D209-S242 PolarHBondContact OD1-OG 3.41Å; D209-S242 WeakPolarHBondContact OD2-CB 3.31Å; D209-S242 PolarHBondContact OD2-OG 3.37Å; S242-R244 PolarHBondContact O-N 2.95Å; S242-R244 PolarHBondContact O-NE 3.23Å; S242-R244 PolarHBondContact O-NH2 3.36Å; S242-Q394 PolarHBondContact OG-NE2 3.4Å; S242-Q394 VanDerWaalsContact OG-NE2 3.11Å
243	E	97.6	Very high	97.6	Very high	12 Å²	12	39 Å²	39	6%	0.056	20%	0.203	C	C	.	.			trans	-60.2	127.7	-177.2	-178.9	-176	-108.8	0	0	111.3	K2 K206 L207 F208 K233 S237 N241 Y245	K2-E243 WeakPolarHBondContact CE-OE2 3.42Å; K2-E243 IonicContact NZ-OE1 3.81Å; K2-E243 PolarHBondContact NZ-OE1 3.17Å; K2-E243 IonicContact NZ-OE2 3.9Å; K2-E243 PolarHBondContact NZ-OE2 2.97Å; K206-E243 HydrophobicContact CD-CG 3.98Å; K206-E243 WeakPolarHBondContact CD-OE1 3.44Å; K206-E243 WeakPolarHBondContact CE-OE1 3.26Å; K206-E243 HydrophobicContact CG-CG 3.97Å; K206-E243 IonicContact NZ-OE1 3.69Å; K206-E243 PolarHBondContact NZ-OE1 3.25Å; L207-E243 WeakPolarHBondContact O-CA 3.27Å; F208-E243 HydrophobicContact CD1-CB 4.39Å; F208-E243 HydrophobicContact CE1-CB 4.4Å; K233-E243 PolarHBondContact NZ-O 3.31Å; S237-E243 VanDerWaalsContact CB-OE2 3.32Å; S237-E243 WeakPolarHBondContact CB-OE2 3.41Å; S237-E243 PolarHBondContact OG-O 3.5Å; S237-E243 PolarHBondContact OG-OE2 2.8Å; N241-E243 PolarHBondContact O-N 2.79Å; N241-E243 WeakPolarHBondContact OD1-CB 3.4Å; N241-E243 PolarHBondContact OD1-N 3.09Å; E243-Y245 HydrophobicContact CG-CE2 4.17Å
244	R	97.6	Very high	97.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	175.2	172.8	64.3	-157.3	71.9	-178.1	7.2	108.8	L207 F208 D209 I231 I232 S242	L207-R244 HydrophobicContact CB-CG 4.02Å; L207-R244 PolarHBondContact N-O 3.48Å; L207-R244 PolarHBondContact O-N 3.31Å; F208-R244 WeakPolarHBondContact O-CD 3.42Å; F208-R244 WeakPolarHBondContact O-CG 3.37Å; F208-R244 PolarHBondContact O-NE 2.94Å; D209-R244 IonicContact OD1-CZ 3.98Å; D209-R244 IonicContact OD1-NH2 3.2Å; D209-R244 PolarHBondContact OD1-NH2 3.19Å; I231-R244 HydrophobicContact CG2-CB 4.29Å; I231-R244 HydrophobicContact CG2-CG 3.92Å; I232-R244 CarbonylContact O-C 3.52Å; I232-R244 WeakPolarHBondContact O-CA 3.47Å; I232-R244 WeakPolarHBondContact O-CB 2.92Å; S242-R244 PolarHBondContact O-N 2.95Å; S242-R244 PolarHBondContact O-NE 3.23Å; S242-R244 PolarHBondContact O-NH2 3.36Å
245	Y	98.7	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.9	-177.2	-70.8	-92.7	0	0	0	110.3	K2 I6 F36 D166 L204 T205 K206 I231 I232 P234 E243	K2-Y245 HydrophobicContact CD-CE2 4.32Å; K2-Y245 WeakPolarHBondContact CD-OH 3.27Å; K2-Y245 PolarHBondContact NZ-OH 3.42Å; I6-Y245 HydrophobicContact CD1-CD1 4.09Å; I6-Y245 HydrophobicContact CD1-CD2 3.94Å; I6-Y245 HydrophobicContact CD1-CE1 4.33Å; I6-Y245 HydrophobicContact CD1-CE2 4.18Å; I6-Y245 HydrophobicContact CD1-CG 3.9Å; F36-Y245 HydrophobicContact CE2-CE1 4.19Å; F36-Y245 AromaticContact CZ-CE1 3.88Å; F36-Y245 HydrophobicContact CZ-CE1 3.88Å; D166-Y245 WeakPolarHBondContact OD1-CE1 3.42Å; D166-Y245 PolarHBondContact OD1-OH 3.41Å; L204-Y245 HydrophobicContact CD1-CD1 3.89Å; L204-Y245 HydrophobicContact CD1-CG 4.18Å; L204-Y245 HydrophobicContact CD2-CD1 4.48Å; L204-Y245 HydrophobicContact CG-CD1 4.1Å; T205-Y245 CarbonylContact O-C 3.48Å; T205-Y245 VanDerWaalsContact O-CA 3.29Å; T205-Y245 WeakPolarHBondContact O-CA 3.3Å; K206-Y245 HydrophobicContact CB-CD1 4.24Å; K206-Y245 HydrophobicContact CB-CE1 3.86Å; K206-Y245 WeakPolarHBondContact CE-OH 3.48Å; K206-Y245 HydrophobicContact CG-CE1 4.38Å; I231-Y245 CarbonylContact C-O 3.17Å; I231-Y245 WeakPolarHBondContact CA-O 3.32Å; I232-Y245 PolarHBondContact N-O 2.94Å; I232-Y245 PolarHBondContact O-N 3.18Å; P234-Y245 HydrophobicContact CG-CD2 3.92Å; P234-Y245 HydrophobicContact CG-CE2 3.97Å; E243-Y245 HydrophobicContact CG-CE2 4.17Å
246	L	98.7	Very high	97.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.9	163.2	172.7	65.4	0	0	0	108.1	L204 T205 L207 M222 I229 Y230 I231	L204-L246 WeakPolarHBondContact CA-O 3.36Å; T205-L246 HydrophobicContact CG2-CB 3.9Å; T205-L246 HydrophobicContact CG2-CD2 4.16Å; T205-L246 HydrophobicContact CG2-CG 4.4Å; T205-L246 PolarHBondContact N-O 3.31Å; T205-L246 PolarHBondContact O-N 3.17Å; L207-L246 HydrophobicContact CD1-CB 3.7Å; L207-L246 HydrophobicContact CG-CB 4.19Å; M222-L246 HydrophobicContact CB-CD2 4.47Å; M222-L246 HydrophobicContact CG-CD2 4.49Å; I229-L246 HydrophobicContact CB-CD1 4.26Å; Y230-L246 CarbonylContact O-C 3.5Å; Y230-L246 WeakPolarHBondContact O-CA 3.37Å; I231-L246 HydrophobicContact CG1-CD1 4.07Å
247	V	98.8	Very high	97.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.9	175.9	178.4	0	0	0	0	107	F10 M13 F14 L204 I229 Y230 I232	F10-V247 HydrophobicContact CD2-CG1 4.32Å; F10-V247 HydrophobicContact CE1-CG1 4.06Å; F10-V247 HydrophobicContact CE2-CB 4.13Å; F10-V247 HydrophobicContact CE2-CG1 3.84Å; F10-V247 HydrophobicContact CE2-CG2 3.58Å; F10-V247 HydrophobicContact CZ-CB 3.91Å; F10-V247 HydrophobicContact CZ-CG1 3.7Å; F10-V247 HydrophobicContact CZ-CG2 3.78Å; M13-V247 HydrophobicContact CE-CG1 3.79Å; F14-V247 HydrophobicContact CZ-CG1 3.96Å; L204-V247 HydrophobicContact CD1-CG2 3.58Å; I229-V247 CarbonylContact C-O 3.21Å; I229-V247 VanDerWaalsContact CA-O 3.27Å; I229-V247 WeakPolarHBondContact CA-O 3.25Å; Y230-V247 HydrophobicContact CD2-CB 4.44Å; Y230-V247 HydrophobicContact CD2-CG1 4.36Å; Y230-V247 PolarHBondContact N-O 2.97Å; Y230-V247 PolarHBondContact O-N 2.84Å; I232-V247 HydrophobicContact CD1-CG2 4.11Å; I232-V247 HydrophobicContact CG1-CG2 3.99Å
248	C	98.9	Very high	97.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.9	174.5	-41.7	0	0	0	0	109.4	H202 F203 F226 I229	H202-C248 WeakPolarHBondContact CA-O 3.35Å; F203-C248 HydrophobicContact CB-CB 4.06Å; F203-C248 PolarHBondContact N-O 2.84Å; F203-C248 PolarHBondContact O-N 3.29Å; F226-C248 HydrophobicContact CB-CB 3.94Å; F226-C248 HydrophobicContact CD1-CB 3.35Å; F226-C248 HydrophobicContact CD2-CB 3.58Å; F226-C248 HydrophobicContact CE1-CB 3.59Å; F226-C248 HydrophobicContact CE2-CB 3.83Å; F226-C248 HydrophobicContact CG-CB 3.33Å; F226-C248 HydrophobicContact CZ-CB 3.83Å; I229-C248 HydrophobicContact CG2-CB 4.02Å
249	K	98.8	Very high	97.1	Very high	58 Å²	58	34.1 Å²	34.1	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	-175.8	175	179.5	164.4	-156	0	109.9	M13 E227 E228	M13-K249 HydrophobicContact SD-CB 3.95Å; M13-K249 HydrophobicContact SD-CD 3.69Å; M13-K249 HydrophobicContact SD-CG 3.63Å; E227-K249 PolarHBondContact N-O 2.97Å; E227-K249 VanDerWaalsContact N-O 3.1Å; E228-K249 HydrophobicContact CB-CB 4.37Å; E228-K249 PolarHBondContact N-O 3.4Å; E228-K249 PolarHBondContact O-N 3.2Å; E228-K249 WeakPolarHBondContact OE2-CD 3.48Å; E228-K249 WeakPolarHBondContact OE2-CE 3.47Å; E228-K249 IonicContact OE2-NZ 3.83Å; E228-K249 PolarHBondContact OE2-NZ 3.19Å
250	N	98.7	Very high	97.1	Very high	41 Å²	41	29.9 Å²	29.9	22%	0.219	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	88.8	176.2	-63.3	-18.1	0	0	0	113.5	G200 G201 H202 F226 E227 L252	G200-N250 PolarHBondContact O-OD1 3.29Å; G201-N250 CarbonylContact O-C 3.57Å; G201-N250 WeakPolarHBondContact O-CA 3.3Å; G201-N250 PolarHBondContact O-N 3.49Å; H202-N250 PolarHBondContact CE1-OD1 3.4Å; H202-N250 PolarHBondContact ND1-N 3.38Å; F226-N250 WeakPolarHBondContact CA-O 3.49Å; E227-N250 HydrophobicContact CB-CB 3.88Å; E227-N250 PolarHBondContact N-O 2.95Å; E227-N250 WeakPolarHBondContact OE2-CB 3.41Å; E227-N250 PolarHBondContact OE2-ND2 2.9Å; N250-L252 PolarHBondContact O-N 2.69Å
251	L	98.8	Very high	96.9	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	121.3	171.6	179.7	72.5	0	0	0	110.2	L194 L197 G200 G201 L225 F226 S253 L332	L194-L251 HydrophobicContact CD2-CD1 3.79Å; L197-L251 HydrophobicContact CB-CD2 3.79Å; G200-L251 PolarHBondContact N-O 3.48Å; G201-L251 PolarHBondContact O-N 3Å; L225-L251 HydrophobicContact CB-CD1 4.41Å; L225-L251 WeakPolarHBondContact O-CD1 3.49Å; F226-L251 HydrophobicContact CD1-CB 4.15Å; F226-L251 HydrophobicContact CD2-CD1 4.33Å; F226-L251 HydrophobicContact CE1-CB 3.73Å; F226-L251 HydrophobicContact CE1-CD1 4.07Å; F226-L251 HydrophobicContact CE2-CD1 3.79Å; F226-L251 HydrophobicContact CZ-CB 4.17Å; F226-L251 HydrophobicContact CZ-CD1 3.66Å; L251-S253 PolarHBondContact O-N 3.15Å; L251-L332 HydrophobicContact CD1-CD1 4.28Å; L251-L332 HydrophobicContact CD2-CD2 4.31Å
252	L	98.4	Very high	96.6	Very high	93 Å²	93	27.6 Å²	27.6	49%	0.487	15%	0.154	S	C	.	.			trans	-82.7	94.8	173.8	-58	177.8	0	0	0	108.5	L225 E227 N250	L225-L252 PolarHBondContact O-N 2.95Å; E227-L252 HydrophobicContact CB-CD2 4.3Å; N250-L252 PolarHBondContact O-N 2.69Å
253	S	96.4	Very high	96.1	Very high	23 Å²	23	31 Å²	31	16%	0.161	18%	0.175	C	C	.	.			trans	-118	133.1	177.8	-177.1	0	0	0	0	110.4	L251 L255 L332	L251-S253 PolarHBondContact O-N 3.15Å; S253-L255 PolarHBondContact O-N 3.24Å; S253-L255 WeakPolarHBondContact OG-CB 3.46Å; S253-L255 PolarHBondContact OG-N 2.85Å; S253-L332 WeakPolarHBondContact OG-CD2 3.21Å
254	P	95.4	Very high	95.3	Very high	76 Å²	76	32.9 Å²	32.9	49%	0.494	19%	0.193	S	C	.	.	S	Bend	trans	-73.3	-14.4	169.8	31.8	-36.2	0	0	0	113	E328 S329	P254-E328 WeakPolarHBondContact CG-O 3.28Å; P254-S329 WeakPolarHBondContact CG-O 3.27Å
255	L	95	Very high	94.1	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.073	20%	0.198	C	C	.	.	S	Bend	trans	-77.2	158.1	178.8	-55.6	174.7	0	0	0	110.7	P199 S253 T257 A259 E328	P199-L255 WeakPolarHBondContact CG-O 3.33Å; S253-L255 PolarHBondContact O-N 3.24Å; S253-L255 WeakPolarHBondContact OG-CB 3.46Å; S253-L255 PolarHBondContact OG-N 2.85Å; L255-T257 WeakPolarHBondContact CB-O 3.41Å; L255-A259 HydrophobicContact CD1-CB 4.05Å; L255-E328 HydrophobicContact CD2-CB 4.02Å; L255-E328 HydrophobicContact CD2-CG 3.8Å
256	N	94.1	Very high	92.4	Very high	148 Å²	148	43.2 Å²	43.2	79%	0.791	24%	0.24	S	C	*	.	S	Bend	trans	-88.4	-5	169.2	-66.1	-52.9	0	0	0	113.2
257	T	95.1	Very high	90.5	Very high	56 Å²	56	46.3 Å²	46.3	34%	0.344	26%	0.262	S	S	.	.	S	Bend	trans	-134.9	174.6	-172	53.1	0	0	0	0	110.4	N157 L255	N157-T257 HydrophobicContact CB-CG2 4.31Å; N157-T257 WeakPolarHBondContact O-CB 3.48Å; L255-T257 WeakPolarHBondContact CB-O 3.41Å
258	M	96.4	Very high	88.3	Confident	7 Å²	7	48 Å²	48	3%	0.034	27%	0.274	C	S	.	.			trans	-57.6	153.4	166.6	72.5	-168.2	-92.1	0	0	110.7	A148 I151 N157 A158 I195 N196 L197	A148-M258 HydrophobicContact CB-CE 3.98Å; I151-M258 HydrophobicContact CG2-CE 4.33Å; I151-M258 HydrophobicContact CG2-SD 3.97Å; N157-M258 VanDerWaalsContact O-CG 3.32Å; N157-M258 WeakPolarHBondContact O-CG 3.48Å; N157-M258 PolarHBondContact O-N 3.39Å; A158-M258 PolarHBondContact O-N 2.79Å; I195-M258 WeakPolarHBondContact O-CE 3.27Å; N196-M258 HydrophobicContact CB-CE 4.45Å; N196-M258 WeakPolarHBondContact OD1-CE 3.31Å; L197-M258 WeakPolarHBondContact O-CA 3.5Å
259	A	96.7	Very high	85.7	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.041	30%	0.304	C	S	.	.			trans	-68.8	-42.5	177.6	0	0	0	0	0	112.2	L255 L323 L332 I336	L255-A259 HydrophobicContact CD1-CB 4.05Å; A259-L323 HydrophobicContact CB-CD1 4.37Å; A259-L323 VanDerWaalsContact O-CA 3.22Å; A259-L323 WeakPolarHBondContact O-CA 3.29Å; A259-L323 VanDerWaalsContact O-CB 3.3Å; A259-L323 WeakPolarHBondContact O-CB 3.47Å; A259-L323 WeakPolarHBondContact O-CD1 3.49Å; A259-L332 HydrophobicContact CB-CD2 4.04Å; A259-L332 HydrophobicContact CB-CG 4.38Å; A259-I336 HydrophobicContact CB-CD1 3.45Å; A259-I336 VanDerWaalsContact CB-CD1 3.45Å
260	G	95.2	Very high	82.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	33%	0.325	C	S	.	.			trans	81.1	173.4	-170.4	0	0	0	0	0	112.9	I195 G321	I195-G260 PolarHBondContact O-N 2.85Å; G260-G321 CarbonylContact C-O 3.58Å; G260-G321 WeakPolarHBondContact CA-O 3.25Å
261	C	92.5	Very high	79.9	Confident	4 Å²	4	56.4 Å²	56.4	3%	0.027	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-87.6	146.1	-178.8	-163.9	0	0	0	0	110.1	W141 A145 A148 I195 G321 I322 L323	W141-C261 PolarHBondContact NE1-SG 2.97Å; A145-C261 HydrophobicContact CB-CB 4.14Å; A148-C261 HydrophobicContact CB-CB 4.29Å; I195-C261 HydrophobicContact CD1-CB 4.32Å; I195-C261 HydrophobicContact CG2-CB 4.23Å; C261-G321 PolarHBondContact N-O 3.44Å; C261-I322 CarbonylContact O-C 3.54Å; C261-I322 WeakPolarHBondContact O-CA 3.29Å; C261-L323 PolarHBondContact O-N 2.84Å
262	L	90.6	Very high	76.7	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.089	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.7	152.7	172.3	-76	163.5	0	0	0	111.2	W141 L323 M326 I336 N337 L340	W141-L262 PolarHBondContact NE1-O 2.93Å; L262-L323 HydrophobicContact CD2-CB 4.2Å; L262-L323 HydrophobicContact CD2-CD2 3.84Å; L262-L323 HydrophobicContact CD2-CG 4.15Å; L262-L323 HydrophobicContact CG-CB 4.49Å; L262-L323 HydrophobicContact CG-CD2 4.12Å; L262-M326 HydrophobicContact CD2-CG 4.46Å; L262-M326 HydrophobicContact CD2-SD 3.76Å; L262-I336 HydrophobicContact CD1-CG2 4.07Å; L262-I336 HydrophobicContact CG-CG2 4.3Å; L262-N337 HydrophobicContact CD1-CB 3.5Å; L262-L340 HydrophobicContact CB-CD2 3.94Å; L262-L340 HydrophobicContact CD1-CD2 4.25Å
263	P	85.2	Confident	73.3	Confident	85 Å²	85	64.9 Å²	64.9	55%	0.552	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-53.3	157.3	172.6	-24.7	33.7	0	0	0	112.6	I322	P263-I322 HydrophobicContact CG-CG2 4.46Å
264	A	81	Confident	70	Confident	52 Å²	52	68.6 Å²	68.6	43%	0.43	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-49.3	128.6	-175.6	0	0	0	0	0	112	W141 S268	W141-A264 HydrophobicContact CE3-CB 4.26Å; W141-A264 VanDerWaalsContact CH2-CA 3.46Å; W141-A264 HydrophobicContact CH2-CB 3.3Å; W141-A264 HydrophobicContact CZ2-CB 3.69Å; W141-A264 HydrophobicContact CZ3-CB 3.6Å; A264-S268 WeakPolarHBondContact CB-OG 3.4Å
265	P	73.6	Confident	66.8	Low	19 Å²	19	74.5 Å²	74.5	12%	0.123	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-64.9	147.1	173.6	26.9	-34.3	0	0	0	110.1	W141 S267 S268 E344	W141-P265 HydrophobicContact CG-CG 4.31Å; P265-S267 PolarHBondContact O-N 2.86Å; P265-S268 PolarHBondContact O-N 3.25Å; P265-S268 PolarHBondContact O-OG 3.11Å; P265-E344 WeakPolarHBondContact CB-OE1 3.37Å; P265-E344 VanDerWaalsContact CB-OE2 3.32Å; P265-E344 WeakPolarHBondContact CB-OE2 3.3Å; P265-E344 HydrophobicContact CG-CG 4.37Å; P265-E344 WeakPolarHBondContact CG-OE1 3.26Å
266	K	62.8	Low	63.6	Low	202 Å²	202	78.5 Å²	78.5	88%	0.878	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-21	-175.1	-65.2	-178.6	-179.9	178.1	0	114	S268 S269	K266-S268 VanDerWaalsContact C-N 3.35Å; K266-S269 PolarHBondContact O-OG 2.88Å
267	S	59	Low	60.5	Low	67 Å²	67	78.6 Å²	78.6	47%	0.469	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.7	176.6	55.6	0	0	0	0	114.7	P265 S270	P265-S267 PolarHBondContact O-N 2.86Å; S267-S270 PolarHBondContact O-OG 2.89Å
268	S	52.9	Low	57.3	Low	36 Å²	36	80.7 Å²	80.7	25%	0.252	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.8	-175.1	61.3	0	0	0	0	114	A264 P265 K266 S270 S271	A264-S268 WeakPolarHBondContact CB-OG 3.4Å; P265-S268 PolarHBondContact O-N 3.25Å; P265-S268 PolarHBondContact O-OG 3.11Å; K266-S268 VanDerWaalsContact C-N 3.35Å; S268-S270 PolarHBondContact O-N 3.38Å; S268-S271 PolarHBondContact O-OG 2.97Å
269	S	42.9	Very low	54.1	Low	89 Å²	89	86.1 Å²	86.1	62%	0.622	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-71	-9.4	-178.2	51.9	0	0	0	0	114.8	K266 S271	K266-S269 PolarHBondContact O-OG 2.88Å; S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.05Å
270	S	38.2	Very low	50.7	Low	100 Å²	100	92.7 Å²	92.7	70%	0.699	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-83.6	1.9	-179.9	55.7	0	0	0	0	114.8	S267 S268	S267-S270 PolarHBondContact O-OG 2.89Å; S268-S270 PolarHBondContact O-N 3.38Å
271	S	37.3	Very low	47.6	Very low	86 Å²	86	101.7 Å²	101.7	60%	0.601	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-104.3	-1.8	-176.5	63.6	0	0	0	0	115.4	S268 S269	S268-S271 PolarHBondContact O-OG 2.97Å; S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.05Å
272	M	31.2	Very low	44.4	Very low	166 Å²	166	111.6 Å²	111.6	82%	0.818	64%	0.635	S	S	*	*	S	Bend	trans	-113.8	11.6	-172.3	-76.5	-84.3	111	0	0	115.1
273	T	27.5	Very low	41.7	Very low	109 Å²	109	116.5 Å²	116.5	67%	0.669	67%	0.671	S	S	*	*	S	Bend	trans	-105.1	102	173.5	50.7	0	0	0	0	111.7
274	S	26.6	Very low	39	Very low	101 Å²	101	117.8 Å²	117.8	71%	0.706	68%	0.682	S	S	*	*			trans	34.5	104.3	144.1	60.6	0	0	0	0	118.5
275	H	29.4	Very low	36.4	Very low	201 Å²	201	123.7 Å²	123.7	93%	0.931	70%	0.698	S	S	*	*			trans	-120.2	92.4	144.5	-89.5	-53.4	0	0	0	109.8
276	S	26.8	Very low	34.3	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	73%	0.733	S	S	*	*			trans	-78.5	138.9	150.6	49.4	0	0	0	0	109.1
277	D	30	Very low	32.9	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	73%	0.726	S	S	*	*			trans	75.4	100	162	-64.8	-19.1	0	0	0	121.2
278	S	27.3	Very low	31.3	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	74%	0.744	S	S	*	*				100	128.3	114.5	75.3	0	0	0	0	120.6
279	T	28.7	Very low	30.4	Very low	120 Å²	120	142 Å²	142	74%	0.736	77%	0.77	S	S	*	*			trans	77.3	112.1	152.4	46.1	0	0	0	0	121.2
280	D	26.4	Very low	29.8	Very low	143 Å²	143	149 Å²	149	77%	0.765	78%	0.783	S	S	*	*			trans	56	112.9	138.9	-66.9	-31.7	0	0	0	120.3
281	Q	30.3	Very low	29.4	Very low	191 Å²	191	154 Å²	154	89%	0.893	79%	0.792	S	S	*	*				-170.6	129.1	99.8	-98.2	175.1	34.2	0	0	112	S283	Q281-S283 PolarHBondContact O-N 3.38Å
282	K	25.6	Very low	29	Very low	212 Å²	212	159.3 Å²	159.3	92%	0.922	80%	0.804	S	S	*	*			trans	-60.9	123	170.8	-69.9	165.8	176.5	166.3	0	110.2
283	S	33.2	Very low	29	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	81%	0.805	S	S	*	*			trans	-140.5	141.9	151.2	74.1	0	0	0	0	110.9	Q281	Q281-S283 PolarHBondContact O-N 3.38Å
284	S	27.4	Very low	29	Very low	112 Å²	112	155.8 Å²	155.8	78%	0.783	81%	0.809	S	S	*	*			trans	-88.3	129.2	-158.1	44.3	0	0	0	0	113.7
285	F	28	Very low	29.2	Very low	176 Å²	176	160.3 Å²	160.3	77%	0.772	82%	0.819	S	S	*	*			trans	-132.5	90.3	148.2	-156.6	-105.3	0	0	0	109.9	Q287	F285-Q287 HydrophobicContact CD1-CG 4.27Å; F285-Q287 HydrophobicContact CE1-CG 3.72Å; F285-Q287 PolarHBondContact O-N 3.14Å
286	R	28	Very low	29.1	Very low	226 Å²	226	159.7 Å²	159.7	85%	0.853	82%	0.817	S	S	*	*			trans	-81.5	98.7	170.6	-87.4	-178.9	168.5	179.1	-3	108.5
287	Q	34.7	Very low	29.3	Very low	156 Å²	156	164 Å²	164	73%	0.729	83%	0.826	S	S	*	*			trans	-84.7	110.6	153.6	-94.7	177.6	-13.1	0	0	108.8	F285 T289	F285-Q287 HydrophobicContact CD1-CG 4.27Å; F285-Q287 HydrophobicContact CE1-CG 3.72Å; F285-Q287 PolarHBondContact O-N 3.14Å; Q287-T289 PolarHBondContact O-N 3.05Å
288	K	25.9	Very low	29.2	Very low	196 Å²	196	165.6 Å²	165.6	85%	0.852	83%	0.828	S	S	*	*			trans	-73.3	96.4	171.6	-75.2	177.2	175.9	175.8	0	108.9
289	T	33.2	Very low	29.3	Very low	130 Å²	130	170 Å²	170	80%	0.798	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-85.3	125.6	156.4	30.4	0	0	0	0	109.1	Q287 K291	Q287-T289 PolarHBondContact O-N 3.05Å; T289-K291 PolarHBondContact O-N 3.21Å
290	R	30	Very low	29.2	Very low	237 Å²	237	173.3 Å²	173.3	89%	0.894	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-58.8	125.7	177.5	-80.2	176.5	170	173.9	-3.7	109.8	F292	R290-F292 PolarHBondContact O-N 2.83Å
291	K	29.8	Very low	29.2	Very low	204 Å²	204	175 Å²	175	89%	0.887	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-67.8	120	167.7	-75.2	178.7	173.1	-177.3	0	109.5	T289	T289-K291 PolarHBondContact O-N 3.21Å
292	F	29.7	Very low	29.2	Very low	198 Å²	198	174.7 Å²	174.7	87%	0.868	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-82.8	128.5	156.4	-84.7	-87	0	0	0	108.5	R290	R290-F292 PolarHBondContact O-N 2.83Å
293	P	29.7	Very low	29.3	Very low	129 Å²	129	174 Å²	174	84%	0.838	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-86.7	125.7	170.6	31.5	-26.3	0	0	0	109.5
294	G	28.6	Very low	29	Very low	73 Å²	73	173.7 Å²	173.7	75%	0.753	84%	0.84	S	S	*	*			trans	148.6	14.7	168.2	0	0	0	0	0	120.2
295	Q	31.2	Very low	28.9	Very low	195 Å²	195	175 Å²	175	91%	0.911	84%	0.843	S	S	*	*			trans	-134.8	78.5	168.1	-74.2	-171.2	-10.1	0	0	110.6
296	H	27.6	Very low	29	Very low	189 Å²	189	171 Å²	171	88%	0.875	83%	0.833	S	S	*	*			trans	-100.6	99.7	163.7	-84	-55.9	0	0	0	108.4
297	Q	29.5	Very low	29	Very low	186 Å²	186	165.7 Å²	165.7	87%	0.869	83%	0.826	S	S	*	*	S	Bend	trans	159.6	129.4	143.8	-87.8	170.2	31.4	0	0	107.1
298	Q	28.3	Very low	28.7	Very low	184 Å²	184	165 Å²	165	86%	0.86	83%	0.828	S	S	*	*	S	Bend	trans	85	73.3	-174.2	-50.3	-178.8	12.6	0	0	115.6
299	H	29.8	Very low	29	Very low	195 Å²	195	158.1 Å²	158.1	90%	0.903	81%	0.812	S	S	*	*			trans	179.8	71.1	139.9	-90.2	-46.7	0	0	0	109.1
300	Q	26	Very low	29	Very low	188 Å²	188	156 Å²	156	88%	0.879	80%	0.798	S	S	*	*			trans	-139	86.6	159.2	-85.4	-172.2	14.3	0	0	107.1
301	Q	27.4	Very low	29	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	79%	0.79	S	S	*	*			trans	-178.2	100.1	154	-104.3	170.1	42.9	0	0	107.4
302	Q	29.9	Very low	29.3	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	79%	0.785	S	S	*	*			trans	174.6	74.6	142.8	-95.4	174.4	44.4	0	0	108.4
303	Q	26.4	Very low	29.9	Very low	199 Å²	199	141.8 Å²	141.8	93%	0.93	76%	0.763	S	S	*	*			trans	-127.5	86.1	154.7	-86.2	-175.9	-0.4	0	0	106.1
304	T	28.3	Very low	30.2	Very low	112 Å²	112	139.5 Å²	139.5	69%	0.687	74%	0.743	S	S	*	*			trans	-129.5	102.2	163.2	43.1	0	0	0	0	107.3	T306	T304-T306 PolarHBondContact O-N 3.44Å; T304-T306 VanDerWaalsContact O-N 3.11Å
305	T	25.8	Very low	30.6	Very low	139 Å²	139	143.3 Å²	143.3	85%	0.853	74%	0.741	S	S	*	*			trans	-57.2	100.8	163.1	36.8	0	0	0	0	109.4
306	T	29.1	Very low	31	Very low	91 Å²	91	135.8 Å²	135.8	56%	0.558	71%	0.712	S	S	*	*			trans	-101.8	95.9	167.4	49.9	0	0	0	0	109	T304 N308	T304-T306 PolarHBondContact O-N 3.44Å; T304-T306 VanDerWaalsContact O-N 3.11Å; T306-N308 VanDerWaalsContact C-N 3.31Å; T306-N308 PolarHBondContact O-N 2.89Å
307	T	28	Very low	32	Very low	116 Å²	116	128.9 Å²	128.9	71%	0.712	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	5.2	178	38.2	0	0	0	0	114.4
308	N	29.2	Very low	33.1	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	16	-171.3	-69.2	-8.5	0	0	0	115.4	T306	T306-N308 VanDerWaalsContact C-N 3.31Å; T306-N308 PolarHBondContact O-N 2.89Å
309	G	30.5	Very low	35	Very low	50 Å²	50	125.6 Å²	125.6	52%	0.515	67%	0.665	S	S	.	*	S	Bend	trans	-100.1	-2.6	173.2	0	0	0	0	0	114.9
310	V	33.3	Very low	37.4	Very low	85 Å²	85	118.2 Å²	118.2	52%	0.515	63%	0.631	S	S	.	*	H	α-helix	trans	-83.4	-20.4	-164.1	179.9	0	0	0	0	113	I314	V310-I314 HydrophobicContact CG1-CD1 3.62Å; V310-I314 HydrophobicContact CG1-CG1 4.07Å; V310-I314 WeakPolarHBondContact O-CD1 3.46Å; V310-I314 WeakPolarHBondContact O-CG1 3.25Å; V310-I314 PolarHBondContact O-N 3.19Å
311	V	31.6	Very low	40	Very low	118 Å²	118	109.4 Å²	109.4	72%	0.715	59%	0.59	S	S	*	*	H	α-helix	trans	-74.5	-42.9	-169.6	-170.2	0	0	0	0	112.9
312	D	34.6	Very low	42.9	Very low	146 Å²	146	103.8 Å²	103.8	78%	0.781	57%	0.565	S	S	*	*	H	α-helix	trans	-73.9	-31	178.9	-73.5	-20.8	0	0	0	112.4	I314 A316	D312-I314 VanDerWaalsContact C-N 3.33Å; D312-I314 PolarHBondContact O-N 2.92Å; D312-A316 PolarHBondContact O-N 3.26Å
313	D	42.5	Very low	45.7	Very low	77 Å²	77	95.4 Å²	95.4	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-72.5	-25	178.4	-116.6	-13.7	0	0	0	112.3	R153 S317	R153-D313 IonicContact NH1-OD1 2.62Å; R153-D313 PolarHBondContact NH1-OD1 3Å; D313-S317 WeakPolarHBondContact O-CB 3.45Å; D313-S317 PolarHBondContact O-N 2.8Å; D313-S317 PolarHBondContact O-OG 3.19Å
314	I	37.4	Very low	48.2	Very low	82 Å²	82	91.9 Å²	91.9	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-35.9	177.4	-73.8	164.7	0	0	0	111.8	V310 D312 S317 K318	V310-I314 HydrophobicContact CG1-CD1 3.62Å; V310-I314 HydrophobicContact CG1-CG1 4.07Å; V310-I314 WeakPolarHBondContact O-CD1 3.46Å; V310-I314 WeakPolarHBondContact O-CG1 3.25Å; V310-I314 PolarHBondContact O-N 3.19Å; D312-I314 VanDerWaalsContact C-N 3.33Å; D312-I314 PolarHBondContact O-N 2.92Å; I314-S317 VanDerWaalsContact CA-OG 3.27Å; I314-S317 WeakPolarHBondContact CA-OG 3.33Å; I314-S317 PolarHBondContact O-OG 2.91Å; I314-K318 VanDerWaalsContact O-CG 3.3Å; I314-K318 WeakPolarHBondContact O-CG 3.26Å; I314-K318 PolarHBondContact O-N 3.16Å
315	E	36.8	Very low	50.9	Low	152 Å²	152	89.9 Å²	89.9	71%	0.71	50%	0.504	S	S	*	.	H	α-helix	trans	-80.9	-37.9	-178.1	-134.1	174	-159.6	0	0	112	K318	E315-K318 WeakPolarHBondContact O-CB 3.49Å; E315-K318 PolarHBondContact O-N 2.93Å
316	A	40.1	Very low	53.9	Low	37 Å²	37	86.5 Å²	86.5	31%	0.306	48%	0.479	S	S	.	.	H	α-helix	trans	-67	-40.6	171.6	0	0	0	0	0	112	D312 K318 K319 F320	D312-A316 PolarHBondContact O-N 3.26Å; A316-K318 PolarHBondContact O-N 3.44Å; A316-K319 PolarHBondContact O-N 2.91Å; A316-F320 WeakPolarHBondContact O-CD2 3.01Å; A316-F320 PolarHBondContact O-N 3.31Å
317	S	47.5	Very low	56.7	Low	44 Å²	44	91.3 Å²	91.3	31%	0.308	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-23.6	176.5	58.2	0	0	0	0	113.3	D313 I314 K319 I322	D313-S317 WeakPolarHBondContact O-CB 3.45Å; D313-S317 PolarHBondContact O-N 2.8Å; D313-S317 PolarHBondContact O-OG 3.19Å; I314-S317 VanDerWaalsContact CA-OG 3.27Å; I314-S317 WeakPolarHBondContact CA-OG 3.33Å; I314-S317 PolarHBondContact O-OG 2.91Å; S317-K319 VanDerWaalsContact C-N 3.27Å; S317-K319 PolarHBondContact O-N 2.78Å; S317-I322 WeakPolarHBondContact O-CD1 3.32Å
318	K	52.1	Low	59.8	Low	142 Å²	142	90.6 Å²	90.6	62%	0.617	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.7	171.4	-78.8	173.4	-176.3	178.1	0	114.2	I314 E315 A316 I322	I314-K318 VanDerWaalsContact O-CG 3.3Å; I314-K318 WeakPolarHBondContact O-CG 3.26Å; I314-K318 PolarHBondContact O-N 3.16Å; E315-K318 WeakPolarHBondContact O-CB 3.49Å; E315-K318 PolarHBondContact O-N 2.93Å; A316-K318 PolarHBondContact O-N 3.44Å; K318-I322 WeakPolarHBondContact O-CD1 3.11Å
319	K	68.8	Low	62.8	Low	159 Å²	159	83.8 Å²	83.8	69%	0.691	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-26.8	-175.2	-165.3	177.5	179.7	-176.9	0	113.7	A316 S317	A316-K319 PolarHBondContact O-N 2.91Å; S317-K319 VanDerWaalsContact C-N 3.27Å; S317-K319 PolarHBondContact O-N 2.78Å
320	F	79.6	Confident	65.9	Low	40 Å²	40	82.7 Å²	82.7	18%	0.175	43%	0.433	C	S	.	.	S	Bend	trans	-111.1	136.7	-172.6	-69.4	-82.8	0	0	0	112.1	G152 R153 N157 A316 I322	G152-F320 VanDerWaalsContact C-CD1 3.46Å; G152-F320 WeakPolarHBondContact O-CD1 3.33Å; R153-F320 HydrophobicContact CB-CG 4.46Å; R153-F320 HydrophobicContact CG-CB 3.82Å; R153-F320 HydrophobicContact CG-CD1 4.28Å; R153-F320 HydrophobicContact CG-CD2 3.53Å; R153-F320 HydrophobicContact CG-CE2 4.13Å; R153-F320 HydrophobicContact CG-CG 3.61Å; N157-F320 WeakPolarHBondContact ND2-CD1 3.25Å; N157-F320 WeakPolarHBondContact OD1-CA 3.28Å; N157-F320 WeakPolarHBondContact OD1-CD1 3.42Å; A316-F320 WeakPolarHBondContact O-CD2 3.01Å; A316-F320 PolarHBondContact O-N 3.31Å; F320-I322 VanDerWaalsContact C-N 3.27Å; F320-I322 PolarHBondContact O-N 3.27Å
321	G	80.8	Confident	68.8	Low	3 Å²	3	82.7 Å²	82.7	3%	0.031	44%	0.437	C	S	.	.	S	Bend	trans	66.5	24.7	175.1	0	0	0	0	0	114.8	N157 G260 C261	N157-G321 PolarHBondContact OD1-N 3.01Å; G260-G321 CarbonylContact C-O 3.58Å; G260-G321 WeakPolarHBondContact CA-O 3.25Å; C261-G321 PolarHBondContact N-O 3.44Å
322	I	88	Confident	72	Confident	61 Å²	61	77.1 Å²	77.1	31%	0.313	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-110.8	129.3	173.4	-56.8	-170.6	0	0	0	109.4	C261 P263 S317 K318 F320 T324	C261-I322 CarbonylContact O-C 3.54Å; C261-I322 WeakPolarHBondContact O-CA 3.29Å; P263-I322 HydrophobicContact CG-CG2 4.46Å; S317-I322 WeakPolarHBondContact O-CD1 3.32Å; K318-I322 WeakPolarHBondContact O-CD1 3.11Å; F320-I322 VanDerWaalsContact C-N 3.27Å; F320-I322 PolarHBondContact O-N 3.27Å; I322-T324 HydrophobicContact CB-CG2 4.48Å; I322-T324 HydrophobicContact CG2-CG2 4.04Å; I322-T324 PolarHBondContact O-N 3.43Å
323	L	88.5	Confident	74.9	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.042	37%	0.366	C	S	.	.			trans	-77.8	104.5	170.8	-178.9	57.9	0	0	0	109.3	A259 C261 L262 M326 I336	A259-L323 HydrophobicContact CB-CD1 4.37Å; A259-L323 VanDerWaalsContact O-CA 3.22Å; A259-L323 WeakPolarHBondContact O-CA 3.29Å; A259-L323 VanDerWaalsContact O-CB 3.3Å; A259-L323 WeakPolarHBondContact O-CB 3.47Å; A259-L323 WeakPolarHBondContact O-CD1 3.49Å; C261-L323 PolarHBondContact O-N 2.84Å; L262-L323 HydrophobicContact CD2-CB 4.2Å; L262-L323 HydrophobicContact CD2-CD2 3.84Å; L262-L323 HydrophobicContact CD2-CG 4.15Å; L262-L323 HydrophobicContact CG-CB 4.49Å; L262-L323 HydrophobicContact CG-CD2 4.12Å; L323-M326 HydrophobicContact CD2-SD 3.75Å; L323-M326 HydrophobicContact CG-SD 4.34Å; L323-I336 HydrophobicContact CD2-CD1 4.49Å
324	T	79.9	Confident	77.5	Confident	126 Å²	126	71.7 Å²	71.7	77%	0.773	37%	0.373	S	S	*	.			trans	-99.4	-31.4	-177.6	52.4	0	0	0	0	113.4	I322	I322-T324 HydrophobicContact CB-CG2 4.48Å; I322-T324 HydrophobicContact CG2-CG2 4.04Å; I322-T324 PolarHBondContact O-N 3.43Å
325	D	84.7	Confident	80.3	Confident	70 Å²	70	68.9 Å²	68.9	37%	0.374	36%	0.36	S	S	.	.			trans	-112.3	95.6	-178.8	-160.8	-31.7	0	0	0	112.2	K327 E328 S329	D325-K327 PolarHBondContact O-N 3.45Å; D325-K327 WeakPolarHBondContact OD1-CA 3.39Å; D325-K327 VanDerWaalsContact OD1-CB 3.29Å; D325-K327 WeakPolarHBondContact OD1-CB 3.44Å; D325-K327 PolarHBondContact OD1-N 2.94Å; D325-E328 HydrophobicContact CB-CB 4Å; D325-E328 PolarHBondContact OD1-N 3.29Å; D325-S329 WeakPolarHBondContact O-CB 3.36Å; D325-S329 PolarHBondContact O-N 2.95Å; D325-S329 PolarHBondContact O-OG 3.28Å
326	M	88	Confident	83.2	Confident	67 Å²	67	61.7 Å²	61.7	33%	0.33	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.1	174.1	-78.2	-63.6	-61.8	0	0	113.4	L262 L323 S329 G333 L334 N337	L262-M326 HydrophobicContact CD2-CG 4.46Å; L262-M326 HydrophobicContact CD2-SD 3.76Å; L323-M326 HydrophobicContact CD2-SD 3.75Å; L323-M326 HydrophobicContact CG-SD 4.34Å; M326-S329 WeakPolarHBondContact CA-OG 3.34Å; M326-S329 PolarHBondContact O-OG 3.01Å; M326-G333 VanDerWaalsContact CE-C 3.46Å; M326-G333 WeakPolarHBondContact CE-O 3.37Å; M326-L334 HydrophobicContact CE-CD2 4.1Å; M326-N337 HydrophobicContact CE-CB 4.26Å
327	K	89	Confident	85.8	Confident	192 Å²	192	62.5 Å²	62.5	84%	0.835	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-44.4	-178.6	-172.2	-177.2	177.1	-174.3	0	110.3	D325 G330	D325-K327 PolarHBondContact O-N 3.45Å; D325-K327 WeakPolarHBondContact OD1-CA 3.39Å; D325-K327 VanDerWaalsContact OD1-CB 3.29Å; D325-K327 WeakPolarHBondContact OD1-CB 3.44Å; D325-K327 PolarHBondContact OD1-N 2.94Å; K327-G330 PolarHBondContact O-N 3.38Å
328	E	92.2	Very high	88.2	Confident	101 Å²	101	63.4 Å²	63.4	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-39.2	177.8	-162.2	-174.8	171.4	0	0	111.6	P254 L255 D325 G330	P254-E328 WeakPolarHBondContact CG-O 3.28Å; L255-E328 HydrophobicContact CD2-CB 4.02Å; L255-E328 HydrophobicContact CD2-CG 3.8Å; D325-E328 HydrophobicContact CB-CB 4Å; D325-E328 PolarHBondContact OD1-N 3.29Å; E328-G330 PolarHBondContact O-N 3.21Å
329	S	93.4	Very high	90.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.1	179.1	54.8	0	0	0	0	114.8	P254 D325 M326 S331 L332 G333	P254-S329 WeakPolarHBondContact CG-O 3.27Å; D325-S329 WeakPolarHBondContact O-CB 3.36Å; D325-S329 PolarHBondContact O-N 2.95Å; D325-S329 PolarHBondContact O-OG 3.28Å; M326-S329 WeakPolarHBondContact CA-OG 3.34Å; M326-S329 PolarHBondContact O-OG 3.01Å; S329-S331 PolarHBondContact O-N 2.93Å; S329-L332 WeakPolarHBondContact O-CB 3.26Å; S329-L332 PolarHBondContact O-N 3.48Å; S329-G333 PolarHBondContact O-N 3.06Å; S329-G333 WeakPolarHBondContact OG-CA 3.38Å
330	G	94.5	Very high	91.7	Very high	26 Å²	26	49.5 Å²	49.5	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	52	-134.9	173.5	0	0	0	0	0	113.7	K327 E328 L332 G333 L334	K327-G330 PolarHBondContact O-N 3.38Å; E328-G330 PolarHBondContact O-N 3.21Å; G330-L332 PolarHBondContact O-N 2.96Å; G330-G333 PolarHBondContact O-N 3.4Å; G330-L334 WeakPolarHBondContact O-CG 3.32Å; G330-L334 PolarHBondContact O-N 3.49Å
331	S	95.3	Very high	92.5	Very high	85 Å²	85	52.5 Å²	52.5	59%	0.594	28%	0.279	S	S	*	.	H	α-helix	trans	-59	-32.8	-179.4	-53.2	0	0	0	0	113.3	S329 L334 V335	S329-S331 PolarHBondContact O-N 2.93Å; S331-L334 PolarHBondContact O-N 3.24Å; S331-V335 WeakPolarHBondContact O-CG2 3.32Å; S331-V335 PolarHBondContact O-N 3.32Å
332	L	97.4	Very high	93.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-49.6	178.4	176	61.1	0	0	0	110.9	L194 L225 L251 S253 A259 S329 G330 L334 V335 I336	L194-L332 HydrophobicContact CB-CD1 3.93Å; L194-L332 HydrophobicContact CD2-CD1 3.82Å; L194-L332 HydrophobicContact CG-CD1 4.28Å; L225-L332 HydrophobicContact CD1-CD1 4.33Å; L251-L332 HydrophobicContact CD1-CD1 4.28Å; L251-L332 HydrophobicContact CD2-CD2 4.31Å; S253-L332 WeakPolarHBondContact OG-CD2 3.21Å; A259-L332 HydrophobicContact CB-CD2 4.04Å; A259-L332 HydrophobicContact CB-CG 4.38Å; S329-L332 WeakPolarHBondContact O-CB 3.26Å; S329-L332 PolarHBondContact O-N 3.48Å; G330-L332 PolarHBondContact O-N 2.96Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.41Å; L332-V335 PolarHBondContact O-N 2.96Å; L332-I336 HydrophobicContact CD1-CD1 4Å; L332-I336 HydrophobicContact CD1-CG1 4.33Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.31Å; L332-I336 WeakPolarHBondContact O-CG1 3.33Å; L332-I336 PolarHBondContact O-N 3.41Å
333	G	96.4	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-41.4	177.6	0	0	0	0	0	112.5	M326 S329 G330 V335 I336 N337	M326-G333 VanDerWaalsContact CE-C 3.46Å; M326-G333 WeakPolarHBondContact CE-O 3.37Å; S329-G333 PolarHBondContact O-N 3.06Å; S329-G333 WeakPolarHBondContact OG-CA 3.38Å; G330-G333 PolarHBondContact O-N 3.4Å; G333-V335 PolarHBondContact O-N 2.98Å; G333-I336 PolarHBondContact O-N 3.47Å; G333-N337 PolarHBondContact O-N 2.91Å
334	L	96.1	Very high	94	Very high	109 Å²	109	51.4 Å²	51.4	57%	0.571	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-44.8	176.6	-68.5	175.1	0	0	0	112.2	M326 G330 S331 L332 N337 H338	M326-L334 HydrophobicContact CE-CD2 4.1Å; G330-L334 WeakPolarHBondContact O-CG 3.32Å; G330-L334 PolarHBondContact O-N 3.49Å; S331-L334 PolarHBondContact O-N 3.24Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-L334 PolarHBondContact O-N 3.41Å; L334-N337 PolarHBondContact O-N 3.2Å; L334-H338 WeakPolarHBondContact O-CB 3.19Å; L334-H338 PolarHBondContact O-N 2.97Å
335	V	97.3	Very high	94.8	Very high	23 Å²	23	50.6 Å²	50.6	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-41.5	177.8	171.7	0	0	0	0	111.4	L194 I221 L225 S331 L332 G333 N337 H338 F339	L194-V335 HydrophobicContact CD1-CG1 3.68Å; I221-V335 HydrophobicContact CG2-CB 4.3Å; I221-V335 HydrophobicContact CG2-CG1 3.48Å; I221-V335 VanDerWaalsContact CG2-CG1 3.48Å; I221-V335 HydrophobicContact CG2-CG2 3.75Å; L225-V335 HydrophobicContact CD1-CB 3.9Å; L225-V335 HydrophobicContact CD1-CG1 3.75Å; L225-V335 HydrophobicContact CD1-CG2 4.05Å; L225-V335 HydrophobicContact CD2-CG2 4.46Å; S331-V335 WeakPolarHBondContact O-CG2 3.32Å; S331-V335 PolarHBondContact O-N 3.32Å; L332-V335 PolarHBondContact O-N 2.96Å; G333-V335 PolarHBondContact O-N 2.98Å; V335-N337 VanDerWaalsContact C-N 3.3Å; V335-N337 PolarHBondContact O-N 2.97Å; V335-H338 PolarHBondContact O-N 3.36Å; V335-F339 HydrophobicContact CG1-CD1 4.09Å; V335-F339 HydrophobicContact CG1-CD2 4.11Å; V335-F339 HydrophobicContact CG1-CE1 3.95Å; V335-F339 HydrophobicContact CG1-CE2 3.96Å; V335-F339 HydrophobicContact CG1-CG 4.18Å; V335-F339 HydrophobicContact CG1-CZ 3.88Å; V335-F339 WeakPolarHBondContact O-CB 3.44Å; V335-F339 PolarHBondContact O-N 3.48Å
336	I	97.2	Very high	95.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-47	174.8	-71.4	168.3	0	0	0	110.2	L191 L194 I195 A259 L262 L323 L332 G333 L340	L191-I336 HydrophobicContact CD1-CB 4.41Å; L191-I336 HydrophobicContact CD1-CG2 3.98Å; L194-I336 HydrophobicContact CB-CD1 4.14Å; L194-I336 HydrophobicContact CB-CG1 3.75Å; L194-I336 HydrophobicContact CD1-CG1 4.49Å; I195-I336 HydrophobicContact CG1-CG2 4.17Å; A259-I336 HydrophobicContact CB-CD1 3.45Å; A259-I336 VanDerWaalsContact CB-CD1 3.45Å; L262-I336 HydrophobicContact CD1-CG2 4.07Å; L262-I336 HydrophobicContact CG-CG2 4.3Å; L323-I336 HydrophobicContact CD2-CD1 4.49Å; L332-I336 HydrophobicContact CD1-CD1 4Å; L332-I336 HydrophobicContact CD1-CG1 4.33Å; L332-I336 HydrophobicContact CG-CD1 3.97Å; L332-I336 VanDerWaalsContact O-CG1 3.31Å; L332-I336 WeakPolarHBondContact O-CG1 3.33Å; L332-I336 PolarHBondContact O-N 3.41Å; G333-I336 PolarHBondContact O-N 3.47Å; I336-L340 VanDerWaalsContact O-CB 3.3Å; I336-L340 WeakPolarHBondContact O-CB 3.49Å; I336-L340 PolarHBondContact O-N 3.41Å
337	N	95.8	Very high	95.6	Very high	54 Å²	54	46.7 Å²	46.7	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-45.7	176.6	-176.4	57.1	0	0	0	112.1	L262 M326 G333 L334 V335 L340 Q341	L262-N337 HydrophobicContact CD1-CB 3.5Å; M326-N337 HydrophobicContact CE-CB 4.26Å; G333-N337 PolarHBondContact O-N 2.91Å; L334-N337 PolarHBondContact O-N 3.2Å; V335-N337 VanDerWaalsContact C-N 3.3Å; V335-N337 PolarHBondContact O-N 2.97Å; N337-L340 PolarHBondContact O-N 3.25Å; N337-Q341 PolarHBondContact ND2-NE2 3.01Å; N337-Q341 VanDerWaalsContact O-CG 3.31Å; N337-Q341 WeakPolarHBondContact O-CG 3.39Å; N337-Q341 PolarHBondContact O-N 2.88Å
338	H	97	Very high	95.7	Very high	63 Å²	63	41.4 Å²	41.4	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-49.9	179.1	-175.7	54.9	0	0	0	112.1	L334 V335 L340 Q341 V342 I367	L334-H338 WeakPolarHBondContact O-CB 3.19Å; L334-H338 PolarHBondContact O-N 2.97Å; V335-H338 PolarHBondContact O-N 3.36Å; H338-L340 VanDerWaalsContact C-N 3.29Å; H338-L340 PolarHBondContact O-N 3.47Å; H338-Q341 PolarHBondContact O-N 2.96Å; H338-V342 WeakPolarHBondContact O-CG2 3.17Å; H338-V342 PolarHBondContact O-N 2.8Å; H338-I367 PolarHBondContact NE2-O 3.3Å
339	F	97.9	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-38.1	178.1	-78.8	9.2	0	0	0	111.9	L187 C190 L191 L194 I221 M222 V335 V342 N343 I367	L187-F339 HydrophobicContact CD1-CB 4.03Å; L187-F339 HydrophobicContact CD1-CD1 3.68Å; L187-F339 HydrophobicContact CD1-CD2 4.06Å; L187-F339 HydrophobicContact CD1-CE1 4.09Å; L187-F339 HydrophobicContact CD1-CE2 4.44Å; L187-F339 HydrophobicContact CD1-CG 3.65Å; L187-F339 HydrophobicContact CD1-CZ 4.46Å; L187-F339 HydrophobicContact CG-CB 4.48Å; C190-F339 HydrophobicContact CB-CD2 4.44Å; C190-F339 HydrophobicContact CB-CE2 3.95Å; L191-F339 HydrophobicContact CB-CB 4.25Å; L191-F339 HydrophobicContact CB-CD2 4.35Å; L191-F339 HydrophobicContact CD1-CB 3.99Å; L191-F339 HydrophobicContact CD2-CB 4.48Å; L191-F339 HydrophobicContact CG-CB 4.47Å; L194-F339 HydrophobicContact CD1-CD2 4.17Å; L194-F339 HydrophobicContact CD1-CE2 4.07Å; I221-F339 HydrophobicContact CB-CE1 4.4Å; I221-F339 HydrophobicContact CB-CZ 4.13Å; I221-F339 HydrophobicContact CD1-CE1 3.68Å; I221-F339 HydrophobicContact CD1-CZ 4.25Å; I221-F339 HydrophobicContact CG2-CE1 3.99Å; I221-F339 HydrophobicContact CG2-CZ 3.69Å; M222-F339 HydrophobicContact SD-CE2 4.25Å; V335-F339 HydrophobicContact CG1-CD1 4.09Å; V335-F339 HydrophobicContact CG1-CD2 4.11Å; V335-F339 HydrophobicContact CG1-CE1 3.95Å; V335-F339 HydrophobicContact CG1-CE2 3.96Å; V335-F339 HydrophobicContact CG1-CG 4.18Å; V335-F339 HydrophobicContact CG1-CZ 3.88Å; V335-F339 WeakPolarHBondContact O-CB 3.44Å; V335-F339 PolarHBondContact O-N 3.48Å; F339-V342 PolarHBondContact O-N 3.41Å; F339-N343 WeakPolarHBondContact O-CB 3.35Å; F339-N343 PolarHBondContact O-N 2.8Å; F339-I367 HydrophobicContact CD1-CD1 4.3Å; F339-I367 HydrophobicContact CE1-CD1 3.71Å
340	L	96.1	Very high	95.6	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-45.4	175.4	-178.2	59.8	0	0	0	111.7	W141 L191 L262 I336 N337 H338 V342 N343 E344	W141-L340 HydrophobicContact CB-CD1 4.32Å; W141-L340 HydrophobicContact CG-CD1 4.42Å; L191-L340 HydrophobicContact CD2-CB 4.29Å; L191-L340 HydrophobicContact CD2-CD1 4.29Å; L262-L340 HydrophobicContact CB-CD2 3.94Å; L262-L340 HydrophobicContact CD1-CD2 4.25Å; I336-L340 VanDerWaalsContact O-CB 3.3Å; I336-L340 WeakPolarHBondContact O-CB 3.49Å; I336-L340 PolarHBondContact O-N 3.41Å; N337-L340 PolarHBondContact O-N 3.25Å; H338-L340 VanDerWaalsContact C-N 3.29Å; H338-L340 PolarHBondContact O-N 3.47Å; L340-V342 PolarHBondContact O-N 3.09Å; L340-N343 WeakPolarHBondContact O-CB 3.41Å; L340-N343 PolarHBondContact O-N 3.18Å; L340-E344 WeakPolarHBondContact CG-OE1 3.36Å; L340-E344 WeakPolarHBondContact O-CG 3.32Å; L340-E344 PolarHBondContact O-N 2.99Å
341	Q	96.1	Very high	95.2	Very high	103 Å²	103	45.5 Å²	45.5	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-42	176.7	-72.2	177.5	-4.3	0	0	112.5	N337 H338 N343 E344 K345	N337-Q341 PolarHBondContact ND2-NE2 3.01Å; N337-Q341 VanDerWaalsContact O-CG 3.31Å; N337-Q341 WeakPolarHBondContact O-CG 3.39Å; N337-Q341 PolarHBondContact O-N 2.88Å; H338-Q341 PolarHBondContact O-N 2.96Å; Q341-N343 VanDerWaalsContact C-N 3.35Å; Q341-E344 PolarHBondContact O-N 2.99Å; Q341-K345 WeakPolarHBondContact O-CB 3.23Å; Q341-K345 PolarHBondContact O-N 2.81Å
342	V	97.6	Very high	94.7	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-45	174.6	173.3	0	0	0	0	110.4	L187 F214 H338 F339 L340 E344 K345 L346 V364 I367	L187-V342 HydrophobicContact CD2-CB 3.9Å; L187-V342 HydrophobicContact CD2-CG1 3.54Å; F214-V342 HydrophobicContact CE2-CG1 4Å; F214-V342 HydrophobicContact CZ-CG1 4.14Å; H338-V342 WeakPolarHBondContact O-CG2 3.17Å; H338-V342 PolarHBondContact O-N 2.8Å; F339-V342 PolarHBondContact O-N 3.41Å; L340-V342 PolarHBondContact O-N 3.09Å; V342-E344 PolarHBondContact O-N 2.93Å; V342-K345 PolarHBondContact O-N 3.31Å; V342-L346 HydrophobicContact CG1-CD1 4.1Å; V342-L346 HydrophobicContact CG1-CG 4.49Å; V342-L346 WeakPolarHBondContact O-CG 3.22Å; V342-L346 PolarHBondContact O-N 2.95Å; V342-V364 HydrophobicContact CG1-CG1 4.27Å; V342-I367 HydrophobicContact CB-CG2 4.34Å; V342-I367 HydrophobicContact CG1-CG2 3.72Å; V342-I367 HydrophobicContact CG2-CB 4.28Å; V342-I367 HydrophobicContact CG2-CG2 3.69Å
343	N	97.4	Very high	94.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-43.6	178.6	-179.1	43.4	0	0	0	112	T139 Q184 L187 C188 F339 L340 Q341 K345 L346 N347	T139-N343 PolarHBondContact O-ND2 3.17Å; Q184-N343 PolarHBondContact NE2-OD1 3.2Å; L187-N343 HydrophobicContact CD2-CB 3.94Å; C188-N343 PolarHBondContact SG-OD1 2.78Å; F339-N343 WeakPolarHBondContact O-CB 3.35Å; F339-N343 PolarHBondContact O-N 2.8Å; L340-N343 WeakPolarHBondContact O-CB 3.41Å; L340-N343 PolarHBondContact O-N 3.18Å; Q341-N343 VanDerWaalsContact C-N 3.35Å; N343-K345 VanDerWaalsContact C-N 3.32Å; N343-K345 PolarHBondContact O-N 2.82Å; N343-L346 PolarHBondContact O-N 3.13Å; N343-N347 PolarHBondContact O-N 2.99Å; N343-N347 PolarHBondContact O-ND2 3.05Å
344	E	95.2	Very high	93.2	Very high	36 Å²	36	55 Å²	55	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-42.5	174	-76.5	169.1	-149.8	0	0	112.1	P265 L340 Q341 V342 L346 N347 Q348	P265-E344 WeakPolarHBondContact CB-OE1 3.37Å; P265-E344 VanDerWaalsContact CB-OE2 3.32Å; P265-E344 WeakPolarHBondContact CB-OE2 3.3Å; P265-E344 HydrophobicContact CG-CG 4.37Å; P265-E344 WeakPolarHBondContact CG-OE1 3.26Å; L340-E344 WeakPolarHBondContact CG-OE1 3.36Å; L340-E344 WeakPolarHBondContact O-CG 3.32Å; L340-E344 PolarHBondContact O-N 2.99Å; Q341-E344 PolarHBondContact O-N 2.99Å; V342-E344 PolarHBondContact O-N 2.93Å; E344-L346 PolarHBondContact O-N 2.71Å; E344-N347 PolarHBondContact O-N 2.59Å; E344-Q348 VanDerWaalsContact O-CG 3.27Å; E344-Q348 WeakPolarHBondContact O-CG 3.36Å; E344-Q348 PolarHBondContact O-N 2.98Å
345	K	95.5	Very high	92.3	Very high	109 Å²	109	56.3 Å²	56.3	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-42.6	177.1	-173.5	60.6	175.4	-176.3	0	111.7	Q341 V342 N343 Q348 I349 V364	Q341-K345 WeakPolarHBondContact O-CB 3.23Å; Q341-K345 PolarHBondContact O-N 2.81Å; V342-K345 PolarHBondContact O-N 3.31Å; N343-K345 VanDerWaalsContact C-N 3.32Å; N343-K345 PolarHBondContact O-N 2.82Å; K345-Q348 PolarHBondContact O-N 3.43Å; K345-I349 HydrophobicContact CD-CD1 4.49Å; K345-I349 HydrophobicContact CG-CD1 4.08Å; K345-I349 VanDerWaalsContact O-CG1 3.25Å; K345-I349 WeakPolarHBondContact O-CG1 2.95Å; K345-I349 PolarHBondContact O-N 3.04Å; K345-V364 HydrophobicContact CB-CG2 4.45Å; K345-V364 HydrophobicContact CG-CG2 3.95Å
346	L	95.6	Very high	90.9	Very high	6 Å²	6	57 Å²	57	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.1	-72.6	169.4	0	0	0	111.4	Q184 L187 F214 V342 N343 E344 I349 K350 D363 V364	Q184-L346 HydrophobicContact CB-CD1 4.03Å; Q184-L346 HydrophobicContact CG-CB 4.38Å; Q184-L346 HydrophobicContact CG-CD1 3.92Å; L187-L346 HydrophobicContact CD2-CD1 4.15Å; F214-L346 HydrophobicContact CZ-CD1 4.16Å; V342-L346 HydrophobicContact CG1-CD1 4.1Å; V342-L346 HydrophobicContact CG1-CG 4.49Å; V342-L346 WeakPolarHBondContact O-CG 3.22Å; V342-L346 PolarHBondContact O-N 2.95Å; N343-L346 PolarHBondContact O-N 3.13Å; E344-L346 PolarHBondContact O-N 2.71Å; L346-I349 PolarHBondContact O-N 2.97Å; L346-K350 WeakPolarHBondContact O-CG 3.47Å; L346-K350 PolarHBondContact O-N 2.88Å; L346-D363 WeakPolarHBondContact CD2-OD1 3.13Å; L346-V364 HydrophobicContact CD2-CB 4.04Å; L346-V364 HydrophobicContact CD2-CG2 3.95Å; L346-V364 HydrophobicContact CG-CG2 4.25Å
347	N	94.5	Very high	89.5	Confident	49 Å²	49	63 Å²	63	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-46.4	175.3	-77.3	-29.7	0	0	0	112.1	T139 Q184 N343 E344 I349 K350 T351	T139-N347 PolarHBondContact O-ND2 3.38Å; T139-N347 VanDerWaalsContact O-ND2 3.09Å; Q184-N347 PolarHBondContact NE2-OD1 2.81Å; N343-N347 PolarHBondContact O-N 2.99Å; N343-N347 PolarHBondContact O-ND2 3.05Å; E344-N347 PolarHBondContact O-N 2.59Å; N347-I349 VanDerWaalsContact C-N 3.34Å; N347-I349 PolarHBondContact O-N 2.94Å; N347-K350 PolarHBondContact O-N 2.85Å; N347-T351 PolarHBondContact O-N 3.19Å; N347-T351 PolarHBondContact O-OG1 3.21Å; N347-T351 VanDerWaalsContact O-OG1 3.14Å
348	Q	92.3	Very high	88.1	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.379	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-43.6	176.4	-70.9	167.5	17.9	0	0	112.1	E344 K345 T351 N352	E344-Q348 VanDerWaalsContact O-CG 3.27Å; E344-Q348 WeakPolarHBondContact O-CG 3.36Å; E344-Q348 PolarHBondContact O-N 2.98Å; K345-Q348 PolarHBondContact O-N 3.43Å; Q348-T351 PolarHBondContact O-N 2.76Å; Q348-N352 WeakPolarHBondContact O-CB 3.37Å; Q348-N352 PolarHBondContact O-N 3.24Å; Q348-N352 PolarHBondContact O-ND2 3.18Å
349	I	92.3	Very high	86.4	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.092	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-47.1	177.1	-72.5	168.4	0	0	0	110.4	K345 L346 N347 T351 N352 Q353 L362 V364	K345-I349 HydrophobicContact CD-CD1 4.49Å; K345-I349 HydrophobicContact CG-CD1 4.08Å; K345-I349 VanDerWaalsContact O-CG1 3.25Å; K345-I349 WeakPolarHBondContact O-CG1 2.95Å; K345-I349 PolarHBondContact O-N 3.04Å; L346-I349 PolarHBondContact O-N 2.97Å; N347-I349 VanDerWaalsContact C-N 3.34Å; N347-I349 PolarHBondContact O-N 2.94Å; I349-T351 PolarHBondContact O-N 2.91Å; I349-N352 PolarHBondContact O-N 3.2Å; I349-Q353 HydrophobicContact CG2-CG 4.45Å; I349-Q353 WeakPolarHBondContact O-CB 3.08Å; I349-Q353 WeakPolarHBondContact O-CG 3.32Å; I349-Q353 PolarHBondContact O-N 2.95Å; I349-L362 WeakPolarHBondContact CG2-O 3.5Å; I349-V364 HydrophobicContact CD1-CG2 4.04Å
350	K	89.8	Confident	84.9	Confident	113 Å²	113	73.3 Å²	73.3	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-46.3	177.8	-75.6	179.9	173.5	-169.8	0	112	L346 N347 Q353 S354	L346-K350 WeakPolarHBondContact O-CG 3.47Å; L346-K350 PolarHBondContact O-N 2.88Å; N347-K350 PolarHBondContact O-N 2.85Å; K350-Q353 PolarHBondContact O-N 3.09Å; K350-S354 PolarHBondContact O-N 2.73Å; K350-S354 VanDerWaalsContact O-N 3.1Å
351	T	87.2	Confident	84.2	Confident	82 Å²	82	82.1 Å²	82.1	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-48.2	177.1	-57.8	0	0	0	0	111.2	N347 Q348 I349 Q353 S354 L355	N347-T351 PolarHBondContact O-N 3.19Å; N347-T351 PolarHBondContact O-OG1 3.21Å; N347-T351 VanDerWaalsContact O-OG1 3.14Å; Q348-T351 PolarHBondContact O-N 2.76Å; I349-T351 PolarHBondContact O-N 2.91Å; T351-Q353 PolarHBondContact O-N 3.44Å; T351-S354 WeakPolarHBondContact O-CB 3.17Å; T351-S354 PolarHBondContact O-N 3.18Å; T351-L355 HydrophobicContact CG2-CD1 3.95Å; T351-L355 WeakPolarHBondContact O-CD1 3.5Å; T351-L355 PolarHBondContact O-N 3.46Å
352	N	85	Confident	83.9	Confident	102 Å²	102	83 Å²	83	55%	0.545	45%	0.451	S	S	.	.	H	α-helix	trans	-64.2	-38.2	-178.7	-70	-17	0	0	0	113	Q348 I349 S354 L355 S356	Q348-N352 WeakPolarHBondContact O-CB 3.37Å; Q348-N352 PolarHBondContact O-N 3.24Å; Q348-N352 PolarHBondContact O-ND2 3.18Å; I349-N352 PolarHBondContact O-N 3.2Å; N352-S354 VanDerWaalsContact C-N 3.33Å; N352-L355 PolarHBondContact O-N 2.66Å; N352-S356 PolarHBondContact O-N 3.18Å
353	Q	83.4	Confident	83.6	Confident	77 Å²	77	85.8 Å²	85.8	36%	0.36	47%	0.466	S	S	.	.	H	α-helix	trans	-69.7	-30.3	176.6	-73.4	178.6	5.6	0	0	112.8	I349 K350 T351 L355 L362	I349-Q353 HydrophobicContact CG2-CG 4.45Å; I349-Q353 WeakPolarHBondContact O-CB 3.08Å; I349-Q353 WeakPolarHBondContact O-CG 3.32Å; I349-Q353 PolarHBondContact O-N 2.95Å; K350-Q353 PolarHBondContact O-N 3.09Å; T351-Q353 PolarHBondContact O-N 3.44Å; Q353-L355 PolarHBondContact O-N 2.89Å; Q353-L362 PolarHBondContact NE2-O 3.21Å
354	S	78.7	Confident	83.6	Confident	108 Å²	108	87 Å²	87	76%	0.755	47%	0.473	S	S	*	.	H	α-helix	trans	-69.4	-22.7	173.2	-172.1	0	0	0	0	112.9	K350 T351 N352	K350-S354 PolarHBondContact O-N 2.73Å; K350-S354 VanDerWaalsContact O-N 3.1Å; T351-S354 WeakPolarHBondContact O-CB 3.17Å; T351-S354 PolarHBondContact O-N 3.18Å; N352-S354 VanDerWaalsContact C-N 3.33Å
355	L	76.1	Confident	83.6	Confident	137 Å²	137	91 Å²	91	72%	0.717	50%	0.495	S	S	*	.	H	α-helix	trans	-90.2	-24.9	-176.8	-76.8	151.4	0	0	0	113.4	T351 N352 Q353	T351-L355 HydrophobicContact CG2-CD1 3.95Å; T351-L355 WeakPolarHBondContact O-CD1 3.5Å; T351-L355 PolarHBondContact O-N 3.46Å; N352-L355 PolarHBondContact O-N 2.66Å; Q353-L355 PolarHBondContact O-N 2.89Å
356	S	67.9	Low	83.6	Confident	37 Å²	37	88.4 Å²	88.4	26%	0.259	48%	0.482	S	S	.	.			trans	-144.1	115.4	-177.6	175.9	0	0	0	0	111.4	N352 T358	N352-S356 PolarHBondContact O-N 3.18Å; S356-T358 PolarHBondContact O-N 3.45Å; S356-T358 PolarHBondContact OG-OG1 3.1Å; S356-T358 VanDerWaalsContact OG-OG1 3.06Å
357	S	67.8	Low	83.7	Confident	126 Å²	126	88.9 Å²	88.9	88%	0.881	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.9	176.3	55.9	0	0	0	0	114
358	T	66.7	Low	83.8	Confident	121 Å²	121	88 Å²	88	74%	0.742	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-11.9	-171.6	52.1	0	0	0	0	114.3	S356	S356-T358 PolarHBondContact O-N 3.45Å; S356-T358 PolarHBondContact OG-OG1 3.1Å; S356-T358 VanDerWaalsContact OG-OG1 3.06Å
359	N	60.9	Low	84	Confident	110 Å²	110	90.5 Å²	90.5	59%	0.588	49%	0.493	S	S	*	.	S	Bend	trans	-82.7	147.9	179.5	-78.2	-24.8	0	0	0	111.9	K361	N359-K361 PolarHBondContact O-N 3.2Å
360	P	67.5	Low	84.1	Confident	103 Å²	103	91.5 Å²	91.5	67%	0.669	50%	0.5	S	S	*	.			trans	-57.1	137.5	174.6	23.1	-31.9	0	0	0	110.5	L362	P360-L362 PolarHBondContact O-N 3.43Å
361	K	80.1	Confident	84.3	Confident	194 Å²	194	91.4 Å²	91.4	84%	0.843	50%	0.501	S	S	*	.			trans	-67.9	94.9	177.9	-70.2	-174	180	-178.1	0	109.7	N359	N359-K361 PolarHBondContact O-N 3.2Å
362	L	89.4	Confident	84.7	Confident	120 Å²	120	92 Å²	92	63%	0.628	50%	0.501	S	S	*	.			trans	-76.1	146.6	170.5	-67	168.9	0	0	0	110.6	I349 Q353 P360	I349-L362 WeakPolarHBondContact CG2-O 3.5Å; Q353-L362 PolarHBondContact NE2-O 3.21Å; P360-L362 PolarHBondContact O-N 3.43Å
363	D	92.9	Very high	85.2	Confident	72 Å²	72	87.3 Å²	87.3	39%	0.385	48%	0.475	S	S	.	.			trans	-155.1	162.4	171.4	-167.5	10.3	0	0	0	109.6	K183 L346	K183-D363 IonicContact NZ-OD1 3.49Å; K183-D363 PolarHBondContact NZ-OD1 2.84Å; K183-D363 IonicContact NZ-OD2 3.65Å; K183-D363 PolarHBondContact NZ-OD2 3.08Å; L346-D363 WeakPolarHBondContact CD2-OD1 3.13Å
364	V	96.1	Very high	85.7	Confident	26 Å²	26	89.1 Å²	89.1	16%	0.158	48%	0.484	C	S	.	.			trans	-90.3	100.2	177	-178.2	0	0	0	0	109.7	K183 F214 V342 K345 L346 I349 R366 I367	K183-V364 PolarHBondContact NZ-O 3.35Å; F214-V364 HydrophobicContact CD2-CG1 4.39Å; F214-V364 VanDerWaalsContact CD2-O 3.25Å; F214-V364 WeakPolarHBondContact CD2-O 3.05Å; F214-V364 HydrophobicContact CE2-CB 4.4Å; F214-V364 HydrophobicContact CE2-CG1 4.07Å; V342-V364 HydrophobicContact CG1-CG1 4.27Å; K345-V364 HydrophobicContact CB-CG2 4.45Å; K345-V364 HydrophobicContact CG-CG2 3.95Å; L346-V364 HydrophobicContact CD2-CB 4.04Å; L346-V364 HydrophobicContact CD2-CG2 3.95Å; L346-V364 HydrophobicContact CG-CG2 4.25Å; I349-V364 HydrophobicContact CD1-CG2 4.04Å; V364-R366 WeakPolarHBondContact CG1-O 3.43Å; V364-I367 HydrophobicContact CG1-CG2 4.13Å
365	L	96	Very high	86.5	Confident	121 Å²	121	93.7 Å²	93.7	63%	0.634	49%	0.485	S	S	*	.			trans	-79.7	-30.3	-174.7	-62	179.8	0	0	0	114.3	F214	F214-L365 WeakPolarHBondContact CB-O 3.44Å; F214-L365 PolarHBondContact N-O 2.98Å
366	R	96.4	Very high	87.5	Confident	53 Å²	53	89.4 Å²	89.4	20%	0.2	46%	0.462	C	S	.	.			trans	-139.1	153.4	-179.6	-59.3	-152.3	76.7	141.2	-0.1	111	E213 D217 V364 T370	E213-R366 HydrophobicContact CB-CG 3.84Å; E213-R366 IonicContact OE1-CZ 3.22Å; E213-R366 IonicContact OE1-NE 2.65Å; E213-R366 IonicContact OE1-NH1 3.8Å; E213-R366 PolarHBondContact OE1-NH1 3Å; D217-R366 IonicContact OD1-CZ 2.65Å; D217-R366 IonicContact OD1-NE 3.91Å; D217-R366 PolarHBondContact OD1-NE 2.99Å; D217-R366 IonicContact OD1-NH2 2.72Å; D217-R366 PolarHBondContact OD1-NH2 3.39Å; D217-R366 WeakPolarHBondContact OD2-CA 3.36Å; D217-R366 WeakPolarHBondContact OD2-CB 3.29Å; D217-R366 IonicContact OD2-NE 3.58Å; D217-R366 PolarHBondContact OD2-NE 3.06Å; V364-R366 WeakPolarHBondContact CG1-O 3.43Å; R366-T370 WeakPolarHBondContact CD-OG1 3.34Å; R366-T370 PolarHBondContact NH1-OG1 2.71Å
367	I	97.3	Very high	88.9	Confident	17 Å²	17	93 Å²	93	9%	0.087	48%	0.479	C	S	.	.	S	Bend	trans	-123.2	-4.9	173.2	67	175.1	0	0	0	112.3	L187 F214 D217 I218 I221 H338 F339 V342 V364	L187-I367 HydrophobicContact CD1-CD1 4.26Å; F214-I367 HydrophobicContact CD2-CG2 3.85Å; F214-I367 HydrophobicContact CE2-CG2 3.44Å; F214-I367 VanDerWaalsContact CE2-CG2 3.44Å; F214-I367 HydrophobicContact CZ-CG2 4.23Å; D217-I367 HydrophobicContact CB-CD1 4.2Å; D217-I367 HydrophobicContact CB-CG1 3.43Å; D217-I367 VanDerWaalsContact CB-CG1 3.43Å; D217-I367 PolarHBondContact OD2-N 3.32Å; I218-I367 HydrophobicContact CG1-CD1 3.65Å; I221-I367 HydrophobicContact CD1-CD1 4Å; I221-I367 HydrophobicContact CD1-CG1 4.22Å; H338-I367 PolarHBondContact NE2-O 3.3Å; F339-I367 HydrophobicContact CD1-CD1 4.3Å; F339-I367 HydrophobicContact CE1-CD1 3.71Å; V342-I367 HydrophobicContact CB-CG2 4.34Å; V342-I367 HydrophobicContact CG1-CG2 3.72Å; V342-I367 HydrophobicContact CG2-CB 4.28Å; V342-I367 HydrophobicContact CG2-CG2 3.69Å; V364-I367 HydrophobicContact CG1-CG2 4.13Å
368	C	96.5	Very high	90.3	Very high	29 Å²	29	95 Å²	95	20%	0.196	47%	0.472	C	S	.	.	S	Bend	trans	-117.6	159.9	169.6	-66.6	0	0	0	0	111.1	D217 I221 I373	D217-C368 HydrophobicContact CB-CB 4.08Å; D217-C368 PolarHBondContact OD2-N 3.07Å; I221-C368 VanDerWaalsContact CD1-SG 3.5Å; C368-I373 HydrophobicContact CB-CD1 3.49Å; C368-I373 VanDerWaalsContact CB-CD1 3.49Å; C368-I373 HydrophobicContact CB-CG1 4.19Å
369	H	95.8	Very high	91.7	Very high	135 Å²	135	90.4 Å²	90.4	63%	0.625	44%	0.441	S	S	*	.			trans	-72.1	125.2	166.1	-72.9	-75.3	0	0	0	109.7	E371 I372	H369-E371 PolarHBondContact O-N 3.3Å; H369-I372 HydrophobicContact CB-CD1 3.99Å; H369-I372 HydrophobicContact CB-CG1 4.05Å; H369-I372 PolarHBondContact O-N 2.95Å; H369-I372 VanDerWaalsContact O-N 3.07Å
370	T	93.6	Very high	93.4	Very high	39 Å²	39	87.2 Å²	87.2	24%	0.239	42%	0.424	C	S	.	.	H	α-helix	trans	-53.3	-41.6	-178.5	-58.6	0	0	0	0	111.9	R366 I372 I373 E374	R366-T370 WeakPolarHBondContact CD-OG1 3.34Å; R366-T370 PolarHBondContact NH1-OG1 2.71Å; T370-I372 PolarHBondContact O-N 3.15Å; T370-I373 PolarHBondContact O-N 3.13Å; T370-E374 HydrophobicContact CG2-CG 3.97Å; T370-E374 VanDerWaalsContact CG2-OE1 3.25Å; T370-E374 WeakPolarHBondContact CG2-OE1 3.44Å; T370-E374 WeakPolarHBondContact O-CG 3.41Å; T370-E374 PolarHBondContact O-N 3.09Å
371	E	95.3	Very high	94.8	Very high	110 Å²	110	88.9 Å²	88.9	51%	0.514	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-21.9	-176.1	-50.9	85	173.2	0	0	112.9	H369 R375	H369-E371 PolarHBondContact O-N 3.3Å; E371-R375 WeakPolarHBondContact O-CD 3.43Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-NE 2.9Å
372	I	94.7	Very high	95.6	Very high	96 Å²	96	83.7 Å²	83.7	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-76.7	-46.1	177	-63.1	179.9	0	0	0	109.8	Y220 H369 T370 R375	Y220-I372 HydrophobicContact CE1-CG2 4.24Å; H369-I372 HydrophobicContact CB-CD1 3.99Å; H369-I372 HydrophobicContact CB-CG1 4.05Å; H369-I372 PolarHBondContact O-N 2.95Å; H369-I372 VanDerWaalsContact O-N 3.07Å; T370-I372 PolarHBondContact O-N 3.15Å; I372-R375 PolarHBondContact O-N 2.87Å
373	I	95	Very high	96	Very high	2 Å²	2	78.3 Å²	78.3	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-70.5	-43.6	-177.3	-65.9	174.1	0	0	0	110.5	I216 D217 Y220 C368 T370 R375 D376 F379 M380	I216-I373 HydrophobicContact CG2-CG2 4.44Å; D217-I373 HydrophobicContact CB-CD1 4.32Å; D217-I373 WeakPolarHBondContact OD1-CD1 3.28Å; Y220-I373 HydrophobicContact CD1-CD1 4.26Å; Y220-I373 HydrophobicContact CD1-CG1 3.76Å; Y220-I373 HydrophobicContact CD2-CG1 4.41Å; Y220-I373 HydrophobicContact CE1-CG1 3.95Å; Y220-I373 HydrophobicContact CG-CD1 4.36Å; Y220-I373 HydrophobicContact CG-CG1 4Å; C368-I373 HydrophobicContact CB-CD1 3.49Å; C368-I373 VanDerWaalsContact CB-CD1 3.49Å; C368-I373 HydrophobicContact CB-CG1 4.19Å; T370-I373 PolarHBondContact O-N 3.13Å; I373-R375 PolarHBondContact O-N 3.35Å; I373-D376 PolarHBondContact O-N 3.14Å; I373-F379 HydrophobicContact CG2-CD1 4.09Å; I373-F379 HydrophobicContact CG2-CE1 4.04Å; I373-M380 HydrophobicContact CG2-SD 3.67Å; I373-M380 WeakPolarHBondContact O-CG 3.42Å
374	E	94.4	Very high	96.2	Very high	115 Å²	115	80.1 Å²	80.1	54%	0.537	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-18.5	-179.7	-70.8	-178.5	167.5	0	0	113.5	T370	T370-E374 HydrophobicContact CG2-CG 3.97Å; T370-E374 VanDerWaalsContact CG2-OE1 3.25Å; T370-E374 WeakPolarHBondContact CG2-OE1 3.44Å; T370-E374 WeakPolarHBondContact O-CG 3.41Å; T370-E374 PolarHBondContact O-N 3.09Å
375	R	96.5	Very high	96.3	Very high	204 Å²	204	80.2 Å²	80.2	77%	0.77	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.6	173.8	-75.8	173.8	-171.2	-171.9	3	113.4	E371 I372 I373 D377	E371-R375 WeakPolarHBondContact O-CD 3.43Å; E371-R375 WeakPolarHBondContact O-CG 3.42Å; E371-R375 PolarHBondContact O-NE 2.9Å; I372-R375 PolarHBondContact O-N 2.87Å; I373-R375 PolarHBondContact O-N 3.35Å; R375-D377 PolarHBondContact O-N 2.98Å
376	D	97.1	Very high	96.3	Very high	47 Å²	47	75.4 Å²	75.4	25%	0.251	36%	0.358	S	S	.	.			trans	-88.2	82	173.4	-169	-21.5	0	0	0	109.9	Y220 I373 K378 F379 M380	Y220-D376 HydrophobicContact CE2-CB 4.03Å; I373-D376 PolarHBondContact O-N 3.14Å; D376-K378 PolarHBondContact O-N 2.97Å; D376-K378 PolarHBondContact OD1-N 3.32Å; D376-F379 HydrophobicContact CB-CB 3.96Å; D376-F379 VanDerWaalsContact CG-CB 3.43Å; D376-F379 PolarHBondContact O-N 3.42Å; D376-F379 PolarHBondContact OD1-N 3.4Å; D376-M380 WeakPolarHBondContact O-CG 3.34Å; D376-M380 PolarHBondContact O-N 3.23Å
377	D	97.1	Very high	96.4	Very high	112 Å²	112	73.7 Å²	73.7	60%	0.599	35%	0.353	S	S	*	.	H	α-helix	trans	-55.5	-35.6	-178.9	-68.7	-33.7	0	0	0	112.5	R375 Q381	R375-D377 PolarHBondContact O-N 2.98Å; D377-Q381 WeakPolarHBondContact O-CB 3.47Å; D377-Q381 WeakPolarHBondContact O-CG 2.99Å; D377-Q381 PolarHBondContact O-N 3.32Å
378	K	96.6	Very high	96.5	Very high	170 Å²	170	78.2 Å²	78.2	74%	0.739	37%	0.374	S	S	*	.	H	α-helix	trans	-69.4	-45.6	-178.7	-69.3	-177.4	-179.5	177.8	0	110.6	D376 F382	D376-K378 PolarHBondContact O-N 2.97Å; D376-K378 PolarHBondContact OD1-N 3.32Å; K378-F382 WeakPolarHBondContact O-CB 3.42Å; K378-F382 PolarHBondContact O-N 2.85Å
379	F	96.3	Very high	96.5	Very high	23 Å²	23	80.7 Å²	80.7	10%	0.101	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-43	176.3	178.4	-99	0	0	0	111.7	I216 I219 Y220 I373 D376 F382 I383	I216-F379 HydrophobicContact CG2-CE1 3.6Å; I216-F379 HydrophobicContact CG2-CZ 4Å; I219-F379 HydrophobicContact CG2-CE2 4.15Å; I219-F379 HydrophobicContact CG2-CZ 4.27Å; Y220-F379 HydrophobicContact CD2-CB 4.33Å; Y220-F379 AromaticContact CD2-CD1 3.47Å; Y220-F379 HydrophobicContact CD2-CD1 3.47Å; Y220-F379 VanDerWaalsContact CD2-CD1 3.47Å; Y220-F379 AromaticContact CD2-CD2 3.83Å; Y220-F379 HydrophobicContact CD2-CD2 3.83Å; Y220-F379 AromaticContact CD2-CE1 3.55Å; Y220-F379 HydrophobicContact CD2-CE1 3.55Å; Y220-F379 AromaticContact CD2-CE2 3.91Å; Y220-F379 HydrophobicContact CD2-CE2 3.91Å; Y220-F379 AromaticContact CD2-CG 3.6Å; Y220-F379 HydrophobicContact CD2-CG 3.6Å; Y220-F379 AromaticContact CD2-CZ 3.77Å; Y220-F379 HydrophobicContact CD2-CZ 3.77Å; Y220-F379 HydrophobicContact CE2-CB 4.21Å; Y220-F379 AromaticContact CE2-CD1 3.98Å; Y220-F379 HydrophobicContact CE2-CD1 3.98Å; Y220-F379 HydrophobicContact CE2-CD2 4.47Å; Y220-F379 HydrophobicContact CE2-CE1 4.47Å; Y220-F379 AromaticContact CE2-CG 3.97Å; Y220-F379 HydrophobicContact CE2-CG 3.97Å; Y220-F379 HydrophobicContact CG-CD1 4.46Å; Y220-F379 HydrophobicContact CG-CE1 4.15Å; Y220-F379 HydrophobicContact CG-CZ 4.22Å; I373-F379 HydrophobicContact CG2-CD1 4.09Å; I373-F379 HydrophobicContact CG2-CE1 4.04Å; D376-F379 HydrophobicContact CB-CB 3.96Å; D376-F379 VanDerWaalsContact CG-CB 3.43Å; D376-F379 PolarHBondContact O-N 3.42Å; D376-F379 PolarHBondContact OD1-N 3.4Å; F379-F382 WeakPolarHBondContact O-CB 3.17Å; F379-F382 PolarHBondContact O-N 2.81Å; F379-I383 HydrophobicContact CD1-CG1 4.2Å; F379-I383 HydrophobicContact CD2-CG1 4.35Å; F379-I383 HydrophobicContact CE1-CG1 3.67Å; F379-I383 HydrophobicContact CE2-CD1 4.16Å; F379-I383 HydrophobicContact CE2-CG1 3.84Å; F379-I383 HydrophobicContact CZ-CD1 3.95Å; F379-I383 HydrophobicContact CZ-CG1 3.46Å; F379-I383 VanDerWaalsContact CZ-CG1 3.46Å; F379-I383 PolarHBondContact O-N 3.34Å
380	M	96.9	Very high	96.6	Very high	44 Å²	44	76 Å²	76	22%	0.217	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-43.6	178.7	-71.7	-57.4	-67	0	0	112.1	I373 D376 F382 I383 Q384	I373-M380 HydrophobicContact CG2-SD 3.67Å; I373-M380 WeakPolarHBondContact O-CG 3.42Å; D376-M380 WeakPolarHBondContact O-CG 3.34Å; D376-M380 PolarHBondContact O-N 3.23Å; M380-F382 VanDerWaalsContact C-N 3.34Å; M380-F382 PolarHBondContact O-N 2.88Å; M380-I383 PolarHBondContact O-N 3.28Å; M380-Q384 WeakPolarHBondContact O-CB 3.3Å; M380-Q384 VanDerWaalsContact O-CG 3.28Å; M380-Q384 WeakPolarHBondContact O-CG 3.4Å; M380-Q384 PolarHBondContact O-N 2.74Å
381	Q	97.4	Very high	96.8	Very high	137 Å²	137	75.8 Å²	75.8	64%	0.64	37%	0.366	S	S	*	.	H	α-helix	trans	-60.9	-43.1	173.4	-74.9	172.6	12.5	0	0	111.8	D377 G385	D377-Q381 WeakPolarHBondContact O-CB 3.47Å; D377-Q381 WeakPolarHBondContact O-CG 2.99Å; D377-Q381 PolarHBondContact O-N 3.32Å; Q381-G385 PolarHBondContact O-N 2.88Å
382	F	96.4	Very high	96.9	Very high	86 Å²	86	76 Å²	76	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-52.5	176.5	165.2	-104	0	0	0	111.8	K378 F379 M380 M386	K378-F382 WeakPolarHBondContact O-CB 3.42Å; K378-F382 PolarHBondContact O-N 2.85Å; F379-F382 WeakPolarHBondContact O-CB 3.17Å; F379-F382 PolarHBondContact O-N 2.81Å; M380-F382 VanDerWaalsContact C-N 3.34Å; M380-F382 PolarHBondContact O-N 2.88Å; F382-M386 HydrophobicContact CE1-SD 4.41Å; F382-M386 HydrophobicContact CZ-SD 4.09Å; F382-M386 WeakPolarHBondContact O-CB 3.43Å; F382-M386 PolarHBondContact O-N 3.48Å
383	I	97.1	Very high	97	Very high	7 Å²	7	78 Å²	78	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-44.5	-177.9	-74.7	-58	0	0	0	111.8	I216 I219 F379 M380 M386 N387	I216-I383 HydrophobicContact CD1-CB 4.38Å; I216-I383 HydrophobicContact CD1-CD1 3.88Å; I216-I383 HydrophobicContact CD1-CG1 4.11Å; I216-I383 HydrophobicContact CD1-CG2 3.35Å; I216-I383 HydrophobicContact CG1-CG2 4.03Å; I219-I383 HydrophobicContact CG2-CD1 4.21Å; F379-I383 HydrophobicContact CD1-CG1 4.2Å; F379-I383 HydrophobicContact CD2-CG1 4.35Å; F379-I383 HydrophobicContact CE1-CG1 3.67Å; F379-I383 HydrophobicContact CE2-CD1 4.16Å; F379-I383 HydrophobicContact CE2-CG1 3.84Å; F379-I383 HydrophobicContact CZ-CD1 3.95Å; F379-I383 HydrophobicContact CZ-CG1 3.46Å; F379-I383 VanDerWaalsContact CZ-CG1 3.46Å; F379-I383 PolarHBondContact O-N 3.34Å; M380-I383 PolarHBondContact O-N 3.28Å; I383-M386 HydrophobicContact CD1-CE 4Å; I383-N387 VanDerWaalsContact O-CB 3.26Å; I383-N387 WeakPolarHBondContact O-CB 3.44Å; I383-N387 PolarHBondContact O-N 3.42Å; I383-N387 PolarHBondContact O-ND2 2.88Å
384	Q	97.3	Very high	97.2	Very high	110 Å²	110	79.3 Å²	79.3	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-51.8	179.5	-72	176.4	4.6	0	0	111.1	M380 M386 N387 E388	M380-Q384 WeakPolarHBondContact O-CB 3.3Å; M380-Q384 VanDerWaalsContact O-CG 3.28Å; M380-Q384 WeakPolarHBondContact O-CG 3.4Å; M380-Q384 PolarHBondContact O-N 2.74Å; Q384-M386 PolarHBondContact O-N 3.12Å; Q384-N387 PolarHBondContact O-N 3.44Å; Q384-E388 WeakPolarHBondContact O-CG 3.39Å; Q384-E388 PolarHBondContact O-N 3.13Å
385	G	97.9	Very high	97.4	Very high	28 Å²	28	77.5 Å²	77.5	29%	0.289	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-44.9	179.3	0	0	0	0	0	112.4	Q381 N387 E388 D389	Q381-G385 PolarHBondContact O-N 2.88Å; G385-N387 PolarHBondContact O-N 3.37Å; G385-E388 PolarHBondContact O-N 3.32Å; G385-D389 WeakPolarHBondContact O-CB 3.47Å; G385-D389 PolarHBondContact O-N 2.83Å
386	M	97.5	Very high	97.4	Very high	19 Å²	19	72.8 Å²	72.8	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-59	-47.6	175.9	178.5	-156.4	68.9	0	0	112.2	T210 I231 F382 I383 Q384 D389 F390	T210-M386 WeakPolarHBondContact OG1-CE 3.07Å; I231-M386 HydrophobicContact CB-SD 3.46Å; I231-M386 WeakPolarHBondContact CB-SD 3.05Å; I231-M386 HydrophobicContact CD1-CE 3.91Å; I231-M386 HydrophobicContact CD1-SD 3.53Å; I231-M386 VanDerWaalsContact CD1-SD 3.53Å; I231-M386 HydrophobicContact CG1-SD 3.94Å; I231-M386 HydrophobicContact CG2-SD 3.65Å; F382-M386 HydrophobicContact CE1-SD 4.41Å; F382-M386 HydrophobicContact CZ-SD 4.09Å; F382-M386 WeakPolarHBondContact O-CB 3.43Å; F382-M386 PolarHBondContact O-N 3.48Å; I383-M386 HydrophobicContact CD1-CE 4Å; Q384-M386 PolarHBondContact O-N 3.12Å; M386-D389 PolarHBondContact O-N 3.16Å; M386-F390 HydrophobicContact CG-CD2 3.71Å; M386-F390 HydrophobicContact CG-CE2 3.51Å; M386-F390 VanDerWaalsContact O-CD2 3.25Å; M386-F390 WeakPolarHBondContact O-CD2 3.18Å; M386-F390 PolarHBondContact O-N 3.09Å; M386-F390 HydrophobicContact SD-CD2 4.49Å; M386-F390 HydrophobicContact SD-CE2 4.06Å
387	N	98.1	Very high	97.5	Very high	17 Å²	17	71.2 Å²	71.2	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-43.4	-179.8	-86.8	-23.1	0	0	0	111.9	T210 F211 I383 Q384 G385 A391	T210-N387 PolarHBondContact O-ND2 3.07Å; T210-N387 PolarHBondContact OG1-OD1 3.11Å; F211-N387 HydrophobicContact CD1-CB 4.21Å; F211-N387 HydrophobicContact CE1-CB 3.89Å; I383-N387 VanDerWaalsContact O-CB 3.26Å; I383-N387 WeakPolarHBondContact O-CB 3.44Å; I383-N387 PolarHBondContact O-N 3.42Å; I383-N387 PolarHBondContact O-ND2 2.88Å; Q384-N387 PolarHBondContact O-N 3.44Å; G385-N387 PolarHBondContact O-N 3.37Å; N387-A391 WeakPolarHBondContact O-CB 3.45Å; N387-A391 PolarHBondContact O-N 3.41Å
388	E	98.3	Very high	97.5	Very high	112 Å²	112	70 Å²	70	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-43.7	175.4	-73.4	-175.9	-174.6	0	0	112.2	Q384 G385 A391 K392	Q384-E388 WeakPolarHBondContact O-CG 3.39Å; Q384-E388 PolarHBondContact O-N 3.13Å; G385-E388 PolarHBondContact O-N 3.32Å; E388-A391 PolarHBondContact O-N 3.21Å; E388-K392 VanDerWaalsContact O-CG 3.27Å; E388-K392 WeakPolarHBondContact O-CG 3.3Å; E388-K392 PolarHBondContact O-N 2.89Å; E388-K392 IonicContact OE2-NZ 3.71Å
389	D	97.8	Very high	97.5	Very high	82 Å²	82	65.7 Å²	65.7	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-41.1	-178.2	-75	-10.2	0	0	0	111.9	G385 M386 K392 H393	G385-D389 WeakPolarHBondContact O-CB 3.47Å; G385-D389 PolarHBondContact O-N 2.83Å; M386-D389 PolarHBondContact O-N 3.16Å; D389-K392 PolarHBondContact O-N 2.83Å; D389-K392 IonicContact OD1-NZ 3.14Å; D389-K392 PolarHBondContact OD1-NZ 3.46Å; D389-K392 VanDerWaalsContact OD1-NZ 3.14Å; D389-H393 PolarHBondContact O-N 3.34Å; D389-H393 VanDerWaalsContact O-N 3.16Å; D389-H393 PolarHBondContact O-ND1 3.03Å
390	F	97.4	Very high	97.5	Very high	37 Å²	37	69.1 Å²	69.1	16%	0.162	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-43.7	171.4	-79.5	-55.2	0	0	0	111.9	I231 K233 M386 K392 H393 Q394	I231-F390 HydrophobicContact CG2-CE2 3.95Å; I231-F390 HydrophobicContact CG2-CZ 4.41Å; K233-F390 HydrophobicContact CB-CD1 4.3Å; K233-F390 HydrophobicContact CB-CE1 3.48Å; K233-F390 VanDerWaalsContact CB-CE1 3.48Å; K233-F390 HydrophobicContact CB-CZ 4.19Å; K233-F390 HydrophobicContact CD-CD1 4.45Å; K233-F390 HydrophobicContact CD-CE1 4.42Å; M386-F390 HydrophobicContact CG-CD2 3.71Å; M386-F390 HydrophobicContact CG-CE2 3.51Å; M386-F390 VanDerWaalsContact O-CD2 3.25Å; M386-F390 WeakPolarHBondContact O-CD2 3.18Å; M386-F390 PolarHBondContact O-N 3.09Å; M386-F390 HydrophobicContact SD-CD2 4.49Å; M386-F390 HydrophobicContact SD-CE2 4.06Å; F390-K392 PolarHBondContact O-N 3.22Å; F390-H393 PolarHBondContact O-N 3.44Å; F390-Q394 VanDerWaalsContact O-CB 3.28Å; F390-Q394 WeakPolarHBondContact O-CB 3.47Å; F390-Q394 PolarHBondContact O-N 2.54Å
391	A	97.3	Very high	97.5	Very high	34 Å²	34	72 Å²	72	28%	0.281	38%	0.379	S	S	.	.	H	α-helix	trans	-60.9	-44.6	178.6	0	0	0	0	0	111.8	N387 E388 H393 Q394 C395	N387-A391 WeakPolarHBondContact O-CB 3.45Å; N387-A391 PolarHBondContact O-N 3.41Å; E388-A391 PolarHBondContact O-N 3.21Å; A391-H393 PolarHBondContact O-N 2.84Å; A391-Q394 PolarHBondContact O-N 3.04Å; A391-C395 WeakPolarHBondContact O-CB 3.47Å; A391-C395 PolarHBondContact O-N 2.94Å; A391-C395 PolarHBondContact O-SG 3.16Å
392	K	98.2	Very high	97.4	Very high	114 Å²	114	70.3 Å²	70.3	50%	0.496	37%	0.374	S	S	.	.	H	α-helix	trans	-56.8	-51.2	176	-71.8	165.2	-162.4	154.9	0	111.4	E388 D389 F390 Q394 C395 V396	E388-K392 VanDerWaalsContact O-CG 3.27Å; E388-K392 WeakPolarHBondContact O-CG 3.3Å; E388-K392 PolarHBondContact O-N 2.89Å; E388-K392 IonicContact OE2-NZ 3.71Å; D389-K392 PolarHBondContact O-N 2.83Å; D389-K392 IonicContact OD1-NZ 3.14Å; D389-K392 PolarHBondContact OD1-NZ 3.46Å; D389-K392 VanDerWaalsContact OD1-NZ 3.14Å; F390-K392 PolarHBondContact O-N 3.22Å; K392-Q394 PolarHBondContact O-N 3.08Å; K392-C395 PolarHBondContact O-N 2.97Å; K392-V396 WeakPolarHBondContact O-CG2 3.44Å; K392-V396 PolarHBondContact O-N 3.16Å; K392-V396 VanDerWaalsContact O-N 3.17Å
393	H	97.5	Very high	97.5	Very high	137 Å²	137	68.1 Å²	68.1	63%	0.634	37%	0.372	S	S	*	.	H	α-helix	trans	-65.4	-39.4	-179.8	-71.8	92.6	0	0	0	112.5	D389 F390 A391 V396 A397	D389-H393 PolarHBondContact O-N 3.34Å; D389-H393 VanDerWaalsContact O-N 3.16Å; D389-H393 PolarHBondContact O-ND1 3.03Å; F390-H393 PolarHBondContact O-N 3.44Å; A391-H393 PolarHBondContact O-N 2.84Å; H393-V396 PolarHBondContact O-N 2.86Å; H393-A397 PolarHBondContact O-N 2.81Å
394	Q	97.7	Very high	97.4	Very high	31 Å²	31	70.9 Å²	70.9	15%	0.145	38%	0.384	C	S	.	.	H	α-helix	trans	-66.7	-40.6	178.4	-169.1	176.3	6.2	0	0	111.7	A240 S242 F390 A391 K392 V396 A397 L398	A240-Q394 WeakPolarHBondContact O-CG 3.44Å; A240-Q394 PolarHBondContact O-NE2 2.76Å; S242-Q394 PolarHBondContact OG-NE2 3.4Å; S242-Q394 VanDerWaalsContact OG-NE2 3.11Å; F390-Q394 VanDerWaalsContact O-CB 3.28Å; F390-Q394 WeakPolarHBondContact O-CB 3.47Å; F390-Q394 PolarHBondContact O-N 2.54Å; A391-Q394 PolarHBondContact O-N 3.04Å; K392-Q394 PolarHBondContact O-N 3.08Å; Q394-V396 PolarHBondContact O-N 2.76Å; Q394-A397 PolarHBondContact O-N 3.28Å; Q394-L398 HydrophobicContact CG-CD1 4.14Å; Q394-L398 WeakPolarHBondContact O-CB 3.37Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 2.87Å
395	C	98.1	Very high	97.4	Very high	77 Å²	77	69 Å²	69	52%	0.52	38%	0.383	S	S	.	.	H	α-helix	trans	-58	-47.3	173.3	-76.6	0	0	0	0	111.5	A391 K392 A397 L398 S399	A391-C395 WeakPolarHBondContact O-CB 3.47Å; A391-C395 PolarHBondContact O-N 2.94Å; A391-C395 PolarHBondContact O-SG 3.16Å; K392-C395 PolarHBondContact O-N 2.97Å; C395-A397 VanDerWaalsContact C-N 3.32Å; C395-A397 PolarHBondContact O-N 3.32Å; C395-L398 PolarHBondContact O-N 3.36Å; C395-S399 PolarHBondContact O-N 2.76Å; C395-S399 PolarHBondContact O-OG 2.85Å; C395-S399 VanDerWaalsContact O-OG 3.13Å
396	V	98.1	Very high	97.3	Very high	104 Å²	104	74.9 Å²	74.9	63%	0.63	40%	0.403	S	S	*	.	H	α-helix	trans	-59.3	-44.1	176.2	173.4	0	0	0	0	111.2	K392 H393 Q394 S399 K400	K392-V396 WeakPolarHBondContact O-CG2 3.44Å; K392-V396 PolarHBondContact O-N 3.16Å; K392-V396 VanDerWaalsContact O-N 3.17Å; H393-V396 PolarHBondContact O-N 2.86Å; Q394-V396 PolarHBondContact O-N 2.76Å; V396-S399 PolarHBondContact O-N 2.66Å; V396-K400 WeakPolarHBondContact O-CB 3.47Å; V396-K400 PolarHBondContact O-N 3.46Å
397	A	97.5	Very high	97.3	Very high	15 Å²	15	77.2 Å²	77.2	12%	0.124	42%	0.415	C	S	.	.	H	α-helix	trans	-65.7	-38.5	179	0	0	0	0	0	112.9	P239 A240 H393 Q394 C395 K400 L401	P239-A397 HydrophobicContact CB-CB 3.79Å; P239-A397 HydrophobicContact CG-CB 4.23Å; A240-A397 HydrophobicContact CB-CB 4Å; H393-A397 PolarHBondContact O-N 2.81Å; Q394-A397 PolarHBondContact O-N 3.28Å; C395-A397 VanDerWaalsContact C-N 3.32Å; C395-A397 PolarHBondContact O-N 3.32Å; A397-K400 PolarHBondContact O-N 3.35Å; A397-L401 PolarHBondContact O-N 2.93Å
398	L	97.5	Very high	97.1	Very high	87 Å²	87	84.1 Å²	84.1	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-66.6	-44.4	174.7	-74.7	166.6	0	0	0	111.6	A240 Q394 C395 K400 L401 L402	A240-L398 HydrophobicContact CB-CD2 3.95Å; A240-L398 HydrophobicContact CB-CG 4.15Å; Q394-L398 HydrophobicContact CG-CD1 4.14Å; Q394-L398 WeakPolarHBondContact O-CB 3.37Å; Q394-L398 WeakPolarHBondContact O-CG 3.3Å; Q394-L398 PolarHBondContact O-N 2.87Å; C395-L398 PolarHBondContact O-N 3.36Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.25Å; L398-L401 PolarHBondContact O-N 3.43Å; L398-L402 PolarHBondContact O-N 3.48Å
399	S	97.7	Very high	96.9	Very high	79 Å²	79	85.7 Å²	85.7	55%	0.552	46%	0.459	S	S	*	.	H	α-helix	trans	-60.1	-40.1	173.9	-62.6	0	0	0	0	111.7	C395 V396 L402 A403	C395-S399 PolarHBondContact O-N 2.76Å; C395-S399 PolarHBondContact O-OG 2.85Å; C395-S399 VanDerWaalsContact O-OG 3.13Å; V396-S399 PolarHBondContact O-N 2.66Å; S399-L402 PolarHBondContact O-N 2.75Å; S399-A403 PolarHBondContact O-N 3.15Å
400	K	96.9	Very high	96.8	Very high	95 Å²	95	85.1 Å²	85.1	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-62	-44.9	174.2	-174.4	176.1	-179.2	174.9	0	111.7	V396 A397 L398 L402 A403 F404 E412	V396-K400 WeakPolarHBondContact O-CB 3.47Å; V396-K400 PolarHBondContact O-N 3.46Å; A397-K400 PolarHBondContact O-N 3.35Å; L398-K400 VanDerWaalsContact C-N 3.29Å; L398-K400 PolarHBondContact O-N 3.25Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.08Å; K400-A403 PolarHBondContact O-N 3.2Å; K400-F404 HydrophobicContact CD-CE2 4.34Å; K400-F404 HydrophobicContact CG-CD2 3.89Å; K400-F404 HydrophobicContact CG-CE2 3.72Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 PolarHBondContact O-N 2.87Å; K400-E412 IonicContact NZ-OE2 3.48Å; K400-E412 PolarHBondContact NZ-OE2 3.15Å
401	L	95.3	Very high	96.6	Very high	105 Å²	105	88.3 Å²	88.3	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-60.1	-41.4	176.1	-79.6	171.6	0	0	0	112.2	A240 A397 L398 F404 S405	A240-L401 HydrophobicContact CB-CD1 3.34Å; A240-L401 HydrophobicContact CB-CG 4.45Å; A397-L401 PolarHBondContact O-N 2.93Å; L398-L401 PolarHBondContact O-N 3.43Å; L401-F404 PolarHBondContact O-N 3.04Å; L401-S405 PolarHBondContact O-N 3.24Å
402	L	96.5	Very high	96.4	Very high	100 Å²	100	89.9 Å²	89.9	52%	0.524	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-41.4	177	-173.5	66.2	0	0	0	111.9	L398 S399 K400 F404 S405 Q406	L398-L402 PolarHBondContact O-N 3.48Å; S399-L402 PolarHBondContact O-N 2.75Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.08Å; L402-F404 PolarHBondContact O-N 3.5Å; L402-S405 PolarHBondContact O-N 2.89Å; L402-S405 PolarHBondContact O-OG 3.42Å; L402-Q406 WeakPolarHBondContact O-CG 3.43Å; L402-Q406 PolarHBondContact O-N 3.41Å
403	A	97.3	Very high	96.2	Very high	41 Å²	41	90.3 Å²	90.3	34%	0.339	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.8	0	0	0	0	0	111.8	S399 K400 Q406 N407 L410	S399-A403 PolarHBondContact O-N 3.15Å; K400-A403 PolarHBondContact O-N 3.2Å; A403-Q406 PolarHBondContact O-N 3.08Å; A403-N407 PolarHBondContact O-N 2.9Å; A403-L410 HydrophobicContact CB-CD1 4.32Å
404	F	96.5	Very high	96.2	Very high	65 Å²	65	89.5 Å²	89.5	29%	0.285	48%	0.483	S	S	.	.	H	α-helix	trans	-70.4	-30.2	179.2	-83.6	-122.5	0	0	0	112.8	K400 L401 L402 Q406 N407 L410	K400-F404 HydrophobicContact CD-CE2 4.34Å; K400-F404 HydrophobicContact CG-CD2 3.89Å; K400-F404 HydrophobicContact CG-CE2 3.72Å; K400-F404 WeakPolarHBondContact O-CD2 3.49Å; K400-F404 PolarHBondContact O-N 2.87Å; L401-F404 PolarHBondContact O-N 3.04Å; L402-F404 PolarHBondContact O-N 3.5Å; F404-Q406 VanDerWaalsContact C-N 3.33Å; F404-N407 CarbonylContact O-C 3.47Å; F404-L410 HydrophobicContact CD1-CB 3.91Å; F404-L410 WeakPolarHBondContact CD1-O 3.34Å; F404-L410 HydrophobicContact CD2-CB 3.92Å; F404-L410 HydrophobicContact CD2-CD1 3.8Å; F404-L410 HydrophobicContact CE1-CB 3.83Å; F404-L410 WeakPolarHBondContact CE1-O 3.47Å; F404-L410 HydrophobicContact CE2-CB 3.84Å; F404-L410 HydrophobicContact CE2-CD1 4.04Å; F404-L410 HydrophobicContact CG-CB 3.96Å; F404-L410 HydrophobicContact CG-CD1 4.39Å; F404-L410 HydrophobicContact CZ-CB 3.8Å
405	S	95.9	Very high	96	Very high	71 Å²	71	94 Å²	94	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-73.4	-26.4	174.6	72.1	0	0	0	0	112.8	L401 L402 H408	L401-S405 PolarHBondContact O-N 3.24Å; L402-S405 PolarHBondContact O-N 2.89Å; L402-S405 PolarHBondContact O-OG 3.42Å; S405-H408 PolarHBondContact O-NE2 3.43Å
406	Q	96.7	Very high	95.8	Very high	150 Å²	150	96.2 Å²	96.2	70%	0.701	51%	0.511	S	S	*	.	H	α-helix	trans	-85.7	-29.7	176.2	-68.9	174.7	-7.5	0	0	112.8	L402 A403 F404	L402-Q406 WeakPolarHBondContact O-CG 3.43Å; L402-Q406 PolarHBondContact O-N 3.41Å; A403-Q406 PolarHBondContact O-N 3.08Å; F404-Q406 VanDerWaalsContact C-N 3.33Å
407	N	96.9	Very high	95.7	Very high	68 Å²	68	96.5 Å²	96.5	36%	0.364	51%	0.505	S	S	.	.			trans	-127.5	97.7	179.3	-176.9	-0.6	0	0	0	111.4	A403 F404 N409 L410	A403-N407 PolarHBondContact O-N 2.9Å; F404-N407 CarbonylContact O-C 3.47Å; N407-N409 PolarHBondContact O-N 3.4Å; N407-N409 VanDerWaalsContact O-N 3.16Å; N407-N409 WeakPolarHBondContact OD1-CB 3.4Å; N407-N409 PolarHBondContact OD1-N 3.41Å; N407-L410 HydrophobicContact CB-CD1 3.97Å; N407-L410 HydrophobicContact CB-CG 4.04Å; N407-L410 WeakPolarHBondContact O-CB 3.03Å; N407-L410 PolarHBondContact O-N 3.14Å; N407-L410 VanDerWaalsContact O-N 3.17Å
408	H	93.4	Very high	95.7	Very high	163 Å²	163	99.3 Å²	99.3	76%	0.755	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.9	-179.1	-62	174.7	0	0	0	114.5	S405 L410	S405-H408 PolarHBondContact O-NE2 3.43Å; H408-L410 VanDerWaalsContact C-N 3.29Å
409	N	95.8	Very high	95.6	Very high	144 Å²	144	101.5 Å²	101.5	77%	0.77	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-10	174.6	-62.6	-34.4	0	0	0	112.6	N407	N407-N409 PolarHBondContact O-N 3.4Å; N407-N409 VanDerWaalsContact O-N 3.16Å; N407-N409 WeakPolarHBondContact OD1-CB 3.4Å; N407-N409 PolarHBondContact OD1-N 3.41Å
410	L	95.2	Very high	95.5	Very high	71 Å²	71	103.7 Å²	103.7	37%	0.372	52%	0.521	S	S	.	.			trans	-74.5	128.1	176.3	-64.5	175.9	0	0	0	110.4	A403 F404 N407 H408	A403-L410 HydrophobicContact CB-CD1 4.32Å; F404-L410 HydrophobicContact CD1-CB 3.91Å; F404-L410 WeakPolarHBondContact CD1-O 3.34Å; F404-L410 HydrophobicContact CD2-CB 3.92Å; F404-L410 HydrophobicContact CD2-CD1 3.8Å; F404-L410 HydrophobicContact CE1-CB 3.83Å; F404-L410 WeakPolarHBondContact CE1-O 3.47Å; F404-L410 HydrophobicContact CE2-CB 3.84Å; F404-L410 HydrophobicContact CE2-CD1 4.04Å; F404-L410 HydrophobicContact CG-CB 3.96Å; F404-L410 HydrophobicContact CG-CD1 4.39Å; F404-L410 HydrophobicContact CZ-CB 3.8Å; N407-L410 HydrophobicContact CB-CD1 3.97Å; N407-L410 HydrophobicContact CB-CG 4.04Å; N407-L410 WeakPolarHBondContact O-CB 3.03Å; N407-L410 PolarHBondContact O-N 3.14Å; N407-L410 VanDerWaalsContact O-N 3.17Å; H408-L410 VanDerWaalsContact C-N 3.29Å
411	T	92.9	Very high	95.4	Very high	103 Å²	103	101.5 Å²	101.5	63%	0.632	52%	0.52	S	S	*	.			trans	-134.1	149.7	179.4	60.7	0	0	0	0	111
412	E	93.1	Very high	95.5	Very high	67 Å²	67	98 Å²	98	31%	0.313	51%	0.505	S	S	.	.			trans	-93.2	99.9	170.8	-176.5	61.4	-113.2	0	0	109.5	K400 R414 Q415	K400-E412 IonicContact NZ-OE2 3.48Å; K400-E412 PolarHBondContact NZ-OE2 3.15Å; E412-R414 PolarHBondContact O-N 2.9Å; E412-Q415 HydrophobicContact CB-CG 3.84Å; E412-Q415 HydrophobicContact CG-CG 3.72Å; E412-Q415 WeakPolarHBondContact O-CG 3.34Å
413	T	94.6	Very high	95.4	Very high	123 Å²	123	93.7 Å²	93.7	76%	0.755	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.9	-170	54.1	0	0	0	0	113.8
414	R	95.8	Very high	95.3	Very high	120 Å²	120	99.2 Å²	99.2	45%	0.453	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.1	-175.7	-62.1	-176.9	63	-160.3	-3.7	114.6	E412 D416 E417 L418	E412-R414 PolarHBondContact O-N 2.9Å; R414-D416 PolarHBondContact O-N 2.7Å; R414-E417 IonicContact CZ-OE1 3.26Å; R414-E417 IonicContact NE-OE1 3.59Å; R414-E417 IonicContact NE-OE2 3.8Å; R414-E417 IonicContact NH2-OE1 2.91Å; R414-E417 PolarHBondContact NH2-OE1 3.22Å; R414-E417 PolarHBondContact O-N 3.06Å; R414-L418 HydrophobicContact CB-CD1 4.16Å; R414-L418 HydrophobicContact CB-CG 4.33Å; R414-L418 WeakPolarHBondContact O-CB 3.38Å; R414-L418 WeakPolarHBondContact O-CG 3.41Å; R414-L418 PolarHBondContact O-N 3.27Å
415	Q	94.7	Very high	95.3	Very high	127 Å²	127	103.6 Å²	103.6	59%	0.593	52%	0.52	S	S	*	.	H	α-helix	trans	-57.5	-46.6	-173.4	-76.3	-177.9	-15.5	0	0	113.2	E412 L418 Y419	E412-Q415 HydrophobicContact CB-CG 3.84Å; E412-Q415 HydrophobicContact CG-CG 3.72Å; E412-Q415 WeakPolarHBondContact O-CG 3.34Å; Q415-L418 PolarHBondContact O-N 3.14Å; Q415-Y419 VanDerWaalsContact O-CB 3.24Å; Q415-Y419 WeakPolarHBondContact O-CB 3.41Å; Q415-Y419 PolarHBondContact O-N 3.44Å
416	D	94.4	Very high	95.3	Very high	122 Å²	122	101.2 Å²	101.2	65%	0.652	50%	0.5	S	S	*	.	H	α-helix	trans	-68.4	-38.7	-177.4	-71.7	-17.1	0	0	0	112.7	R414 K420	R414-D416 PolarHBondContact O-N 2.7Å; D416-K420 WeakPolarHBondContact O-CG 3.34Å; D416-K420 PolarHBondContact O-N 2.62Å; D416-K420 VanDerWaalsContact O-N 3.14Å
417	E	96.5	Very high	95.1	Very high	110 Å²	110	101.1 Å²	101.1	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-62.1	-52.2	174.7	-179	-158.6	133	0	0	110.3	R414 Y419 K420 A421	R414-E417 IonicContact CZ-OE1 3.26Å; R414-E417 IonicContact NE-OE1 3.59Å; R414-E417 IonicContact NE-OE2 3.8Å; R414-E417 IonicContact NH2-OE1 2.91Å; R414-E417 PolarHBondContact NH2-OE1 3.22Å; R414-E417 PolarHBondContact O-N 3.06Å; E417-Y419 VanDerWaalsContact C-N 3.32Å; E417-Y419 PolarHBondContact O-N 3.3Å; E417-K420 PolarHBondContact O-N 3.33Å; E417-A421 WeakPolarHBondContact O-CB 3.39Å; E417-A421 PolarHBondContact O-N 3.33Å
418	L	95.9	Very high	94.8	Very high	75 Å²	75	99.2 Å²	99.2	39%	0.393	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-38.5	-179.8	-70.6	173.9	0	0	0	112	R414 Q415 A421 C422	R414-L418 HydrophobicContact CB-CD1 4.16Å; R414-L418 HydrophobicContact CB-CG 4.33Å; R414-L418 WeakPolarHBondContact O-CB 3.38Å; R414-L418 WeakPolarHBondContact O-CG 3.41Å; R414-L418 PolarHBondContact O-N 3.27Å; Q415-L418 PolarHBondContact O-N 3.14Å; L418-A421 PolarHBondContact O-N 2.99Å; L418-C422 VanDerWaalsContact O-CB 3.23Å; L418-C422 WeakPolarHBondContact O-CB 3.04Å; L418-C422 PolarHBondContact O-N 2.82Å; L418-C422 PolarHBondContact O-SG 2.99Å
419	Y	94.9	Very high	94.4	Very high	132 Å²	132	95 Å²	95	52%	0.518	47%	0.473	S	S	.	.	H	α-helix	trans	-57.7	-52.4	174.7	169.1	-103.7	0	0	0	111.4	Q415 E417 C422 L423	Q415-Y419 VanDerWaalsContact O-CB 3.24Å; Q415-Y419 WeakPolarHBondContact O-CB 3.41Å; Q415-Y419 PolarHBondContact O-N 3.44Å; E417-Y419 VanDerWaalsContact C-N 3.32Å; E417-Y419 PolarHBondContact O-N 3.3Å; Y419-C422 PolarHBondContact O-N 2.94Å; Y419-L423 HydrophobicContact CD1-CD1 4.43Å; Y419-L423 HydrophobicContact CD2-CD1 4.41Å; Y419-L423 HydrophobicContact CD2-CG 4.48Å; Y419-L423 HydrophobicContact CE1-CD1 3.75Å; Y419-L423 HydrophobicContact CE2-CD1 3.73Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CE2-CG 4.15Å; Y419-L423 WeakPolarHBondContact O-CG 3.45Å; Y419-L423 PolarHBondContact O-N 3.44Å; Y419-L423 WeakPolarHBondContact OH-CD1 3.38Å
420	K	95.6	Very high	93.9	Very high	125 Å²	125	93.8 Å²	93.8	54%	0.543	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-46.7	178.8	-70	173.4	-175.1	173.6	0	111.5	D416 E417 C422 L423 E424 I430	D416-K420 WeakPolarHBondContact O-CG 3.34Å; D416-K420 PolarHBondContact O-N 2.62Å; D416-K420 VanDerWaalsContact O-N 3.14Å; E417-K420 PolarHBondContact O-N 3.33Å; K420-C422 VanDerWaalsContact C-N 3.31Å; K420-C422 PolarHBondContact O-N 2.82Å; K420-L423 PolarHBondContact O-N 3.48Å; K420-E424 WeakPolarHBondContact O-CB 3.1Å; K420-E424 PolarHBondContact O-N 3.06Å; K420-I430 HydrophobicContact CG-CD1 4.46Å
421	A	96.5	Very high	93.2	Very high	49 Å²	49	95.4 Å²	95.4	41%	0.405	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-37.9	179	0	0	0	0	0	112.4	E417 L418 K425	E417-A421 WeakPolarHBondContact O-CB 3.39Å; E417-A421 PolarHBondContact O-N 3.33Å; L418-A421 PolarHBondContact O-N 2.99Å; A421-K425 VanDerWaalsContact O-CB 3.24Å; A421-K425 WeakPolarHBondContact O-CB 3.25Å; A421-K425 PolarHBondContact O-N 3.38Å
422	C	97.3	Very high	92.3	Very high	33 Å²	33	97.4 Å²	97.4	22%	0.223	48%	0.481	C	S	.	.	H	α-helix	trans	-66.4	-46.2	175.7	-75.5	0	0	0	0	111.8	L418 Y419 K420 E424 K425 W426	L418-C422 VanDerWaalsContact O-CB 3.23Å; L418-C422 WeakPolarHBondContact O-CB 3.04Å; L418-C422 PolarHBondContact O-N 2.82Å; L418-C422 PolarHBondContact O-SG 2.99Å; Y419-C422 PolarHBondContact O-N 2.94Å; K420-C422 VanDerWaalsContact C-N 3.31Å; K420-C422 PolarHBondContact O-N 2.82Å; C422-E424 VanDerWaalsContact C-N 3.34Å; C422-E424 PolarHBondContact O-N 3.46Å; C422-K425 PolarHBondContact O-N 3.36Å; C422-W426 HydrophobicContact CB-CD2 4.26Å; C422-W426 HydrophobicContact CB-CE3 4.12Å; C422-W426 HydrophobicContact CB-CH2 3.53Å; C422-W426 HydrophobicContact CB-CZ2 3.7Å; C422-W426 HydrophobicContact CB-CZ3 3.77Å; C422-W426 WeakPolarHBondContact O-CB 3.41Å; C422-W426 PolarHBondContact O-N 3.05Å
423	L	94.5	Very high	91.5	Very high	9 Å²	9	102.5 Å²	102.5	5%	0.047	50%	0.497	C	S	.	.	H	α-helix	trans	-62.2	-42.9	177.8	-67.6	-172.5	0	0	0	111.9	M1 Y419 K420 W426 K427 I428 I430	M1-L423 HydrophobicContact CE-CD2 3.41Å; M1-L423 VanDerWaalsContact CE-CD2 3.41Å; Y419-L423 HydrophobicContact CD1-CD1 4.43Å; Y419-L423 HydrophobicContact CD2-CD1 4.41Å; Y419-L423 HydrophobicContact CD2-CG 4.48Å; Y419-L423 HydrophobicContact CE1-CD1 3.75Å; Y419-L423 HydrophobicContact CE2-CD1 3.73Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CE2-CG 4.15Å; Y419-L423 WeakPolarHBondContact O-CG 3.45Å; Y419-L423 PolarHBondContact O-N 3.44Å; Y419-L423 WeakPolarHBondContact OH-CD1 3.38Å; K420-L423 PolarHBondContact O-N 3.48Å; L423-W426 CarbonylContact O-C 3.59Å; L423-W426 PolarHBondContact O-N 2.87Å; L423-K427 PolarHBondContact O-N 3.18Å; L423-I428 HydrophobicContact CB-CB 4.43Å; L423-I428 HydrophobicContact CD2-CB 3.92Å; L423-I428 HydrophobicContact CD2-CG2 3.93Å; L423-I428 PolarHBondContact O-N 3.3Å; L423-I430 HydrophobicContact CD1-CG1 3.68Å
424	E	95.2	Very high	90.4	Very high	157 Å²	157	103.7 Å²	103.7	73%	0.734	49%	0.488	S	S	*	.	H	α-helix	trans	-60.8	-51.5	174.9	-176.3	176.3	-172.2	0	0	111.4	K420 C422 W426 K427	K420-E424 WeakPolarHBondContact O-CB 3.1Å; K420-E424 PolarHBondContact O-N 3.06Å; C422-E424 VanDerWaalsContact C-N 3.34Å; C422-E424 PolarHBondContact O-N 3.46Å; E424-W426 VanDerWaalsContact C-N 3.29Å; E424-W426 PolarHBondContact O-N 3.19Å; E424-K427 WeakPolarHBondContact O-CA 3.48Å; E424-K427 PolarHBondContact O-N 3.44Å
425	K	95.6	Very high	89	Confident	157 Å²	157	102.6 Å²	102.6	68%	0.683	50%	0.497	S	S	*	.	H	α-helix	trans	-57.3	-43	178.3	-177.9	169.1	-175.8	168.4	0	112.1	A421 C422 K427	A421-K425 VanDerWaalsContact O-CB 3.24Å; A421-K425 WeakPolarHBondContact O-CB 3.25Å; A421-K425 PolarHBondContact O-N 3.38Å; C422-K425 PolarHBondContact O-N 3.36Å; K425-K427 PolarHBondContact O-N 2.89Å
426	W	95.5	Very high	87.1	Confident	20 Å²	20	100 Å²	100	8%	0.076	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	3.8	178.8	-53.7	-23.1	0	0	0	112.8	M1 N5 S8 R43 V235 T236 C422 L423 E424 I428	M1-W426 HydrophobicContact CE-CE3 3.62Å; M1-W426 HydrophobicContact CE-CZ3 3.69Å; N5-W426 HydrophobicContact CB-CD2 4.14Å; N5-W426 HydrophobicContact CB-CE3 4.44Å; N5-W426 HydrophobicContact CB-CH2 3.99Å; N5-W426 HydrophobicContact CB-CZ2 3.62Å; N5-W426 HydrophobicContact CB-CZ3 4.37Å; N5-W426 PolarHBondContact ND2-NE1 3.45Å; S8-W426 VanDerWaalsContact CB-CD1 3.45Å; R43-W426 PolarHBondContact NH2-O 2.67Å; V235-W426 HydrophobicContact CG2-CH2 4.17Å; V235-W426 HydrophobicContact CG2-CZ2 3.75Å; T236-W426 HydrophobicContact CG2-CH2 3.26Å; T236-W426 HydrophobicContact CG2-CZ2 4.12Å; T236-W426 HydrophobicContact CG2-CZ3 3.69Å; C422-W426 HydrophobicContact CB-CD2 4.26Å; C422-W426 HydrophobicContact CB-CE3 4.12Å; C422-W426 HydrophobicContact CB-CH2 3.53Å; C422-W426 HydrophobicContact CB-CZ2 3.7Å; C422-W426 HydrophobicContact CB-CZ3 3.77Å; C422-W426 WeakPolarHBondContact O-CB 3.41Å; C422-W426 PolarHBondContact O-N 3.05Å; L423-W426 CarbonylContact O-C 3.59Å; L423-W426 PolarHBondContact O-N 2.87Å; E424-W426 VanDerWaalsContact C-N 3.29Å; E424-W426 PolarHBondContact O-N 3.19Å; W426-I428 VanDerWaalsContact C-N 3.26Å; W426-I428 HydrophobicContact CB-CG1 3.92Å; W426-I428 PolarHBondContact O-N 3.17Å
427	K	92.9	Very high	84.9	Confident	149 Å²	149	98.3 Å²	98.3	65%	0.648	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	45	-178.9	-54.6	177.5	-178.4	178.4	0	112	R43 L423 E424 K425	R43-K427 PolarHBondContact NH1-O 2.91Å; L423-K427 PolarHBondContact O-N 3.18Å; E424-K427 WeakPolarHBondContact O-CA 3.48Å; E424-K427 PolarHBondContact O-N 3.44Å; K425-K427 PolarHBondContact O-N 2.89Å
428	I	90.3	Very high	82.8	Confident	27 Å²	27	95.3 Å²	95.3	14%	0.138	47%	0.469	C	S	.	.			trans	-104.2	119.6	175.1	-57.1	-60.2	0	0	0	107.7	M1 A4 Y39 W42 R43 L423 W426	M1-I428 HydrophobicContact CE-CG1 4.2Å; M1-I428 HydrophobicContact CE-CG2 4.48Å; A4-I428 HydrophobicContact CB-CD1 3.91Å; A4-I428 HydrophobicContact CB-CG1 4.21Å; Y39-I428 HydrophobicContact CE2-CD1 4.17Å; W42-I428 HydrophobicContact CE3-CD1 4.35Å; W42-I428 HydrophobicContact CH2-CD1 3.45Å; W42-I428 VanDerWaalsContact CH2-CD1 3.45Å; W42-I428 HydrophobicContact CZ3-CD1 3.27Å; R43-I428 VanDerWaalsContact NH2-CD1 3.28Å; L423-I428 HydrophobicContact CB-CB 4.43Å; L423-I428 HydrophobicContact CD2-CB 3.92Å; L423-I428 HydrophobicContact CD2-CG2 3.93Å; L423-I428 PolarHBondContact O-N 3.3Å; W426-I428 VanDerWaalsContact C-N 3.26Å; W426-I428 HydrophobicContact CB-CG1 3.92Å; W426-I428 PolarHBondContact O-N 3.17Å
429	P	86.1	Confident	80.3	Confident	74 Å²	74	95 Å²	95	48%	0.481	47%	0.472	S	S	.	.			trans	-67.3	141	178	28.8	-33.8	0	0	0	110.6	W42 T431	W42-P429 HydrophobicContact CZ2-CG 4.06Å; P429-T431 PolarHBondContact O-N 2.69Å
430	I	84.5	Confident	77.9	Confident	120 Å²	120	91.9 Å²	91.9	62%	0.615	46%	0.463	S	S	*	.			trans	-76	94.1	170.8	-60.8	164.5	0	0	0	107.2	K420 L423	K420-I430 HydrophobicContact CG-CD1 4.46Å; L423-I430 HydrophobicContact CD1-CG1 3.68Å
431	T	79.6	Confident	75.5	Confident	105 Å²	105	87.5 Å²	87.5	64%	0.644	45%	0.446	S	S	*	.			trans	-131.1	142.9	179.9	-49.7	0	0	0	0	109.4	P429 R433	P429-T431 PolarHBondContact O-N 2.69Å; T431-R433 PolarHBondContact O-N 3.26Å
432	E	74.8	Confident	73.1	Confident	144 Å²	144	88.1 Å²	88.1	67%	0.673	45%	0.447	S	S	*	.			trans	-61.6	131.5	173.2	-170.9	-177.4	-165	0	0	110.6	R434	E432-R434 PolarHBondContact O-N 3.32Å
433	R	77.1	Confident	70.7	Confident	174 Å²	174	91.4 Å²	91.4	66%	0.657	47%	0.467	S	S	*	.			trans	-75.6	93.3	174.2	-172.5	178.3	-172.3	-163.4	1.8	109	E38 D117 L119 T431	E38-R433 IonicContact OE2-NH2 2.73Å; D117-R433 PolarHBondContact O-NH2 2.91Å; L119-R433 HydrophobicContact CD1-CG 4.03Å; T431-R433 PolarHBondContact O-N 3.26Å
434	R	71	Confident	68.2	Low	148 Å²	148	94.6 Å²	94.6	56%	0.558	48%	0.484	S	S	*	.			trans	-128.1	154.7	175.5	63.4	-172.7	-176.7	177.7	2.2	110.2	E432 V436	E432-R434 PolarHBondContact O-N 3.32Å; R434-V436 WeakPolarHBondContact O-CG2 3.46Å; R434-V436 PolarHBondContact O-N 3.03Å
435	P	65.1	Low	66.2	Low	98 Å²	98	90.8 Å²	90.8	64%	0.636	46%	0.463	S	S	*	.			trans	-56.2	107.1	168.5	-21.3	32.4	0	0	0	108.6	L119 P437	L119-P435 HydrophobicContact CD1-CG 4.48Å; L119-P435 HydrophobicContact CD2-CB 4.32Å; L119-P435 HydrophobicContact CD2-CG 4.42Å; P435-P437 WeakPolarHBondContact O-CD 3.43Å
436	V	55.1	Low	64.2	Low	71 Å²	71	86.1 Å²	86.1	43%	0.43	45%	0.449	S	S	.	.			trans	-79.1	124.8	173.7	-164.6	0	0	0	0	105.5	R434 W438 L441	R434-V436 WeakPolarHBondContact O-CG2 3.46Å; R434-V436 PolarHBondContact O-N 3.03Å; V436-W438 PolarHBondContact O-N 2.8Å; V436-L441 WeakPolarHBondContact O-CD1 3.38Å
437	P	49.3	Very low	62.3	Low	88 Å²	88	89.1 Å²	89.1	57%	0.571	48%	0.479	S	S	*	.			trans	-67.8	86.5	175.6	26.1	-31.2	0	0	0	108.8	P435 N444	P435-P437 WeakPolarHBondContact O-CD 3.43Å; P437-N444 WeakPolarHBondContact CA-ND2 3.23Å; P437-N444 WeakPolarHBondContact CB-ND2 3.37Å
438	W	51.9	Low	60.3	Low	46 Å²	46	87.9 Å²	87.9	17%	0.174	48%	0.478	C	S	.	.			trans	-58.9	133	160.1	-67.7	99.4	0	0	0	106.4	V436 L440 L441 N444 Y480	V436-W438 PolarHBondContact O-N 2.8Å; W438-L440 PolarHBondContact O-N 3.46Å; W438-L441 HydrophobicContact CB-CD1 4.13Å; W438-L441 HydrophobicContact CB-CG 4.07Å; W438-L441 PolarHBondContact O-N 3.13Å; W438-N444 PolarHBondContact O-ND2 3.05Å; W438-Y480 HydrophobicContact CE3-CD1 4.2Å; W438-Y480 WeakPolarHBondContact CZ3-O 3.35Å
439	P	43.8	Very low	58.3	Low	70 Å²	70	89.1 Å²	89.1	46%	0.455	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-13.8	-174.6	-27.2	32.9	0	0	0	114.9
440	L	45.1	Very low	56.7	Low	65 Å²	65	91.5 Å²	91.5	34%	0.34	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	3	-176.7	-61.1	176.1	0	0	0	115.1	W438 S442	W438-L440 PolarHBondContact O-N 3.46Å; L440-S442 PolarHBondContact O-N 3.02Å
441	L	45	Very low	55.2	Low	33 Å²	33	96.6 Å²	96.6	17%	0.173	50%	0.495	C	S	.	.	S	Bend	trans	-55.2	136.6	170.4	-84.6	164.7	0	0	0	109.2	V436 W438 T443 N444 R445	V436-L441 WeakPolarHBondContact O-CD1 3.38Å; W438-L441 HydrophobicContact CB-CD1 4.13Å; W438-L441 HydrophobicContact CB-CG 4.07Å; W438-L441 PolarHBondContact O-N 3.13Å; L441-T443 PolarHBondContact O-N 2.83Å; L441-N444 WeakPolarHBondContact O-CA 3.48Å; L441-N444 PolarHBondContact O-N 3.48Å; L441-R445 PolarHBondContact O-N 3.25Å
442	S	46.1	Very low	53.6	Low	63 Å²	63	98 Å²	98	44%	0.441	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-51.4	-32.9	-177.3	50.4	0	0	0	0	113	L440 N444	L440-S442 PolarHBondContact O-N 3.02Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact O-N 3.4Å
443	T	45.5	Very low	52.4	Low	102 Å²	102	94.5 Å²	94.5	63%	0.626	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-67.6	-27.3	175.7	50.2	0	0	0	0	114.1	L441	L441-T443 PolarHBondContact O-N 2.83Å
444	N	43.2	Very low	50.8	Low	75 Å²	75	88.3 Å²	88.3	40%	0.401	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-101.1	-0.8	-178.1	-62.4	-34.6	0	0	0	113.9	P437 W438 L441 S442 S446	P437-N444 WeakPolarHBondContact CA-ND2 3.23Å; P437-N444 WeakPolarHBondContact CB-ND2 3.37Å; W438-N444 PolarHBondContact O-ND2 3.05Å; L441-N444 WeakPolarHBondContact O-CA 3.48Å; L441-N444 PolarHBondContact O-N 3.48Å; S442-N444 VanDerWaalsContact C-N 3.34Å; S442-N444 PolarHBondContact O-N 3.4Å; N444-S446 PolarHBondContact O-N 2.89Å; N444-S446 VanDerWaalsContact O-N 3.12Å
445	R	51.7	Low	49.4	Very low	78 Å²	78	86.6 Å²	86.6	29%	0.294	48%	0.476	S	S	.	.			trans	-58.3	119.9	176.6	-69.1	177.9	-178.2	179	1.1	109.1	L441 I449 R450 L453	L441-R445 PolarHBondContact O-N 3.25Å; R445-I449 HydrophobicContact CB-CB 4.15Å; R445-I449 HydrophobicContact CB-CG2 3.94Å; R445-I449 HydrophobicContact CG-CG2 3.79Å; R445-R450 HydrophobicContact CB-CG 3.94Å; R445-L453 VanDerWaalsContact CZ-CD1 3.47Å
446	S	53.8	Low	48.1	Very low	58 Å²	58	89.4 Å²	89.4	41%	0.406	49%	0.485	S	S	.	.			trans	-56.9	155	170.8	80.3	0	0	0	0	109.6	N444 I448 I449 R450	N444-S446 PolarHBondContact O-N 2.89Å; N444-S446 VanDerWaalsContact O-N 3.12Å; S446-I448 PolarHBondContact O-N 2.85Å; S446-I449 PolarHBondContact O-N 3.18Å; S446-I449 PolarHBondContact OG-N 3.37Å; S446-R450 PolarHBondContact O-N 2.59Å
447	A	55.5	Low	46.9	Very low	84 Å²	84	90.8 Å²	90.8	69%	0.694	50%	0.498	S	S	*	.	H	α-helix	trans	-53.6	-31	178.4	0	0	0	0	0	112.3	R451	A447-R451 WeakPolarHBondContact O-CB 3.42Å; A447-R451 PolarHBondContact O-N 3.17Å
448	I	50.9	Low	46.1	Very low	122 Å²	122	94.6 Å²	94.6	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-45.2	174.7	-68.9	165.3	0	0	0	111.2	S446 R451 L452	S446-I448 PolarHBondContact O-N 2.85Å; I448-R451 PolarHBondContact O-N 3.14Å; I448-L452 HydrophobicContact CG2-CD1 3.83Å; I448-L452 WeakPolarHBondContact O-CB 3.48Å; I448-L452 WeakPolarHBondContact O-CG 3.45Å; I448-L452 PolarHBondContact O-N 3.38Å
449	I	49.8	Very low	45.2	Very low	54 Å²	54	100.2 Å²	100.2	28%	0.277	54%	0.536	S	S	.	.	H	α-helix	trans	-66.9	-38.7	178.4	-66.1	-177.4	0	0	0	111	R445 S446 R451 L452 L453	R445-I449 HydrophobicContact CB-CB 4.15Å; R445-I449 HydrophobicContact CB-CG2 3.94Å; R445-I449 HydrophobicContact CG-CG2 3.79Å; S446-I449 PolarHBondContact O-N 3.18Å; S446-I449 PolarHBondContact OG-N 3.37Å; I449-R451 VanDerWaalsContact C-N 3.31Å; I449-R451 PolarHBondContact O-N 2.77Å; I449-L452 PolarHBondContact O-N 3.39Å; I449-L453 HydrophobicContact CG2-CD1 3.56Å; I449-L453 HydrophobicContact CG2-CG 4.15Å; I449-L453 WeakPolarHBondContact O-CB 3.34Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.7Å
450	R	52.5	Low	44.6	Very low	123 Å²	123	102.1 Å²	102.1	46%	0.464	55%	0.546	S	S	.	.	H	α-helix	trans	-62	-39.9	173.4	-67.7	-170.7	-165.1	167.5	2.8	112.2	R445 S446 G454	R445-R450 HydrophobicContact CB-CG 3.94Å; S446-R450 PolarHBondContact O-N 2.59Å; R450-G454 PolarHBondContact O-N 2.97Å
451	R	52.3	Low	44	Very low	227 Å²	227	105.1 Å²	105.1	86%	0.857	56%	0.556	S	S	*	*	H	α-helix	trans	-68.6	-36.2	177.8	-164.6	177.4	-176.7	176.3	1.1	112.6	A447 I448 I449	A447-R451 WeakPolarHBondContact O-CB 3.42Å; A447-R451 PolarHBondContact O-N 3.17Å; I448-R451 PolarHBondContact O-N 3.14Å; I449-R451 VanDerWaalsContact C-N 3.31Å; I449-R451 PolarHBondContact O-N 2.77Å
452	L	46.4	Very low	43.3	Very low	135 Å²	135	106 Å²	106	71%	0.707	57%	0.566	S	S	*	*	H	α-helix	trans	-73.7	-35.5	177.3	-77.6	166	0	0	0	113.1	I448 I449 G454	I448-L452 HydrophobicContact CG2-CD1 3.83Å; I448-L452 WeakPolarHBondContact O-CB 3.48Å; I448-L452 WeakPolarHBondContact O-CG 3.45Å; I448-L452 PolarHBondContact O-N 3.38Å; I449-L452 PolarHBondContact O-N 3.39Å; L452-G454 VanDerWaalsContact C-N 3.34Å
453	L	49.5	Very low	42.7	Very low	71 Å²	71	111 Å²	111	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-83.7	-6.9	-177.8	-69.4	175.4	0	0	0	114.1	R445 I449 L471	R445-L453 VanDerWaalsContact CZ-CD1 3.47Å; I449-L453 HydrophobicContact CG2-CD1 3.56Å; I449-L453 HydrophobicContact CG2-CG 4.15Å; I449-L453 WeakPolarHBondContact O-CB 3.34Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 2.7Å; L453-L471 HydrophobicContact CD2-CD2 3.86Å
454	G	43.6	Very low	42.2	Very low	44 Å²	44	113.4 Å²	113.4	45%	0.454	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	68.5	60.7	171.5	0	0	0	0	0	113.7	R450 L452 L456	R450-G454 PolarHBondContact O-N 2.97Å; L452-G454 VanDerWaalsContact C-N 3.34Å; G454-L456 PolarHBondContact O-N 3.49Å
455	D	41.6	Very low	42.6	Very low	111 Å²	111	111.9 Å²	111.9	59%	0.594	59%	0.593	S	S	*	*			trans	-66.7	14.5	162.1	-70	-28.4	0	0	0	112.6	S457	D455-S457 PolarHBondContact O-N 2.85Å
456	L	37.3	Very low	42.8	Very low	157 Å²	157	113.1 Å²	113.1	82%	0.822	61%	0.605	S	S	*	*	S	Bend	trans	-86.4	99.2	162.4	-76	165.4	0	0	0	107.9	G454 E458	G454-L456 PolarHBondContact O-N 3.49Å; L456-E458 VanDerWaalsContact C-N 3.32Å; L456-E458 PolarHBondContact O-N 3.5Å
457	S	30.1	Very low	43.5	Very low	101 Å²	101	118 Å²	118	71%	0.706	61%	0.614	S	S	*	*			trans	-48.4	88.3	162.9	53.8	0	0	0	0	112	D455	D455-S457 PolarHBondContact O-N 2.85Å
458	E	31.6	Very low	44.1	Very low	167 Å²	167	120.7 Å²	120.7	78%	0.78	61%	0.61	S	S	*	*			trans	-142	90.6	153.9	-74	-163.5	167.4	0	0	109	L456 V460	L456-E458 VanDerWaalsContact C-N 3.32Å; L456-E458 PolarHBondContact O-N 3.5Å; E458-V460 VanDerWaalsContact C-N 3.29Å; E458-V460 HydrophobicContact CB-CG2 4.42Å; E458-V460 PolarHBondContact O-N 2.92Å
459	H	34.4	Very low	45.1	Very low	164 Å²	164	122.9 Å²	122.9	76%	0.759	62%	0.618	S	S	*	*			trans	-65.3	94.2	158.4	-70.5	-58.5	0	0	0	108.5	F461	H459-F461 VanDerWaalsContact C-N 3.3Å; H459-F461 HydrophobicContact CB-CD2 3.69Å; H459-F461 HydrophobicContact CB-CE2 3.56Å; H459-F461 AromaticContact CG-CE2 3.92Å; H459-F461 PolarHBondContact O-N 2.98Å
460	V	29.8	Very low	46.3	Very low	111 Å²	111	122 Å²	122	67%	0.673	62%	0.621	S	S	*	*			trans	-78.8	86.1	167.7	-176.2	0	0	0	0	108	E458 S462	E458-V460 VanDerWaalsContact C-N 3.29Å; E458-V460 HydrophobicContact CB-CG2 4.42Å; E458-V460 PolarHBondContact O-N 2.92Å; V460-S462 PolarHBondContact O-N 3.32Å
461	F	32.8	Very low	47.8	Very low	128 Å²	128	119.8 Å²	119.8	56%	0.561	62%	0.618	S	S	*	*			trans	-77.4	107.9	167.2	-77.6	-80	0	0	0	109.2	H459 L466	H459-F461 VanDerWaalsContact C-N 3.3Å; H459-F461 HydrophobicContact CB-CD2 3.69Å; H459-F461 HydrophobicContact CB-CE2 3.56Å; H459-F461 AromaticContact CG-CE2 3.92Å; H459-F461 PolarHBondContact O-N 2.98Å; F461-L466 HydrophobicContact CD1-CD2 4.06Å; F461-L466 HydrophobicContact CE1-CD2 4.31Å
462	S	31.7	Very low	49.5	Very low	52 Å²	52	111.2 Å²	111.2	36%	0.364	59%	0.587	S	S	.	*			trans	-85.8	121.2	165.7	167.2	0	0	0	0	109.4	V460	V460-S462 PolarHBondContact O-N 3.32Å
463	Q	32.4	Very low	51.7	Low	168 Å²	168	106.4 Å²	106.4	79%	0.785	56%	0.562	S	S	*	*	S	Bend	trans	-65	130	166.9	-62.5	-174.2	-7	0	0	108.5
464	N	36.2	Very low	53.7	Low	152 Å²	152	108.1 Å²	108.1	81%	0.813	56%	0.564	S	S	*	*	S	Bend	trans	89.7	41.3	174	-50.5	-18.6	0	0	0	117.8	K537	N464-K537 WeakPolarHBondContact O-CE 3.45Å; N464-K537 PolarHBondContact O-NZ 3.14Å
465	G	50	Low	56.1	Low	43 Å²	43	107.4 Å²	107.4	44%	0.443	55%	0.55	S	S	.	.	S	Bend	trans	127.7	109.3	171.4	0	0	0	0	0	111	R467 K537	G465-R467 PolarHBondContact O-N 3.06Å; G465-K537 PolarHBondContact O-NZ 2.79Å
466	L	57.2	Low	58.5	Low	104 Å²	104	102.5 Å²	102.5	55%	0.545	52%	0.524	S	S	.	.			trans	-77	104.7	-165.8	-79.7	145.5	0	0	0	112.1	F461 K468	F461-L466 HydrophobicContact CD1-CD2 4.06Å; F461-L466 HydrophobicContact CE1-CD2 4.31Å; L466-K468 PolarHBondContact O-N 3.27Å
467	R	67	Low	60.9	Low	160 Å²	160	98 Å²	98	60%	0.604	50%	0.503	S	S	*	.			trans	-66	128.1	157.2	-76.2	-174.3	178	163.5	7.3	108.3	G465 D538	G465-R467 PolarHBondContact O-N 3.06Å; R467-D538 IonicContact CZ-OD1 2.7Å; R467-D538 IonicContact CZ-OD2 3.38Å; R467-D538 IonicContact NE-OD2 2.69Å; R467-D538 IonicContact NH2-OD1 3.79Å; R467-D538 PolarHBondContact NH2-OD1 3.36Å; R467-D538 IonicContact NH2-OD2 3.78Å; R467-D538 PolarHBondContact NH2-OD2 3.02Å
468	K	69.2	Low	63.5	Low	141 Å²	141	95.8 Å²	95.8	61%	0.613	49%	0.487	S	S	*	.			trans	-122.7	136.1	173.2	-65.9	-176.4	179.7	-178.7	0	108.9	L466 F552	L466-K468 PolarHBondContact O-N 3.27Å; K468-F552 HydrophobicContact CB-CE2 4.15Å
469	H	71.9	Confident	65.9	Low	168 Å²	168	88.5 Å²	88.5	78%	0.778	45%	0.453	S	S	*	.			trans	-67.2	141.4	167.7	-69.9	-76.1	0	0	0	109.2	S511	H469-S511 WeakPolarHBondContact O-CB 3.27Å; H469-S511 PolarHBondContact O-OG 2.94Å; H469-S511 VanDerWaalsContact O-OG 3.05Å
470	G	73.7	Confident	67.8	Low	34 Å²	34	81.3 Å²	81.3	35%	0.351	42%	0.419	S	S	.	.			trans	-118.1	131.3	174.6	0	0	0	0	0	109.7
471	L	84.7	Confident	69.8	Low	78 Å²	78	78.1 Å²	78.1	41%	0.408	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.5	173.6	-179.4	63.6	0	0	0	108.8	L453 V513 R514	L453-L471 HydrophobicContact CD2-CD2 3.86Å; L471-V513 HydrophobicContact CD2-CG1 4.42Å; L471-V513 HydrophobicContact CD2-CG2 4.2Å; L471-V513 CarbonylContact O-C 3.52Å; L471-R514 PolarHBondContact O-N 2.86Å
472	F	89.1	Confident	72	Confident	46 Å²	46	74.5 Å²	74.5	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.3	-179.9	-73.2	-95.8	0	0	0	111.7	Y474 R514 P516 F554	F472-Y474 HydrophobicContact CB-CE2 3.95Å; F472-R514 CarbonylContact C-O 3.48Å; F472-R514 VanDerWaalsContact CA-O 3.27Å; F472-R514 WeakPolarHBondContact CA-O 3.07Å; F472-R514 HydrophobicContact CD1-CB 3.75Å; F472-R514 HydrophobicContact CE1-CB 3.69Å; F472-R514 HydrophobicContact CG-CB 4.28Å; F472-R514 HydrophobicContact CZ-CB 4.17Å; F472-P516 HydrophobicContact CD1-CB 4.09Å; F472-F554 HydrophobicContact CE1-CE1 4.34Å; F472-F554 HydrophobicContact CZ-CD1 4.23Å; F472-F554 HydrophobicContact CZ-CE1 4.16Å
473	I	92.1	Very high	74.3	Confident	34 Å²	34	74.6 Å²	74.6	17%	0.174	39%	0.388	C	S	.	.			trans	-88.7	120.3	171.3	-58.3	173.4	0	0	0	108	D475 V476 M493 A496 T500 V513 R514 P516	I473-D475 WeakPolarHBondContact CG2-O 3.36Å; I473-V476 HydrophobicContact CG2-CG2 4.01Å; I473-M493 WeakPolarHBondContact O-CE 3.41Å; I473-A496 HydrophobicContact CB-CB 4.39Å; I473-A496 HydrophobicContact CD1-CB 4.25Å; I473-A496 HydrophobicContact CG2-CB 3.91Å; I473-T500 HydrophobicContact CD1-CG2 4.31Å; I473-V513 HydrophobicContact CD1-CG1 3.61Å; I473-V513 HydrophobicContact CG1-CG1 3.83Å; I473-R514 PolarHBondContact N-O 2.95Å; I473-P516 WeakPolarHBondContact O-CD 3.17Å
474	Y	91.3	Very high	77	Confident	108 Å²	108	66.6 Å²	66.6	42%	0.424	35%	0.35	S	S	.	.			trans	-101.8	-21.8	178	-71.4	-77.3	0	0	0	113.9	F472 Y489 P516 L560	F472-Y474 HydrophobicContact CB-CE2 3.95Å; Y474-Y489 WeakPolarHBondContact O-CE2 3.37Å; Y474-Y489 PolarHBondContact O-OH 2.93Å; Y474-P516 HydrophobicContact CD1-CG 3.83Å; Y474-P516 HydrophobicContact CE1-CB 4.26Å; Y474-P516 HydrophobicContact CE1-CG 3.79Å; Y474-L560 HydrophobicContact CD1-CD1 3.35Å; Y474-L560 HydrophobicContact CE1-CD1 3.31Å; Y474-L560 HydrophobicContact CG-CD1 4.17Å
475	D	93.6	Very high	79.6	Confident	28 Å²	28	65.2 Å²	65.2	15%	0.15	33%	0.334	C	S	.	.			trans	-162.1	165.4	173	-157.8	-12.6	0	0	0	109	I473 Y489 R492 F602 F607	I473-D475 WeakPolarHBondContact CG2-O 3.36Å; D475-Y489 HydrophobicContact CB-CE2 4.08Å; D475-R492 IonicContact OD1-CZ 3.59Å; D475-R492 IonicContact OD1-NE 3.82Å; D475-R492 PolarHBondContact OD1-NE 3.04Å; D475-R492 IonicContact OD1-NH2 3.74Å; D475-R492 PolarHBondContact OD1-NH2 3.22Å; D475-R492 IonicContact OD2-CZ 3.64Å; D475-R492 IonicContact OD2-NE 2.86Å; D475-R492 IonicContact OD2-NH2 2.83Å; D475-R492 PolarHBondContact OD2-NH2 3.29Å; D475-F602 HydrophobicContact CB-CD2 4.18Å; D475-F602 HydrophobicContact CB-CE2 3.74Å; D475-F602 VanDerWaalsContact CG-CD2 3.46Å; D475-F602 WeakPolarHBondContact OD2-CD2 3.32Å; D475-F607 HydrophobicContact CB-CZ 4.04Å
476	V	91.7	Very high	81.5	Confident	8 Å²	8	72.2 Å²	72.2	5%	0.048	35%	0.352	C	S	.	.			trans	-127.4	115.6	-173.4	-177.2	0	0	0	0	111.2	I473 I479 C484 R492 A496	I473-V476 HydrophobicContact CG2-CG2 4.01Å; V476-I479 HydrophobicContact CB-CD1 4.48Å; V476-I479 HydrophobicContact CG1-CD1 3.56Å; V476-I479 HydrophobicContact CG1-CG1 3.47Å; V476-I479 VanDerWaalsContact CG1-CG1 3.47Å; V476-I479 HydrophobicContact CG2-CD1 4.18Å; V476-C484 HydrophobicContact CB-CB 4.35Å; V476-C484 HydrophobicContact CG1-CB 3.8Å; V476-R492 HydrophobicContact CB-CB 4.1Å; V476-R492 VanDerWaalsContact CG2-O 3.3Å; V476-R492 WeakPolarHBondContact CG2-O 3.39Å; V476-R492 WeakPolarHBondContact O-CD 3.4Å; V476-A496 HydrophobicContact CG2-CB 3.72Å
477	V	89.1	Confident	83.1	Confident	64 Å²	64	69.3 Å²	69.3	39%	0.388	34%	0.337	S	S	.	.	S	Bend	trans	-79.1	-47.1	166.2	177.9	0	0	0	0	110.6	C484 R485 F602	V477-C484 PolarHBondContact O-N 3.22Å; V477-R485 HydrophobicContact CB-CG 4.42Å; V477-R485 HydrophobicContact CG1-CG 3.74Å; V477-R485 PolarHBondContact O-N 3.37Å; V477-F602 HydrophobicContact CG2-CD1 3.9Å; V477-F602 HydrophobicContact CG2-CD2 3.86Å; V477-F602 HydrophobicContact CG2-CE1 3.47Å; V477-F602 VanDerWaalsContact CG2-CE1 3.47Å; V477-F602 HydrophobicContact CG2-CE2 3.4Å; V477-F602 HydrophobicContact CG2-CG 4.1Å; V477-F602 HydrophobicContact CG2-CZ 3.21Å
478	C	84.9	Confident	84.3	Confident	53 Å²	53	63.4 Å²	63.4	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	142.3	-173.1	173.2	0	0	0	0	110.7	G481 R482	C478-G481 VanDerWaalsContact SG-CA 3.55Å; C478-G481 PolarHBondContact SG-N 3.18Å; C478-G481 VanDerWaalsContact SG-N 3.42Å; C478-R482 CarbonylContact C-O 3.57Å; C478-R482 WeakPolarHBondContact CA-O 3.37Å; C478-R482 PolarHBondContact SG-O 3.41Å
479	I	81.8	Confident	85.4	Confident	14 Å²	14	57.2 Å²	57.2	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116	172.2	-72.6	165.8	0	0	0	107.7	V476 G481 R482 L495 M499	V476-I479 HydrophobicContact CB-CD1 4.48Å; V476-I479 HydrophobicContact CG1-CD1 3.56Å; V476-I479 HydrophobicContact CG1-CG1 3.47Å; V476-I479 VanDerWaalsContact CG1-CG1 3.47Å; V476-I479 HydrophobicContact CG2-CD1 4.18Å; I479-G481 PolarHBondContact O-N 2.97Å; I479-G481 VanDerWaalsContact O-N 3.12Å; I479-R482 PolarHBondContact N-O 3.1Å; I479-R482 WeakPolarHBondContact O-CB 3.4Å; I479-R482 PolarHBondContact O-N 3.43Å; I479-L495 HydrophobicContact CD1-CB 3.68Å; I479-M499 HydrophobicContact CD1-SD 4.49Å; I479-M499 HydrophobicContact CG1-SD 4.07Å; I479-M499 HydrophobicContact CG2-SD 3.89Å
480	Y	74.1	Confident	86.4	Confident	13 Å²	13	54.5 Å²	54.5	5%	0.051	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	43.6	177.3	-72.2	-85.4	0	0	0	114.4	L98 P122 E124 W438 R482 M499	L98-Y480 HydrophobicContact CD1-CD2 4.37Å; L98-Y480 HydrophobicContact CD1-CE2 4.24Å; L98-Y480 HydrophobicContact CD2-CD2 4.29Å; L98-Y480 HydrophobicContact CD2-CE2 3.83Å; P122-Y480 HydrophobicContact CB-CD1 3.84Å; P122-Y480 HydrophobicContact CB-CE1 3.45Å; P122-Y480 VanDerWaalsContact CB-CE1 3.45Å; E124-Y480 WeakPolarHBondContact CB-OH 3.14Å; E124-Y480 WeakPolarHBondContact OE2-CE1 3.34Å; E124-Y480 PolarHBondContact OE2-OH 3.29Å; W438-Y480 HydrophobicContact CE3-CD1 4.2Å; W438-Y480 WeakPolarHBondContact CZ3-O 3.35Å; Y480-R482 VanDerWaalsContact C-N 3.26Å; Y480-R482 PolarHBondContact O-N 3.09Å; Y480-M499 HydrophobicContact CE2-CE 3.86Å; Y480-M499 HydrophobicContact CE2-SD 4.21Å
481	G	72	Confident	87.2	Confident	44 Å²	44	56.7 Å²	56.7	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-9.6	179.7	0	0	0	0	0	114.9	C478 I479 D483	C478-G481 VanDerWaalsContact SG-CA 3.55Å; C478-G481 PolarHBondContact SG-N 3.18Å; C478-G481 VanDerWaalsContact SG-N 3.42Å; I479-G481 PolarHBondContact O-N 2.97Å; I479-G481 VanDerWaalsContact O-N 3.12Å; G481-D483 PolarHBondContact O-N 3.48Å
482	R	77.6	Confident	87.6	Confident	52 Å²	52	53 Å²	53	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.5	168.6	-171.9	-176.4	179.8	161.4	0.5	109.4	Q95 C478 I479 Y480 C484	Q95-R482 HydrophobicContact CB-CB 4.28Å; Q95-R482 HydrophobicContact CB-CG 3.8Å; C478-R482 CarbonylContact C-O 3.57Å; C478-R482 WeakPolarHBondContact CA-O 3.37Å; C478-R482 PolarHBondContact SG-O 3.41Å; I479-R482 PolarHBondContact N-O 3.1Å; I479-R482 WeakPolarHBondContact O-CB 3.4Å; I479-R482 PolarHBondContact O-N 3.43Å; Y480-R482 VanDerWaalsContact C-N 3.26Å; Y480-R482 PolarHBondContact O-N 3.09Å; R482-C484 PolarHBondContact O-N 2.98Å
483	D	81.4	Confident	87.9	Confident	54 Å²	54	51 Å²	51	29%	0.289	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.3	175.5	-173.2	-4.6	0	0	0	109.5	G481 R485	G481-D483 PolarHBondContact O-N 3.48Å; D483-R485 WeakPolarHBondContact OD1-CB 3.47Å; D483-R485 WeakPolarHBondContact OD1-CG 3.27Å; D483-R485 IonicContact OD1-CZ 3.31Å; D483-R485 PolarHBondContact OD1-N 3.5Å; D483-R485 IonicContact OD1-NE 2.95Å; D483-R485 PolarHBondContact OD1-NE 3.47Å; D483-R485 IonicContact OD1-NH2 3.06Å; D483-R485 IonicContact OD2-CZ 2.67Å; D483-R485 IonicContact OD2-NE 2.76Å; D483-R485 PolarHBondContact OD2-NE 3.14Å; D483-R485 IonicContact OD2-NH2 2.77Å; D483-R485 PolarHBondContact OD2-NH2 3.4Å
484	C	89.2	Confident	87.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.253	C	S	.	.			trans	-100.1	-4.9	-177.4	-61.9	0	0	0	0	112.4	V476 V477 R482 K486 L487 R492	V476-C484 HydrophobicContact CB-CB 4.35Å; V476-C484 HydrophobicContact CG1-CB 3.8Å; V477-C484 PolarHBondContact O-N 3.22Å; R482-C484 PolarHBondContact O-N 2.98Å; C484-K486 VanDerWaalsContact C-N 3.25Å; C484-K486 PolarHBondContact O-N 3.09Å; C484-K486 VanDerWaalsContact O-N 3.13Å; C484-L487 HydrophobicContact CB-CD1 4.15Å; C484-L487 WeakPolarHBondContact O-CB 3.5Å; C484-L487 PolarHBondContact O-N 2.94Å; C484-R492 HydrophobicContact CB-CG 4.25Å; C484-R492 WeakPolarHBondContact O-CD 3.39Å; C484-R492 WeakPolarHBondContact O-CG 3.44Å
485	R	89.6	Confident	88	Confident	123 Å²	123	47.7 Å²	47.7	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.3	-168.5	-70.7	175.6	-72.1	-179.3	1.5	114.3	V477 D483 S601 F602	V477-R485 HydrophobicContact CB-CG 4.42Å; V477-R485 HydrophobicContact CG1-CG 3.74Å; V477-R485 PolarHBondContact O-N 3.37Å; D483-R485 WeakPolarHBondContact OD1-CB 3.47Å; D483-R485 WeakPolarHBondContact OD1-CG 3.27Å; D483-R485 IonicContact OD1-CZ 3.31Å; D483-R485 PolarHBondContact OD1-N 3.5Å; D483-R485 IonicContact OD1-NE 2.95Å; D483-R485 PolarHBondContact OD1-NE 3.47Å; D483-R485 IonicContact OD1-NH2 3.06Å; D483-R485 IonicContact OD2-CZ 2.67Å; D483-R485 IonicContact OD2-NE 2.76Å; D483-R485 PolarHBondContact OD2-NE 3.14Å; D483-R485 IonicContact OD2-NH2 2.77Å; D483-R485 PolarHBondContact OD2-NH2 3.4Å; R485-S601 CarbonylContact O-C 3.4Å; R485-S601 WeakPolarHBondContact O-CA 3.06Å; R485-S601 WeakPolarHBondContact O-CB 3.39Å; R485-F602 HydrophobicContact CB-CB 4.06Å; R485-F602 HydrophobicContact CG-CB 4.08Å; R485-F602 HydrophobicContact CG-CG 4.44Å; R485-F602 PolarHBondContact O-N 2.9Å
486	K	90.1	Very high	88	Confident	190 Å²	190	46.3 Å²	46.3	83%	0.826	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.3	-179.5	-63.5	-172.4	178.3	-174.4	0	113.6	C484	C484-K486 VanDerWaalsContact C-N 3.25Å; C484-K486 PolarHBondContact O-N 3.09Å; C484-K486 VanDerWaalsContact O-N 3.13Å
487	L	90.5	Very high	88	Confident	44 Å²	44	51.1 Å²	51.1	23%	0.23	25%	0.249	C	C	.	.	S	Bend	trans	-76.7	150.4	-179.5	-60.5	177.3	0	0	0	110.4	C484 K491 R492 L495	C484-L487 HydrophobicContact CB-CD1 4.15Å; C484-L487 WeakPolarHBondContact O-CB 3.5Å; C484-L487 PolarHBondContact O-N 2.94Å; L487-K491 HydrophobicContact CB-CB 4.39Å; L487-K491 HydrophobicContact CD1-CG 4.38Å; L487-R492 HydrophobicContact CB-CG 3.86Å; L487-R492 WeakPolarHBondContact O-CD 3.44Å; L487-R492 PolarHBondContact O-NH1 3.47Å; L487-L495 HydrophobicContact CD1-CD1 3.57Å
488	P	92.3	Very high	88.1	Confident	35 Å²	35	51.6 Å²	51.6	23%	0.227	25%	0.247	C	C	.	.			trans	-55.2	143.9	171.5	-25.5	35.1	0	0	0	111.9	R490 K491 R492 H599	P488-R490 VanDerWaalsContact C-N 3.28Å; P488-R490 PolarHBondContact O-N 2.88Å; P488-K491 HydrophobicContact CB-CB 4.48Å; P488-K491 WeakPolarHBondContact O-CA 3.4Å; P488-K491 WeakPolarHBondContact O-CB 3.41Å; P488-K491 PolarHBondContact O-N 3.26Å; P488-R492 WeakPolarHBondContact O-CG 3.43Å; P488-R492 PolarHBondContact O-N 2.98Å; P488-H599 HydrophobicContact CB-CB 3.97Å; P488-H599 HydrophobicContact CG-CB 3.87Å; P488-H599 VanDerWaalsContact CG-CD2 3.42Å; P488-H599 WeakPolarHBondContact CG-CD2 2.88Å
489	Y	93.6	Very high	88.5	Confident	11 Å²	11	50.1 Å²	50.1	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-50.5	-46	-178.2	176.8	-109.1	0	0	0	112.9	Y474 D475 K491 R492 M493 F518 V562 H564 T605 F607	Y474-Y489 WeakPolarHBondContact O-CE2 3.37Å; Y474-Y489 PolarHBondContact O-OH 2.93Å; D475-Y489 HydrophobicContact CB-CE2 4.08Å; Y489-K491 VanDerWaalsContact C-N 3.27Å; Y489-K491 PolarHBondContact O-N 2.94Å; Y489-R492 WeakPolarHBondContact O-CB 3.45Å; Y489-R492 PolarHBondContact O-N 3.09Å; Y489-M493 HydrophobicContact CD1-CG 4.26Å; Y489-M493 HydrophobicContact CD2-CG 4.23Å; Y489-M493 HydrophobicContact CD2-SD 4.39Å; Y489-M493 HydrophobicContact CE1-CG 3.83Å; Y489-M493 HydrophobicContact CE2-CG 3.82Å; Y489-M493 HydrophobicContact CE2-SD 3.67Å; Y489-M493 HydrophobicContact CG-CG 4.46Å; Y489-M493 WeakPolarHBondContact O-CG 3.49Å; Y489-M493 PolarHBondContact O-N 3.42Å; Y489-F518 AromaticContact CD1-CE2 3.92Å; Y489-F518 HydrophobicContact CD1-CE2 3.92Å; Y489-F518 HydrophobicContact CD1-CZ 4.28Å; Y489-F518 HydrophobicContact CE1-CD2 4.06Å; Y489-F518 AromaticContact CE1-CE2 3.55Å; Y489-F518 HydrophobicContact CE1-CE2 3.55Å; Y489-F518 HydrophobicContact CE1-CZ 4.33Å; Y489-V562 HydrophobicContact CD1-CB 4.31Å; Y489-V562 HydrophobicContact CD1-CG1 3.72Å; Y489-V562 HydrophobicContact CD2-CG1 4.28Å; Y489-V562 HydrophobicContact CE1-CB 3.95Å; Y489-V562 HydrophobicContact CE1-CG1 3.67Å; Y489-V562 HydrophobicContact CE1-CG2 3.81Å; Y489-V562 HydrophobicContact CE2-CG1 4.23Å; Y489-V562 HydrophobicContact CG-CG1 4.03Å; Y489-H564 HydrophobicContact CD1-CB 4.44Å; Y489-H564 HydrophobicContact CG-CB 4.48Å; Y489-T605 HydrophobicContact CD2-CG2 4.09Å; Y489-T605 HydrophobicContact CG-CG2 4.36Å; Y489-F607 HydrophobicContact CD2-CZ 4.46Å; Y489-F607 AromaticContact CE2-CE1 3.87Å; Y489-F607 HydrophobicContact CE2-CE1 3.87Å; Y489-F607 AromaticContact CE2-CZ 3.83Å; Y489-F607 HydrophobicContact CE2-CZ 3.83Å
490	R	91.2	Very high	89	Confident	112 Å²	112	49.9 Å²	49.9	42%	0.423	24%	0.235	S	C	.	.	H	α-helix	trans	-53.8	-44.1	175.1	177.3	162.8	-161.7	167.8	9.5	112.4	P488 M493 E494 F518	P488-R490 VanDerWaalsContact C-N 3.28Å; P488-R490 PolarHBondContact O-N 2.88Å; R490-M493 PolarHBondContact O-N 2.74Å; R490-E494 IonicContact NE-OE1 3.3Å; R490-E494 WeakPolarHBondContact O-CG 3.36Å; R490-E494 PolarHBondContact O-N 2.95Å; R490-F518 HydrophobicContact CB-CE1 3.98Å; R490-F518 HydrophobicContact CB-CZ 4.06Å; R490-F518 HydrophobicContact CG-CE1 3.71Å; R490-F518 HydrophobicContact CG-CZ 4.28Å
491	K	91.6	Very high	89.8	Confident	80 Å²	80	53.4 Å²	53.4	35%	0.348	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-36	179.2	-168.4	55.9	176.1	-179.2	0	112.3	L487 P488 Y489 M493 E494 L495	L487-K491 HydrophobicContact CB-CB 4.39Å; L487-K491 HydrophobicContact CD1-CG 4.38Å; P488-K491 HydrophobicContact CB-CB 4.48Å; P488-K491 WeakPolarHBondContact O-CA 3.4Å; P488-K491 WeakPolarHBondContact O-CB 3.41Å; P488-K491 PolarHBondContact O-N 3.26Å; Y489-K491 VanDerWaalsContact C-N 3.27Å; Y489-K491 PolarHBondContact O-N 2.94Å; K491-M493 VanDerWaalsContact C-N 3.33Å; K491-E494 WeakPolarHBondContact CD-OE2 3.29Å; K491-E494 IonicContact NZ-OE2 3.38Å; K491-E494 PolarHBondContact NZ-OE2 3.5Å; K491-E494 PolarHBondContact O-N 2.71Å; K491-L495 VanDerWaalsContact O-CG 3.3Å; K491-L495 WeakPolarHBondContact O-CG 3.38Å; K491-L495 PolarHBondContact O-N 2.54Å; K491-L495 VanDerWaalsContact O-N 3.09Å
492	R	93.6	Very high	90.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-42.9	173.6	-61.2	-167.3	-49.9	-106.9	10.6	111	D475 V476 C484 L487 P488 Y489 L495 A496 L600 T605	D475-R492 IonicContact OD1-CZ 3.59Å; D475-R492 IonicContact OD1-NE 3.82Å; D475-R492 PolarHBondContact OD1-NE 3.04Å; D475-R492 IonicContact OD1-NH2 3.74Å; D475-R492 PolarHBondContact OD1-NH2 3.22Å; D475-R492 IonicContact OD2-CZ 3.64Å; D475-R492 IonicContact OD2-NE 2.86Å; D475-R492 IonicContact OD2-NH2 2.83Å; D475-R492 PolarHBondContact OD2-NH2 3.29Å; V476-R492 HydrophobicContact CB-CB 4.1Å; V476-R492 VanDerWaalsContact CG2-O 3.3Å; V476-R492 WeakPolarHBondContact CG2-O 3.39Å; V476-R492 WeakPolarHBondContact O-CD 3.4Å; C484-R492 HydrophobicContact CB-CG 4.25Å; C484-R492 WeakPolarHBondContact O-CD 3.39Å; C484-R492 WeakPolarHBondContact O-CG 3.44Å; L487-R492 HydrophobicContact CB-CG 3.86Å; L487-R492 WeakPolarHBondContact O-CD 3.44Å; L487-R492 PolarHBondContact O-NH1 3.47Å; P488-R492 WeakPolarHBondContact O-CG 3.43Å; P488-R492 PolarHBondContact O-N 2.98Å; Y489-R492 WeakPolarHBondContact O-CB 3.45Å; Y489-R492 PolarHBondContact O-N 3.09Å; R492-L495 PolarHBondContact O-N 3.48Å; R492-A496 PolarHBondContact O-N 3.13Å; R492-A496 VanDerWaalsContact O-N 3.1Å; R492-L600 PolarHBondContact NH1-O 3.01Å; R492-T605 PolarHBondContact NH2-OG1 3.45Å
493	M	94.9	Very high	91.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-70.3	-39.8	177.8	-60.2	-45.4	-65	0	0	113.4	I473 Y489 R490 K491 L495 A496 E497 V515	I473-M493 WeakPolarHBondContact O-CE 3.41Å; Y489-M493 HydrophobicContact CD1-CG 4.26Å; Y489-M493 HydrophobicContact CD2-CG 4.23Å; Y489-M493 HydrophobicContact CD2-SD 4.39Å; Y489-M493 HydrophobicContact CE1-CG 3.83Å; Y489-M493 HydrophobicContact CE2-CG 3.82Å; Y489-M493 HydrophobicContact CE2-SD 3.67Å; Y489-M493 HydrophobicContact CG-CG 4.46Å; Y489-M493 WeakPolarHBondContact O-CG 3.49Å; Y489-M493 PolarHBondContact O-N 3.42Å; R490-M493 PolarHBondContact O-N 2.74Å; K491-M493 VanDerWaalsContact C-N 3.33Å; M493-L495 VanDerWaalsContact C-N 3.3Å; M493-L495 PolarHBondContact O-N 3.22Å; M493-A496 WeakPolarHBondContact O-CB 3.45Å; M493-A496 PolarHBondContact O-N 2.65Å; M493-A496 VanDerWaalsContact O-N 3.14Å; M493-E497 PolarHBondContact O-N 2.58Å; M493-V515 HydrophobicContact CE-CG1 3.58Å
494	E	92.5	Very high	92.1	Very high	66 Å²	66	48.5 Å²	48.5	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-58	-43.1	172.4	-75	170.2	-165.4	0	0	111.7	R490 K491 A496 E497 Q498	R490-E494 IonicContact NE-OE1 3.3Å; R490-E494 WeakPolarHBondContact O-CG 3.36Å; R490-E494 PolarHBondContact O-N 2.95Å; K491-E494 WeakPolarHBondContact CD-OE2 3.29Å; K491-E494 IonicContact NZ-OE2 3.38Å; K491-E494 PolarHBondContact NZ-OE2 3.5Å; K491-E494 PolarHBondContact O-N 2.71Å; E494-A496 VanDerWaalsContact C-N 3.32Å; E494-A496 PolarHBondContact O-N 3.43Å; E494-E497 PolarHBondContact O-N 2.88Å; E494-Q498 WeakPolarHBondContact O-CG 3.21Å; E494-Q498 PolarHBondContact O-N 2.84Å
495	L	92	Very high	92.2	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-36.1	176.5	-69.3	170.6	0	0	0	112.1	L97 I479 L487 K491 R492 M493 M499	L97-L495 HydrophobicContact CD1-CD2 3.97Å; I479-L495 HydrophobicContact CD1-CB 3.68Å; L487-L495 HydrophobicContact CD1-CD1 3.57Å; K491-L495 VanDerWaalsContact O-CG 3.3Å; K491-L495 WeakPolarHBondContact O-CG 3.38Å; K491-L495 PolarHBondContact O-N 2.54Å; K491-L495 VanDerWaalsContact O-N 3.09Å; R492-L495 PolarHBondContact O-N 3.48Å; M493-L495 VanDerWaalsContact C-N 3.3Å; M493-L495 PolarHBondContact O-N 3.22Å; L495-M499 WeakPolarHBondContact O-CB 3.49Å; L495-M499 PolarHBondContact O-N 2.83Å
496	A	93.5	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-45.2	172.9	0	0	0	0	0	111.2	I473 V476 R492 M493 E494 M499 T500 V515	I473-A496 HydrophobicContact CB-CB 4.39Å; I473-A496 HydrophobicContact CD1-CB 4.25Å; I473-A496 HydrophobicContact CG2-CB 3.91Å; V476-A496 HydrophobicContact CG2-CB 3.72Å; R492-A496 PolarHBondContact O-N 3.13Å; R492-A496 VanDerWaalsContact O-N 3.1Å; M493-A496 WeakPolarHBondContact O-CB 3.45Å; M493-A496 PolarHBondContact O-N 2.65Å; M493-A496 VanDerWaalsContact O-N 3.14Å; E494-A496 VanDerWaalsContact C-N 3.32Å; E494-A496 PolarHBondContact O-N 3.43Å; A496-M499 WeakPolarHBondContact O-CB 3.41Å; A496-M499 PolarHBondContact O-N 3.37Å; A496-T500 WeakPolarHBondContact O-CG2 3.11Å; A496-T500 PolarHBondContact O-N 2.86Å; A496-T500 PolarHBondContact O-OG1 3.25Å; A496-V515 HydrophobicContact CB-CG2 3.64Å
497	E	92.8	Very high	91.8	Very high	109 Å²	109	38.8 Å²	38.8	51%	0.509	19%	0.19	S	C	.	.	H	α-helix	trans	-63.7	-46.3	-179.5	-173.7	171.7	-153.5	0	0	110.9	M493 E494 M499 T500 N501 V515	M493-E497 PolarHBondContact O-N 2.58Å; E494-E497 PolarHBondContact O-N 2.88Å; E497-M499 VanDerWaalsContact C-N 3.32Å; E497-M499 PolarHBondContact O-N 3.04Å; E497-T500 WeakPolarHBondContact CA-OG1 3.25Å; E497-T500 PolarHBondContact O-N 3.47Å; E497-T500 VanDerWaalsContact O-N 3.09Å; E497-T500 PolarHBondContact O-OG1 3.41Å; E497-N501 PolarHBondContact O-N 3.44Å; E497-N501 PolarHBondContact O-ND2 3.3Å; E497-V515 HydrophobicContact CB-CG2 4.23Å
498	Q	91.8	Very high	91.5	Very high	73 Å²	73	39 Å²	39	34%	0.341	19%	0.191	S	C	.	.	H	α-helix	trans	-55.6	-45.3	172.7	-73.9	-178.5	-19.5	0	0	112	E494 T500 N501 I502	E494-Q498 WeakPolarHBondContact O-CG 3.21Å; E494-Q498 PolarHBondContact O-N 2.84Å; Q498-T500 PolarHBondContact O-N 3.34Å; Q498-N501 PolarHBondContact O-N 2.87Å; Q498-I502 WeakPolarHBondContact O-CG1 3.44Å; Q498-I502 PolarHBondContact O-N 3.15Å
499	M	92.5	Very high	90.9	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-46	175.1	173.8	179.6	168.4	0	0	111.3	L98 I479 Y480 L495 A496 E497 N501 I502 I503	L98-M499 HydrophobicContact CD2-CB 4.43Å; L98-M499 HydrophobicContact CD2-CG 4.03Å; I479-M499 HydrophobicContact CD1-SD 4.49Å; I479-M499 HydrophobicContact CG1-SD 4.07Å; I479-M499 HydrophobicContact CG2-SD 3.89Å; Y480-M499 HydrophobicContact CE2-CE 3.86Å; Y480-M499 HydrophobicContact CE2-SD 4.21Å; L495-M499 WeakPolarHBondContact O-CB 3.49Å; L495-M499 PolarHBondContact O-N 2.83Å; A496-M499 WeakPolarHBondContact O-CB 3.41Å; A496-M499 PolarHBondContact O-N 3.37Å; E497-M499 VanDerWaalsContact C-N 3.32Å; E497-M499 PolarHBondContact O-N 3.04Å; M499-N501 VanDerWaalsContact C-N 3.32Å; M499-N501 PolarHBondContact O-N 3.28Å; M499-I502 PolarHBondContact O-N 3.28Å; M499-I502 VanDerWaalsContact O-N 3.09Å; M499-I503 HydrophobicContact CE-CD1 3.69Å; M499-I503 HydrophobicContact CG-CD1 4.16Å; M499-I503 HydrophobicContact CG-CG2 4.29Å; M499-I503 WeakPolarHBondContact O-CG1 3.48Å; M499-I503 PolarHBondContact O-N 3.36Å
500	T	92	Very high	90.1	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-36.9	180	59.1	0	0	0	0	112.9	I473 A496 E497 Q498 I502 N504 V513 V515	I473-T500 HydrophobicContact CD1-CG2 4.31Å; A496-T500 WeakPolarHBondContact O-CG2 3.11Å; A496-T500 PolarHBondContact O-N 2.86Å; A496-T500 PolarHBondContact O-OG1 3.25Å; E497-T500 WeakPolarHBondContact CA-OG1 3.25Å; E497-T500 PolarHBondContact O-N 3.47Å; E497-T500 VanDerWaalsContact O-N 3.09Å; E497-T500 PolarHBondContact O-OG1 3.41Å; Q498-T500 PolarHBondContact O-N 3.34Å; T500-I502 PolarHBondContact O-N 3.45Å; T500-N504 VanDerWaalsContact O-CB 3.26Å; T500-N504 WeakPolarHBondContact O-CB 3.34Å; T500-N504 VanDerWaalsContact O-CG 3.27Å; T500-N504 PolarHBondContact O-N 3.01Å; T500-N504 PolarHBondContact O-ND2 2.63Å; T500-N504 VanDerWaalsContact O-ND2 3.13Å; T500-V513 WeakPolarHBondContact CB-O 3.45Å; T500-V513 HydrophobicContact CG2-CB 4.1Å; T500-V513 HydrophobicContact CG2-CG1 3.94Å; T500-V513 VanDerWaalsContact CG2-O 3.24Å; T500-V513 WeakPolarHBondContact CG2-O 3.07Å; T500-V515 HydrophobicContact CG2-CG2 4.14Å
501	N	92	Very high	89.7	Confident	87 Å²	87	44.9 Å²	44.9	47%	0.465	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-28.9	175.6	-70.3	-22.2	0	0	0	112.4	I23 K101 E497 Q498 M499	I23-N501 HydrophobicContact CD1-CB 4.14Å; K101-N501 PolarHBondContact NZ-O 2.86Å; E497-N501 PolarHBondContact O-N 3.44Å; E497-N501 PolarHBondContact O-ND2 3.3Å; Q498-N501 PolarHBondContact O-N 2.87Å; M499-N501 VanDerWaalsContact C-N 3.32Å; M499-N501 PolarHBondContact O-N 3.28Å
502	I	94.3	Very high	89.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-82.7	-49.6	177.8	-66.7	170.5	0	0	0	111.4	I23 L98 A100 K101 A125 Q498 M499 T500	I23-I502 HydrophobicContact CD1-CD1 4.43Å; I23-I502 HydrophobicContact CD1-CG1 3.76Å; I23-I502 HydrophobicContact CG1-CD1 4.21Å; I23-I502 HydrophobicContact CG1-CG1 4Å; I23-I502 HydrophobicContact CG2-CG1 4.15Å; L98-I502 HydrophobicContact CB-CD1 4.05Å; L98-I502 HydrophobicContact CD1-CG2 4.45Å; L98-I502 HydrophobicContact CD2-CB 3.83Å; L98-I502 HydrophobicContact CD2-CD1 4.07Å; L98-I502 HydrophobicContact CD2-CG2 3.64Å; L98-I502 HydrophobicContact CG-CB 4.24Å; L98-I502 HydrophobicContact CG-CD1 3.72Å; L98-I502 HydrophobicContact CG-CG2 3.81Å; L98-I502 WeakPolarHBondContact O-CD1 3.45Å; A100-I502 WeakPolarHBondContact O-CG2 3.26Å; K101-I502 HydrophobicContact CB-CG2 4.32Å; K101-I502 PolarHBondContact NZ-O 3.21Å; A125-I502 HydrophobicContact CB-CG2 3.52Å; Q498-I502 WeakPolarHBondContact O-CG1 3.44Å; Q498-I502 PolarHBondContact O-N 3.15Å; M499-I502 PolarHBondContact O-N 3.28Å; M499-I502 VanDerWaalsContact O-N 3.09Å; T500-I502 PolarHBondContact O-N 3.45Å
503	I	92.3	Very high	89.2	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.097	24%	0.244	C	C	.	.	H	α-helix	trans	-82.7	-21.7	-170.6	70	178.8	0	0	0	113.9	L98 E124 M499 F505 M508 V513	L98-I503 HydrophobicContact CD2-CG2 3.79Å; E124-I503 HydrophobicContact CB-CG2 4.28Å; M499-I503 HydrophobicContact CE-CD1 3.69Å; M499-I503 HydrophobicContact CG-CD1 4.16Å; M499-I503 HydrophobicContact CG-CG2 4.29Å; M499-I503 WeakPolarHBondContact O-CG1 3.48Å; M499-I503 PolarHBondContact O-N 3.36Å; I503-F505 WeakPolarHBondContact O-CD2 3.24Å; I503-M508 WeakPolarHBondContact O-CE 3.29Å; I503-V513 HydrophobicContact CD1-CB 4.05Å; I503-V513 HydrophobicContact CD1-CG2 3.84Å
504	N	91.2	Very high	89	Confident	28 Å²	28	45 Å²	45	15%	0.15	25%	0.248	C	C	.	.			trans	-83.9	127.2	178	-66.7	-30.6	0	0	0	110.6	K101 T500 N512 V513	K101-N504 PolarHBondContact NZ-O 2.94Å; T500-N504 VanDerWaalsContact O-CB 3.26Å; T500-N504 WeakPolarHBondContact O-CB 3.34Å; T500-N504 VanDerWaalsContact O-CG 3.27Å; T500-N504 PolarHBondContact O-N 3.01Å; T500-N504 PolarHBondContact O-ND2 2.63Å; T500-N504 VanDerWaalsContact O-ND2 3.13Å; N504-N512 HydrophobicContact CB-CB 4.48Å; N504-N512 WeakPolarHBondContact OD1-CA 3.46Å; N504-V513 PolarHBondContact ND2-O 3.16Å; N504-V513 PolarHBondContact OD1-N 3.49Å
505	F	92	Very high	88.9	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.031	24%	0.24	C	C	.	.			trans	-120.8	146.7	178	-68.9	-97.9	0	0	0	109.1	K101 G102 F103 M127 I503 D507 M508	K101-F505 HydrophobicContact CD-CE1 4.15Å; K101-F505 HydrophobicContact CD-CZ 4.41Å; K101-F505 VanDerWaalsContact CE-CE1 3.45Å; K101-F505 HydrophobicContact CG-CE1 3.75Å; K101-F505 HydrophobicContact CG-CZ 3.7Å; G102-F505 WeakPolarHBondContact O-CE1 3.5Å; F103-F505 HydrophobicContact CD1-CD1 4.09Å; F103-F505 AromaticContact CD1-CE1 3.95Å; F103-F505 HydrophobicContact CD1-CE1 3.95Å; F103-F505 AromaticContact CE1-CD1 3.7Å; F103-F505 HydrophobicContact CE1-CD1 3.7Å; F103-F505 AromaticContact CE1-CE1 3.68Å; F103-F505 HydrophobicContact CE1-CE1 3.68Å; F103-F505 HydrophobicContact CZ-CE1 4.29Å; M127-F505 HydrophobicContact CB-CB 4.45Å; M127-F505 HydrophobicContact CB-CD1 3.56Å; M127-F505 HydrophobicContact CB-CD2 3.94Å; M127-F505 HydrophobicContact CB-CE1 3.61Å; M127-F505 HydrophobicContact CB-CE2 4.01Å; M127-F505 HydrophobicContact CB-CG 3.74Å; M127-F505 HydrophobicContact CB-CZ 3.85Å; M127-F505 HydrophobicContact CE-CB 3.58Å; M127-F505 HydrophobicContact CE-CD1 3.7Å; M127-F505 HydrophobicContact CE-CG 3.92Å; M127-F505 HydrophobicContact CG-CB 4.47Å; M127-F505 HydrophobicContact CG-CD1 4.36Å; M127-F505 HydrophobicContact CG-CG 4.28Å; M127-F505 HydrophobicContact SD-CB 3.24Å; M127-F505 WeakPolarHBondContact SD-CB 3.27Å; M127-F505 HydrophobicContact SD-CD1 3.98Å; M127-F505 HydrophobicContact SD-CD2 4.33Å; M127-F505 HydrophobicContact SD-CG 3.63Å; I503-F505 WeakPolarHBondContact O-CD2 3.24Å; F505-D507 PolarHBondContact O-N 3.27Å; F505-M508 HydrophobicContact CB-CE 4.26Å; F505-M508 HydrophobicContact CD2-CE 4.13Å; F505-M508 VanDerWaalsContact N-CE 3.35Å; F505-M508 VanDerWaalsContact O-CG 3.25Å; F505-M508 WeakPolarHBondContact O-CG 3.2Å; F505-M508 PolarHBondContact O-N 3.37Å
506	P	86.6	Confident	88.9	Confident	52 Å²	52	43.8 Å²	43.8	34%	0.338	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.4	-176.7	26.4	-34.5	0	0	0	113	R153 S154	R153-P506 HydrophobicContact CB-CB 4.2Å; R153-P506 HydrophobicContact CB-CG 4.02Å; S154-P506 WeakPolarHBondContact OG-CD 3.41Å; S154-P506 WeakPolarHBondContact OG-CG 3.42Å
507	D	84.1	Confident	88.7	Confident	49 Å²	49	46 Å²	46	26%	0.262	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	6.1	-176.3	-55.8	-64.1	0	0	0	114	M127 H129 S150 R153 F505	M127-D507 HydrophobicContact CE-CB 3.78Å; M127-D507 HydrophobicContact SD-CB 4.17Å; H129-D507 IonicContact CE1-OD2 3.68Å; H129-D507 IonicContact ND1-OD2 2.73Å; H129-D507 PolarHBondContact ND1-OD2 2.79Å; S150-D507 WeakPolarHBondContact CB-OD2 3.44Å; S150-D507 PolarHBondContact OG-OD2 3.47Å; R153-D507 IonicContact CZ-OD1 3.21Å; R153-D507 IonicContact NH1-OD1 3.13Å; R153-D507 VanDerWaalsContact NH2-CG 3.27Å; R153-D507 IonicContact NH2-OD1 3.66Å; R153-D507 PolarHBondContact NH2-OD1 3.12Å; R153-D507 IonicContact NH2-OD2 3.85Å; R153-D507 PolarHBondContact NH2-OD2 3.02Å; F505-D507 PolarHBondContact O-N 3.27Å
508	M	84.8	Confident	88.5	Confident	49 Å²	49	44.8 Å²	44.8	24%	0.241	25%	0.254	C	S	.	.			trans	-71.7	143.3	-179.9	74.4	175.5	28.4	0	0	111.8	I503 F505 S510 N512	I503-M508 WeakPolarHBondContact O-CE 3.29Å; F505-M508 HydrophobicContact CB-CE 4.26Å; F505-M508 HydrophobicContact CD2-CE 4.13Å; F505-M508 VanDerWaalsContact N-CE 3.35Å; F505-M508 VanDerWaalsContact O-CG 3.25Å; F505-M508 WeakPolarHBondContact O-CG 3.2Å; F505-M508 PolarHBondContact O-N 3.37Å; M508-S510 WeakPolarHBondContact CG-O 3.43Å; M508-S510 PolarHBondContact SD-OG 2.59Å; M508-N512 PolarHBondContact SD-OD1 3.09Å
509	T	78.7	Confident	88.4	Confident	146 Å²	146	44.3 Å²	44.3	90%	0.896	25%	0.254	S	S	*	.	S	Bend	trans	-82.4	-23.8	174.6	55.5	0	0	0	0	112.7
510	S	78.5	Confident	88.2	Confident	74 Å²	74	47 Å²	47	52%	0.517	26%	0.262	S	S	.	.	S	Bend	trans	-72.8	159.7	175.3	50.9	0	0	0	0	112.1	M508	M508-S510 WeakPolarHBondContact CG-O 3.43Å; M508-S510 PolarHBondContact SD-OG 2.59Å
511	S	81	Confident	88	Confident	61 Å²	61	50.6 Å²	50.6	43%	0.427	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-70.5	137.5	172.6	-55.4	0	0	0	0	111.3	H469	H469-S511 WeakPolarHBondContact O-CB 3.27Å; H469-S511 PolarHBondContact O-OG 2.94Å; H469-S511 VanDerWaalsContact O-OG 3.05Å
512	N	85.9	Confident	87.6	Confident	29 Å²	29	50 Å²	50	16%	0.155	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57.9	138.4	173.4	-72.1	-7.6	0	0	0	111	N504 M508 R514 D550	N504-N512 HydrophobicContact CB-CB 4.48Å; N504-N512 WeakPolarHBondContact OD1-CA 3.46Å; M508-N512 PolarHBondContact SD-OD1 3.09Å; N512-R514 HydrophobicContact CB-CG 4.41Å; N512-D550 PolarHBondContact ND2-OD2 3.38Å
513	V	89.6	Confident	87.4	Confident	28 Å²	28	54.1 Å²	54.1	17%	0.17	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.7	167.7	-172.4	0	0	0	0	108.2	L471 I473 T500 I503 N504	L471-V513 HydrophobicContact CD2-CG1 4.42Å; L471-V513 HydrophobicContact CD2-CG2 4.2Å; L471-V513 CarbonylContact O-C 3.52Å; I473-V513 HydrophobicContact CD1-CG1 3.61Å; I473-V513 HydrophobicContact CG1-CG1 3.83Å; T500-V513 WeakPolarHBondContact CB-O 3.45Å; T500-V513 HydrophobicContact CG2-CB 4.1Å; T500-V513 HydrophobicContact CG2-CG1 3.94Å; T500-V513 VanDerWaalsContact CG2-O 3.24Å; T500-V513 WeakPolarHBondContact CG2-O 3.07Å; I503-V513 HydrophobicContact CD1-CB 4.05Å; I503-V513 HydrophobicContact CD1-CG2 3.84Å; N504-V513 PolarHBondContact ND2-O 3.16Å; N504-V513 PolarHBondContact OD1-N 3.49Å
514	R	90.3	Very high	87.4	Confident	29 Å²	29	53.4 Å²	53.4	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.7	-169.4	-61.2	178.3	-175.4	-76.4	1.4	111	L471 F472 I473 N512 L548 D550 F552	L471-R514 PolarHBondContact O-N 2.86Å; F472-R514 CarbonylContact C-O 3.48Å; F472-R514 VanDerWaalsContact CA-O 3.27Å; F472-R514 WeakPolarHBondContact CA-O 3.07Å; F472-R514 HydrophobicContact CD1-CB 3.75Å; F472-R514 HydrophobicContact CE1-CB 3.69Å; F472-R514 HydrophobicContact CG-CB 4.28Å; F472-R514 HydrophobicContact CZ-CB 4.17Å; I473-R514 PolarHBondContact N-O 2.95Å; N512-R514 HydrophobicContact CB-CG 4.41Å; R514-L548 HydrophobicContact CG-CD1 4.46Å; R514-D550 IonicContact CZ-OD1 2.7Å; R514-D550 IonicContact CZ-OD2 2.67Å; R514-D550 IonicContact NH1-OD1 3.06Å; R514-D550 PolarHBondContact NH1-OD1 3.47Å; R514-D550 VanDerWaalsContact NH1-OD1 3.13Å; R514-D550 IonicContact NH1-OD2 2.58Å; R514-D550 PolarHBondContact NH1-OD2 3.04Å; R514-D550 IonicContact NH2-OD1 2.81Å; R514-D550 IonicContact NH2-OD2 3.72Å; R514-D550 PolarHBondContact NH2-OD2 2.89Å; R514-F552 VanDerWaalsContact NH2-CB 3.33Å
515	V	91.7	Very high	87.4	Confident	22 Å²	22	52.9 Å²	52.9	13%	0.133	30%	0.297	C	S	.	.			trans	-108	131.8	165	-179.6	0	0	0	0	106.8	M493 A496 E497 T500	M493-V515 HydrophobicContact CE-CG1 3.58Å; A496-V515 HydrophobicContact CB-CG2 3.64Å; E497-V515 HydrophobicContact CB-CG2 4.23Å; T500-V515 HydrophobicContact CG2-CG2 4.14Å
516	P	90.2	Very high	87.4	Confident	26 Å²	26	57.2 Å²	57.2	17%	0.169	32%	0.32	C	S	.	.			trans	-66.8	157.7	176.5	30.3	-35.4	0	0	0	110.1	F472 I473 Y474 F518	F472-P516 HydrophobicContact CD1-CB 4.09Å; I473-P516 WeakPolarHBondContact O-CD 3.17Å; Y474-P516 HydrophobicContact CD1-CG 3.83Å; Y474-P516 HydrophobicContact CE1-CB 4.26Å; Y474-P516 HydrophobicContact CE1-CG 3.79Å; P516-F518 PolarHBondContact O-N 3.25Å
517	P	89.8	Confident	87.8	Confident	45 Å²	45	56.5 Å²	56.5	29%	0.292	31%	0.311	S	S	.	.			trans	-52.1	117.4	174.4	-27	36.3	0	0	0	110.9	L519 Y527 H546 F554	P517-L519 HydrophobicContact CB-CD1 4.43Å; P517-L519 HydrophobicContact CB-CG 4.4Å; P517-Y527 HydrophobicContact CB-CE2 4.11Å; P517-Y527 HydrophobicContact CG-CE2 4.37Å; P517-H546 WeakPolarHBondContact CG-CE1 3.5Å; P517-F554 HydrophobicContact CG-CZ 4.24Å
518	F	89.1	Confident	88.2	Confident	85 Å²	85	56 Å²	56	37%	0.373	31%	0.31	S	S	.	.			trans	-101.5	110.4	179.4	177.1	-117.6	0	0	0	108.9	Y489 R490 P516	Y489-F518 AromaticContact CD1-CE2 3.92Å; Y489-F518 HydrophobicContact CD1-CE2 3.92Å; Y489-F518 HydrophobicContact CD1-CZ 4.28Å; Y489-F518 HydrophobicContact CE1-CD2 4.06Å; Y489-F518 AromaticContact CE1-CE2 3.55Å; Y489-F518 HydrophobicContact CE1-CE2 3.55Å; Y489-F518 HydrophobicContact CE1-CZ 4.33Å; R490-F518 HydrophobicContact CB-CE1 3.98Å; R490-F518 HydrophobicContact CB-CZ 4.06Å; R490-F518 HydrophobicContact CG-CE1 3.71Å; R490-F518 HydrophobicContact CG-CZ 4.28Å; P516-F518 PolarHBondContact O-N 3.25Å
519	L	89.8	Confident	88.6	Confident	63 Å²	63	60.1 Å²	60.1	33%	0.33	33%	0.326	S	S	.	.			trans	-127.4	147.1	-167.6	-56.3	167.9	0	0	0	110.1	P517 Y527	P517-L519 HydrophobicContact CB-CD1 4.43Å; P517-L519 HydrophobicContact CB-CG 4.4Å; L519-Y527 HydrophobicContact CD1-CD1 3.65Å; L519-Y527 HydrophobicContact CD1-CD2 3.54Å; L519-Y527 HydrophobicContact CD1-CE1 4.11Å; L519-Y527 HydrophobicContact CD1-CE2 3.99Å; L519-Y527 HydrophobicContact CD1-CG 3.34Å; L519-Y527 HydrophobicContact CD2-CD2 4.23Å
520	R	87.7	Confident	89.3	Confident	77 Å²	77	61.2 Å²	61.2	29%	0.291	32%	0.319	S	S	.	.			trans	-71.1	151.8	163	-71.8	-177	166.7	165.3	-1.9	109.9	S522 E523	R520-S522 PolarHBondContact O-N 3.07Å; R520-E523 HydrophobicContact CB-CG 4.16Å; R520-E523 PolarHBondContact N-OE2 3.35Å; R520-E523 WeakPolarHBondContact O-CB 3.48Å; R520-E523 PolarHBondContact O-N 3.04Å
521	L	87.7	Confident	90.1	Very high	86 Å²	86	58.5 Å²	58.5	45%	0.45	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-59.1	-35.1	179.4	-172.8	61.1	0	0	0	112.1	E523 L524 L561 L625 L629	L521-E523 PolarHBondContact O-N 2.72Å; L521-L524 HydrophobicContact CD1-CD2 4.06Å; L521-L524 VanDerWaalsContact O-CB 3.27Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.18Å; L521-L561 HydrophobicContact CD1-CD2 4.2Å; L521-L625 HydrophobicContact CD1-CD2 4.19Å; L521-L629 HydrophobicContact CD1-CD1 3.94Å; L521-L629 HydrophobicContact CD2-CD2 4.44Å; L521-L629 HydrophobicContact CG-CD1 4.15Å; L521-L629 HydrophobicContact CG-CD2 4.3Å
522	S	83.7	Confident	90.7	Very high	75 Å²	75	58.2 Å²	58.2	52%	0.524	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22.6	175.2	57.2	0	0	0	0	114.1	R520	R520-S522 PolarHBondContact O-N 3.07Å
523	E	90.1	Very high	91.1	Very high	86 Å²	86	61.9 Å²	61.9	40%	0.402	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-90.3	-14.2	-178.3	-62.7	165.9	163.9	0	0	112.1	R520 L521 V525 N526 Y527	R520-E523 HydrophobicContact CB-CG 4.16Å; R520-E523 PolarHBondContact N-OE2 3.35Å; R520-E523 WeakPolarHBondContact O-CB 3.48Å; R520-E523 PolarHBondContact O-N 3.04Å; L521-E523 PolarHBondContact O-N 2.72Å; E523-V525 VanDerWaalsContact C-N 3.34Å; E523-V525 PolarHBondContact O-N 2.73Å; E523-N526 PolarHBondContact O-N 2.85Å; E523-Y527 WeakPolarHBondContact O-CB 3.2Å; E523-Y527 PolarHBondContact O-N 2.91Å
524	L	92.2	Very high	91.2	Very high	5 Å²	5	63 Å²	63	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-42	-171.8	-177	63.9	0	0	0	112.7	L521 Y527 V528 L559 L625 I626 L629	L521-L524 HydrophobicContact CD1-CD2 4.06Å; L521-L524 VanDerWaalsContact O-CB 3.27Å; L521-L524 WeakPolarHBondContact O-CB 3.37Å; L521-L524 PolarHBondContact O-N 3.18Å; L524-Y527 PolarHBondContact O-N 2.78Å; L524-V528 HydrophobicContact CD1-CG2 4.32Å; L524-V528 WeakPolarHBondContact O-CG2 3.13Å; L524-V528 PolarHBondContact O-N 3.3Å; L524-L559 HydrophobicContact CD1-CD1 4.04Å; L524-L559 HydrophobicContact CD1-CD2 4.19Å; L524-L559 HydrophobicContact CD2-CD2 3.63Å; L524-L625 HydrophobicContact CD2-CD2 3.8Å; L524-L625 HydrophobicContact CD2-CG 4.28Å; L524-I626 HydrophobicContact CD2-CD1 4.21Å; L524-I626 HydrophobicContact CG-CD1 3.78Å; L524-L629 HydrophobicContact CB-CD1 4.48Å; L524-L629 HydrophobicContact CD2-CD1 4.13Å
525	V	92.4	Very high	91.2	Very high	16 Å²	16	66.6 Å²	66.6	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-50.2	178.1	177.4	0	0	0	0	110.9	E523 Y527 V528 K529 I626 L629 E630	E523-V525 VanDerWaalsContact C-N 3.34Å; E523-V525 PolarHBondContact O-N 2.73Å; V525-Y527 VanDerWaalsContact C-N 3.33Å; V525-Y527 PolarHBondContact O-N 2.88Å; V525-V528 PolarHBondContact O-N 2.76Å; V525-K529 HydrophobicContact CG1-CD 4.23Å; V525-K529 WeakPolarHBondContact O-CG 3.41Å; V525-K529 PolarHBondContact O-N 3.37Å; V525-K529 VanDerWaalsContact O-N 3.13Å; V525-I626 HydrophobicContact CB-CD1 4.43Å; V525-I626 HydrophobicContact CG2-CD1 4.12Å; V525-I626 HydrophobicContact CG2-CG2 4.47Å; V525-L629 HydrophobicContact CG2-CB 3.78Å; V525-L629 HydrophobicContact CG2-CD1 4.4Å; V525-E630 HydrophobicContact CG1-CG 3.64Å; V525-E630 HydrophobicContact CG2-CG 4.07Å
526	N	92.4	Very high	90.8	Very high	98 Å²	98	66.9 Å²	66.9	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-37.2	179.8	-72.8	-26.1	0	0	0	111.7	E523 K530	E523-N526 PolarHBondContact O-N 2.85Å; N526-K530 WeakPolarHBondContact O-CB 3.36Å; N526-K530 VanDerWaalsContact O-CG 3.25Å; N526-K530 WeakPolarHBondContact O-CG 3.47Å; N526-K530 PolarHBondContact O-N 3.48Å
527	Y	94	Very high	90.3	Very high	37 Å²	37	71.2 Å²	71.2	15%	0.145	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-51.7	175.5	171	-98	0	0	0	111.8	P517 L519 E523 L524 V525 K529 K530 L531 H546 W612	P517-Y527 HydrophobicContact CB-CE2 4.11Å; P517-Y527 HydrophobicContact CG-CE2 4.37Å; L519-Y527 HydrophobicContact CD1-CD1 3.65Å; L519-Y527 HydrophobicContact CD1-CD2 3.54Å; L519-Y527 HydrophobicContact CD1-CE1 4.11Å; L519-Y527 HydrophobicContact CD1-CE2 3.99Å; L519-Y527 HydrophobicContact CD1-CG 3.34Å; L519-Y527 HydrophobicContact CD2-CD2 4.23Å; E523-Y527 WeakPolarHBondContact O-CB 3.2Å; E523-Y527 PolarHBondContact O-N 2.91Å; L524-Y527 PolarHBondContact O-N 2.78Å; V525-Y527 VanDerWaalsContact C-N 3.33Å; V525-Y527 PolarHBondContact O-N 2.88Å; Y527-K529 VanDerWaalsContact C-N 3.33Å; Y527-K529 PolarHBondContact O-N 3.22Å; Y527-K530 PolarHBondContact O-N 3.43Å; Y527-K530 VanDerWaalsContact O-N 3.09Å; Y527-L531 HydrophobicContact CE1-CD1 4.32Å; Y527-L531 HydrophobicContact CE1-CD2 4.09Å; Y527-L531 HydrophobicContact CE1-CG 4.44Å; Y527-L531 HydrophobicContact CE2-CD2 4.25Å; Y527-L531 PolarHBondContact O-N 3.4Å; Y527-H546 AromaticContact CE2-CE1 3.99Å; Y527-H546 AromaticContact CE2-ND1 3.49Å; Y527-H546 WeakPolarHBondContact CE2-ND1 3.4Å; Y527-H546 AromaticContact CZ-ND1 3.65Å; Y527-H546 PolarHBondContact OH-ND1 3.31Å; Y527-W612 HydrophobicContact CE1-CH2 4.33Å
528	V	92.8	Very high	90	Very high	38 Å²	38	74.5 Å²	74.5	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-61.7	-41.5	-179.1	172.8	0	0	0	0	111.3	L524 V525 K530 L531 W612 V622 I626	L524-V528 HydrophobicContact CD1-CG2 4.32Å; L524-V528 WeakPolarHBondContact O-CG2 3.13Å; L524-V528 PolarHBondContact O-N 3.3Å; V525-V528 PolarHBondContact O-N 2.76Å; V528-K530 PolarHBondContact O-N 3.03Å; V528-L531 PolarHBondContact O-N 3.47Å; V528-W612 HydrophobicContact CG1-CZ2 4.46Å; V528-W612 HydrophobicContact CG2-CH2 3.94Å; V528-W612 HydrophobicContact CG2-CZ2 3.91Å; V528-V622 HydrophobicContact CG2-CG1 4.46Å; V528-I626 HydrophobicContact CB-CD1 3.97Å; V528-I626 HydrophobicContact CG2-CD1 3.69Å; V528-I626 HydrophobicContact CG2-CG1 4.29Å
529	K	92.1	Very high	89.7	Confident	136 Å²	136	71.8 Å²	71.8	59%	0.591	37%	0.371	S	S	*	.	H	α-helix	trans	-62.9	-27.2	176.5	-74.3	178.1	179.7	172.8	0	113.7	V525 Y527 E630	V525-K529 HydrophobicContact CG1-CD 4.23Å; V525-K529 WeakPolarHBondContact O-CG 3.41Å; V525-K529 PolarHBondContact O-N 3.37Å; V525-K529 VanDerWaalsContact O-N 3.13Å; Y527-K529 VanDerWaalsContact C-N 3.33Å; Y527-K529 PolarHBondContact O-N 3.22Å; K529-E630 WeakPolarHBondContact CE-OE1 3.35Å; K529-E630 IonicContact NZ-OE1 3.53Å; K529-E630 PolarHBondContact NZ-OE1 2.7Å
530	K	94.3	Very high	89.5	Confident	170 Å²	170	75.3 Å²	75.3	74%	0.739	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-5.4	-178.9	-75.1	177.5	-179.9	-176.8	0	113.8	N526 Y527 V528 P532	N526-K530 WeakPolarHBondContact O-CB 3.36Å; N526-K530 VanDerWaalsContact O-CG 3.25Å; N526-K530 WeakPolarHBondContact O-CG 3.47Å; N526-K530 PolarHBondContact O-N 3.48Å; Y527-K530 PolarHBondContact O-N 3.43Å; Y527-K530 VanDerWaalsContact O-N 3.09Å; V528-K530 PolarHBondContact O-N 3.03Å; K530-P532 VanDerWaalsContact O-CD 3.24Å; K530-P532 WeakPolarHBondContact O-CD 3.3Å
531	L	94.5	Very high	89.6	Confident	17 Å²	17	76.3 Å²	76.3	9%	0.089	41%	0.413	C	S	.	.			trans	-65.6	118	177.4	-67.1	176.3	0	0	0	109.9	Y527 V528 P544 M545 H546 P556 W612	Y527-L531 HydrophobicContact CE1-CD1 4.32Å; Y527-L531 HydrophobicContact CE1-CD2 4.09Å; Y527-L531 HydrophobicContact CE1-CG 4.44Å; Y527-L531 HydrophobicContact CE2-CD2 4.25Å; Y527-L531 PolarHBondContact O-N 3.4Å; V528-L531 PolarHBondContact O-N 3.47Å; L531-P544 HydrophobicContact CB-CB 3.83Å; L531-P544 HydrophobicContact CD1-CB 4.03Å; L531-M545 WeakPolarHBondContact CD2-O 3.34Å; L531-H546 HydrophobicContact CD2-CB 4.15Å; L531-P556 HydrophobicContact CD1-CG 4.16Å; L531-W612 HydrophobicContact CD1-CH2 4.31Å; L531-W612 HydrophobicContact CD1-CZ2 3.9Å
532	P	94.8	Very high	89.8	Confident	54 Å²	54	77 Å²	77	35%	0.351	42%	0.416	S	S	.	.			trans	-62.9	141.7	175	25.8	-36	0	0	0	111.1	K530 L534 P544 M545 C547	K530-P532 VanDerWaalsContact O-CD 3.24Å; K530-P532 WeakPolarHBondContact O-CD 3.3Å; P532-L534 HydrophobicContact CB-CD2 4.23Å; P532-L534 HydrophobicContact CB-CG 4.18Å; P532-L534 HydrophobicContact CG-CD1 4.34Å; P532-L534 HydrophobicContact CG-CG 4.3Å; P532-L534 PolarHBondContact O-N 2.71Å; P532-P544 WeakPolarHBondContact O-CA 3.36Å; P532-M545 WeakPolarHBondContact CD-O 3.39Å; P532-M545 PolarHBondContact O-N 3.41Å; P532-C547 VanDerWaalsContact CG-SG 3.55Å
533	L	94.7	Very high	90.2	Very high	106 Å²	106	73.8 Å²	73.8	56%	0.555	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.7	170	-69.7	177.2	0	0	0	108.8	L542 P544	L533-L542 HydrophobicContact CB-CB 3.91Å; L533-L542 HydrophobicContact CB-CD1 4.2Å; L533-P544 HydrophobicContact CD2-CB 4.37Å; L533-P544 HydrophobicContact CD2-CG 3.81Å
534	L	92.1	Very high	90.3	Very high	51 Å²	51	72 Å²	72	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	150.6	-176.2	-63.3	-175.6	0	0	0	111.7	P532 L542 V543 M545 T553	P532-L534 HydrophobicContact CB-CD2 4.23Å; P532-L534 HydrophobicContact CB-CG 4.18Å; P532-L534 HydrophobicContact CG-CD1 4.34Å; P532-L534 HydrophobicContact CG-CG 4.3Å; P532-L534 PolarHBondContact O-N 2.71Å; L534-L542 WeakPolarHBondContact O-CA 3.37Å; L534-V543 PolarHBondContact N-O 3.27Å; L534-V543 PolarHBondContact O-N 2.7Å; L534-M545 HydrophobicContact CB-CB 4.42Å; L534-M545 HydrophobicContact CB-CG 4.17Å; L534-M545 HydrophobicContact CB-SD 3.98Å; L534-M545 HydrophobicContact CD1-CB 4.06Å; L534-M545 HydrophobicContact CD1-SD 4.26Å; L534-M545 HydrophobicContact CG-CB 4.43Å; L534-T553 HydrophobicContact CD1-CG2 3.86Å
535	P	89.4	Confident	90.3	Very high	106 Å²	106	72.4 Å²	72.4	69%	0.688	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	137.7	173.7	26.2	-32.6	0	0	0	111	L542	P535-L542 HydrophobicContact CB-CD2 4.14Å
536	C	83.6	Confident	90.3	Very high	28 Å²	28	73.2 Å²	73.2	19%	0.189	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.8	177.6	-175.7	0	0	0	0	110	D538 S539 V543 M545	C536-D538 PolarHBondContact O-N 2.9Å; C536-D538 PolarHBondContact SG-N 3.25Å; C536-S539 PolarHBondContact O-N 3.27Å; C536-V543 HydrophobicContact CB-CG2 3.37Å; C536-M545 HydrophobicContact CB-CE 3.44Å; C536-M545 VanDerWaalsContact CB-CE 3.44Å
537	K	80.2	Confident	90.2	Very high	116 Å²	116	71.4 Å²	71.4	50%	0.504	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.6	176.7	-74.8	-176.9	173.8	179.5	0	113.3	N464 G465 S539	N464-K537 WeakPolarHBondContact O-CE 3.45Å; N464-K537 PolarHBondContact O-NZ 3.14Å; G465-K537 PolarHBondContact O-NZ 2.79Å; K537-S539 VanDerWaalsContact C-N 3.33Å
538	D	81.4	Confident	89.8	Confident	115 Å²	115	70.9 Å²	70.9	62%	0.615	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1	-176.8	-63.5	-63.2	0	0	0	113.5	R467 C536	R467-D538 IonicContact CZ-OD1 2.7Å; R467-D538 IonicContact CZ-OD2 3.38Å; R467-D538 IonicContact NE-OD2 2.69Å; R467-D538 IonicContact NH2-OD1 3.79Å; R467-D538 PolarHBondContact NH2-OD1 3.36Å; R467-D538 IonicContact NH2-OD2 3.78Å; R467-D538 PolarHBondContact NH2-OD2 3.02Å; C536-D538 PolarHBondContact O-N 2.9Å; C536-D538 PolarHBondContact SG-N 3.25Å
539	S	84	Confident	89.1	Confident	27 Å²	27	75.9 Å²	75.9	19%	0.189	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.4	-179.1	178.4	0	0	0	0	110.6	C536 K537 T541 V543	C536-S539 PolarHBondContact O-N 3.27Å; K537-S539 VanDerWaalsContact C-N 3.33Å; S539-T541 WeakPolarHBondContact CB-O 3.24Å; S539-T541 PolarHBondContact O-N 2.89Å; S539-T541 PolarHBondContact OG-N 3.13Å; S539-T541 PolarHBondContact OG-O 3.24Å; S539-T541 PolarHBondContact OG-OG1 2.89Å; S539-V543 WeakPolarHBondContact OG-CG1 3.37Å
540	P	84.8	Confident	88.4	Confident	138 Å²	138	73.2 Å²	73.2	90%	0.896	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-15.8	174.2	29.7	-34.6	0	0	0	112.7
541	T	90.7	Very high	87.8	Confident	97 Å²	97	67.9 Å²	67.9	60%	0.595	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	160.6	179.1	57.3	0	0	0	0	111.4	S539 V543	S539-T541 WeakPolarHBondContact CB-O 3.24Å; S539-T541 PolarHBondContact O-N 2.89Å; S539-T541 PolarHBondContact OG-N 3.13Å; S539-T541 PolarHBondContact OG-O 3.24Å; S539-T541 PolarHBondContact OG-OG1 2.89Å; T541-V543 PolarHBondContact O-N 2.81Å
542	L	92	Very high	87.3	Confident	100 Å²	100	69 Å²	69	52%	0.524	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	135.6	171.3	-57.7	177	0	0	0	110	L533 L534 P535	L533-L542 HydrophobicContact CB-CB 3.91Å; L533-L542 HydrophobicContact CB-CD1 4.2Å; L534-L542 WeakPolarHBondContact O-CA 3.37Å; P535-L542 HydrophobicContact CB-CD2 4.14Å
543	V	90.8	Very high	87	Confident	9 Å²	9	69 Å²	69	6%	0.055	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.1	-179.8	-71	0	0	0	0	110.8	L534 C536 S539 T541 M545	L534-V543 PolarHBondContact N-O 3.27Å; L534-V543 PolarHBondContact O-N 2.7Å; C536-V543 HydrophobicContact CB-CG2 3.37Å; S539-V543 WeakPolarHBondContact OG-CG1 3.37Å; T541-V543 PolarHBondContact O-N 2.81Å; V543-M545 HydrophobicContact CG2-CE 3.38Å; V543-M545 HydrophobicContact CG2-CG 4.01Å; V543-M545 PolarHBondContact O-N 2.95Å
544	P	92.4	Very high	86.7	Confident	49 Å²	49	66.1 Å²	66.1	32%	0.318	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	122	171.4	-16.1	28.3	0	0	0	110	L531 P532 L533	L531-P544 HydrophobicContact CB-CB 3.83Å; L531-P544 HydrophobicContact CD1-CB 4.03Å; P532-P544 WeakPolarHBondContact O-CA 3.36Å; L533-P544 HydrophobicContact CD2-CB 4.37Å; L533-P544 HydrophobicContact CD2-CG 3.81Å
545	M	92.8	Very high	86.6	Confident	13 Å²	13	66.7 Å²	66.7	6%	0.064	40%	0.395	C	S	.	.			trans	-124.5	146.5	179.3	-67.3	-162.4	-176.8	0	0	111.8	L531 P532 L534 C536 V543 F554	L531-M545 WeakPolarHBondContact CD2-O 3.34Å; P532-M545 WeakPolarHBondContact CD-O 3.39Å; P532-M545 PolarHBondContact O-N 3.41Å; L534-M545 HydrophobicContact CB-CB 4.42Å; L534-M545 HydrophobicContact CB-CG 4.17Å; L534-M545 HydrophobicContact CB-SD 3.98Å; L534-M545 HydrophobicContact CD1-CB 4.06Å; L534-M545 HydrophobicContact CD1-SD 4.26Å; L534-M545 HydrophobicContact CG-CB 4.43Å; C536-M545 HydrophobicContact CB-CE 3.44Å; C536-M545 VanDerWaalsContact CB-CE 3.44Å; V543-M545 HydrophobicContact CG2-CE 3.38Å; V543-M545 HydrophobicContact CG2-CG 4.01Å; V543-M545 PolarHBondContact O-N 2.95Å; M545-F554 CarbonylContact C-O 3.58Å; M545-F554 WeakPolarHBondContact CA-O 3.2Å
546	H	92	Very high	86.6	Confident	33 Å²	33	62.1 Å²	62.1	15%	0.153	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.7	165.2	-174.6	87.3	0	0	0	109.3	P517 Y527 L531 L548 T553 F554	P517-H546 WeakPolarHBondContact CG-CE1 3.5Å; Y527-H546 AromaticContact CE2-CE1 3.99Å; Y527-H546 AromaticContact CE2-ND1 3.49Å; Y527-H546 WeakPolarHBondContact CE2-ND1 3.4Å; Y527-H546 AromaticContact CZ-ND1 3.65Å; Y527-H546 PolarHBondContact OH-ND1 3.31Å; L531-H546 HydrophobicContact CD2-CB 4.15Å; H546-L548 WeakPolarHBondContact NE2-CD2 3.32Å; H546-T553 WeakPolarHBondContact O-CA 3.25Å; H546-F554 HydrophobicContact CB-CD1 4.14Å; H546-F554 HydrophobicContact CB-CD2 4.4Å; H546-F554 HydrophobicContact CB-CE1 3.7Å; H546-F554 HydrophobicContact CB-CE2 3.96Å; H546-F554 HydrophobicContact CB-CG 4.49Å; H546-F554 HydrophobicContact CB-CZ 3.58Å; H546-F554 AromaticContact CD2-CE1 3.39Å; H546-F554 WeakPolarHBondContact CD2-CE1 3.05Å; H546-F554 AromaticContact CD2-CZ 3.79Å; H546-F554 AromaticContact CG-CE1 3.75Å; H546-F554 AromaticContact CG-CZ 3.74Å; H546-F554 PolarHBondContact N-O 3.31Å; H546-F554 PolarHBondContact O-N 3.11Å
547	C	90.8	Very high	86.8	Confident	60 Å²	60	67.5 Å²	67.5	41%	0.405	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.8	178	-57.7	0	0	0	0	110.3	P532 T553	P532-C547 VanDerWaalsContact CG-SG 3.55Å; C547-T553 HydrophobicContact CB-CG2 4.15Å; C547-T553 VanDerWaalsContact SG-CG2 3.56Å
548	L	85.2	Confident	87.3	Confident	26 Å²	26	63.9 Å²	63.9	14%	0.136	38%	0.377	C	S	.	.			trans	-85.1	159.3	174.5	-66	172.7	0	0	0	111.1	R514 H546 D550 G551 F552 F554	R514-L548 HydrophobicContact CG-CD1 4.46Å; H546-L548 WeakPolarHBondContact NE2-CD2 3.32Å; L548-D550 WeakPolarHBondContact CB-OD1 3.34Å; L548-D550 PolarHBondContact O-N 3.06Å; L548-D550 VanDerWaalsContact O-N 3.11Å; L548-G551 PolarHBondContact O-N 3.05Å; L548-F552 HydrophobicContact CB-CB 4.44Å; L548-F552 WeakPolarHBondContact CB-O 3.37Å; L548-F552 HydrophobicContact CD1-CB 4.37Å; L548-F552 HydrophobicContact CD1-CD1 3.77Å; L548-F552 HydrophobicContact CD1-CG 4.49Å; L548-F552 PolarHBondContact N-O 3.2Å; L548-F554 HydrophobicContact CD1-CE1 4.36Å; L548-F554 HydrophobicContact CG-CE1 4.42Å
549	P	78.7	Confident	87.8	Confident	143 Å²	143	60 Å²	60	93%	0.929	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.2	-178.2	-27.1	35.7	0	0	0	114.9	G551	P549-G551 PolarHBondContact O-N 2.72Å
550	D	77.3	Confident	88.2	Confident	79 Å²	79	61.4 Å²	61.4	42%	0.422	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	10.4	177.6	66.2	-11.9	0	0	0	113.5	N512 R514 L548 F552	N512-D550 PolarHBondContact ND2-OD2 3.38Å; R514-D550 IonicContact CZ-OD1 2.7Å; R514-D550 IonicContact CZ-OD2 2.67Å; R514-D550 IonicContact NH1-OD1 3.06Å; R514-D550 PolarHBondContact NH1-OD1 3.47Å; R514-D550 VanDerWaalsContact NH1-OD1 3.13Å; R514-D550 IonicContact NH1-OD2 2.58Å; R514-D550 PolarHBondContact NH1-OD2 3.04Å; R514-D550 IonicContact NH2-OD1 2.81Å; R514-D550 IonicContact NH2-OD2 3.72Å; R514-D550 PolarHBondContact NH2-OD2 2.89Å; L548-D550 WeakPolarHBondContact CB-OD1 3.34Å; L548-D550 PolarHBondContact O-N 3.06Å; L548-D550 VanDerWaalsContact O-N 3.11Å; D550-F552 PolarHBondContact O-N 3.48Å; D550-F552 WeakPolarHBondContact OD1-CB 3.3Å; D550-F552 PolarHBondContact OD1-N 3.27Å
551	G	81.2	Confident	88.6	Confident	59 Å²	59	57.6 Å²	57.6	61%	0.608	33%	0.333	S	S	*	.	S	Bend	trans	79.1	-3.2	-179.6	0	0	0	0	0	114.3	L548 P549 T553	L548-G551 PolarHBondContact O-N 3.05Å; P549-G551 PolarHBondContact O-N 2.72Å; G551-T553 PolarHBondContact O-N 3.47Å
552	F	84.3	Confident	88.8	Confident	40 Å²	40	54.7 Å²	54.7	18%	0.175	32%	0.315	C	S	.	.			trans	-66.7	126.3	173.3	-177.7	-89.9	0	0	0	109.9	K468 R514 L548 D550 F554	K468-F552 HydrophobicContact CB-CE2 4.15Å; R514-F552 VanDerWaalsContact NH2-CB 3.33Å; L548-F552 HydrophobicContact CB-CB 4.44Å; L548-F552 WeakPolarHBondContact CB-O 3.37Å; L548-F552 HydrophobicContact CD1-CB 4.37Å; L548-F552 HydrophobicContact CD1-CD1 3.77Å; L548-F552 HydrophobicContact CD1-CG 4.49Å; L548-F552 PolarHBondContact N-O 3.2Å; D550-F552 PolarHBondContact O-N 3.48Å; D550-F552 WeakPolarHBondContact OD1-CB 3.3Å; D550-F552 PolarHBondContact OD1-N 3.27Å; F552-F554 HydrophobicContact CD1-CD1 4.26Å; F552-F554 HydrophobicContact CE1-CB 3.97Å; F552-F554 HydrophobicContact CE1-CD1 4.03Å; F552-F554 HydrophobicContact CE1-CG 4.43Å
553	T	88.3	Confident	88.8	Confident	55 Å²	55	53.4 Å²	53.4	34%	0.337	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.5	176.8	62.4	0	0	0	0	110.9	L534 H546 C547 G551	L534-T553 HydrophobicContact CD1-CG2 3.86Å; H546-T553 WeakPolarHBondContact O-CA 3.25Å; C547-T553 HydrophobicContact CB-CG2 4.15Å; C547-T553 VanDerWaalsContact SG-CG2 3.56Å; G551-T553 PolarHBondContact O-N 3.47Å
554	F	88.5	Confident	88.8	Confident	45 Å²	45	55 Å²	55	20%	0.197	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145	172.1	67.7	-89.5	0	0	0	111.3	F472 P517 M545 H546 L548 F552 P556	F472-F554 HydrophobicContact CE1-CE1 4.34Å; F472-F554 HydrophobicContact CZ-CD1 4.23Å; F472-F554 HydrophobicContact CZ-CE1 4.16Å; P517-F554 HydrophobicContact CG-CZ 4.24Å; M545-F554 CarbonylContact C-O 3.58Å; M545-F554 WeakPolarHBondContact CA-O 3.2Å; H546-F554 HydrophobicContact CB-CD1 4.14Å; H546-F554 HydrophobicContact CB-CD2 4.4Å; H546-F554 HydrophobicContact CB-CE1 3.7Å; H546-F554 HydrophobicContact CB-CE2 3.96Å; H546-F554 HydrophobicContact CB-CG 4.49Å; H546-F554 HydrophobicContact CB-CZ 3.58Å; H546-F554 AromaticContact CD2-CE1 3.39Å; H546-F554 WeakPolarHBondContact CD2-CE1 3.05Å; H546-F554 AromaticContact CD2-CZ 3.79Å; H546-F554 AromaticContact CG-CE1 3.75Å; H546-F554 AromaticContact CG-CZ 3.74Å; H546-F554 PolarHBondContact N-O 3.31Å; H546-F554 PolarHBondContact O-N 3.11Å; L548-F554 HydrophobicContact CD1-CE1 4.36Å; L548-F554 HydrophobicContact CG-CE1 4.42Å; F552-F554 HydrophobicContact CD1-CD1 4.26Å; F552-F554 HydrophobicContact CE1-CB 3.97Å; F552-F554 HydrophobicContact CE1-CD1 4.03Å; F552-F554 HydrophobicContact CE1-CG 4.43Å; F554-P556 HydrophobicContact CE2-CG 4.28Å; F554-P556 WeakPolarHBondContact O-CD 3.27Å
555	Q	89.6	Confident	88.7	Confident	62 Å²	62	54 Å²	54	29%	0.29	30%	0.304	S	S	.	.			trans	-81	121.1	169.6	-176.9	178.6	9.2	0	0	109.3	H557	Q555-H557 PolarHBondContact O-N 3.35Å; Q555-H557 PolarHBondContact O-ND1 2.94Å
556	P	89.7	Confident	88.7	Confident	11 Å²	11	55 Å²	55	7%	0.071	31%	0.311	C	S	.	.			trans	-63.1	127.7	173.2	-22.3	35.2	0	0	0	111.3	L531 F554 W612	L531-P556 HydrophobicContact CD1-CG 4.16Å; F554-P556 HydrophobicContact CE2-CG 4.28Å; F554-P556 WeakPolarHBondContact O-CD 3.27Å; P556-W612 HydrophobicContact CB-CD2 3.96Å; P556-W612 HydrophobicContact CB-CE3 3.53Å; P556-W612 HydrophobicContact CB-CH2 3.59Å; P556-W612 HydrophobicContact CB-CZ2 3.99Å; P556-W612 HydrophobicContact CB-CZ3 3.35Å; P556-W612 HydrophobicContact CG-CH2 4.04Å; P556-W612 HydrophobicContact CG-CZ2 4.31Å; P556-W612 HydrophobicContact CG-CZ3 4.27Å
557	H	88.1	Confident	88.6	Confident	140 Å²	140	58.7 Å²	58.7	65%	0.648	33%	0.332	S	S	*	.			trans	-108.3	-21.2	179.7	-78	73.8	0	0	0	113.6	Q555 W612	Q555-H557 PolarHBondContact O-N 3.35Å; Q555-H557 PolarHBondContact O-ND1 2.94Å; H557-W612 WeakPolarHBondContact O-CB 2.94Å; H557-W612 PolarHBondContact O-N 2.83Å
558	S	90.2	Very high	88.6	Confident	41 Å²	41	58.9 Å²	58.9	29%	0.287	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	150.9	177.1	55.3	0	0	0	0	110.8	K609 L610	S558-K609 VanDerWaalsContact CB-CE 3.47Å; S558-K609 VanDerWaalsContact OG-CE 3.31Å; S558-K609 WeakPolarHBondContact OG-CE 3.48Å; S558-L610 CarbonylContact C-O 3.56Å; S558-L610 WeakPolarHBondContact CA-O 3.4Å; S558-L610 VanDerWaalsContact CB-O 3.31Å; S558-L610 WeakPolarHBondContact CB-O 3.22Å
559	L	92	Very high	88.9	Confident	32 Å²	32	58.1 Å²	58.1	17%	0.168	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.1	166.9	-179.8	69.8	0	0	0	108.8	L524 L561 L610 V622 L625	L524-L559 HydrophobicContact CD1-CD1 4.04Å; L524-L559 HydrophobicContact CD1-CD2 4.19Å; L524-L559 HydrophobicContact CD2-CD2 3.63Å; L559-L561 HydrophobicContact CD2-CD2 3.63Å; L559-L561 HydrophobicContact CD2-CG 4.23Å; L559-L561 HydrophobicContact CG-CD2 4.14Å; L559-L561 HydrophobicContact CG-CG 4.47Å; L559-L610 HydrophobicContact CB-CB 4.35Å; L559-L610 HydrophobicContact CD2-CD2 4.39Å; L559-L610 PolarHBondContact N-O 2.97Å; L559-L610 PolarHBondContact O-N 2.97Å; L559-V622 HydrophobicContact CB-CG2 3.55Å; L559-V622 HydrophobicContact CD2-CG2 4.4Å; L559-L625 HydrophobicContact CD2-CD2 3.91Å
560	L	93.1	Very high	89.5	Confident	57 Å²	57	52.7 Å²	52.7	30%	0.298	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107.3	169.3	-76.9	161.8	0	0	0	108.1	Y474 F607 K609	Y474-L560 HydrophobicContact CD1-CD1 3.35Å; Y474-L560 HydrophobicContact CE1-CD1 3.31Å; Y474-L560 HydrophobicContact CG-CD1 4.17Å; L560-F607 HydrophobicContact CD2-CB 4.39Å; L560-K609 HydrophobicContact CD2-CB 3.96Å; L560-K609 HydrophobicContact CD2-CG 4.35Å
561	L	93.3	Very high	90.1	Very high	59 Å²	59	52 Å²	52	31%	0.309	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.9	172.1	-63.8	173.5	0	0	0	108.4	L521 L559 F607 T608 L625	L521-L561 HydrophobicContact CD1-CD2 4.2Å; L559-L561 HydrophobicContact CD2-CD2 3.63Å; L559-L561 HydrophobicContact CD2-CG 4.23Å; L559-L561 HydrophobicContact CG-CD2 4.14Å; L559-L561 HydrophobicContact CG-CG 4.47Å; L561-F607 WeakPolarHBondContact O-CA 3.4Å; L561-T608 PolarHBondContact N-O 2.86Å; L561-T608 PolarHBondContact O-N 3.43Å; L561-L625 HydrophobicContact CD2-CD2 4.32Å
562	V	93.9	Very high	90.5	Very high	35 Å²	35	52.6 Å²	52.6	21%	0.212	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.5	-174.5	-168.2	0	0	0	0	110.4	Y489 H564 T605 F607	Y489-V562 HydrophobicContact CD1-CB 4.31Å; Y489-V562 HydrophobicContact CD1-CG1 3.72Å; Y489-V562 HydrophobicContact CD2-CG1 4.28Å; Y489-V562 HydrophobicContact CE1-CB 3.95Å; Y489-V562 HydrophobicContact CE1-CG1 3.67Å; Y489-V562 HydrophobicContact CE1-CG2 3.81Å; Y489-V562 HydrophobicContact CE2-CG1 4.23Å; Y489-V562 HydrophobicContact CG-CG1 4.03Å; V562-H564 HydrophobicContact CG1-CB 4.44Å; V562-H564 PolarHBondContact O-N 2.81Å; V562-H564 PolarHBondContact O-ND1 2.78Å; V562-T605 HydrophobicContact CG1-CG2 3.43Å; V562-T605 VanDerWaalsContact CG1-CG2 3.43Å; V562-F607 HydrophobicContact CB-CD1 4.49Å; V562-F607 HydrophobicContact CB-CE1 4.46Å; V562-F607 HydrophobicContact CG1-CD1 4.23Å; V562-F607 HydrophobicContact CG1-CE1 3.89Å; V562-F607 HydrophobicContact CG1-CZ 4.35Å; V562-F607 HydrophobicContact CG2-CD1 3.74Å; V562-F607 HydrophobicContact CG2-CE1 3.75Å
563	Q	92.6	Very high	90.5	Very high	74 Å²	74	55.9 Å²	55.9	35%	0.346	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.3	167.2	-175.7	176.2	-2.7	0	0	108.2	D567 L600 H606	Q563-D567 PolarHBondContact NE2-OD1 2.94Å; Q563-L600 HydrophobicContact CG-CD1 4.03Å; Q563-H606 HydrophobicContact CB-CB 4.27Å; Q563-H606 PolarHBondContact N-O 3.27Å; Q563-H606 PolarHBondContact O-N 2.85Å
564	H	90	Very high	90.4	Very high	42 Å²	42	54.1 Å²	54.1	19%	0.194	28%	0.278	C	S	.	.			trans	-123.9	3.3	-170.9	66.6	-76.4	0	0	0	114	Y489 V562 L600	Y489-H564 HydrophobicContact CD1-CB 4.44Å; Y489-H564 HydrophobicContact CG-CB 4.48Å; V562-H564 HydrophobicContact CG1-CB 4.44Å; V562-H564 PolarHBondContact O-N 2.81Å; V562-H564 PolarHBondContact O-ND1 2.78Å; H564-L600 PolarHBondContact O-N 3.49Å
565	M	92	Very high	90.2	Very high	29 Å²	29	64.3 Å²	64.3	14%	0.143	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-136.7	159.6	174.6	63.1	-174.9	171.3	0	0	110	W569 E571 Y582 L594 E598 L600	M565-W569 HydrophobicContact SD-CB 4.2Å; M565-E571 HydrophobicContact CE-CB 4.5Å; M565-E571 HydrophobicContact CE-CG 4.05Å; M565-E571 HydrophobicContact SD-CG 4.41Å; M565-Y582 HydrophobicContact SD-CD1 4.09Å; M565-Y582 HydrophobicContact SD-CE1 4.11Å; M565-L594 HydrophobicContact CB-CD2 3.59Å; M565-L594 HydrophobicContact SD-CD2 4.35Å; M565-E598 VanDerWaalsContact CA-O 3.27Å; M565-E598 WeakPolarHBondContact CA-O 3.39Å; M565-L600 WeakPolarHBondContact O-CD1 3.47Å
566	T	91.6	Very high	90.1	Very high	33 Å²	33	66.7 Å²	66.7	20%	0.202	34%	0.338	C	S	.	.			trans	-64.2	155.4	178	68.7	0	0	0	0	111.8	N568 W569 E598 L600	T566-N568 PolarHBondContact O-N 3.22Å; T566-W569 PolarHBondContact O-N 3.31Å; T566-E598 WeakPolarHBondContact CG2-OE2 3.43Å; T566-E598 PolarHBondContact N-O 2.84Å; T566-E598 VanDerWaalsContact N-O 3.14Å; T566-E598 PolarHBondContact OG1-OE2 3.11Å; T566-L600 HydrophobicContact CG2-CD2 3.92Å
567	D	89.8	Confident	90	Very high	111 Å²	111	69.7 Å²	69.7	59%	0.594	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.6	-177	-68.5	-38.4	0	0	0	114.2	Q563 W569 R585	Q563-D567 PolarHBondContact NE2-OD1 2.94Å; D567-W569 PolarHBondContact O-N 3.05Å; D567-R585 PolarHBondContact O-NH2 3.44Å
568	N	90.9	Very high	89.8	Confident	63 Å²	63	65.8 Å²	65.8	34%	0.337	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.2	-178.8	-61	-31.3	0	0	0	112.4	T566 N584 R585 L586	T566-N568 PolarHBondContact O-N 3.22Å; N568-N584 WeakPolarHBondContact O-CA 3.22Å; N568-R585 PolarHBondContact O-N 3.29Å; N568-L586 HydrophobicContact CB-CD1 4.34Å; N568-L586 WeakPolarHBondContact OD1-CD1 3.32Å
569	W	92.5	Very high	89.6	Confident	11 Å²	11	70.4 Å²	70.4	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.9	-174.4	-68.7	88.8	0	0	0	112.3	M565 T566 D567 F583 N584 T591 L594 P595 E598	M565-W569 HydrophobicContact SD-CB 4.2Å; T566-W569 PolarHBondContact O-N 3.31Å; D567-W569 PolarHBondContact O-N 3.05Å; W569-F583 CarbonylContact C-O 3.59Å; W569-F583 WeakPolarHBondContact CA-O 3.17Å; W569-F583 VanDerWaalsContact CE3-C 3.44Å; W569-N584 HydrophobicContact CD2-CB 3.86Å; W569-N584 HydrophobicContact CE3-CB 3.82Å; W569-N584 HydrophobicContact CH2-CB 3.74Å; W569-N584 HydrophobicContact CZ2-CB 3.74Å; W569-N584 WeakPolarHBondContact CZ2-ND2 3.44Å; W569-N584 HydrophobicContact CZ3-CB 3.76Å; W569-N584 PolarHBondContact NE1-ND2 3.09Å; W569-N584 VanDerWaalsContact NE1-ND2 3.14Å; W569-T591 HydrophobicContact CH2-CG2 3.74Å; W569-T591 HydrophobicContact CZ3-CG2 3.61Å; W569-L594 HydrophobicContact CB-CD1 3.92Å; W569-L594 HydrophobicContact CD2-CD1 3.7Å; W569-L594 HydrophobicContact CE3-CD1 4.01Å; W569-L594 HydrophobicContact CG-CD1 3.68Å; W569-P595 HydrophobicContact CH2-CG 4.08Å; W569-P595 HydrophobicContact CZ2-CG 3.73Å; W569-E598 HydrophobicContact CZ2-CG 4.45Å; W569-E598 PolarHBondContact NE1-OE1 2.8Å; W569-E598 PolarHBondContact NE1-OE2 3.47Å
570	T	91.2	Very high	89.4	Confident	28 Å²	28	70.5 Å²	70.5	17%	0.172	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.5	172.1	44.4	0	0	0	0	110.6	E572 Y582 F583 R585	T570-E572 PolarHBondContact OG1-OE1 2.96Å; T570-Y582 CarbonylContact O-C 3.59Å; T570-Y582 WeakPolarHBondContact O-CA 3.46Å; T570-F583 PolarHBondContact N-O 2.69Å; T570-F583 PolarHBondContact O-N 3.05Å; T570-F583 PolarHBondContact OG1-O 3.13Å; T570-R585 HydrophobicContact CG2-CG 4.47Å
571	E	89.7	Confident	89.3	Confident	64 Å²	64	70 Å²	70	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.2	168.5	-79.9	-172.1	161.8	0	0	109.4	M565 L580 Y582	M565-E571 HydrophobicContact CE-CB 4.5Å; M565-E571 HydrophobicContact CE-CG 4.05Å; M565-E571 HydrophobicContact SD-CG 4.41Å; E571-L580 HydrophobicContact CB-CD1 4.18Å; E571-L580 HydrophobicContact CG-CD1 4.38Å; E571-L580 HydrophobicContact CG-CD2 4.16Å; E571-Y582 HydrophobicContact CG-CD1 3.71Å; E571-Y582 HydrophobicContact CG-CE1 3.26Å; E571-Y582 VanDerWaalsContact OE1-CE1 3.25Å; E571-Y582 WeakPolarHBondContact OE1-CE1 3.49Å; E571-Y582 PolarHBondContact OE1-OH 3.19Å
572	E	88.5	Confident	89.3	Confident	72 Å²	72	68.3 Å²	68.3	34%	0.336	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.5	178.7	-68.6	-175.6	-158.9	0	0	110.7	T570 L580 Y581	T570-E572 PolarHBondContact OG1-OE1 2.96Å; E572-L580 CarbonylContact O-C 3.57Å; E572-L580 VanDerWaalsContact O-CA 3.27Å; E572-L580 WeakPolarHBondContact O-CA 3.42Å; E572-Y581 HydrophobicContact CB-CD1 4.1Å; E572-Y581 HydrophobicContact CB-CE1 3.52Å; E572-Y581 HydrophobicContact CB-CE2 4.12Å; E572-Y581 PolarHBondContact N-O 3.22Å; E572-Y581 WeakPolarHBondContact O-CD1 3.27Å; E572-Y581 PolarHBondContact O-N 3.2Å; E572-Y581 PolarHBondContact OE2-OH 3.29Å
573	I	84.7	Confident	89.3	Confident	109 Å²	109	69.2 Å²	69.2	56%	0.559	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.8	175.4	-61.5	176.5	0	0	0	108.1	R575	I573-R575 PolarHBondContact O-N 3.01Å
574	S	86.4	Confident	89.4	Confident	18 Å²	18	65.8 Å²	65.8	13%	0.126	34%	0.339	C	S	.	.			trans	-64.8	126.2	176.2	169.7	0	0	0	0	110.4	S576 T577 G578 K579	S574-S576 VanDerWaalsContact C-N 3.25Å; S574-S576 PolarHBondContact O-N 3.32Å; S574-S576 PolarHBondContact OG-N 3.19Å; S574-S576 PolarHBondContact OG-OG 2.87Å; S574-S576 VanDerWaalsContact OG-OG 3.06Å; S574-T577 VanDerWaalsContact CB-OG1 3.25Å; S574-T577 WeakPolarHBondContact CB-OG1 3.43Å; S574-T577 PolarHBondContact OG-N 2.89Å; S574-T577 PolarHBondContact OG-OG1 2.95Å; S574-G578 WeakPolarHBondContact O-CA 3.39Å; S574-G578 PolarHBondContact O-N 3.25Å; S574-K579 WeakPolarHBondContact CB-O 3.33Å; S574-K579 PolarHBondContact N-O 2.95Å
575	R	85.2	Confident	89.3	Confident	259 Å²	259	70.5 Å²	70.5	98%	0.977	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.5	176.1	-64.9	-176.3	-176.9	-176.3	0	112.9	I573	I573-R575 PolarHBondContact O-N 3.01Å
576	S	86.7	Confident	89.3	Confident	112 Å²	112	75.3 Å²	75.3	78%	0.783	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-36.9	-176.3	57.7	0	0	0	0	112.9	S574	S574-S576 VanDerWaalsContact C-N 3.25Å; S574-S576 PolarHBondContact O-N 3.32Å; S574-S576 PolarHBondContact OG-N 3.19Å; S574-S576 PolarHBondContact OG-OG 2.87Å; S574-S576 VanDerWaalsContact OG-OG 3.06Å
577	T	87.1	Confident	89.3	Confident	75 Å²	75	79.8 Å²	79.8	46%	0.46	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-14.7	-176.2	64.2	0	0	0	0	113.8	S574 K579	S574-T577 VanDerWaalsContact CB-OG1 3.25Å; S574-T577 WeakPolarHBondContact CB-OG1 3.43Å; S574-T577 PolarHBondContact OG-N 2.89Å; S574-T577 PolarHBondContact OG-OG1 2.95Å; T577-K579 PolarHBondContact O-N 3.32Å; T577-K579 VanDerWaalsContact O-N 3.14Å; T577-K579 WeakPolarHBondContact OG1-CB 3.46Å; T577-K579 PolarHBondContact OG1-N 3.12Å
578	G	84	Confident	89.5	Confident	57 Å²	57	78.7 Å²	78.7	59%	0.588	40%	0.398	S	S	*	.			trans	65.7	5.8	-170.2	0	0	0	0	0	113.7	S574	S574-G578 WeakPolarHBondContact O-CA 3.39Å; S574-G578 PolarHBondContact O-N 3.25Å
579	K	86.6	Confident	89.6	Confident	138 Å²	138	80.6 Å²	80.6	60%	0.6	41%	0.405	S	S	*	.			trans	-88.7	144.5	-178.7	-65.1	-174.5	178.5	-176.7	0	110.7	S574 T577 F592	S574-K579 WeakPolarHBondContact CB-O 3.33Å; S574-K579 PolarHBondContact N-O 2.95Å; T577-K579 PolarHBondContact O-N 3.32Å; T577-K579 VanDerWaalsContact O-N 3.14Å; T577-K579 WeakPolarHBondContact OG1-CB 3.46Å; T577-K579 PolarHBondContact OG1-N 3.12Å; K579-F592 HydrophobicContact CB-CD1 4.34Å; K579-F592 HydrophobicContact CB-CE1 3.89Å
580	L	86.8	Confident	89.6	Confident	34 Å²	34	84 Å²	84	18%	0.178	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.1	170	-171.5	118.6	0	0	0	109.7	E571 E572 Y582 F592	E571-L580 HydrophobicContact CB-CD1 4.18Å; E571-L580 HydrophobicContact CG-CD1 4.38Å; E571-L580 HydrophobicContact CG-CD2 4.16Å; E572-L580 CarbonylContact O-C 3.57Å; E572-L580 VanDerWaalsContact O-CA 3.27Å; E572-L580 WeakPolarHBondContact O-CA 3.42Å; L580-Y582 HydrophobicContact CD2-CE2 4.02Å; L580-F592 WeakPolarHBondContact O-CD1 3.4Å
581	Y	92	Very high	89.7	Confident	47 Å²	47	84.8 Å²	84.8	18%	0.184	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.2	170.1	73.7	-81.9	0	0	0	109.7	E572 F583 T591	E572-Y581 HydrophobicContact CB-CD1 4.1Å; E572-Y581 HydrophobicContact CB-CE1 3.52Å; E572-Y581 HydrophobicContact CB-CE2 4.12Å; E572-Y581 PolarHBondContact N-O 3.22Å; E572-Y581 WeakPolarHBondContact O-CD1 3.27Å; E572-Y581 PolarHBondContact O-N 3.2Å; E572-Y581 PolarHBondContact OE2-OH 3.29Å; Y581-F583 HydrophobicContact CD2-CB 4.4Å; Y581-F583 HydrophobicContact CE2-CB 3.87Å; Y581-T591 CarbonylContact C-O 3.55Å; Y581-T591 WeakPolarHBondContact CA-O 3.2Å; Y581-T591 WeakPolarHBondContact CB-O 3.41Å
582	Y	93.3	Very high	89.9	Confident	23 Å²	23	87 Å²	87	9%	0.09	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.6	174.9	-61.8	-85.8	0	0	0	108.9	M565 T570 E571 L580 S590 T591 L594	M565-Y582 HydrophobicContact SD-CD1 4.09Å; M565-Y582 HydrophobicContact SD-CE1 4.11Å; T570-Y582 CarbonylContact O-C 3.59Å; T570-Y582 WeakPolarHBondContact O-CA 3.46Å; E571-Y582 HydrophobicContact CG-CD1 3.71Å; E571-Y582 HydrophobicContact CG-CE1 3.26Å; E571-Y582 VanDerWaalsContact OE1-CE1 3.25Å; E571-Y582 WeakPolarHBondContact OE1-CE1 3.49Å; E571-Y582 PolarHBondContact OE1-OH 3.19Å; L580-Y582 HydrophobicContact CD2-CE2 4.02Å; Y582-S590 CarbonylContact O-C 3.54Å; Y582-S590 VanDerWaalsContact O-CA 3.3Å; Y582-S590 WeakPolarHBondContact O-CA 3.24Å; Y582-T591 PolarHBondContact N-O 3.26Å; Y582-T591 PolarHBondContact O-N 3.34Å; Y582-L594 HydrophobicContact CD1-CB 3.98Å; Y582-L594 HydrophobicContact CD1-CD1 3.78Å; Y582-L594 HydrophobicContact CD1-CD2 4.41Å; Y582-L594 HydrophobicContact CD1-CG 4.27Å; Y582-L594 HydrophobicContact CD2-CB 3.83Å; Y582-L594 HydrophobicContact CE1-CB 4.03Å; Y582-L594 HydrophobicContact CE1-CD1 4.44Å; Y582-L594 HydrophobicContact CE1-CD2 4.3Å; Y582-L594 HydrophobicContact CE1-CG 4.5Å; Y582-L594 HydrophobicContact CE2-CB 3.91Å; Y582-L594 HydrophobicContact CG-CB 3.89Å; Y582-L594 HydrophobicContact CG-CD1 3.94Å; Y582-L594 HydrophobicContact CG-CG 4.47Å
583	F	94	Very high	89.9	Confident	55 Å²	55	89.6 Å²	89.6	24%	0.241	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125	176.7	-177.4	-113.1	0	0	0	110.7	W569 T570 Y581 R585 E589	W569-F583 CarbonylContact C-O 3.59Å; W569-F583 WeakPolarHBondContact CA-O 3.17Å; W569-F583 VanDerWaalsContact CE3-C 3.44Å; T570-F583 PolarHBondContact N-O 2.69Å; T570-F583 PolarHBondContact O-N 3.05Å; T570-F583 PolarHBondContact OG1-O 3.13Å; Y581-F583 HydrophobicContact CD2-CB 4.4Å; Y581-F583 HydrophobicContact CE2-CB 3.87Å; F583-R585 HydrophobicContact CD1-CG 3.97Å; F583-R585 HydrophobicContact CE1-CG 4.14Å; F583-E589 CarbonylContact C-O 3.58Å; F583-E589 WeakPolarHBondContact CA-O 3.25Å; F583-E589 WeakPolarHBondContact CD2-O 3.44Å
584	N	94	Very high	90.1	Very high	1 Å²	1	85.1 Å²	85.1	1%	0.005	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.7	172.7	-170	-54	0	0	0	109.5	N568 W569 L586 K587 S588 E589	N568-N584 WeakPolarHBondContact O-CA 3.22Å; W569-N584 HydrophobicContact CD2-CB 3.86Å; W569-N584 HydrophobicContact CE3-CB 3.82Å; W569-N584 HydrophobicContact CH2-CB 3.74Å; W569-N584 HydrophobicContact CZ2-CB 3.74Å; W569-N584 WeakPolarHBondContact CZ2-ND2 3.44Å; W569-N584 HydrophobicContact CZ3-CB 3.76Å; W569-N584 PolarHBondContact NE1-ND2 3.09Å; W569-N584 VanDerWaalsContact NE1-ND2 3.14Å; N584-L586 VanDerWaalsContact C-N 3.27Å; N584-L586 PolarHBondContact O-N 3.47Å; N584-L586 PolarHBondContact OD1-N 3.17Å; N584-K587 HydrophobicContact CB-CB 4.25Å; N584-K587 PolarHBondContact O-N 3.39Å; N584-K587 PolarHBondContact OD1-N 3.36Å; N584-S588 VanDerWaalsContact O-CA 3.29Å; N584-S588 WeakPolarHBondContact O-CA 3.4Å; N584-S588 PolarHBondContact O-N 3.13Å; N584-E589 HydrophobicContact CB-CB 4.37Å; N584-E589 PolarHBondContact N-O 3.44Å; N584-E589 PolarHBondContact O-N 3.04Å
585	R	89.1	Confident	90.3	Very high	142 Å²	142	86.5 Å²	86.5	54%	0.536	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.6	-176	-65.4	-175.9	-77.7	-163.9	-6.8	113.7	D567 N568 T570 F583	D567-R585 PolarHBondContact O-NH2 3.44Å; N568-R585 PolarHBondContact O-N 3.29Å; T570-R585 HydrophobicContact CG2-CG 4.47Å; F583-R585 HydrophobicContact CD1-CG 3.97Å; F583-R585 HydrophobicContact CE1-CG 4.14Å
586	L	91.5	Very high	90.3	Very high	129 Å²	129	82.8 Å²	82.8	68%	0.675	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-41.2	179.6	-65.2	-178.3	0	0	0	112	N568 N584	N568-L586 HydrophobicContact CB-CD1 4.34Å; N568-L586 WeakPolarHBondContact OD1-CD1 3.32Å; N584-L586 VanDerWaalsContact C-N 3.27Å; N584-L586 PolarHBondContact O-N 3.47Å; N584-L586 PolarHBondContact OD1-N 3.17Å
587	K	92.4	Very high	90.4	Very high	127 Å²	127	82.1 Å²	82.1	55%	0.552	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-12.1	-177.1	-61	-177.2	-178.6	175.6	0	113.5	N584 E589	N584-K587 HydrophobicContact CB-CB 4.25Å; N584-K587 PolarHBondContact O-N 3.39Å; N584-K587 PolarHBondContact OD1-N 3.36Å; K587-E589 HydrophobicContact CB-CB 4.27Å; K587-E589 HydrophobicContact CB-CG 3.84Å; K587-E589 WeakPolarHBondContact CD-OE2 3.42Å; K587-E589 PolarHBondContact O-N 2.93Å
588	S	92.4	Very high	90.7	Very high	89 Å²	89	79.8 Å²	79.8	62%	0.622	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	38.1	-170.2	-56.5	0	0	0	0	112.9	N584	N584-S588 VanDerWaalsContact O-CA 3.29Å; N584-S588 WeakPolarHBondContact O-CA 3.4Å; N584-S588 PolarHBondContact O-N 3.13Å
589	E	93	Very high	91	Very high	102 Å²	102	79.6 Å²	79.6	48%	0.477	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.2	-179.7	-71.4	173.3	172.6	0	0	110.2	F583 N584 K587	F583-E589 CarbonylContact C-O 3.58Å; F583-E589 WeakPolarHBondContact CA-O 3.25Å; F583-E589 WeakPolarHBondContact CD2-O 3.44Å; N584-E589 HydrophobicContact CB-CB 4.37Å; N584-E589 PolarHBondContact N-O 3.44Å; N584-E589 PolarHBondContact O-N 3.04Å; K587-E589 HydrophobicContact CB-CB 4.27Å; K587-E589 HydrophobicContact CB-CG 3.84Å; K587-E589 WeakPolarHBondContact CD-OE2 3.42Å; K587-E589 PolarHBondContact O-N 2.93Å
590	S	93.1	Very high	91.4	Very high	84 Å²	84	73.9 Å²	73.9	59%	0.587	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.4	175.4	59.8	0	0	0	0	111	Y582	Y582-S590 CarbonylContact O-C 3.54Å; Y582-S590 VanDerWaalsContact O-CA 3.3Å; Y582-S590 WeakPolarHBondContact O-CA 3.24Å
591	T	94.1	Very high	91.6	Very high	43 Å²	43	73.2 Å²	73.2	26%	0.264	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.8	175.6	176.4	0	0	0	0	110.2	W569 Y581 Y582 D593	W569-T591 HydrophobicContact CH2-CG2 3.74Å; W569-T591 HydrophobicContact CZ3-CG2 3.61Å; Y581-T591 CarbonylContact C-O 3.55Å; Y581-T591 WeakPolarHBondContact CA-O 3.2Å; Y581-T591 WeakPolarHBondContact CB-O 3.41Å; Y582-T591 PolarHBondContact N-O 3.26Å; Y582-T591 PolarHBondContact O-N 3.34Å; T591-D593 WeakPolarHBondContact CG2-O 3.49Å; T591-D593 PolarHBondContact OG1-N 3.45Å; T591-D593 VanDerWaalsContact OG1-N 3.16Å; T591-D593 PolarHBondContact OG1-O 3.33Å
592	F	92.4	Very high	91.7	Very high	111 Å²	111	73.9 Å²	73.9	49%	0.487	38%	0.381	S	S	.	.	S	Bend	trans	-81.7	-20.2	173	-71.8	-76.3	0	0	0	112.6	K579 L580	K579-F592 HydrophobicContact CB-CD1 4.34Å; K579-F592 HydrophobicContact CB-CE1 3.89Å; L580-F592 WeakPolarHBondContact O-CD1 3.4Å
593	D	90	Very high	91.6	Very high	127 Å²	127	78.2 Å²	78.2	68%	0.679	41%	0.41	S	S	*	.	S	Bend	trans	-119.7	121.9	178.9	-60.9	-57.8	0	0	0	109.4	T591	T591-D593 WeakPolarHBondContact CG2-O 3.49Å; T591-D593 PolarHBondContact OG1-N 3.45Å; T591-D593 VanDerWaalsContact OG1-N 3.16Å; T591-D593 PolarHBondContact OG1-O 3.33Å
594	L	88.7	Confident	91.6	Very high	15 Å²	15	80.3 Å²	80.3	8%	0.079	42%	0.42	C	S	.	.			trans	-63.5	129.9	176.9	-173.3	67.6	0	0	0	109	M565 W569 Y582 E598	M565-L594 HydrophobicContact CB-CD2 3.59Å; M565-L594 HydrophobicContact SD-CD2 4.35Å; W569-L594 HydrophobicContact CB-CD1 3.92Å; W569-L594 HydrophobicContact CD2-CD1 3.7Å; W569-L594 HydrophobicContact CE3-CD1 4.01Å; W569-L594 HydrophobicContact CG-CD1 3.68Å; Y582-L594 HydrophobicContact CD1-CB 3.98Å; Y582-L594 HydrophobicContact CD1-CD1 3.78Å; Y582-L594 HydrophobicContact CD1-CD2 4.41Å; Y582-L594 HydrophobicContact CD1-CG 4.27Å; Y582-L594 HydrophobicContact CD2-CB 3.83Å; Y582-L594 HydrophobicContact CE1-CB 4.03Å; Y582-L594 HydrophobicContact CE1-CD1 4.44Å; Y582-L594 HydrophobicContact CE1-CD2 4.3Å; Y582-L594 HydrophobicContact CE1-CG 4.5Å; Y582-L594 HydrophobicContact CE2-CB 3.91Å; Y582-L594 HydrophobicContact CG-CB 3.89Å; Y582-L594 HydrophobicContact CG-CD1 3.94Å; Y582-L594 HydrophobicContact CG-CG 4.47Å; L594-E598 HydrophobicContact CD1-CB 3.89Å; L594-E598 HydrophobicContact CD2-CB 4.33Å; L594-E598 HydrophobicContact CG-CB 3.96Å
595	P	89.3	Confident	91.5	Very high	47 Å²	47	80.7 Å²	80.7	31%	0.305	42%	0.423	S	S	.	.			trans	-59.2	143	179	-23.5	34.3	0	0	0	111.6	W569 S597 E598	W569-P595 HydrophobicContact CH2-CG 4.08Å; W569-P595 HydrophobicContact CZ2-CG 3.73Å; P595-S597 PolarHBondContact O-N 2.86Å; P595-S597 VanDerWaalsContact O-N 3.09Å; P595-E598 HydrophobicContact CB-CG 3.98Å; P595-E598 HydrophobicContact CG-CG 4.2Å; P595-E598 WeakPolarHBondContact O-CB 3.34Å; P595-E598 PolarHBondContact O-N 2.96Å
596	E	86.2	Confident	91.6	Very high	181 Å²	181	79.3 Å²	79.3	85%	0.846	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-55.2	-35.5	-175.7	-72.2	-171.2	166.7	0	0	113.4	E598 H599	E596-E598 PolarHBondContact O-N 3.42Å; E596-H599 PolarHBondContact O-N 2.93Å
597	S	88.5	Confident	91.7	Very high	98 Å²	98	77 Å²	77	69%	0.685	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12.9	178.7	57.6	0	0	0	0	114.4	P595	P595-S597 PolarHBondContact O-N 2.86Å; P595-S597 VanDerWaalsContact O-N 3.09Å
598	E	92.8	Very high	91.7	Very high	26 Å²	26	75.2 Å²	75.2	12%	0.121	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-102.4	-4.9	-174.3	-56.3	-71.7	-177.1	0	0	112.2	M565 T566 W569 L594 P595 E596	M565-E598 VanDerWaalsContact CA-O 3.27Å; M565-E598 WeakPolarHBondContact CA-O 3.39Å; T566-E598 WeakPolarHBondContact CG2-OE2 3.43Å; T566-E598 PolarHBondContact N-O 2.84Å; T566-E598 VanDerWaalsContact N-O 3.14Å; T566-E598 PolarHBondContact OG1-OE2 3.11Å; W569-E598 HydrophobicContact CZ2-CG 4.45Å; W569-E598 PolarHBondContact NE1-OE1 2.8Å; W569-E598 PolarHBondContact NE1-OE2 3.47Å; L594-E598 HydrophobicContact CD1-CB 3.89Å; L594-E598 HydrophobicContact CD2-CB 4.33Å; L594-E598 HydrophobicContact CG-CB 3.96Å; P595-E598 HydrophobicContact CB-CG 3.98Å; P595-E598 HydrophobicContact CG-CG 4.2Å; P595-E598 WeakPolarHBondContact O-CB 3.34Å; P595-E598 PolarHBondContact O-N 2.96Å; E596-E598 PolarHBondContact O-N 3.42Å
599	H	91.8	Very high	91.8	Very high	52 Å²	52	78 Å²	78	24%	0.241	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-76.5	131.2	168.9	-69.8	-63.8	0	0	0	110.8	P488 E596	P488-H599 HydrophobicContact CB-CB 3.97Å; P488-H599 HydrophobicContact CG-CB 3.87Å; P488-H599 VanDerWaalsContact CG-CD2 3.42Å; P488-H599 WeakPolarHBondContact CG-CD2 2.88Å; E596-H599 PolarHBondContact O-N 2.93Å
600	L	93.7	Very high	91.7	Very high	18 Å²	18	73.8 Å²	73.8	9%	0.094	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-74.2	132.5	175.9	-61.6	-178.9	0	0	0	111	R492 Q563 H564 M565 T566 E604	R492-L600 PolarHBondContact NH1-O 3.01Å; Q563-L600 HydrophobicContact CG-CD1 4.03Å; H564-L600 PolarHBondContact O-N 3.49Å; M565-L600 WeakPolarHBondContact O-CD1 3.47Å; T566-L600 HydrophobicContact CG2-CD2 3.92Å; L600-E604 HydrophobicContact CB-CB 4Å; L600-E604 HydrophobicContact CD2-CB 4.06Å; L600-E604 HydrophobicContact CG-CB 4.46Å
601	S	92.4	Very high	91.7	Very high	20 Å²	20	72 Å²	72	14%	0.14	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-66.4	170.9	171.2	69.5	0	0	0	0	111.4	R485 T603 E604 T605	R485-S601 CarbonylContact O-C 3.4Å; R485-S601 WeakPolarHBondContact O-CA 3.06Å; R485-S601 WeakPolarHBondContact O-CB 3.39Å; S601-T603 PolarHBondContact O-N 3.45Å; S601-T603 PolarHBondContact OG-OG1 2.91Å; S601-E604 WeakPolarHBondContact CB-OE2 3.19Å; S601-E604 PolarHBondContact N-OE2 3.49Å; S601-E604 PolarHBondContact O-N 3.17Å; S601-E604 VanDerWaalsContact O-N 3.09Å; S601-E604 WeakPolarHBondContact OG-CG 3.48Å; S601-E604 PolarHBondContact OG-OE2 2.84Å; S601-T605 PolarHBondContact O-N 3.31Å; S601-T605 PolarHBondContact O-OG1 3.2Å
602	F	93.2	Very high	91.4	Very high	62 Å²	62	71.6 Å²	71.6	27%	0.272	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41	175.8	177.8	-85.1	0	0	0	112.7	D475 V477 R485 E604	D475-F602 HydrophobicContact CB-CD2 4.18Å; D475-F602 HydrophobicContact CB-CE2 3.74Å; D475-F602 VanDerWaalsContact CG-CD2 3.46Å; D475-F602 WeakPolarHBondContact OD2-CD2 3.32Å; V477-F602 HydrophobicContact CG2-CD1 3.9Å; V477-F602 HydrophobicContact CG2-CD2 3.86Å; V477-F602 HydrophobicContact CG2-CE1 3.47Å; V477-F602 VanDerWaalsContact CG2-CE1 3.47Å; V477-F602 HydrophobicContact CG2-CE2 3.4Å; V477-F602 HydrophobicContact CG2-CG 4.1Å; V477-F602 HydrophobicContact CG2-CZ 3.21Å; R485-F602 HydrophobicContact CB-CB 4.06Å; R485-F602 HydrophobicContact CG-CB 4.08Å; R485-F602 HydrophobicContact CG-CG 4.44Å; R485-F602 PolarHBondContact O-N 2.9Å; F602-E604 VanDerWaalsContact C-N 3.31Å; F602-E604 PolarHBondContact O-N 3.23Å
603	T	91	Very high	90.9	Very high	114 Å²	114	72.4 Å²	72.4	70%	0.699	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.2	-178.5	41.5	0	0	0	0	113.8	S601	S601-T603 PolarHBondContact O-N 3.45Å; S601-T603 PolarHBondContact OG-OG1 2.91Å
604	E	93.3	Very high	90.3	Very high	98 Å²	98	68.3 Å²	68.3	46%	0.458	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-15.1	-179.3	-63.2	161.5	143.5	0	0	112.1	L600 S601 F602 H606	L600-E604 HydrophobicContact CB-CB 4Å; L600-E604 HydrophobicContact CD2-CB 4.06Å; L600-E604 HydrophobicContact CG-CB 4.46Å; S601-E604 WeakPolarHBondContact CB-OE2 3.19Å; S601-E604 PolarHBondContact N-OE2 3.49Å; S601-E604 PolarHBondContact O-N 3.17Å; S601-E604 VanDerWaalsContact O-N 3.09Å; S601-E604 WeakPolarHBondContact OG-CG 3.48Å; S601-E604 PolarHBondContact OG-OE2 2.84Å; F602-E604 VanDerWaalsContact C-N 3.31Å; F602-E604 PolarHBondContact O-N 3.23Å; E604-H606 PolarHBondContact O-CD2 2.96Å; E604-H606 PolarHBondContact O-N 2.67Å; E604-H606 PolarHBondContact O-NE2 3.28Å
605	T	93.2	Very high	89.6	Confident	10 Å²	10	77.2 Å²	77.2	6%	0.061	40%	0.397	C	S	.	.			trans	-67.8	122.6	179.3	-59.7	0	0	0	0	109.6	Y489 R492 V562 S601 F607	Y489-T605 HydrophobicContact CD2-CG2 4.09Å; Y489-T605 HydrophobicContact CG-CG2 4.36Å; R492-T605 PolarHBondContact NH2-OG1 3.45Å; V562-T605 HydrophobicContact CG1-CG2 3.43Å; V562-T605 VanDerWaalsContact CG1-CG2 3.43Å; S601-T605 PolarHBondContact O-N 3.31Å; S601-T605 PolarHBondContact O-OG1 3.2Å; T605-F607 HydrophobicContact CG2-CE1 4.44Å; T605-F607 HydrophobicContact CG2-CE2 3.81Å; T605-F607 HydrophobicContact CG2-CZ 3.74Å
606	H	91.7	Very high	89	Confident	113 Å²	113	81.5 Å²	81.5	52%	0.523	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.5	-179.9	-66.7	-64.2	0	0	0	111.5	Q563 E604	Q563-H606 HydrophobicContact CB-CB 4.27Å; Q563-H606 PolarHBondContact N-O 3.27Å; Q563-H606 PolarHBondContact O-N 2.85Å; E604-H606 PolarHBondContact O-CD2 2.96Å; E604-H606 PolarHBondContact O-N 2.67Å; E604-H606 PolarHBondContact O-NE2 3.28Å
607	F	93.2	Very high	88	Confident	80 Å²	80	81.8 Å²	81.8	35%	0.351	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	179.5	-60.6	-93.1	0	0	0	110	D475 Y489 L560 L561 V562 T605	D475-F607 HydrophobicContact CB-CZ 4.04Å; Y489-F607 HydrophobicContact CD2-CZ 4.46Å; Y489-F607 AromaticContact CE2-CE1 3.87Å; Y489-F607 HydrophobicContact CE2-CE1 3.87Å; Y489-F607 AromaticContact CE2-CZ 3.83Å; Y489-F607 HydrophobicContact CE2-CZ 3.83Å; L560-F607 HydrophobicContact CD2-CB 4.39Å; L561-F607 WeakPolarHBondContact O-CA 3.4Å; V562-F607 HydrophobicContact CB-CD1 4.49Å; V562-F607 HydrophobicContact CB-CE1 4.46Å; V562-F607 HydrophobicContact CG1-CD1 4.23Å; V562-F607 HydrophobicContact CG1-CE1 3.89Å; V562-F607 HydrophobicContact CG1-CZ 4.35Å; V562-F607 HydrophobicContact CG2-CD1 3.74Å; V562-F607 HydrophobicContact CG2-CE1 3.75Å; T605-F607 HydrophobicContact CG2-CE1 4.44Å; T605-F607 HydrophobicContact CG2-CE2 3.81Å; T605-F607 HydrophobicContact CG2-CZ 3.74Å
608	T	92.9	Very high	87.4	Confident	89 Å²	89	87.5 Å²	87.5	55%	0.546	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.9	170.5	-61.2	0	0	0	0	109.1	L561	L561-T608 PolarHBondContact N-O 2.86Å; L561-T608 PolarHBondContact O-N 3.43Å
609	K	92.4	Very high	86.8	Confident	149 Å²	149	88.2 Å²	88.2	65%	0.648	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.4	177.4	-175.2	-179.4	177.7	-180	0	110.2	S558 L560	S558-K609 VanDerWaalsContact CB-CE 3.47Å; S558-K609 VanDerWaalsContact OG-CE 3.31Å; S558-K609 WeakPolarHBondContact OG-CE 3.48Å; L560-K609 HydrophobicContact CD2-CB 3.96Å; L560-K609 HydrophobicContact CD2-CG 4.35Å
610	L	92.8	Very high	86.5	Confident	13 Å²	13	89.6 Å²	89.6	7%	0.068	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.6	175.5	-170.9	71.4	0	0	0	109.2	S558 L559 P620 V622 L625	S558-L610 CarbonylContact C-O 3.56Å; S558-L610 WeakPolarHBondContact CA-O 3.4Å; S558-L610 VanDerWaalsContact CB-O 3.31Å; S558-L610 WeakPolarHBondContact CB-O 3.22Å; L559-L610 HydrophobicContact CB-CB 4.35Å; L559-L610 HydrophobicContact CD2-CD2 4.39Å; L559-L610 PolarHBondContact N-O 2.97Å; L559-L610 PolarHBondContact O-N 2.97Å; L610-P620 VanDerWaalsContact CD1-C 3.43Å; L610-P620 HydrophobicContact CD1-CB 3.73Å; L610-P620 HydrophobicContact CD1-CG 4.09Å; L610-P620 VanDerWaalsContact CD1-O 3.26Å; L610-P620 WeakPolarHBondContact CD1-O 3.37Å; L610-V622 HydrophobicContact CD2-CG2 4.08Å; L610-V622 HydrophobicContact CG-CG2 4.33Å; L610-L625 HydrophobicContact CD2-CB 4.04Å; L610-L625 HydrophobicContact CD2-CD2 3.73Å
611	P	92.2	Very high	86.4	Confident	45 Å²	45	89.1 Å²	89.1	29%	0.292	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	148.6	177.9	29.1	-34.7	0	0	0	111.2	S621 V622	P611-S621 CarbonylContact O-C 3.58Å; P611-S621 VanDerWaalsContact O-CA 3.29Å; P611-S621 WeakPolarHBondContact O-CA 3.49Å; P611-V622 PolarHBondContact O-N 3.27Å
612	W	88.5	Confident	86.3	Confident	35 Å²	35	88.2 Å²	88.2	13%	0.133	43%	0.433	C	S	.	.	S	Bend	trans	-65.9	-47.8	179.4	-154.2	-92.7	0	0	0	111.9	Y527 V528 L531 P556 H557 V622	Y527-W612 HydrophobicContact CE1-CH2 4.33Å; V528-W612 HydrophobicContact CG1-CZ2 4.46Å; V528-W612 HydrophobicContact CG2-CH2 3.94Å; V528-W612 HydrophobicContact CG2-CZ2 3.91Å; L531-W612 HydrophobicContact CD1-CH2 4.31Å; L531-W612 HydrophobicContact CD1-CZ2 3.9Å; P556-W612 HydrophobicContact CB-CD2 3.96Å; P556-W612 HydrophobicContact CB-CE3 3.53Å; P556-W612 HydrophobicContact CB-CH2 3.59Å; P556-W612 HydrophobicContact CB-CZ2 3.99Å; P556-W612 HydrophobicContact CB-CZ3 3.35Å; P556-W612 HydrophobicContact CG-CH2 4.04Å; P556-W612 HydrophobicContact CG-CZ2 4.31Å; P556-W612 HydrophobicContact CG-CZ3 4.27Å; H557-W612 WeakPolarHBondContact O-CB 2.94Å; H557-W612 PolarHBondContact O-N 2.83Å; W612-V622 HydrophobicContact CD2-CB 4.12Å; W612-V622 HydrophobicContact CD2-CG1 4.17Å; W612-V622 HydrophobicContact CD2-CG2 4.15Å; W612-V622 HydrophobicContact CE3-CB 4.11Å; W612-V622 HydrophobicContact CE3-CG1 4.08Å; W612-V622 HydrophobicContact CE3-CG2 3.69Å; W612-V622 HydrophobicContact CG-CB 4.43Å; W612-V622 HydrophobicContact CH2-CG1 4.12Å; W612-V622 HydrophobicContact CZ2-CG1 4.22Å; W612-V622 HydrophobicContact CZ3-CG1 4.04Å; W612-V622 HydrophobicContact CZ3-CG2 4.16Å
613	I	81.7	Confident	86	Confident	129 Å²	129	88.5 Å²	88.5	66%	0.662	44%	0.439	S	S	*	.	S	Bend	trans	-127.9	146.2	175.4	-56.2	174.4	0	0	0	107.5
614	T	77.6	Confident	85.9	Confident	41 Å²	41	86 Å²	86	25%	0.252	42%	0.424	S	S	.	.			trans	-135.4	139.5	172.7	-176.5	0	0	0	0	109.8	Q616 C619	T614-Q616 PolarHBondContact OG1-N 3.36Å; T614-C619 HydrophobicContact CG2-CB 3.93Å; T614-C619 VanDerWaalsContact CG2-O 3.26Å; T614-C619 WeakPolarHBondContact CG2-O 3.46Å
615	E	73.4	Confident	85.8	Confident	202 Å²	202	83 Å²	83	94%	0.944	41%	0.411	S	S	*	.	S	Bend	trans	-78.1	-15.2	174	-63	-177.7	176.1	0	0	111.7	K617	E615-K617 PolarHBondContact O-N 3.05Å
616	Q	75.4	Confident	85.7	Confident	136 Å²	136	83.3 Å²	83.3	64%	0.636	41%	0.412	S	S	*	.	S	Bend	trans	-87.3	114.2	-177.1	-66.5	179.7	-5.2	0	0	110.5	T614 Y618 C619	T614-Q616 PolarHBondContact OG1-N 3.36Å; Q616-Y618 PolarHBondContact O-N 2.96Å; Q616-C619 HydrophobicContact CB-CB 3.72Å; Q616-C619 PolarHBondContact O-N 3.22Å
617	K	66.9	Low	85.5	Confident	188 Å²	188	83 Å²	83	82%	0.817	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-25.1	-172.4	-148.5	177.6	-173.6	-179	0	115.9	E615	E615-K617 PolarHBondContact O-N 3.05Å
618	Y	74.9	Confident	85.4	Confident	217 Å²	217	85.7 Å²	85.7	85%	0.851	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	2.6	-177.2	-56.2	-67.8	0	0	0	113.9	Q616	Q616-Y618 PolarHBondContact O-N 2.96Å
619	C	80.9	Confident	85.1	Confident	42 Å²	42	82.8 Å²	82.8	28%	0.284	40%	0.4	S	S	.	.	S	Bend	trans	-83.6	130.2	179.6	-160.2	0	0	0	0	108.4	T614 Q616 S621	T614-C619 HydrophobicContact CG2-CB 3.93Å; T614-C619 VanDerWaalsContact CG2-O 3.26Å; T614-C619 WeakPolarHBondContact CG2-O 3.46Å; Q616-C619 HydrophobicContact CB-CB 3.72Å; Q616-C619 PolarHBondContact O-N 3.22Å; C619-S621 PolarHBondContact O-N 3.34Å
620	P	85.2	Confident	84.9	Confident	81 Å²	81	79 Å²	79	53%	0.526	39%	0.385	S	S	.	.			trans	-64.6	139.5	178.1	27.7	-33.8	0	0	0	109.6	L610	L610-P620 VanDerWaalsContact CD1-C 3.43Å; L610-P620 HydrophobicContact CD1-CB 3.73Å; L610-P620 HydrophobicContact CD1-CG 4.09Å; L610-P620 VanDerWaalsContact CD1-O 3.26Å; L610-P620 WeakPolarHBondContact CD1-O 3.37Å
621	S	91.7	Very high	84.6	Confident	7 Å²	7	85.1 Å²	85.1	5%	0.049	41%	0.411	C	S	.	.			trans	-134.7	167.8	177.3	63.1	0	0	0	0	110.6	P611 C619 T623 T624 L625	P611-S621 CarbonylContact O-C 3.58Å; P611-S621 VanDerWaalsContact O-CA 3.29Å; P611-S621 WeakPolarHBondContact O-CA 3.49Å; C619-S621 PolarHBondContact O-N 3.34Å; S621-T623 PolarHBondContact O-N 2.98Å; S621-T624 PolarHBondContact N-OG1 3.29Å; S621-T624 PolarHBondContact O-N 2.98Å; S621-T624 PolarHBondContact O-OG1 2.96Å; S621-T624 PolarHBondContact OG-N 2.83Å; S621-T624 PolarHBondContact OG-OG1 3.13Å; S621-L625 PolarHBondContact O-N 3.36Å
622	V	90.9	Very high	83.9	Confident	2 Å²	2	89 Å²	89	1%	0.012	43%	0.427	C	S	.	.	H	α-helix	trans	-57.5	-41.1	173.5	177.4	0	0	0	0	110.4	V528 L559 L610 P611 W612 T624 L625 I626	V528-V622 HydrophobicContact CG2-CG1 4.46Å; L559-V622 HydrophobicContact CB-CG2 3.55Å; L559-V622 HydrophobicContact CD2-CG2 4.4Å; L610-V622 HydrophobicContact CD2-CG2 4.08Å; L610-V622 HydrophobicContact CG-CG2 4.33Å; P611-V622 PolarHBondContact O-N 3.27Å; W612-V622 HydrophobicContact CD2-CB 4.12Å; W612-V622 HydrophobicContact CD2-CG1 4.17Å; W612-V622 HydrophobicContact CD2-CG2 4.15Å; W612-V622 HydrophobicContact CE3-CB 4.11Å; W612-V622 HydrophobicContact CE3-CG1 4.08Å; W612-V622 HydrophobicContact CE3-CG2 3.69Å; W612-V622 HydrophobicContact CG-CB 4.43Å; W612-V622 HydrophobicContact CH2-CG1 4.12Å; W612-V622 HydrophobicContact CZ2-CG1 4.22Å; W612-V622 HydrophobicContact CZ3-CG1 4.04Å; W612-V622 HydrophobicContact CZ3-CG2 4.16Å; V622-T624 PolarHBondContact O-N 3.09Å; V622-L625 PolarHBondContact O-N 3.25Å; V622-I626 HydrophobicContact CG1-CG1 4.16Å; V622-I626 WeakPolarHBondContact O-CG1 3.31Å; V622-I626 PolarHBondContact O-N 3.42Å
623	T	86.3	Confident	83.1	Confident	67 Å²	67	91.6 Å²	91.6	41%	0.411	45%	0.451	S	S	.	.	H	α-helix	trans	-58.6	-45.3	176.9	-53.9	0	0	0	0	112.6	S621 I626 Q627	S621-T623 PolarHBondContact O-N 2.98Å; T623-I626 PolarHBondContact O-N 2.96Å; T623-Q627 WeakPolarHBondContact O-CG 3.46Å; T623-Q627 PolarHBondContact O-N 2.72Å; T623-Q627 VanDerWaalsContact O-N 3.13Å
624	T	89.5	Confident	82.4	Confident	62 Å²	62	89.4 Å²	89.4	38%	0.38	44%	0.44	S	S	.	.	H	α-helix	trans	-71	-34.1	179.5	58.2	0	0	0	0	111.9	S621 V622 Y628	S621-T624 PolarHBondContact N-OG1 3.29Å; S621-T624 PolarHBondContact O-N 2.98Å; S621-T624 PolarHBondContact O-OG1 2.96Å; S621-T624 PolarHBondContact OG-N 2.83Å; S621-T624 PolarHBondContact OG-OG1 3.13Å; V622-T624 PolarHBondContact O-N 3.09Å; T624-Y628 PolarHBondContact O-N 2.92Å; T624-Y628 VanDerWaalsContact O-N 3.09Å
625	L	91.1	Very high	81.3	Confident	34 Å²	34	92.9 Å²	92.9	18%	0.178	46%	0.463	C	S	.	.	H	α-helix	trans	-64.9	-44.3	174	178.2	60.4	0	0	0	111.7	L521 L524 L559 L561 L610 S621 V622 Q627 Y628 L629	L521-L625 HydrophobicContact CD1-CD2 4.19Å; L524-L625 HydrophobicContact CD2-CD2 3.8Å; L524-L625 HydrophobicContact CD2-CG 4.28Å; L559-L625 HydrophobicContact CD2-CD2 3.91Å; L561-L625 HydrophobicContact CD2-CD2 4.32Å; L610-L625 HydrophobicContact CD2-CB 4.04Å; L610-L625 HydrophobicContact CD2-CD2 3.73Å; S621-L625 PolarHBondContact O-N 3.36Å; V622-L625 PolarHBondContact O-N 3.25Å; L625-Q627 PolarHBondContact O-N 3.45Å; L625-Y628 WeakPolarHBondContact O-CB 3.26Å; L625-Y628 PolarHBondContact O-N 2.89Å; L625-L629 HydrophobicContact CD1-CD1 4.16Å; L625-L629 HydrophobicContact CD1-CG 4.14Å; L625-L629 HydrophobicContact CG-CD1 4.01Å; L625-L629 HydrophobicContact CG-CG 4.41Å; L625-L629 VanDerWaalsContact O-CG 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.31Å; L625-L629 PolarHBondContact O-N 3.28Å
626	I	90.7	Very high	80.4	Confident	18 Å²	18	93.3 Å²	93.3	9%	0.092	46%	0.458	C	S	.	.	H	α-helix	trans	-58.1	-49.7	176.1	-68.1	-79.3	0	0	0	110.6	L524 V525 V528 V622 T623 Y628 L629 E630	L524-I626 HydrophobicContact CD2-CD1 4.21Å; L524-I626 HydrophobicContact CG-CD1 3.78Å; V525-I626 HydrophobicContact CB-CD1 4.43Å; V525-I626 HydrophobicContact CG2-CD1 4.12Å; V525-I626 HydrophobicContact CG2-CG2 4.47Å; V528-I626 HydrophobicContact CB-CD1 3.97Å; V528-I626 HydrophobicContact CG2-CD1 3.69Å; V528-I626 HydrophobicContact CG2-CG1 4.29Å; V622-I626 HydrophobicContact CG1-CG1 4.16Å; V622-I626 WeakPolarHBondContact O-CG1 3.31Å; V622-I626 PolarHBondContact O-N 3.42Å; T623-I626 PolarHBondContact O-N 2.96Å; I626-Y628 PolarHBondContact O-N 2.92Å; I626-L629 PolarHBondContact O-N 3.49Å; I626-L629 VanDerWaalsContact O-N 3.17Å; I626-E630 HydrophobicContact CG2-CG 4.32Å; I626-E630 WeakPolarHBondContact O-CB 3.39Å; I626-E630 WeakPolarHBondContact O-CG 3.29Å; I626-E630 PolarHBondContact O-N 2.58Å
627	Q	88.4	Confident	78.9	Confident	106 Å²	106	93.1 Å²	93.1	50%	0.495	47%	0.472	S	S	.	.	H	α-helix	trans	-58.5	-38.2	178.6	-72.3	172.4	-8.1	0	0	112.3	T623 L625 K631	T623-Q627 WeakPolarHBondContact O-CG 3.46Å; T623-Q627 PolarHBondContact O-N 2.72Å; T623-Q627 VanDerWaalsContact O-N 3.13Å; L625-Q627 PolarHBondContact O-N 3.45Å; Q627-K631 WeakPolarHBondContact O-CG 2.99Å; Q627-K631 PolarHBondContact O-N 3.25Å
628	Y	89.2	Confident	79.5	Confident	136 Å²	136	88.4 Å²	88.4	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-67.5	-46.3	176.1	-179.5	-99.8	0	0	0	112.2	T624 L625 I626 E630 K631 M632	T624-Y628 PolarHBondContact O-N 2.92Å; T624-Y628 VanDerWaalsContact O-N 3.09Å; L625-Y628 WeakPolarHBondContact O-CB 3.26Å; L625-Y628 PolarHBondContact O-N 2.89Å; I626-Y628 PolarHBondContact O-N 2.92Å; Y628-E630 VanDerWaalsContact C-N 3.32Å; Y628-E630 PolarHBondContact O-N 3.46Å; Y628-K631 PolarHBondContact O-N 3.4Å; Y628-M632 HydrophobicContact CD1-CG 4.31Å; Y628-M632 HydrophobicContact CE1-CE 3.56Å; Y628-M632 HydrophobicContact CE1-CG 4.01Å; Y628-M632 HydrophobicContact CE2-CE 4.15Å; Y628-M632 WeakPolarHBondContact O-CG 3.38Å; Y628-M632 PolarHBondContact O-N 2.93Å; Y628-M632 WeakPolarHBondContact OH-CE 3.19Å
629	L	88.3	Confident	79.7	Confident	28 Å²	28	81.6 Å²	81.6	15%	0.147	43%	0.433	C	S	.	.	H	α-helix	trans	-64.1	-36.6	177.9	-68.9	173.2	0	0	0	112.1	L521 L524 V525 L625 I626 M632 S633	L521-L629 HydrophobicContact CD1-CD1 3.94Å; L521-L629 HydrophobicContact CD2-CD2 4.44Å; L521-L629 HydrophobicContact CG-CD1 4.15Å; L521-L629 HydrophobicContact CG-CD2 4.3Å; L524-L629 HydrophobicContact CB-CD1 4.48Å; L524-L629 HydrophobicContact CD2-CD1 4.13Å; V525-L629 HydrophobicContact CG2-CB 3.78Å; V525-L629 HydrophobicContact CG2-CD1 4.4Å; L625-L629 HydrophobicContact CD1-CD1 4.16Å; L625-L629 HydrophobicContact CD1-CG 4.14Å; L625-L629 HydrophobicContact CG-CD1 4.01Å; L625-L629 HydrophobicContact CG-CG 4.41Å; L625-L629 VanDerWaalsContact O-CG 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.31Å; L625-L629 PolarHBondContact O-N 3.28Å; I626-L629 PolarHBondContact O-N 3.49Å; I626-L629 VanDerWaalsContact O-N 3.17Å; L629-M632 PolarHBondContact O-N 3.48Å; L629-S633 WeakPolarHBondContact O-CB 3.46Å; L629-S633 PolarHBondContact O-N 3.25Å; L629-S633 PolarHBondContact O-OG 3.26Å
630	E	88.2	Confident	79.7	Confident	71 Å²	71	83.8 Å²	83.8	33%	0.332	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-45.1	174.9	-75.6	-177.7	141.2	0	0	111.9	V525 K529 I626 Y628 S633 D634	V525-E630 HydrophobicContact CG1-CG 3.64Å; V525-E630 HydrophobicContact CG2-CG 4.07Å; K529-E630 WeakPolarHBondContact CE-OE1 3.35Å; K529-E630 IonicContact NZ-OE1 3.53Å; K529-E630 PolarHBondContact NZ-OE1 2.7Å; I626-E630 HydrophobicContact CG2-CG 4.32Å; I626-E630 WeakPolarHBondContact O-CB 3.39Å; I626-E630 WeakPolarHBondContact O-CG 3.29Å; I626-E630 PolarHBondContact O-N 2.58Å; Y628-E630 VanDerWaalsContact C-N 3.32Å; Y628-E630 PolarHBondContact O-N 3.46Å; E630-S633 PolarHBondContact O-N 3.24Å; E630-D634 PolarHBondContact O-N 3.26Å
631	K	86	Confident	79.3	Confident	140 Å²	140	83.9 Å²	83.9	61%	0.609	44%	0.437	S	S	*	.	H	α-helix	trans	-61.9	-43.8	175.5	-72.8	178.4	-179.1	-174	0	112.2	Q627 Y628 S633 D634 S637	Q627-K631 WeakPolarHBondContact O-CG 2.99Å; Q627-K631 PolarHBondContact O-N 3.25Å; Y628-K631 PolarHBondContact O-N 3.4Å; K631-S633 PolarHBondContact O-N 2.87Å; K631-D634 PolarHBondContact O-N 2.96Å; K631-S637 VanDerWaalsContact O-CB 3.22Å; K631-S637 WeakPolarHBondContact O-CB 3.41Å
632	M	77.5	Confident	78.6	Confident	126 Å²	126	88.8 Å²	88.8	62%	0.621	46%	0.461	S	S	*	.	H	α-helix	trans	-61.1	-28.9	175.6	-82.2	-96.4	-170.3	0	0	113.6	Y628 L629	Y628-M632 HydrophobicContact CD1-CG 4.31Å; Y628-M632 HydrophobicContact CE1-CE 3.56Å; Y628-M632 HydrophobicContact CE1-CG 4.01Å; Y628-M632 HydrophobicContact CE2-CE 4.15Å; Y628-M632 WeakPolarHBondContact O-CG 3.38Å; Y628-M632 PolarHBondContact O-N 2.93Å; Y628-M632 WeakPolarHBondContact OH-CE 3.19Å; L629-M632 PolarHBondContact O-N 3.48Å
633	S	71.1	Confident	77.7	Confident	91 Å²	91	94.5 Å²	94.5	64%	0.636	49%	0.491	S	S	*	.	H	α-helix	trans	-87.4	-11.1	-178.9	-53.1	0	0	0	0	112.7	L629 E630 K631 P635	L629-S633 WeakPolarHBondContact O-CB 3.46Å; L629-S633 PolarHBondContact O-N 3.25Å; L629-S633 PolarHBondContact O-OG 3.26Å; E630-S633 PolarHBondContact O-N 3.24Å; K631-S633 PolarHBondContact O-N 2.87Å; S633-P635 WeakPolarHBondContact O-CD 3.26Å
634	D	66.7	Low	77.1	Confident	82 Å²	82	96.5 Å²	96.5	44%	0.439	50%	0.497	S	S	.	.			trans	-79.2	114	177.4	-169.4	-14.3	0	0	0	109.2	E630 K631 Y636 S637	E630-D634 PolarHBondContact O-N 3.26Å; K631-D634 PolarHBondContact O-N 2.96Å; D634-Y636 PolarHBondContact O-N 2.92Å; D634-Y636 WeakPolarHBondContact OD1-CD2 3.45Å; D634-Y636 PolarHBondContact OD1-N 3.28Å; D634-Y636 VanDerWaalsContact OD1-N 3.13Å; D634-S637 PolarHBondContact O-N 3.49Å; D634-S637 VanDerWaalsContact O-N 3.12Å
635	P	56.2	Low	76.2	Confident	114 Å²	114	99.2 Å²	99.2	74%	0.74	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-5.2	-179.5	25.4	-33	0	0	0	114.1	S633	S633-P635 WeakPolarHBondContact O-CD 3.26Å
636	Y	54.2	Low	74.9	Confident	211 Å²	211	104.6 Å²	104.6	83%	0.827	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	3.7	178	-57.8	-78.2	0	0	0	114.6	D634	D634-Y636 PolarHBondContact O-N 2.92Å; D634-Y636 WeakPolarHBondContact OD1-CD2 3.45Å; D634-Y636 PolarHBondContact OD1-N 3.28Å; D634-Y636 VanDerWaalsContact OD1-N 3.13Å
637	S	42.9	Very low	73.5	Confident	132 Å²	132	112.5 Å²	112.5	92%	0.923	57%	0.573	S	S	*	*			trans	-86.1	0	178.5	-175.8	0	0	0	0	114.5	K631 D634	K631-S637 VanDerWaalsContact O-CB 3.22Å; K631-S637 WeakPolarHBondContact O-CB 3.41Å; D634-S637 PolarHBondContact O-N 3.49Å; D634-S637 VanDerWaalsContact O-N 3.12Å

Retrieved 637 of 637 residues in 895 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).