A0A096NTP6_PAPAN Loading...

WD repeat domain phosphoinositide-interacting protein 3

Component of the autophagy machinery that controls the major intracellular degradation process by which cytoplasmic materials are packaged into autophagosomes and delivered to lysosomes for degradation. Binds phosphatidylinositol 3-phosphate (PtdIns3P), and other phosphoinositides including PtdIns(3,5)P2, forming on membranes of the endoplasmic reticulum upon activation of the upstream ULK1 and PI3 kinases and is recruited at phagophore assembly sites where it regulates the elongation of nascent phagophores downstream of WIPI2. In the cellular response to starvation, may also function together with the TSC1-TSC2 complex and RB1CC1 in the inhibition of the mTORC1 signaling pathway.

AlphaFold DB (Q5MNZ6), UniProt , Accession A0A096NTP6, Species PAPAN (Papio anubis, Olive baboon), Gene WDR45B, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	94.5	Very high	93.6	Very high	33 Å²	33	63.1 Å²	63.1	16%	0.163	39%	0.39	C	S	.	.				0	123.4	0	173.7	169.1	70.1	0	0	108.9	L3 Y15 A16 P296 I298 A313	M1-L3 HydrophobicContact CE-CD1 4.18Å; M1-L3 HydrophobicContact CE-CD2 4.12Å; M1-L3 HydrophobicContact CE-CG 4.37Å; M1-L3 HydrophobicContact CG-CD2 3.6Å; M1-L3 HydrophobicContact CG-CG 4.05Å; M1-L3 HydrophobicContact SD-CD2 3.78Å; M1-Y15 WeakPolarHBondContact O-CA 3.45Å; M1-Y15 WeakPolarHBondContact O-CD2 3.35Å; M1-A16 PolarHBondContact N-O 3.19Å; M1-A16 PolarHBondContact O-N 3.26Å; M1-P296 HydrophobicContact SD-CB 3.69Å; M1-I298 HydrophobicContact CB-CG2 3.6Å; M1-A313 HydrophobicContact CE-CB 3.64Å; M1-A313 HydrophobicContact SD-CB 4.1Å
2	N	93.7	Very high	93.8	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-103.2	123	176.6	-176.7	-11.4	0	0	0	107.9	L4 Y15	N2-L4 WeakPolarHBondContact OD1-CB 3.34Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.11Å; N2-L4 WeakPolarHBondContact OD1-CG 3.25Å; N2-L4 PolarHBondContact OD1-N 3.21Å; N2-Y15 HydrophobicContact CB-CD2 4.42Å
3	L	95.9	Very high	94.1	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.11	34%	0.341	C	S	.	.			trans	-111.8	13	-177.4	-55.3	174.1	0	0	0	112	M1 C6 N7 L13 L14 A313	M1-L3 HydrophobicContact CE-CD1 4.18Å; M1-L3 HydrophobicContact CE-CD2 4.12Å; M1-L3 HydrophobicContact CE-CG 4.37Å; M1-L3 HydrophobicContact CG-CD2 3.6Å; M1-L3 HydrophobicContact CG-CG 4.05Å; M1-L3 HydrophobicContact SD-CD2 3.78Å; L3-C6 CarbonylContact O-C 3.6Å; L3-C6 PolarHBondContact O-N 3.23Å; L3-C6 VanDerWaalsContact O-O 3.05Å; L3-N7 HydrophobicContact CB-CB 4.22Å; L3-N7 HydrophobicContact CD1-CB 4.13Å; L3-L13 HydrophobicContact CD1-CB 4.33Å; L3-L13 HydrophobicContact CD1-CD2 3.77Å; L3-L13 HydrophobicContact CD1-CG 3.84Å; L3-L14 WeakPolarHBondContact CA-O 3.41Å; L3-L14 WeakPolarHBondContact CB-O 3.2Å; L3-L14 PolarHBondContact N-O 3.06Å; L3-A313 HydrophobicContact CD1-CB 3.82Å; L3-A313 HydrophobicContact CD2-CB 3.81Å; L3-A313 HydrophobicContact CG-CB 4.49Å
4	L	94.2	Very high	94.4	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.356	32%	0.316	S	S	.	.			trans	-62.8	153.2	178	-69	173.7	0	0	0	112.2	N2 L14	N2-L4 WeakPolarHBondContact OD1-CB 3.34Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.11Å; N2-L4 WeakPolarHBondContact OD1-CG 3.25Å; N2-L4 PolarHBondContact OD1-N 3.21Å; L4-L14 HydrophobicContact CD2-CB 4.11Å; L4-L14 HydrophobicContact CD2-CD1 4.3Å; L4-L14 HydrophobicContact CD2-CD2 4.31Å; L4-L14 HydrophobicContact CD2-CG 4.49Å
5	P	90	Very high	94.7	Very high	91 Å²	91	48.3 Å²	48.3	59%	0.591	30%	0.3	S	S	*	.	S	Bend	cis	-81.2	-10.2	-3.2	33.8	-36	0	0	0	113.6	G72	P5-G72 WeakPolarHBondContact O-CA 3.44Å
6	C	88.8	Confident	94.9	Very high	54 Å²	54	45.3 Å²	45.3	37%	0.365	28%	0.281	S	S	.	.			trans	-156	146.3	176.4	60.7	0	0	0	0	111.1	L3	L3-C6 CarbonylContact O-C 3.6Å; L3-C6 PolarHBondContact O-N 3.23Å; L3-C6 VanDerWaalsContact O-O 3.05Å
7	N	94.5	Very high	95.1	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	27%	0.27	C	S	.	.			trans	-84	126.6	174.8	178.1	4.1	0	0	0	111.4	L3 H9 G10 N11 L13 A313	L3-N7 HydrophobicContact CB-CB 4.22Å; L3-N7 HydrophobicContact CD1-CB 4.13Å; N7-H9 PolarHBondContact O-N 3.19Å; N7-H9 VanDerWaalsContact O-N 3.09Å; N7-H9 PolarHBondContact OD1-CD2 2.83Å; N7-H9 VanDerWaalsContact OD1-CD2 3.27Å; N7-H9 PolarHBondContact OD1-N 2.76Å; N7-G10 PolarHBondContact O-N 3.46Å; N7-N11 PolarHBondContact ND2-OD1 3.25Å; N7-L13 WeakPolarHBondContact CB-O 3.41Å; N7-A313 PolarHBondContact ND2-O 2.66Å
8	P	92.3	Very high	95.3	Very high	122 Å²	122	42.2 Å²	42.2	79%	0.792	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.7	179.5	25.3	-36.5	0	0	0	114.1	G10	P8-G10 VanDerWaalsContact C-N 3.27Å; P8-G10 PolarHBondContact O-N 2.79Å
9	H	95	Very high	95.4	Very high	91 Å²	91	40.2 Å²	40.2	42%	0.421	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.2	176.9	-65	-70.5	0	0	0	114.1	N7 N11 S295 D314	N7-H9 PolarHBondContact O-N 3.19Å; N7-H9 VanDerWaalsContact O-N 3.09Å; N7-H9 PolarHBondContact OD1-CD2 2.83Å; N7-H9 VanDerWaalsContact OD1-CD2 3.27Å; N7-H9 PolarHBondContact OD1-N 2.76Å; H9-N11 PolarHBondContact O-N 2.93Å; H9-S295 PolarHBondContact NE2-OG 3.03Å; H9-D314 PolarHBondContact CD2-N 3.32Å
10	G	94.3	Very high	95.4	Very high	71 Å²	71	39.5 Å²	39.5	73%	0.732	24%	0.243	S	C	*	.			trans	67.2	15.5	175.5	0	0	0	0	0	115.3	N7 P8 G12	N7-G10 PolarHBondContact O-N 3.46Å; P8-G10 VanDerWaalsContact C-N 3.27Å; P8-G10 PolarHBondContact O-N 2.79Å; G10-G12 VanDerWaalsContact C-N 3.34Å
11	N	96.1	Very high	95.4	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	25%	0.248	C	C	.	.	S	Bend	trans	-90.6	8.8	-178.7	65.3	14	0	0	0	113.9	N7 H9 L13 A313 D314 G315 L337	N7-N11 PolarHBondContact ND2-OD1 3.25Å; H9-N11 PolarHBondContact O-N 2.93Å; N11-L13 PolarHBondContact O-N 2.82Å; N11-L13 VanDerWaalsContact OD1-CB 3.24Å; N11-L13 WeakPolarHBondContact OD1-CB 3.45Å; N11-L13 PolarHBondContact OD1-N 2.86Å; N11-A313 PolarHBondContact ND2-O 3.1Å; N11-D314 PolarHBondContact ND2-O 2.83Å; N11-G315 PolarHBondContact ND2-N 3.16Å; N11-L337 HydrophobicContact CB-CD1 3.95Å
12	G	96.2	Very high	95.6	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	25%	0.247	C	C	.	.			trans	73.1	-1.3	179.4	0	0	0	0	0	115.9	G10 M29 E30	G10-G12 VanDerWaalsContact C-N 3.34Å; G12-M29 CarbonylContact O-C 3.5Å; G12-M29 VanDerWaalsContact O-CA 3.27Å; G12-M29 WeakPolarHBondContact O-CA 3.38Å; G12-E30 PolarHBondContact O-N 2.77Å
13	L	98	Very high	95.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.4	175.2	-175.6	67.8	0	0	0	110.3	L3 N7 N11 Y15 C27 M29 F336 L337	L3-L13 HydrophobicContact CD1-CB 4.33Å; L3-L13 HydrophobicContact CD1-CD2 3.77Å; L3-L13 HydrophobicContact CD1-CG 3.84Å; N7-L13 WeakPolarHBondContact CB-O 3.41Å; N11-L13 PolarHBondContact O-N 2.82Å; N11-L13 VanDerWaalsContact OD1-CB 3.24Å; N11-L13 WeakPolarHBondContact OD1-CB 3.45Å; N11-L13 PolarHBondContact OD1-N 2.86Å; L13-Y15 VanDerWaalsContact CD1-O 3.26Å; L13-Y15 WeakPolarHBondContact CD1-O 3.42Å; L13-C27 HydrophobicContact CD1-CB 3.59Å; L13-M29 HydrophobicContact CB-CE 4.47Å; L13-M29 HydrophobicContact CB-SD 4.31Å; L13-M29 HydrophobicContact CD1-SD 3.61Å; L13-F336 HydrophobicContact CD2-CZ 4.36Å; L13-L337 HydrophobicContact CB-CD1 4.22Å
14	L	98.1	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-25.6	178	-62.9	179.4	0	0	0	112.7	L3 L4 G28 E30	L3-L14 WeakPolarHBondContact CA-O 3.41Å; L3-L14 WeakPolarHBondContact CB-O 3.2Å; L3-L14 PolarHBondContact N-O 3.06Å; L4-L14 HydrophobicContact CD2-CB 4.11Å; L4-L14 HydrophobicContact CD2-CD1 4.3Å; L4-L14 HydrophobicContact CD2-CD2 4.31Å; L4-L14 HydrophobicContact CD2-CG 4.49Å; L14-G28 PolarHBondContact N-O 2.83Å; L14-E30 HydrophobicContact CD1-CG 4.03Å; L14-E30 HydrophobicContact CD2-CG 3.75Å; L14-E30 HydrophobicContact CG-CG 3.9Å
15	Y	98.4	Very high	96.1	Very high	17 Å²	17	33.2 Å²	33.2	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	146.8	-177.4	175.7	-88.1	0	0	0	110.2	M1 N2 L13 C27 G28 G55 H56 V57	M1-Y15 WeakPolarHBondContact O-CA 3.45Å; M1-Y15 WeakPolarHBondContact O-CD2 3.35Å; N2-Y15 HydrophobicContact CB-CD2 4.42Å; L13-Y15 VanDerWaalsContact CD1-O 3.26Å; L13-Y15 WeakPolarHBondContact CD1-O 3.42Å; Y15-C27 CarbonylContact O-C 3.52Å; Y15-C27 WeakPolarHBondContact O-CA 3.32Å; Y15-G28 PolarHBondContact N-O 3.29Å; Y15-G28 VanDerWaalsContact N-O 3.13Å; Y15-G28 PolarHBondContact O-N 2.78Å; Y15-G55 VanDerWaalsContact CB-O 3.27Å; Y15-G55 WeakPolarHBondContact CB-O 3.33Å; Y15-H56 AromaticContact CD2-ND1 3.75Å; Y15-H56 AromaticContact CE2-CE1 3.54Å; Y15-H56 AromaticContact CE2-ND1 3.25Å; Y15-H56 VanDerWaalsContact CE2-ND1 3.25Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.42Å; Y15-H56 AromaticContact CZ-CE1 3.78Å; Y15-H56 AromaticContact CZ-ND1 3.8Å; Y15-V57 HydrophobicContact CD1-CB 4.39Å; Y15-V57 WeakPolarHBondContact CE1-O 3.33Å
16	A	98.4	Very high	96.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	134.7	166.7	0	0	0	0	0	110.3	M1 A26 I298 I311	M1-A16 PolarHBondContact N-O 3.19Å; M1-A16 PolarHBondContact O-N 3.26Å; A16-A26 CarbonylContact C-O 3.27Å; A16-A26 WeakPolarHBondContact CA-O 3.11Å; A16-I298 HydrophobicContact CB-CD1 4.28Å; A16-I311 HydrophobicContact CB-CG2 4.49Å
17	G	98.2	Very high	96.9	Very high	10 Å²	10	26.3 Å²	26.3	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.9	179.1	0	0	0	0	0	112.2	F25 A26	G17-F25 CarbonylContact O-C 3.52Å; G17-F25 VanDerWaalsContact O-CA 3.24Å; G17-F25 WeakPolarHBondContact O-CA 3.33Å; G17-F25 WeakPolarHBondContact O-CB 3.35Å; G17-A26 PolarHBondContact N-O 3.1Å; G17-A26 PolarHBondContact O-N 3.46Å
18	F	98.4	Very high	97.1	Very high	26 Å²	26	25.8 Å²	25.8	11%	0.114	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	149.8	170.6	-67	-70.6	0	0	0	110.6	H22 C24 F25 T38 I298 C299 A300 I311	F18-H22 HydrophobicContact CD1-CB 4.42Å; F18-C24 WeakPolarHBondContact CA-O 3.07Å; F18-F25 HydrophobicContact CD1-CB 3.82Å; F18-F25 HydrophobicContact CE1-CB 4.17Å; F18-T38 HydrophobicContact CD1-CG2 4.37Å; F18-T38 HydrophobicContact CE1-CG2 3.78Å; F18-I298 HydrophobicContact CD2-CB 4.41Å; F18-I298 HydrophobicContact CD2-CD1 3.69Å; F18-I298 HydrophobicContact CD2-CG1 4.13Å; F18-I298 HydrophobicContact CE2-CB 3.88Å; F18-I298 HydrophobicContact CE2-CD1 3.58Å; F18-I298 HydrophobicContact CE2-CG1 3.52Å; F18-I298 HydrophobicContact CG-CD1 4.34Å; F18-I298 HydrophobicContact CZ-CD1 4.15Å; F18-I298 HydrophobicContact CZ-CG1 4.04Å; F18-C299 VanDerWaalsContact CE2-C 3.48Å; F18-A300 HydrophobicContact CD1-CB 4.13Å; F18-A300 HydrophobicContact CD2-CB 3.85Å; F18-A300 HydrophobicContact CE1-CB 3.85Å; F18-A300 HydrophobicContact CE2-CB 3.54Å; F18-A300 HydrophobicContact CG-CB 4.14Å; F18-A300 HydrophobicContact CZ-CB 3.54Å; F18-I311 HydrophobicContact CE1-CG1 3.98Å; F18-I311 HydrophobicContact CZ-CG1 3.76Å
19	N	97.6	Very high	97.4	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	13%	0.126	C	C	.	.			trans	-72.5	176.4	163.8	76.4	-23.4	0	0	0	110.6	D21 H22 G23 C24 M59 F61	N19-D21 PolarHBondContact ND2-OD1 2.82Å; N19-D21 PolarHBondContact O-N 3.41Å; N19-D21 VanDerWaalsContact O-N 3.13Å; N19-D21 PolarHBondContact OD1-OD1 3.31Å; N19-H22 PolarHBondContact O-N 3.36Å; N19-H22 VanDerWaalsContact OD1-C 3.3Å; N19-H22 WeakPolarHBondContact OD1-CA 3.04Å; N19-H22 PolarHBondContact OD1-N 2.94Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; N19-G23 PolarHBondContact OD1-N 2.7Å; N19-C24 HydrophobicContact CB-CB 4.41Å; N19-C24 PolarHBondContact N-O 3.26Å; N19-C24 PolarHBondContact OD1-N 2.88Å; N19-C24 PolarHBondContact OD1-O 3.08Å; N19-M59 HydrophobicContact CB-CB 3.97Å; N19-M59 HydrophobicContact CB-CE 4.5Å; N19-M59 HydrophobicContact CB-CG 4.48Å; N19-M59 HydrophobicContact CB-SD 3.89Å; N19-F61 PolarHBondContact ND2-O 3Å
20	Q	96.7	Very high	97.5	Very high	25 Å²	25	19.7 Å²	19.7	12%	0.117	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.8	-170	-72.2	83.3	-8.7	0	0	115.1	M59 F61 L107 P149 L195	Q20-M59 PolarHBondContact NE2-O 2.77Å; Q20-M59 PolarHBondContact OE1-O 3.15Å; Q20-F61 HydrophobicContact CB-CD1 3.76Å; Q20-F61 HydrophobicContact CB-CE1 3.51Å; Q20-F61 HydrophobicContact CB-CE2 4.47Å; Q20-F61 HydrophobicContact CB-CG 4.34Å; Q20-F61 HydrophobicContact CB-CZ 3.9Å; Q20-F61 HydrophobicContact CG-CD1 4.4Å; Q20-F61 HydrophobicContact CG-CD2 4.47Å; Q20-F61 HydrophobicContact CG-CE1 4.17Å; Q20-F61 HydrophobicContact CG-CE2 4.25Å; Q20-F61 HydrophobicContact CG-CZ 4.08Å; Q20-F61 VanDerWaalsContact OE1-CA 3.25Å; Q20-L107 PolarHBondContact NE2-O 2.65Å; Q20-L107 VanDerWaalsContact NE2-O 3.12Å; Q20-P149 HydrophobicContact CB-CB 3.79Å; Q20-P149 HydrophobicContact CG-CB 4.16Å; Q20-L195 WeakPolarHBondContact O-CD2 3.24Å
21	D	94.9	Very high	97.6	Very high	68 Å²	68	19.5 Å²	19.5	36%	0.364	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	8.1	-178.8	64.6	2.7	0	0	0	113	N19 G23	N19-D21 PolarHBondContact ND2-OD1 2.82Å; N19-D21 PolarHBondContact O-N 3.41Å; N19-D21 VanDerWaalsContact O-N 3.13Å; N19-D21 PolarHBondContact OD1-OD1 3.31Å; D21-G23 PolarHBondContact O-N 2.96Å; D21-G23 PolarHBondContact OD1-N 2.76Å
22	H	97.4	Very high	97.6	Very high	31 Å²	31	17.4 Å²	17.4	14%	0.144	10%	0.095	C	C	.	.	S	Bend	trans	60.6	6.2	-175.2	-39.7	133.2	0	0	0	115.4	F18 N19 C24 T38 N237 F238 A300	F18-H22 HydrophobicContact CD1-CB 4.42Å; N19-H22 PolarHBondContact O-N 3.36Å; N19-H22 VanDerWaalsContact OD1-C 3.3Å; N19-H22 WeakPolarHBondContact OD1-CA 3.04Å; N19-H22 PolarHBondContact OD1-N 2.94Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; H22-C24 PolarHBondContact O-N 2.89Å; H22-T38 WeakPolarHBondContact O-CB 3.22Å; H22-T38 PolarHBondContact O-OG1 3.19Å; H22-N237 PolarHBondContact NE2-OD1 2.79Å; H22-F238 PolarHBondContact CE1-O 3.16Å; H22-A300 HydrophobicContact CB-CB 3.77Å
23	G	97.3	Very high	97.7	Very high	13 Å²	13	16.9 Å²	16.9	13%	0.134	9%	0.089	C	C	.	.	S	Bend	trans	-68.4	-23.3	179.8	0	0	0	0	0	114.1	N19 D21 N37 T38 R62	N19-G23 PolarHBondContact OD1-N 2.7Å; D21-G23 PolarHBondContact O-N 2.96Å; D21-G23 PolarHBondContact OD1-N 2.76Å; G23-N37 PolarHBondContact O-OD1 3.38Å; G23-T38 VanDerWaalsContact C-OG1 3.28Å; G23-T38 PolarHBondContact O-N 2.98Å; G23-T38 PolarHBondContact O-OG1 3.06Å; G23-R62 PolarHBondContact O-NH2 2.99Å; G23-R62 VanDerWaalsContact O-NH2 3.14Å
24	C	98.3	Very high	97.7	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.041	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.2	173.2	-67.2	0	0	0	0	110.8	F18 N19 H22 V35 Y36 T38 M59	F18-C24 WeakPolarHBondContact CA-O 3.07Å; N19-C24 HydrophobicContact CB-CB 4.41Å; N19-C24 PolarHBondContact N-O 3.26Å; N19-C24 PolarHBondContact OD1-N 2.88Å; N19-C24 PolarHBondContact OD1-O 3.08Å; H22-C24 PolarHBondContact O-N 2.89Å; C24-V35 HydrophobicContact CB-CG1 4.43Å; C24-Y36 CarbonylContact C-O 3.51Å; C24-Y36 WeakPolarHBondContact CA-O 3.12Å; C24-Y36 WeakPolarHBondContact CB-O 3.48Å; C24-T38 VanDerWaalsContact CA-OG1 3.24Å; C24-T38 WeakPolarHBondContact CA-OG1 3.18Å; C24-T38 PolarHBondContact N-OG1 2.62Å; C24-M59 HydrophobicContact CB-CE 3.71Å; C24-M59 HydrophobicContact CB-SD 3.85Å
25	F	98.5	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.4	162.2	64.8	-86.6	0	0	0	110.2	G17 F18 Y36 T38 L41 I311 Y317 F336	G17-F25 CarbonylContact O-C 3.52Å; G17-F25 VanDerWaalsContact O-CA 3.24Å; G17-F25 WeakPolarHBondContact O-CA 3.33Å; G17-F25 WeakPolarHBondContact O-CB 3.35Å; F18-F25 HydrophobicContact CD1-CB 3.82Å; F18-F25 HydrophobicContact CE1-CB 4.17Å; F25-Y36 AromaticContact CD2-CD2 3.92Å; F25-Y36 HydrophobicContact CD2-CD2 3.92Å; F25-Y36 HydrophobicContact CD2-CG 4.44Å; F25-Y36 VanDerWaalsContact CE1-CB 3.41Å; F25-Y36 HydrophobicContact CE1-CG 4.12Å; F25-Y36 AromaticContact CE2-CD2 3.3Å; F25-Y36 HydrophobicContact CE2-CD2 3.3Å; F25-Y36 HydrophobicContact CE2-CE2 4.06Å; F25-Y36 AromaticContact CE2-CG 3.68Å; F25-Y36 HydrophobicContact CE2-CG 3.68Å; F25-Y36 HydrophobicContact CZ-CD1 4.26Å; F25-Y36 AromaticContact CZ-CD2 3.66Å; F25-Y36 HydrophobicContact CZ-CD2 3.66Å; F25-Y36 AromaticContact CZ-CG 3.49Å; F25-Y36 HydrophobicContact CZ-CG 3.49Å; F25-Y36 VanDerWaalsContact CZ-CG 3.49Å; F25-Y36 PolarHBondContact N-O 2.85Å; F25-Y36 PolarHBondContact O-N 2.95Å; F25-T38 HydrophobicContact CD1-CG2 4.42Å; F25-L41 HydrophobicContact CE1-CD1 3.81Å; F25-L41 HydrophobicContact CZ-CD1 3.79Å; F25-I311 HydrophobicContact CD1-CD1 3.96Å; F25-I311 HydrophobicContact CD1-CG1 4.18Å; F25-I311 HydrophobicContact CD2-CG1 4.4Å; F25-I311 HydrophobicContact CD2-CG2 4.05Å; F25-I311 HydrophobicContact CE1-CD1 3.61Å; F25-I311 HydrophobicContact CE1-CG1 4.29Å; F25-I311 HydrophobicContact CE2-CD1 4.27Å; F25-I311 HydrophobicContact CE2-CG1 4.49Å; F25-I311 HydrophobicContact CE2-CG2 3.88Å; F25-I311 HydrophobicContact CG-CD1 4.44Å; F25-I311 HydrophobicContact CG-CG1 4.24Å; F25-I311 HydrophobicContact CZ-CD1 3.77Å; F25-I311 HydrophobicContact CZ-CG1 4.44Å; F25-I311 HydrophobicContact CZ-CG2 4.4Å; F25-Y317 HydrophobicContact CE1-CD2 4.5Å; F25-F336 HydrophobicContact CE2-CD2 4.01Å; F25-F336 AromaticContact CE2-CE2 3.99Å; F25-F336 HydrophobicContact CE2-CE2 3.99Å; F25-F336 HydrophobicContact CE2-CG 4.42Å; F25-F336 HydrophobicContact CE2-CZ 4.38Å; F25-F336 HydrophobicContact CZ-CD2 4.25Å; F25-F336 HydrophobicContact CZ-CG 4.3Å
26	A	98.5	Very high	97.7	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.6	177.3	0	0	0	0	0	110.8	A16 G17 R34 V35 V57 M59	A16-A26 CarbonylContact C-O 3.27Å; A16-A26 WeakPolarHBondContact CA-O 3.11Å; G17-A26 PolarHBondContact N-O 3.1Å; G17-A26 PolarHBondContact O-N 3.46Å; A26-R34 CarbonylContact C-O 3.55Å; A26-R34 WeakPolarHBondContact CA-O 3.31Å; A26-V35 HydrophobicContact CB-CG2 4.28Å; A26-V57 HydrophobicContact CB-CB 4.06Å; A26-V57 HydrophobicContact CB-CG1 3.62Å; A26-M59 HydrophobicContact CB-CG 3.74Å; A26-M59 HydrophobicContact CB-SD 3.82Å
27	C	98.5	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.3	-178.8	-65.4	0	0	0	0	109.7	L13 Y15 M29 F33 R34	L13-C27 HydrophobicContact CD1-CB 3.59Å; Y15-C27 CarbonylContact O-C 3.52Å; Y15-C27 WeakPolarHBondContact O-CA 3.32Å; C27-M29 HydrophobicContact CB-SD 4.03Å; C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.37Å; C27-F33 VanDerWaalsContact O-CB 3.28Å; C27-F33 WeakPolarHBondContact O-CB 3.3Å; C27-R34 HydrophobicContact CB-CB 4.37Å; C27-R34 PolarHBondContact N-O 3.06Å; C27-R34 PolarHBondContact O-N 2.79Å
28	G	98.4	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.4	164.4	0	0	0	0	0	109.2	L14 Y15 V54	L14-G28 PolarHBondContact N-O 2.83Å; Y15-G28 PolarHBondContact N-O 3.29Å; Y15-G28 VanDerWaalsContact N-O 3.13Å; Y15-G28 PolarHBondContact O-N 2.78Å; G28-V54 CarbonylContact C-O 3.52Å; G28-V54 VanDerWaalsContact C-O 3.23Å; G28-V54 WeakPolarHBondContact CA-O 3.48Å
29	M	97.9	Very high	97.6	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.02	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.7	-174.6	-53.5	-62.7	-65.7	0	0	110.8	G12 L13 C27 N31 G32 R34 G53 V54 L337	G12-M29 CarbonylContact O-C 3.5Å; G12-M29 VanDerWaalsContact O-CA 3.27Å; G12-M29 WeakPolarHBondContact O-CA 3.38Å; L13-M29 HydrophobicContact CB-CE 4.47Å; L13-M29 HydrophobicContact CB-SD 4.31Å; L13-M29 HydrophobicContact CD1-SD 3.61Å; C27-M29 HydrophobicContact CB-SD 4.03Å; M29-N31 PolarHBondContact O-N 3.15Å; M29-N31 VanDerWaalsContact O-N 3.12Å; M29-G32 WeakPolarHBondContact CA-O 3.39Å; M29-G32 WeakPolarHBondContact CB-O 3.45Å; M29-G32 PolarHBondContact N-O 2.89Å; M29-G32 PolarHBondContact O-N 2.97Å; M29-R34 HydrophobicContact CG-CG 4.15Å; M29-G53 CarbonylContact O-C 3.53Å; M29-G53 WeakPolarHBondContact O-CA 3.47Å; M29-V54 PolarHBondContact N-O 3Å; M29-V54 PolarHBondContact O-N 2.81Å; M29-L337 HydrophobicContact CE-CD2 3.73Å; M29-L337 HydrophobicContact SD-CD2 4.04Å
30	E	97.1	Very high	97.6	Very high	81 Å²	81	22.6 Å²	22.6	38%	0.379	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	173	-75	-171	158.8	0	0	113.7	G12 L14 G52 G53	G12-E30 PolarHBondContact O-N 2.77Å; L14-E30 HydrophobicContact CD1-CG 4.03Å; L14-E30 HydrophobicContact CD2-CG 3.75Å; L14-E30 HydrophobicContact CG-CG 3.9Å; E30-G52 CarbonylContact O-C 3.53Å; E30-G52 VanDerWaalsContact O-C 3.28Å; E30-G53 VanDerWaalsContact C-CA 3.47Å; E30-G53 WeakPolarHBondContact O-CA 3.35Å; E30-G53 PolarHBondContact O-N 3.12Å; E30-G53 VanDerWaalsContact O-N 3.14Å
31	N	96.1	Very high	97.6	Very high	67 Å²	67	22 Å²	22	36%	0.358	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	26.6	-178.6	69.4	-22	0	0	0	113.1	M29 E48 F49	M29-N31 PolarHBondContact O-N 3.15Å; M29-N31 VanDerWaalsContact O-N 3.12Å; N31-E48 CarbonylContact O-C 3.1Å; N31-E48 VanDerWaalsContact O-CA 3.3Å; N31-E48 WeakPolarHBondContact O-CA 3.49Å; N31-F49 PolarHBondContact O-N 2.88Å
32	G	97.2	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.4	-138.6	178.2	0	0	0	0	0	113.6	M29 Q47 V54	M29-G32 WeakPolarHBondContact CA-O 3.39Å; M29-G32 WeakPolarHBondContact CB-O 3.45Å; M29-G32 PolarHBondContact N-O 2.89Å; M29-G32 PolarHBondContact O-N 2.97Å; G32-Q47 WeakPolarHBondContact CA-O 3.49Å; G32-V54 WeakPolarHBondContact O-CB 3.19Å
33	F	97.8	Very high	97.6	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.4	177.3	69.4	-96.5	0	0	0	112.2	C27 V35 Q47 F49 V57 L66 L68 W85	C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.37Å; C27-F33 VanDerWaalsContact O-CB 3.28Å; C27-F33 WeakPolarHBondContact O-CB 3.3Å; F33-V35 HydrophobicContact CD2-CG2 4.27Å; F33-V35 HydrophobicContact CE2-CG2 4.37Å; F33-Q47 HydrophobicContact CD1-CB 3.91Å; F33-Q47 HydrophobicContact CD1-CG 4.28Å; F33-Q47 HydrophobicContact CD2-CB 4.32Å; F33-Q47 HydrophobicContact CE1-CB 3.44Å; F33-Q47 VanDerWaalsContact CE1-CB 3.44Å; F33-Q47 HydrophobicContact CE1-CG 3.65Å; F33-Q47 HydrophobicContact CE2-CB 3.88Å; F33-Q47 HydrophobicContact CG-CB 4.32Å; F33-Q47 HydrophobicContact CZ-CB 3.41Å; F33-Q47 VanDerWaalsContact CZ-CB 3.41Å; F33-Q47 HydrophobicContact CZ-CG 3.98Å; F33-Q47 PolarHBondContact N-O 2.8Å; F33-Q47 PolarHBondContact O-N 3.19Å; F33-F49 HydrophobicContact CD1-CE2 4.06Å; F33-F49 HydrophobicContact CD1-CZ 4.21Å; F33-F49 HydrophobicContact CE1-CE2 4.3Å; F33-F49 AromaticContact CE1-CZ 3.98Å; F33-F49 HydrophobicContact CE1-CZ 3.98Å; F33-V57 HydrophobicContact CB-CG2 3.92Å; F33-L66 HydrophobicContact CD2-CD2 4.39Å; F33-L66 HydrophobicContact CE2-CD1 4.36Å; F33-L66 HydrophobicContact CE2-CD2 4.18Å; F33-L66 HydrophobicContact CZ-CD1 4.4Å; F33-L68 HydrophobicContact CD1-CD1 4.11Å; F33-L68 HydrophobicContact CD1-CD2 4.06Å; F33-L68 HydrophobicContact CE1-CD1 4.04Å; F33-L68 HydrophobicContact CE1-CD2 4.37Å; F33-W85 HydrophobicContact CE1-CD2 4.43Å; F33-W85 HydrophobicContact CE1-CG 4.32Å; F33-W85 AromaticContact CE1-NE1 3.95Å; F33-W85 AromaticContact CZ-CD1 3.7Å; F33-W85 HydrophobicContact CZ-CG 4.39Å; F33-W85 AromaticContact CZ-NE1 3.54Å
34	R	97.8	Very high	97.5	Very high	33 Å²	33	28.9 Å²	28.9	13%	0.125	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.7	174.7	-55.7	-169.9	-174.6	-169.4	13.4	110.6	A26 C27 M29 Y36 E43 E45 K46 L337	A26-R34 CarbonylContact C-O 3.55Å; A26-R34 WeakPolarHBondContact CA-O 3.31Å; C27-R34 HydrophobicContact CB-CB 4.37Å; C27-R34 PolarHBondContact N-O 3.06Å; C27-R34 PolarHBondContact O-N 2.79Å; M29-R34 HydrophobicContact CG-CG 4.15Å; R34-Y36 HydrophobicContact CB-CD2 4.47Å; R34-Y36 HydrophobicContact CB-CE2 3.6Å; R34-Y36 WeakPolarHBondContact CD-OH 3.33Å; R34-Y36 PolarHBondContact NH1-OH 2.95Å; R34-E43 WeakPolarHBondContact CD-OE2 3.49Å; R34-E43 IonicContact NH1-OE2 3.45Å; R34-E43 PolarHBondContact NH1-OE2 2.8Å; R34-E43 VanDerWaalsContact NH1-OE2 3.12Å; R34-E45 CarbonylContact C-O 3.54Å; R34-E45 WeakPolarHBondContact CA-O 3.42Å; R34-K46 HydrophobicContact CG-CB 4.5Å; R34-K46 HydrophobicContact CG-CG 4.15Å; R34-L337 PolarHBondContact NH1-O 3.27Å
35	V	98	Very high	97.3	Very high	8 Å²	8	32 Å²	32	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.9	175.5	-180	0	0	0	0	108.6	C24 A26 F33 K44 E45 M59 L66	C24-V35 HydrophobicContact CB-CG1 4.43Å; A26-V35 HydrophobicContact CB-CG2 4.28Å; F33-V35 HydrophobicContact CD2-CG2 4.27Å; F33-V35 HydrophobicContact CE2-CG2 4.37Å; V35-K44 HydrophobicContact CG1-CB 4.36Å; V35-K44 WeakPolarHBondContact O-CA 3.4Å; V35-K44 WeakPolarHBondContact O-CB 3.29Å; V35-K44 PolarHBondContact O-N 3.25Å; V35-E45 HydrophobicContact CB-CB 4.22Å; V35-E45 PolarHBondContact N-O 2.76Å; V35-E45 PolarHBondContact O-N 2.89Å; V35-M59 HydrophobicContact CG1-CE 3.47Å; V35-M59 VanDerWaalsContact CG1-CE 3.47Å; V35-M59 HydrophobicContact CG1-SD 3.83Å; V35-L66 HydrophobicContact CG2-CD2 3.87Å
36	Y	98.1	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.2	179.9	-61	-93.8	0	0	0	110.3	C24 F25 R34 L41 K42 E43 F336	C24-Y36 CarbonylContact C-O 3.51Å; C24-Y36 WeakPolarHBondContact CA-O 3.12Å; C24-Y36 WeakPolarHBondContact CB-O 3.48Å; F25-Y36 AromaticContact CD2-CD2 3.92Å; F25-Y36 HydrophobicContact CD2-CD2 3.92Å; F25-Y36 HydrophobicContact CD2-CG 4.44Å; F25-Y36 VanDerWaalsContact CE1-CB 3.41Å; F25-Y36 HydrophobicContact CE1-CG 4.12Å; F25-Y36 AromaticContact CE2-CD2 3.3Å; F25-Y36 HydrophobicContact CE2-CD2 3.3Å; F25-Y36 HydrophobicContact CE2-CE2 4.06Å; F25-Y36 AromaticContact CE2-CG 3.68Å; F25-Y36 HydrophobicContact CE2-CG 3.68Å; F25-Y36 HydrophobicContact CZ-CD1 4.26Å; F25-Y36 AromaticContact CZ-CD2 3.66Å; F25-Y36 HydrophobicContact CZ-CD2 3.66Å; F25-Y36 AromaticContact CZ-CG 3.49Å; F25-Y36 HydrophobicContact CZ-CG 3.49Å; F25-Y36 VanDerWaalsContact CZ-CG 3.49Å; F25-Y36 PolarHBondContact N-O 2.85Å; F25-Y36 PolarHBondContact O-N 2.95Å; R34-Y36 HydrophobicContact CB-CD2 4.47Å; R34-Y36 HydrophobicContact CB-CE2 3.6Å; R34-Y36 WeakPolarHBondContact CD-OH 3.33Å; R34-Y36 PolarHBondContact NH1-OH 2.95Å; Y36-L41 HydrophobicContact CD1-CD1 4.25Å; Y36-K42 CarbonylContact C-O 3.51Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.36Å; Y36-E43 VanDerWaalsContact CD1-CA 3.5Å; Y36-E43 HydrophobicContact CD1-CB 3.82Å; Y36-E43 HydrophobicContact CD1-CG 4.05Å; Y36-E43 HydrophobicContact CE1-CB 3.59Å; Y36-E43 HydrophobicContact CE1-CG 3.57Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.31Å; Y36-E43 WeakPolarHBondContact CE1-OE2 2.95Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.22Å; Y36-E43 PolarHBondContact OH-OE2 2.92Å; Y36-F336 HydrophobicContact CD2-CD2 4.31Å; Y36-F336 HydrophobicContact CE1-CB 4.47Å; Y36-F336 HydrophobicContact CE1-CD2 4.13Å; Y36-F336 WeakPolarHBondContact CE1-O 3.41Å; Y36-F336 AromaticContact CE2-CD2 3.75Å; Y36-F336 HydrophobicContact CE2-CD2 3.75Å; Y36-F336 HydrophobicContact CE2-CE2 4.04Å; Y36-F336 AromaticContact CZ-CD2 3.67Å; Y36-F336 PolarHBondContact OH-O 3.14Å
37	N	97.9	Very high	97.1	Very high	21 Å²	21	38 Å²	38	11%	0.112	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	134.3	157	-170.1	78	0	0	0	108.1	G23 D39 P40 L41 K42 K44 R62	G23-N37 PolarHBondContact O-OD1 3.38Å; N37-D39 PolarHBondContact ND2-N 2.78Å; N37-D39 PolarHBondContact ND2-O 3.32Å; N37-D39 VanDerWaalsContact ND2-O 3.13Å; N37-P40 PolarHBondContact ND2-O 2.88Å; N37-L41 WeakPolarHBondContact O-CA 3.45Å; N37-K42 HydrophobicContact CB-CB 4.32Å; N37-K42 PolarHBondContact N-O 2.7Å; N37-K42 PolarHBondContact O-N 3.29Å; N37-K44 HydrophobicContact CB-CG 4.17Å; N37-R62 PolarHBondContact OD1-NH1 2.84Å; N37-R62 PolarHBondContact OD1-NH2 2.82Å
38	T	98.1	Very high	97	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-49.1	-173.9	-54.8	0	0	0	0	111.6	F18 H22 G23 C24 F25 I309 Y317	F18-T38 HydrophobicContact CD1-CG2 4.37Å; F18-T38 HydrophobicContact CE1-CG2 3.78Å; H22-T38 WeakPolarHBondContact O-CB 3.22Å; H22-T38 PolarHBondContact O-OG1 3.19Å; G23-T38 VanDerWaalsContact C-OG1 3.28Å; G23-T38 PolarHBondContact O-N 2.98Å; G23-T38 PolarHBondContact O-OG1 3.06Å; C24-T38 VanDerWaalsContact CA-OG1 3.24Å; C24-T38 WeakPolarHBondContact CA-OG1 3.18Å; C24-T38 PolarHBondContact N-OG1 2.62Å; F25-T38 HydrophobicContact CD1-CG2 4.42Å; T38-I309 HydrophobicContact CG2-CB 4.41Å; T38-I309 HydrophobicContact CG2-CD1 3.63Å; T38-I309 HydrophobicContact CG2-CG2 4.02Å; T38-Y317 VanDerWaalsContact O-CE2 3.3Å; T38-Y317 WeakPolarHBondContact O-CE2 3.45Å; T38-Y317 PolarHBondContact O-OH 3.32Å
39	D	97.9	Very high	96.9	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	114.8	-176.4	-168.4	22.3	0	0	0	109.7	N37 T303 I309 K319	N37-D39 PolarHBondContact ND2-N 2.78Å; N37-D39 PolarHBondContact ND2-O 3.32Å; N37-D39 VanDerWaalsContact ND2-O 3.13Å; D39-T303 HydrophobicContact CB-CG2 4.07Å; D39-T303 WeakPolarHBondContact O-CG2 3.46Å; D39-T303 PolarHBondContact OD2-N 2.75Å; D39-T303 PolarHBondContact OD2-OG1 2.73Å; D39-I309 HydrophobicContact CB-CD1 3.57Å; D39-K319 IonicContact OD1-NZ 3.82Å; D39-K319 PolarHBondContact OD1-NZ 2.89Å; D39-K319 IonicContact OD2-NZ 3.51Å
40	P	96.8	Very high	96.5	Very high	95 Å²	95	52 Å²	52	62%	0.617	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-66.3	148	-5.6	30	-35.8	0	0	0	112.2	N37 K42	N37-P40 PolarHBondContact ND2-O 2.88Å; P40-K42 PolarHBondContact O-N 2.82Å
41	L	97.8	Very high	96.3	Very high	11 Å²	11	54 Å²	54	6%	0.058	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	122.8	177.9	177.5	65.8	0	0	0	110.8	F25 Y36 N37 Y317 A334 F336 M339	F25-L41 HydrophobicContact CE1-CD1 3.81Å; F25-L41 HydrophobicContact CZ-CD1 3.79Å; Y36-L41 HydrophobicContact CD1-CD1 4.25Å; N37-L41 WeakPolarHBondContact O-CA 3.45Å; L41-Y317 HydrophobicContact CB-CD1 4.46Å; L41-Y317 HydrophobicContact CB-CD2 4.3Å; L41-Y317 HydrophobicContact CB-CE1 4.19Å; L41-Y317 HydrophobicContact CB-CE2 4.02Å; L41-Y317 HydrophobicContact CD1-CD2 3.7Å; L41-Y317 HydrophobicContact CD1-CE2 3.97Å; L41-Y317 HydrophobicContact CD1-CG 4.3Å; L41-Y317 HydrophobicContact CD2-CD1 3.85Å; L41-Y317 HydrophobicContact CD2-CD2 3.88Å; L41-Y317 HydrophobicContact CD2-CE1 4.4Å; L41-Y317 HydrophobicContact CD2-CE2 4.43Å; L41-Y317 HydrophobicContact CD2-CG 3.59Å; L41-Y317 HydrophobicContact CG-CD2 4.16Å; L41-Y317 HydrophobicContact CG-CE2 4.36Å; L41-Y317 HydrophobicContact CG-CG 4.36Å; L41-A334 HydrophobicContact CD2-CB 3.61Å; L41-F336 HydrophobicContact CD1-CB 4.23Å; L41-F336 HydrophobicContact CD2-CB 4.03Å; L41-M339 HydrophobicContact CD1-SD 4.42Å; L41-M339 HydrophobicContact CD2-CE 4.24Å; L41-M339 HydrophobicContact CD2-SD 3.38Å; L41-M339 WeakPolarHBondContact CD2-SD 3.4Å; L41-M339 HydrophobicContact CG-CE 4.13Å; L41-M339 HydrophobicContact CG-SD 3.67Å
42	K	96.5	Very high	96.2	Very high	124 Å²	124	51.1 Å²	51.1	54%	0.539	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	131	175.4	179.6	166.2	-176.7	162.4	0	111.1	Y36 N37 P40 K44	Y36-K42 CarbonylContact C-O 3.51Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.36Å; N37-K42 HydrophobicContact CB-CB 4.32Å; N37-K42 PolarHBondContact N-O 2.7Å; N37-K42 PolarHBondContact O-N 3.29Å; P40-K42 PolarHBondContact O-N 2.82Å; K42-K44 PolarHBondContact O-N 3.35Å
43	E	95.9	Very high	96.3	Very high	31 Å²	31	51.1 Å²	51.1	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	124.8	170.4	-163.2	167.7	101.3	0	0	108.7	R34 Y36	R34-E43 WeakPolarHBondContact CD-OE2 3.49Å; R34-E43 IonicContact NH1-OE2 3.45Å; R34-E43 PolarHBondContact NH1-OE2 2.8Å; R34-E43 VanDerWaalsContact NH1-OE2 3.12Å; Y36-E43 VanDerWaalsContact CD1-CA 3.5Å; Y36-E43 HydrophobicContact CD1-CB 3.82Å; Y36-E43 HydrophobicContact CD1-CG 4.05Å; Y36-E43 HydrophobicContact CE1-CB 3.59Å; Y36-E43 HydrophobicContact CE1-CG 3.57Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.31Å; Y36-E43 WeakPolarHBondContact CE1-OE2 2.95Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.22Å; Y36-E43 PolarHBondContact OH-OE2 2.92Å
44	K	94.7	Very high	96.3	Very high	103 Å²	103	51 Å²	51	45%	0.448	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-44.6	-173.8	-91.2	-54.3	-41.8	158.8	0	111.5	V35 N37 K42	V35-K44 HydrophobicContact CG1-CB 4.36Å; V35-K44 WeakPolarHBondContact O-CA 3.4Å; V35-K44 WeakPolarHBondContact O-CB 3.29Å; V35-K44 PolarHBondContact O-N 3.25Å; N37-K44 HydrophobicContact CB-CG 4.17Å; K42-K44 PolarHBondContact O-N 3.35Å
45	E	94.9	Very high	96.3	Very high	71 Å²	71	49.6 Å²	49.6	33%	0.332	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.5	179.9	-67.1	-61.1	147.5	0	0	109.5	R34 V35 K90	R34-E45 CarbonylContact C-O 3.54Å; R34-E45 WeakPolarHBondContact CA-O 3.42Å; V35-E45 HydrophobicContact CB-CB 4.22Å; V35-E45 PolarHBondContact N-O 2.76Å; V35-E45 PolarHBondContact O-N 2.89Å; E45-K90 IonicContact OE2-NZ 2.76Å; E45-K90 PolarHBondContact OE2-NZ 3.01Å; E45-K90 VanDerWaalsContact OE2-NZ 3.16Å
46	K	95.6	Very high	96.3	Very high	88 Å²	88	49.8 Å²	49.8	38%	0.383	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	118.7	172.6	178	177.5	178.8	-154.8	0	108.2	R34 E48	R34-K46 HydrophobicContact CG-CB 4.5Å; R34-K46 HydrophobicContact CG-CG 4.15Å; K46-E48 WeakPolarHBondContact CE-OE1 3.41Å; K46-E48 HydrophobicContact CG-CG 4.44Å; K46-E48 IonicContact NZ-OE1 2.85Å; K46-E48 PolarHBondContact NZ-OE1 2.83Å
47	Q	96.7	Very high	96.3	Very high	40 Å²	40	49.9 Å²	49.9	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.7	175.9	-179.6	59.8	59.5	0	0	109	G32 F33 F49 W85	G32-Q47 WeakPolarHBondContact CA-O 3.49Å; F33-Q47 HydrophobicContact CD1-CB 3.91Å; F33-Q47 HydrophobicContact CD1-CG 4.28Å; F33-Q47 HydrophobicContact CD2-CB 4.32Å; F33-Q47 HydrophobicContact CE1-CB 3.44Å; F33-Q47 VanDerWaalsContact CE1-CB 3.44Å; F33-Q47 HydrophobicContact CE1-CG 3.65Å; F33-Q47 HydrophobicContact CE2-CB 3.88Å; F33-Q47 HydrophobicContact CG-CB 4.32Å; F33-Q47 HydrophobicContact CZ-CB 3.41Å; F33-Q47 VanDerWaalsContact CZ-CB 3.41Å; F33-Q47 HydrophobicContact CZ-CG 3.98Å; F33-Q47 PolarHBondContact N-O 2.8Å; F33-Q47 PolarHBondContact O-N 3.19Å; Q47-F49 HydrophobicContact CG-CD1 4.11Å; Q47-F49 HydrophobicContact CG-CE1 3.38Å; Q47-F49 HydrophobicContact CG-CE2 4.45Å; Q47-F49 HydrophobicContact CG-CZ 3.58Å; Q47-W85 HydrophobicContact CG-CH2 4.39Å; Q47-W85 HydrophobicContact CG-CZ2 3.89Å
48	E	95.9	Very high	96.4	Very high	99 Å²	99	49.4 Å²	49.4	46%	0.463	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.6	176	-64.8	-174.1	161.4	0	0	110.9	N31 K46	N31-E48 CarbonylContact O-C 3.1Å; N31-E48 VanDerWaalsContact O-CA 3.3Å; N31-E48 WeakPolarHBondContact O-CA 3.49Å; K46-E48 WeakPolarHBondContact CE-OE1 3.41Å; K46-E48 HydrophobicContact CG-CG 4.44Å; K46-E48 IonicContact NZ-OE1 2.85Å; K46-E48 PolarHBondContact NZ-OE1 2.83Å
49	F	95.6	Very high	96.4	Very high	21 Å²	21	50 Å²	50	9%	0.092	25%	0.245	C	C	.	.			trans	-124.7	119.7	173.8	-60.5	-38.4	0	0	0	109.1	N31 F33 Q47 E51 V54 L68 K76 W85	N31-F49 PolarHBondContact O-N 2.88Å; F33-F49 HydrophobicContact CD1-CE2 4.06Å; F33-F49 HydrophobicContact CD1-CZ 4.21Å; F33-F49 HydrophobicContact CE1-CE2 4.3Å; F33-F49 AromaticContact CE1-CZ 3.98Å; F33-F49 HydrophobicContact CE1-CZ 3.98Å; Q47-F49 HydrophobicContact CG-CD1 4.11Å; Q47-F49 HydrophobicContact CG-CE1 3.38Å; Q47-F49 HydrophobicContact CG-CE2 4.45Å; Q47-F49 HydrophobicContact CG-CZ 3.58Å; F49-E51 PolarHBondContact O-N 3.02Å; F49-V54 HydrophobicContact CD2-CG2 3.94Å; F49-V54 HydrophobicContact CE2-CG2 3.84Å; F49-L68 HydrophobicContact CE2-CD1 4.28Å; F49-L68 HydrophobicContact CZ-CD1 4.41Å; F49-K76 HydrophobicContact CB-CD 4.11Å; F49-K76 HydrophobicContact CB-CG 4.46Å; F49-K76 HydrophobicContact CD2-CB 4.4Å; F49-K76 HydrophobicContact CD2-CD 4.41Å; F49-K76 HydrophobicContact CD2-CG 3.93Å; F49-K76 HydrophobicContact CG-CD 4.28Å; F49-K76 HydrophobicContact CG-CG 4.3Å; F49-W85 AromaticContact CE1-CH2 3.86Å; F49-W85 HydrophobicContact CE1-CH2 3.86Å; F49-W85 HydrophobicContact CE1-CZ2 4.44Å; F49-W85 HydrophobicContact CE1-CZ3 4.03Å; F49-W85 HydrophobicContact CZ-CE3 4.32Å; F49-W85 HydrophobicContact CZ-CH2 4.15Å; F49-W85 HydrophobicContact CZ-CZ3 4.04Å
50	L	91	Very high	96.3	Very high	178 Å²	178	49.4 Å²	49.4	93%	0.932	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.4	176.9	-60.8	176.2	0	0	0	112.9
51	E	92	Very high	96.2	Very high	122 Å²	122	46.7 Å²	46.7	57%	0.57	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-15	-167.8	-67.9	168.1	-161.8	0	0	113.9	F49 K74 K76	F49-E51 PolarHBondContact O-N 3.02Å; E51-K74 WeakPolarHBondContact O-CE 3.21Å; E51-K76 HydrophobicContact CB-CD 3.61Å; E51-K76 WeakPolarHBondContact OE2-CE 3.41Å; E51-K76 IonicContact OE2-NZ 3.82Å; E51-K76 PolarHBondContact OE2-NZ 3.46Å
52	G	95	Very high	96.1	Very high	6 Å²	6	52.8 Å²	52.8	6%	0.062	24%	0.243	C	C	.	.			trans	155.9	-174	176.9	0	0	0	0	0	115.7	E30 K74	E30-G52 CarbonylContact O-C 3.53Å; E30-G52 VanDerWaalsContact O-C 3.28Å; G52-K74 CarbonylContact C-O 3.56Å; G52-K74 WeakPolarHBondContact CA-O 3.13Å
53	G	97.7	Very high	96	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-92.2	160.4	-173.1	0	0	0	0	0	115.3	M29 E30 G71 K74 K76	M29-G53 CarbonylContact O-C 3.53Å; M29-G53 WeakPolarHBondContact O-CA 3.47Å; E30-G53 VanDerWaalsContact C-CA 3.47Å; E30-G53 WeakPolarHBondContact O-CA 3.35Å; E30-G53 PolarHBondContact O-N 3.12Å; E30-G53 VanDerWaalsContact O-N 3.14Å; G53-G71 CarbonylContact C-O 3.51Å; G53-G71 VanDerWaalsContact C-O 3.27Å; G53-G71 WeakPolarHBondContact CA-O 3.08Å; G53-G71 PolarHBondContact O-N 2.82Å; G53-K74 PolarHBondContact N-O 3.2Å; G53-K76 PolarHBondContact O-N 3.19Å
54	V	98.3	Very high	96	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.9	173.3	-176.5	0	0	0	0	108.3	G28 M29 G32 F49 H56 V57 L68 V69	G28-V54 CarbonylContact C-O 3.52Å; G28-V54 VanDerWaalsContact C-O 3.23Å; G28-V54 WeakPolarHBondContact CA-O 3.48Å; M29-V54 PolarHBondContact N-O 3Å; M29-V54 PolarHBondContact O-N 2.81Å; G32-V54 WeakPolarHBondContact O-CB 3.19Å; F49-V54 HydrophobicContact CD2-CG2 3.94Å; F49-V54 HydrophobicContact CE2-CG2 3.84Å; V54-H56 VanDerWaalsContact CG1-O 3.28Å; V54-H56 WeakPolarHBondContact CG1-O 3.36Å; V54-V57 HydrophobicContact CB-CG2 4.49Å; V54-V57 HydrophobicContact CG1-CG2 3.6Å; V54-L68 HydrophobicContact CG1-CB 4.06Å; V54-L68 HydrophobicContact CG1-CD2 4.16Å; V54-V69 WeakPolarHBondContact CG1-O 3.28Å
55	G	97.8	Very high	96.2	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-11.9	-175.5	0	0	0	0	0	114.8	Y15 V69	Y15-G55 VanDerWaalsContact CB-O 3.27Å; Y15-G55 WeakPolarHBondContact CB-O 3.33Å; G55-V69 PolarHBondContact N-O 3.07Å
56	H	98.4	Very high	96.3	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.06	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	135.8	173.9	-163.2	90.1	0	0	0	109.6	Y15 V54 L68 V69 V105	Y15-H56 AromaticContact CD2-ND1 3.75Å; Y15-H56 AromaticContact CE2-CE1 3.54Å; Y15-H56 AromaticContact CE2-ND1 3.25Å; Y15-H56 VanDerWaalsContact CE2-ND1 3.25Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.42Å; Y15-H56 AromaticContact CZ-CE1 3.78Å; Y15-H56 AromaticContact CZ-ND1 3.8Å; V54-H56 VanDerWaalsContact CG1-O 3.28Å; V54-H56 WeakPolarHBondContact CG1-O 3.36Å; H56-L68 WeakPolarHBondContact O-CA 3.49Å; H56-V69 HydrophobicContact CB-CB 3.9Å; H56-V69 HydrophobicContact CB-CG2 4.18Å; H56-V69 PolarHBondContact N-O 2.89Å; H56-V69 PolarHBondContact O-N 2.85Å; H56-V105 PolarHBondContact NE2-N 3Å
57	V	98.5	Very high	96.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.3	176.4	-173.5	0	0	0	0	108.4	Y15 A26 F33 V54 L66 A67 L68	Y15-V57 HydrophobicContact CD1-CB 4.39Å; Y15-V57 WeakPolarHBondContact CE1-O 3.33Å; A26-V57 HydrophobicContact CB-CB 4.06Å; A26-V57 HydrophobicContact CB-CG1 3.62Å; F33-V57 HydrophobicContact CB-CG2 3.92Å; V54-V57 HydrophobicContact CB-CG2 4.49Å; V54-V57 HydrophobicContact CG1-CG2 3.6Å; V57-L66 HydrophobicContact CG1-CB 4.42Å; V57-L66 HydrophobicContact CG1-CD2 3.61Å; V57-A67 WeakPolarHBondContact CA-O 3.37Å; V57-L68 HydrophobicContact CB-CD2 4.4Å; V57-L68 HydrophobicContact CG1-CD2 3.89Å; V57-L68 HydrophobicContact CG2-CD2 4.05Å
58	E	98.5	Very high	96.6	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.6	174.3	179.1	77.1	-172.8	0	0	108.7	L66 A67 V105 K106 L107	E58-L66 CarbonylContact O-C 3.47Å; E58-L66 WeakPolarHBondContact O-CA 3.42Å; E58-A67 HydrophobicContact CB-CB 4.29Å; E58-A67 PolarHBondContact N-O 3.24Å; E58-A67 PolarHBondContact O-N 2.92Å; E58-V105 HydrophobicContact CB-CB 4.45Å; E58-V105 VanDerWaalsContact CG-O 3.31Å; E58-V105 WeakPolarHBondContact CG-O 3.42Å; E58-K106 IonicContact OE1-NZ 2.62Å; E58-K106 IonicContact OE2-NZ 2.7Å; E58-K106 PolarHBondContact OE2-NZ 3.31Å; E58-L107 HydrophobicContact CG-CB 4.34Å; E58-L107 HydrophobicContact CG-CD1 4.47Å; E58-L107 HydrophobicContact CG-CG 4Å
59	M	98.3	Very high	96.7	Very high	14 Å²	14	35 Å²	35	7%	0.069	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.8	175.5	-62.8	178.2	70.3	0	0	110.7	N19 Q20 C24 A26 V35 F61 L66	N19-M59 HydrophobicContact CB-CB 3.97Å; N19-M59 HydrophobicContact CB-CE 4.5Å; N19-M59 HydrophobicContact CB-CG 4.48Å; N19-M59 HydrophobicContact CB-SD 3.89Å; Q20-M59 PolarHBondContact NE2-O 2.77Å; Q20-M59 PolarHBondContact OE1-O 3.15Å; C24-M59 HydrophobicContact CB-CE 3.71Å; C24-M59 HydrophobicContact CB-SD 3.85Å; A26-M59 HydrophobicContact CB-CG 3.74Å; A26-M59 HydrophobicContact CB-SD 3.82Å; V35-M59 HydrophobicContact CG1-CE 3.47Å; V35-M59 VanDerWaalsContact CG1-CE 3.47Å; V35-M59 HydrophobicContact CG1-SD 3.83Å; M59-F61 WeakPolarHBondContact CE-O 3.41Å; M59-L66 HydrophobicContact CG-CD2 4.02Å
60	L	97.2	Very high	96.8	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.166	C	C	.	.			trans	-100.1	93.7	160.3	179.4	59.8	0	0	0	110.3	R62 C63 Y65 L107 R108 F125	L60-R62 PolarHBondContact O-N 3.29Å; L60-C63 VanDerWaalsContact O-CB 3.22Å; L60-C63 WeakPolarHBondContact O-CB 3.48Å; L60-C63 PolarHBondContact O-N 3.43Å; L60-C63 PolarHBondContact O-SG 2.92Å; L60-Y65 PolarHBondContact N-O 3.26Å; L60-Y65 VanDerWaalsContact N-O 3.15Å; L60-L107 HydrophobicContact CB-CB 4.22Å; L60-L107 HydrophobicContact CB-CD1 4.04Å; L60-L107 HydrophobicContact CD1-CB 4.08Å; L60-R108 VanDerWaalsContact CD1-C 3.42Å; L60-F125 HydrophobicContact CD2-CD2 4.07Å; L60-F125 HydrophobicContact CD2-CE2 3.47Å; L60-F125 VanDerWaalsContact CD2-CE2 3.47Å; L60-F125 HydrophobicContact CD2-CZ 4.42Å
61	F	95.1	Very high	97.1	Very high	37 Å²	37	25.9 Å²	25.9	16%	0.162	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-117.6	-173.1	-71.5	-83.6	0	0	0	111.5	N19 Q20 M59 P149	N19-F61 PolarHBondContact ND2-O 3Å; Q20-F61 HydrophobicContact CB-CD1 3.76Å; Q20-F61 HydrophobicContact CB-CE1 3.51Å; Q20-F61 HydrophobicContact CB-CE2 4.47Å; Q20-F61 HydrophobicContact CB-CG 4.34Å; Q20-F61 HydrophobicContact CB-CZ 3.9Å; Q20-F61 HydrophobicContact CG-CD1 4.4Å; Q20-F61 HydrophobicContact CG-CD2 4.47Å; Q20-F61 HydrophobicContact CG-CE1 4.17Å; Q20-F61 HydrophobicContact CG-CE2 4.25Å; Q20-F61 HydrophobicContact CG-CZ 4.08Å; Q20-F61 VanDerWaalsContact OE1-CA 3.25Å; M59-F61 WeakPolarHBondContact CE-O 3.41Å; F61-P149 HydrophobicContact CE1-CB 4.06Å; F61-P149 HydrophobicContact CZ-CB 3.74Å; F61-P149 WeakPolarHBondContact CZ-O 3.32Å
62	R	95	Very high	97.3	Very high	139 Å²	139	20.8 Å²	20.8	53%	0.525	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	27.8	172.5	-60.9	-176.6	-179.6	-130.9	4.3	110.9	G23 N37 L60	G23-R62 PolarHBondContact O-NH2 2.99Å; G23-R62 VanDerWaalsContact O-NH2 3.14Å; N37-R62 PolarHBondContact OD1-NH1 2.84Å; N37-R62 PolarHBondContact OD1-NH2 2.82Å; L60-R62 PolarHBondContact O-N 3.29Å
63	C	94.8	Very high	97.3	Very high	57 Å²	57	28.5 Å²	28.5	39%	0.385	14%	0.137	S	C	.	.	S	Bend	trans	-80.5	171.3	174.6	-51.7	0	0	0	0	110.3	L60 Y65	L60-C63 VanDerWaalsContact O-CB 3.22Å; L60-C63 WeakPolarHBondContact O-CB 3.48Å; L60-C63 PolarHBondContact O-N 3.43Å; L60-C63 PolarHBondContact O-SG 2.92Å; C63-Y65 PolarHBondContact O-N 2.58Å
64	N	95.8	Very high	97.2	Very high	43 Å²	43	35.3 Å²	35.3	23%	0.23	17%	0.166	C	C	.	.	S	Bend	trans	-76.9	-2.1	176.3	61.3	-59.2	0	0	0	114.5	D86 D87 L88	N64-D86 PolarHBondContact ND2-OD1 2.92Å; N64-D87 HydrophobicContact CB-CB 4.43Å; N64-D87 WeakPolarHBondContact O-CB 3.42Å; N64-D87 PolarHBondContact O-N 2.83Å; N64-L88 HydrophobicContact CB-CB 4.31Å; N64-L88 HydrophobicContact CB-CD1 3.81Å; N64-L88 HydrophobicContact CB-CG 3.6Å
65	Y	97.8	Very high	97.2	Very high	68 Å²	68	37.8 Å²	37.8	27%	0.267	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.5	179.2	-66.6	-60.7	0	0	0	112	L60 C63 I84 W85 D86 V93 F125	L60-Y65 PolarHBondContact N-O 3.26Å; L60-Y65 VanDerWaalsContact N-O 3.15Å; C63-Y65 PolarHBondContact O-N 2.58Å; Y65-I84 HydrophobicContact CD1-CG2 3.97Å; Y65-I84 HydrophobicContact CG-CG2 4.47Å; Y65-W85 WeakPolarHBondContact CA-O 3.46Å; Y65-D86 HydrophobicContact CD1-CB 4.15Å; Y65-D86 HydrophobicContact CE1-CB 3.74Å; Y65-V93 HydrophobicContact CD1-CG2 4.35Å; Y65-V93 HydrophobicContact CE1-CG2 3.98Å; Y65-F125 HydrophobicContact CD2-CE2 4.19Å; Y65-F125 HydrophobicContact CD2-CZ 4.18Å; Y65-F125 HydrophobicContact CG-CE2 4.41Å; Y65-F125 AromaticContact CG-CZ 3.98Å; Y65-F125 HydrophobicContact CG-CZ 3.98Å
66	L	98.4	Very high	97.2	Very high	8 Å²	8	40 Å²	40	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.2	171.4	-57	98.3	0	0	0	109.7	F33 V35 V57 E58 M59 L68 I84 W85 D87	F33-L66 HydrophobicContact CD2-CD2 4.39Å; F33-L66 HydrophobicContact CE2-CD1 4.36Å; F33-L66 HydrophobicContact CE2-CD2 4.18Å; F33-L66 HydrophobicContact CZ-CD1 4.4Å; V35-L66 HydrophobicContact CG2-CD2 3.87Å; V57-L66 HydrophobicContact CG1-CB 4.42Å; V57-L66 HydrophobicContact CG1-CD2 3.61Å; E58-L66 CarbonylContact O-C 3.47Å; E58-L66 WeakPolarHBondContact O-CA 3.42Å; M59-L66 HydrophobicContact CG-CD2 4.02Å; L66-L68 HydrophobicContact CB-CD2 4.08Å; L66-I84 CarbonylContact O-C 3.57Å; L66-I84 WeakPolarHBondContact O-CA 3.16Å; L66-W85 PolarHBondContact N-O 3.29Å; L66-W85 PolarHBondContact O-N 2.81Å; L66-D87 HydrophobicContact CD1-CB 4.07Å
67	A	98.7	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128	165.3	0	0	0	0	0	109.7	V57 E58 V82 M83 I84 V105 L107	V57-A67 WeakPolarHBondContact CA-O 3.37Å; E58-A67 HydrophobicContact CB-CB 4.29Å; E58-A67 PolarHBondContact N-O 3.24Å; E58-A67 PolarHBondContact O-N 2.92Å; A67-V82 HydrophobicContact CB-CG1 4.16Å; A67-M83 CarbonylContact C-O 3.56Å; A67-M83 WeakPolarHBondContact CA-O 3.28Å; A67-I84 HydrophobicContact CB-CD1 3.67Å; A67-V105 HydrophobicContact CB-CB 4.12Å; A67-V105 HydrophobicContact CB-CG1 3.63Å; A67-L107 HydrophobicContact CB-CD1 3.89Å; A67-L107 HydrophobicContact CB-CD2 4.16Å; A67-L107 HydrophobicContact CB-CG 4.16Å
68	L	98.7	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.8	-179.1	-48.1	-179.7	0	0	0	109.4	F33 F49 V54 H56 V57 L66 Y77 M83 W85	F33-L68 HydrophobicContact CD1-CD1 4.11Å; F33-L68 HydrophobicContact CD1-CD2 4.06Å; F33-L68 HydrophobicContact CE1-CD1 4.04Å; F33-L68 HydrophobicContact CE1-CD2 4.37Å; F49-L68 HydrophobicContact CE2-CD1 4.28Å; F49-L68 HydrophobicContact CZ-CD1 4.41Å; V54-L68 HydrophobicContact CG1-CB 4.06Å; V54-L68 HydrophobicContact CG1-CD2 4.16Å; H56-L68 WeakPolarHBondContact O-CA 3.49Å; V57-L68 HydrophobicContact CB-CD2 4.4Å; V57-L68 HydrophobicContact CG1-CD2 3.89Å; V57-L68 HydrophobicContact CG2-CD2 4.05Å; L66-L68 HydrophobicContact CB-CD2 4.08Å; L68-Y77 HydrophobicContact CB-CE2 4.4Å; L68-Y77 HydrophobicContact CD1-CE2 4.18Å; L68-M83 HydrophobicContact CB-CB 4.38Å; L68-M83 PolarHBondContact N-O 3.12Å; L68-M83 PolarHBondContact O-N 3.07Å; L68-W85 HydrophobicContact CD1-CB 3.74Å; L68-W85 HydrophobicContact CD1-CG 4.19Å; L68-W85 HydrophobicContact CG-CB 4.08Å
69	V	98.7	Very high	97.1	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	165.5	-176.6	0	0	0	0	107.3	V54 G55 H56 P79 V82 V102 V105	V54-V69 WeakPolarHBondContact CG1-O 3.28Å; G55-V69 PolarHBondContact N-O 3.07Å; H56-V69 HydrophobicContact CB-CB 3.9Å; H56-V69 HydrophobicContact CB-CG2 4.18Å; H56-V69 PolarHBondContact N-O 2.89Å; H56-V69 PolarHBondContact O-N 2.85Å; V69-P79 WeakPolarHBondContact CG1-O 3.39Å; V69-V82 HydrophobicContact CG2-CG2 4.27Å; V69-V102 HydrophobicContact CG1-CB 4.13Å; V69-V102 HydrophobicContact CG2-CB 4.12Å; V69-V102 HydrophobicContact CG2-CG1 3.82Å; V69-V105 HydrophobicContact CG2-CG2 3.89Å
70	G	98.3	Very high	97.1	Very high	2 Å²	2	46.1 Å²	46.1	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.2	178.1	0	0	0	0	0	111.5	Y77	G70-Y77 WeakPolarHBondContact CA-O 3.44Å
71	G	97.1	Very high	97.2	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	23%	0.234	C	C	.	.			trans	-163.7	-176.2	176.8	0	0	0	0	0	111.8	G53 P75	G53-G71 CarbonylContact C-O 3.51Å; G53-G71 VanDerWaalsContact C-O 3.27Å; G53-G71 WeakPolarHBondContact CA-O 3.08Å; G53-G71 PolarHBondContact O-N 2.82Å; G71-P75 VanDerWaalsContact N-CB 3.34Å; G71-P75 WeakPolarHBondContact O-CA 3.01Å
72	G	96.1	Very high	97.4	Very high	15 Å²	15	45.5 Å²	45.5	16%	0.155	23%	0.226	C	C	.	.	S	Bend	trans	89.2	-174.8	-172.3	0	0	0	0	0	111.8	P5 K74	P5-G72 WeakPolarHBondContact O-CA 3.44Å; G72-K74 VanDerWaalsContact C-N 3.26Å; G72-K74 PolarHBondContact O-N 3.14Å
73	K	94.8	Very high	97.5	Very high	167 Å²	167	39.1 Å²	39.1	73%	0.726	20%	0.203	S	C	*	.	S	Bend	trans	-64.7	-30.4	178.9	-64.8	175.5	-177.5	168.2	0	113.2
74	K	95.9	Very high	97.7	Very high	144 Å²	144	36.4 Å²	36.4	63%	0.626	18%	0.184	S	C	*	.	S	Bend	trans	-133.8	88.4	177.3	-173.5	-177.3	178.8	-172.5	0	108.2	E51 G52 G53 G72	E51-K74 WeakPolarHBondContact O-CE 3.21Å; G52-K74 CarbonylContact C-O 3.56Å; G52-K74 WeakPolarHBondContact CA-O 3.13Å; G53-K74 PolarHBondContact N-O 3.2Å; G72-K74 VanDerWaalsContact C-N 3.26Å; G72-K74 PolarHBondContact O-N 3.14Å
75	P	97.5	Very high	97.8	Very high	53 Å²	53	35 Å²	35	34%	0.344	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-73.8	139.2	-174.8	31.7	-37	0	0	0	111.7	G71 Y77	G71-P75 VanDerWaalsContact N-CB 3.34Å; G71-P75 WeakPolarHBondContact O-CA 3.01Å; P75-Y77 VanDerWaalsContact C-N 3.28Å; P75-Y77 WeakPolarHBondContact CB-O 3.35Å; P75-Y77 PolarHBondContact O-N 3.39Å
76	K	97.6	Very high	97.8	Very high	48 Å²	48	31.9 Å²	31.9	21%	0.209	16%	0.164	C	C	.	.	S	Bend	trans	-64.2	-33.6	177.3	171.5	63.6	-170.3	98.3	0	112.9	F49 E51 G53	F49-K76 HydrophobicContact CB-CD 4.11Å; F49-K76 HydrophobicContact CB-CG 4.46Å; F49-K76 HydrophobicContact CD2-CB 4.4Å; F49-K76 HydrophobicContact CD2-CD 4.41Å; F49-K76 HydrophobicContact CD2-CG 3.93Å; F49-K76 HydrophobicContact CG-CD 4.28Å; F49-K76 HydrophobicContact CG-CG 4.3Å; E51-K76 HydrophobicContact CB-CD 3.61Å; E51-K76 WeakPolarHBondContact OE2-CE 3.41Å; E51-K76 IonicContact OE2-NZ 3.82Å; E51-K76 PolarHBondContact OE2-NZ 3.46Å; G53-K76 PolarHBondContact O-N 3.19Å
77	Y	97.7	Very high	97.7	Very high	26 Å²	26	32.2 Å²	32.2	10%	0.102	17%	0.165	C	C	.	.	S	Bend	trans	-127.4	153	-179.5	-54.8	-69	0	0	0	109	L68 G70 P75 M83 T92	L68-Y77 HydrophobicContact CB-CE2 4.4Å; L68-Y77 HydrophobicContact CD1-CE2 4.18Å; G70-Y77 WeakPolarHBondContact CA-O 3.44Å; P75-Y77 VanDerWaalsContact C-N 3.28Å; P75-Y77 WeakPolarHBondContact CB-O 3.35Å; P75-Y77 PolarHBondContact O-N 3.39Å; Y77-M83 HydrophobicContact CD1-CE 4.34Å; Y77-M83 HydrophobicContact CD1-CG 3.64Å; Y77-M83 HydrophobicContact CD1-SD 4.19Å; Y77-M83 HydrophobicContact CD2-CB 4.43Å; Y77-M83 HydrophobicContact CD2-CG 3.72Å; Y77-M83 HydrophobicContact CE1-CE 4.32Å; Y77-M83 HydrophobicContact CE1-CG 3.96Å; Y77-M83 HydrophobicContact CE2-CB 4.36Å; Y77-M83 HydrophobicContact CE2-CG 4.04Å; Y77-M83 HydrophobicContact CG-CG 3.52Å; Y77-M83 HydrophobicContact CG-SD 4.44Å; Y77-T92 HydrophobicContact CE1-CG2 4.25Å; Y77-T92 WeakPolarHBondContact OH-CG2 3.33Å
78	P	98	Very high	97.6	Very high	61 Å²	61	39 Å²	39	40%	0.396	20%	0.201	S	C	.	.			trans	-55.7	136.7	170.3	-25.1	35.3	0	0	0	111.3	N80 K81	P78-N80 WeakPolarHBondContact CB-OD1 3.17Å; P78-N80 PolarHBondContact O-N 2.73Å; P78-N80 VanDerWaalsContact O-N 3.12Å; P78-K81 HydrophobicContact CB-CD 4.29Å; P78-K81 HydrophobicContact CB-CG 4.14Å; P78-K81 HydrophobicContact CG-CD 4.05Å; P78-K81 HydrophobicContact CG-CG 4.44Å; P78-K81 PolarHBondContact O-N 3.37Å
79	P	97.8	Very high	97.5	Very high	46 Å²	46	45 Å²	45	30%	0.299	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10	-176	27.8	-35.5	0	0	0	113.8	V69 E101 V102	V69-P79 WeakPolarHBondContact CG1-O 3.39Å; P79-E101 HydrophobicContact CB-CG 4.2Å; P79-E101 HydrophobicContact CG-CG 4.21Å; P79-V102 PolarHBondContact O-N 2.81Å
80	N	98.5	Very high	97.4	Very high	35 Å²	35	48.9 Å²	48.9	19%	0.187	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	8.3	172.7	70.3	-47.5	0	0	0	113.3	P78 F98 T100	P78-N80 WeakPolarHBondContact CB-OD1 3.17Å; P78-N80 PolarHBondContact O-N 2.73Å; P78-N80 VanDerWaalsContact O-N 3.12Å; N80-F98 WeakPolarHBondContact CB-O 3.38Å; N80-F98 PolarHBondContact ND2-O 3.11Å; N80-F98 WeakPolarHBondContact O-CD2 3.33Å; N80-F98 PolarHBondContact O-N 3.07Å; N80-T100 WeakPolarHBondContact CA-O 3.39Å; N80-T100 VanDerWaalsContact CB-O 3.24Å; N80-T100 WeakPolarHBondContact CB-O 3.24Å
81	K	98.7	Very high	97.3	Very high	30 Å²	30	54.4 Å²	54.4	13%	0.13	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.7	177.9	-63.8	-169.1	-179.9	-146.3	0	111.9	P78 M83 E95 I96 E97	P78-K81 HydrophobicContact CB-CD 4.29Å; P78-K81 HydrophobicContact CB-CG 4.14Å; P78-K81 HydrophobicContact CG-CD 4.05Å; P78-K81 HydrophobicContact CG-CG 4.44Å; P78-K81 PolarHBondContact O-N 3.37Å; K81-M83 HydrophobicContact CB-SD 4.07Å; K81-E95 HydrophobicContact CD-CG 4.35Å; K81-E95 WeakPolarHBondContact CD-OE1 3.44Å; K81-E95 IonicContact NZ-OE1 2.79Å; K81-E95 PolarHBondContact NZ-OE1 3.45Å; K81-I96 WeakPolarHBondContact CA-O 3.31Å; K81-E97 HydrophobicContact CD-CB 4.46Å; K81-E97 WeakPolarHBondContact CE-OE1 3.42Å; K81-E97 WeakPolarHBondContact CE-OE2 3.38Å; K81-E97 HydrophobicContact CG-CB 4.1Å; K81-E97 HydrophobicContact CG-CG 4.13Å; K81-E97 IonicContact NZ-OE1 3.16Å; K81-E97 IonicContact NZ-OE2 2.72Å; K81-E97 PolarHBondContact NZ-OE2 2.97Å
82	V	98.8	Very high	97.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.2	166.5	179	0	0	0	0	108.7	A67 V69 I84 I96 F98 V102 V105 V114	A67-V82 HydrophobicContact CB-CG1 4.16Å; V69-V82 HydrophobicContact CG2-CG2 4.27Å; V82-I84 HydrophobicContact CG1-CD1 4.17Å; V82-I96 PolarHBondContact N-O 2.94Å; V82-I96 PolarHBondContact O-N 3.31Å; V82-F98 HydrophobicContact CB-CE2 4.46Å; V82-F98 HydrophobicContact CG2-CE2 3.9Å; V82-V102 HydrophobicContact CG2-CB 4.43Å; V82-V102 HydrophobicContact CG2-CG1 3.96Å; V82-V102 HydrophobicContact CG2-CG2 3.83Å; V82-V105 HydrophobicContact CB-CG2 4.47Å; V82-V105 HydrophobicContact CG1-CG1 4.19Å; V82-V105 HydrophobicContact CG1-CG2 3.99Å; V82-V105 HydrophobicContact CG2-CG2 3.61Å; V82-V114 HydrophobicContact CG2-CG1 3.92Å; V82-V114 HydrophobicContact CG2-CG2 3.91Å
83	M	98.6	Very high	97.5	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.9	176.6	-48.5	-53.3	-61	0	0	109.3	A67 L68 Y77 K81 T92 E95	A67-M83 CarbonylContact C-O 3.56Å; A67-M83 WeakPolarHBondContact CA-O 3.28Å; L68-M83 HydrophobicContact CB-CB 4.38Å; L68-M83 PolarHBondContact N-O 3.12Å; L68-M83 PolarHBondContact O-N 3.07Å; Y77-M83 HydrophobicContact CD1-CE 4.34Å; Y77-M83 HydrophobicContact CD1-CG 3.64Å; Y77-M83 HydrophobicContact CD1-SD 4.19Å; Y77-M83 HydrophobicContact CD2-CB 4.43Å; Y77-M83 HydrophobicContact CD2-CG 3.72Å; Y77-M83 HydrophobicContact CE1-CE 4.32Å; Y77-M83 HydrophobicContact CE1-CG 3.96Å; Y77-M83 HydrophobicContact CE2-CB 4.36Å; Y77-M83 HydrophobicContact CE2-CG 4.04Å; Y77-M83 HydrophobicContact CG-CG 3.52Å; Y77-M83 HydrophobicContact CG-SD 4.44Å; K81-M83 HydrophobicContact CB-SD 4.07Å; M83-T92 HydrophobicContact CB-CG2 3.93Å; M83-T92 HydrophobicContact CE-CG2 3.97Å; M83-E95 HydrophobicContact CE-CB 3.76Å; M83-E95 HydrophobicContact CE-CG 3.79Å; M83-E95 HydrophobicContact SD-CB 4.2Å; M83-E95 HydrophobicContact SD-CG 3.76Å
84	I	98.6	Very high	97.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.4	169	-50.3	-60.5	0	0	0	108.2	Y65 L66 A67 V82 T92 V93 I94 L107 I112 F125	Y65-I84 HydrophobicContact CD1-CG2 3.97Å; Y65-I84 HydrophobicContact CG-CG2 4.47Å; L66-I84 CarbonylContact O-C 3.57Å; L66-I84 WeakPolarHBondContact O-CA 3.16Å; A67-I84 HydrophobicContact CB-CD1 3.67Å; V82-I84 HydrophobicContact CG1-CD1 4.17Å; I84-T92 CarbonylContact O-C 3.45Å; I84-T92 WeakPolarHBondContact O-CA 3.45Å; I84-V93 HydrophobicContact CB-CG2 4.31Å; I84-V93 HydrophobicContact CG2-CG2 4.09Å; I84-V93 WeakPolarHBondContact O-CG2 3.24Å; I84-V93 PolarHBondContact O-N 3.34Å; I84-I94 HydrophobicContact CB-CB 3.82Å; I84-I94 HydrophobicContact CB-CD1 4.26Å; I84-I94 HydrophobicContact CB-CG1 4.42Å; I84-I94 HydrophobicContact CG1-CB 3.72Å; I84-I94 HydrophobicContact CG1-CD1 4.07Å; I84-I94 HydrophobicContact CG1-CG1 4.44Å; I84-I94 HydrophobicContact CG1-CG2 4.04Å; I84-I94 PolarHBondContact N-O 3.14Å; I84-L107 HydrophobicContact CD1-CD2 4.23Å; I84-I112 HydrophobicContact CD1-CD1 4.05Å; I84-I112 HydrophobicContact CD1-CG1 4.4Å; I84-I112 HydrophobicContact CG1-CD1 4.01Å; I84-F125 HydrophobicContact CD1-CE1 4.28Å; I84-F125 HydrophobicContact CG1-CE1 4.07Å; I84-F125 HydrophobicContact CG2-CE1 3.81Å; I84-F125 HydrophobicContact CG2-CZ 3.94Å
85	W	98.4	Very high	97.7	Very high	14 Å²	14	48.3 Å²	48.3	5%	0.053	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132	174.8	-179.6	-99.7	0	0	0	110.5	F33 Q47 F49 Y65 L66 L68 D87 K90 K91 T92	F33-W85 HydrophobicContact CE1-CD2 4.43Å; F33-W85 HydrophobicContact CE1-CG 4.32Å; F33-W85 AromaticContact CE1-NE1 3.95Å; F33-W85 AromaticContact CZ-CD1 3.7Å; F33-W85 HydrophobicContact CZ-CG 4.39Å; F33-W85 AromaticContact CZ-NE1 3.54Å; Q47-W85 HydrophobicContact CG-CH2 4.39Å; Q47-W85 HydrophobicContact CG-CZ2 3.89Å; F49-W85 AromaticContact CE1-CH2 3.86Å; F49-W85 HydrophobicContact CE1-CH2 3.86Å; F49-W85 HydrophobicContact CE1-CZ2 4.44Å; F49-W85 HydrophobicContact CE1-CZ3 4.03Å; F49-W85 HydrophobicContact CZ-CE3 4.32Å; F49-W85 HydrophobicContact CZ-CH2 4.15Å; F49-W85 HydrophobicContact CZ-CZ3 4.04Å; Y65-W85 WeakPolarHBondContact CA-O 3.46Å; L66-W85 PolarHBondContact N-O 3.29Å; L66-W85 PolarHBondContact O-N 2.81Å; L68-W85 HydrophobicContact CD1-CB 3.74Å; L68-W85 HydrophobicContact CD1-CG 4.19Å; L68-W85 HydrophobicContact CG-CB 4.08Å; W85-D87 PolarHBondContact NE1-OD1 3.12Å; W85-K90 HydrophobicContact CH2-CB 4.33Å; W85-K90 WeakPolarHBondContact CH2-O 3.2Å; W85-K90 HydrophobicContact CZ2-CB 3.93Å; W85-K90 HydrophobicContact CZ2-CD 4.14Å; W85-K91 VanDerWaalsContact CZ3-CA 3.45Å; W85-T92 HydrophobicContact CE3-CG2 4.01Å
86	D	97.8	Very high	97.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.2	167.8	-174.7	-27.6	0	0	0	108	N64 Y65 L88 K89 K90 K91 V93	N64-D86 PolarHBondContact ND2-OD1 2.92Å; Y65-D86 HydrophobicContact CD1-CB 4.15Å; Y65-D86 HydrophobicContact CE1-CB 3.74Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 3.13Å; D86-L88 PolarHBondContact OD1-N 2.79Å; D86-K89 HydrophobicContact CB-CB 4.19Å; D86-K89 CarbonylContact O-C 3.23Å; D86-K89 PolarHBondContact O-N 2.83Å; D86-K89 PolarHBondContact OD1-N 2.89Å; D86-K89 VanDerWaalsContact OD2-CD 3.25Å; D86-K89 WeakPolarHBondContact OD2-CD 3.41Å; D86-K89 WeakPolarHBondContact OD2-CE 3.46Å; D86-K89 IonicContact OD2-NZ 3.19Å; D86-K89 PolarHBondContact OD2-NZ 2.78Å; D86-K90 WeakPolarHBondContact O-CA 3.04Å; D86-K90 PolarHBondContact O-N 3.01Å; D86-K91 PolarHBondContact N-O 3.35Å; D86-K91 PolarHBondContact O-N 2.95Å; D86-V93 HydrophobicContact CB-CG1 3.56Å; D86-V93 HydrophobicContact CB-CG2 4.11Å
87	D	95.9	Very high	97.8	Very high	14 Å²	14	50.1 Å²	50.1	8%	0.075	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.5	-173.6	-164.1	62.9	0	0	0	113.8	N64 L66 W85 K89 K90	N64-D87 HydrophobicContact CB-CB 4.43Å; N64-D87 WeakPolarHBondContact O-CB 3.42Å; N64-D87 PolarHBondContact O-N 2.83Å; L66-D87 HydrophobicContact CD1-CB 4.07Å; W85-D87 PolarHBondContact NE1-OD1 3.12Å; D87-K89 VanDerWaalsContact C-N 3.34Å; D87-K90 WeakPolarHBondContact O-CD 3.11Å; D87-K90 WeakPolarHBondContact O-CE 3.34Å; D87-K90 WeakPolarHBondContact O-CG 3.24Å; D87-K90 PolarHBondContact O-NZ 3.38Å; D87-K90 IonicContact OD1-NZ 3.24Å; D87-K90 PolarHBondContact OD1-NZ 2.73Å; D87-K90 IonicContact OD2-NZ 2.77Å; D87-K90 PolarHBondContact OD2-NZ 2.98Å
88	L	95.9	Very high	97.9	Very high	143 Å²	143	49.5 Å²	49.5	75%	0.749	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-34.5	171.6	-71.7	172.2	0	0	0	111.3	N64 D86	N64-L88 HydrophobicContact CB-CB 4.31Å; N64-L88 HydrophobicContact CB-CD1 3.81Å; N64-L88 HydrophobicContact CB-CG 3.6Å; D86-L88 VanDerWaalsContact C-N 3.33Å; D86-L88 PolarHBondContact O-N 3.13Å; D86-L88 PolarHBondContact OD1-N 2.79Å
89	K	96.9	Very high	97.8	Very high	126 Å²	126	52.4 Å²	52.4	55%	0.548	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.2	178	-61.8	-179.4	-169	147.5	0	113.5	D86 D87 K91	D86-K89 HydrophobicContact CB-CB 4.19Å; D86-K89 CarbonylContact O-C 3.23Å; D86-K89 PolarHBondContact O-N 2.83Å; D86-K89 PolarHBondContact OD1-N 2.89Å; D86-K89 VanDerWaalsContact OD2-CD 3.25Å; D86-K89 WeakPolarHBondContact OD2-CD 3.41Å; D86-K89 WeakPolarHBondContact OD2-CE 3.46Å; D86-K89 IonicContact OD2-NZ 3.19Å; D86-K89 PolarHBondContact OD2-NZ 2.78Å; D87-K89 VanDerWaalsContact C-N 3.34Å; K89-K91 VanDerWaalsContact C-N 3.26Å; K89-K91 HydrophobicContact CB-CD 4.45Å; K89-K91 HydrophobicContact CB-CG 3.95Å; K89-K91 PolarHBondContact O-N 3.24Å
90	K	96.4	Very high	97.8	Very high	88 Å²	88	53 Å²	53	38%	0.383	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	48	-174.4	-57.9	-67.9	-179.8	-169.5	0	112.6	E45 W85 D86 D87	E45-K90 IonicContact OE2-NZ 2.76Å; E45-K90 PolarHBondContact OE2-NZ 3.01Å; E45-K90 VanDerWaalsContact OE2-NZ 3.16Å; W85-K90 HydrophobicContact CH2-CB 4.33Å; W85-K90 WeakPolarHBondContact CH2-O 3.2Å; W85-K90 HydrophobicContact CZ2-CB 3.93Å; W85-K90 HydrophobicContact CZ2-CD 4.14Å; D86-K90 WeakPolarHBondContact O-CA 3.04Å; D86-K90 PolarHBondContact O-N 3.01Å; D87-K90 WeakPolarHBondContact O-CD 3.11Å; D87-K90 WeakPolarHBondContact O-CE 3.34Å; D87-K90 WeakPolarHBondContact O-CG 3.24Å; D87-K90 PolarHBondContact O-NZ 3.38Å; D87-K90 IonicContact OD1-NZ 3.24Å; D87-K90 PolarHBondContact OD1-NZ 2.73Å; D87-K90 IonicContact OD2-NZ 2.77Å; D87-K90 PolarHBondContact OD2-NZ 2.98Å
91	K	97.1	Very high	97.8	Very high	117 Å²	117	56 Å²	56	51%	0.509	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.7	177.9	70.1	178.6	-175.6	174.1	0	113.2	W85 D86 K89 V93	W85-K91 VanDerWaalsContact CZ3-CA 3.45Å; D86-K91 PolarHBondContact N-O 3.35Å; D86-K91 PolarHBondContact O-N 2.95Å; K89-K91 VanDerWaalsContact C-N 3.26Å; K89-K91 HydrophobicContact CB-CD 4.45Å; K89-K91 HydrophobicContact CB-CG 3.95Å; K89-K91 PolarHBondContact O-N 3.24Å; K91-V93 HydrophobicContact CG-CG1 4.27Å
92	T	97.6	Very high	97.8	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.2	166.9	51.1	0	0	0	0	110.3	Y77 M83 I84 W85	Y77-T92 HydrophobicContact CE1-CG2 4.25Å; Y77-T92 WeakPolarHBondContact OH-CG2 3.33Å; M83-T92 HydrophobicContact CB-CG2 3.93Å; M83-T92 HydrophobicContact CE-CG2 3.97Å; I84-T92 CarbonylContact O-C 3.45Å; I84-T92 WeakPolarHBondContact O-CA 3.45Å; W85-T92 HydrophobicContact CE3-CG2 4.01Å
93	V	98.1	Very high	97.7	Very high	30 Å²	30	57.2 Å²	57.2	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-20.4	-178.3	-67.8	0	0	0	0	113.3	Y65 I84 D86 K91	Y65-V93 HydrophobicContact CD1-CG2 4.35Å; Y65-V93 HydrophobicContact CE1-CG2 3.98Å; I84-V93 HydrophobicContact CB-CG2 4.31Å; I84-V93 HydrophobicContact CG2-CG2 4.09Å; I84-V93 WeakPolarHBondContact O-CG2 3.24Å; I84-V93 PolarHBondContact O-N 3.34Å; D86-V93 HydrophobicContact CB-CG1 3.56Å; D86-V93 HydrophobicContact CB-CG2 4.11Å; K91-V93 HydrophobicContact CG-CG1 4.27Å
94	I	98.4	Very high	97.7	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.9	175.6	-62.2	162.4	0	0	0	107.9	I84 I96 F125 T126 P129	I84-I94 HydrophobicContact CB-CB 3.82Å; I84-I94 HydrophobicContact CB-CD1 4.26Å; I84-I94 HydrophobicContact CB-CG1 4.42Å; I84-I94 HydrophobicContact CG1-CB 3.72Å; I84-I94 HydrophobicContact CG1-CD1 4.07Å; I84-I94 HydrophobicContact CG1-CG1 4.44Å; I84-I94 HydrophobicContact CG1-CG2 4.04Å; I84-I94 PolarHBondContact N-O 3.14Å; I94-I96 HydrophobicContact CG2-CD1 4.35Å; I94-I96 HydrophobicContact CG2-CG1 3.94Å; I94-F125 HydrophobicContact CD1-CD1 4.11Å; I94-F125 HydrophobicContact CD1-CE1 3.89Å; I94-T126 WeakPolarHBondContact CD1-O 3.27Å; I94-P129 HydrophobicContact CD1-CG 4.34Å; I94-P129 HydrophobicContact CG1-CG 4.44Å; I94-P129 HydrophobicContact CG2-CG 3.32Å
95	E	98.3	Very high	97.7	Very high	106 Å²	106	57.2 Å²	57.2	50%	0.495	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.8	172.5	178.1	172	157.1	0	0	108.7	K81 M83	K81-E95 HydrophobicContact CD-CG 4.35Å; K81-E95 WeakPolarHBondContact CD-OE1 3.44Å; K81-E95 IonicContact NZ-OE1 2.79Å; K81-E95 PolarHBondContact NZ-OE1 3.45Å; M83-E95 HydrophobicContact CE-CB 3.76Å; M83-E95 HydrophobicContact CE-CG 3.79Å; M83-E95 HydrophobicContact SD-CB 4.2Å; M83-E95 HydrophobicContact SD-CG 3.76Å
96	I	98.6	Very high	97.8	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.087	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.1	174.1	-47.6	178	0	0	0	108.2	K81 V82 I94 F98 I112 F123 P129	K81-I96 WeakPolarHBondContact CA-O 3.31Å; V82-I96 PolarHBondContact N-O 2.94Å; V82-I96 PolarHBondContact O-N 3.31Å; I94-I96 HydrophobicContact CG2-CD1 4.35Å; I94-I96 HydrophobicContact CG2-CG1 3.94Å; I96-F98 HydrophobicContact CB-CE2 3.97Å; I96-F98 HydrophobicContact CB-CZ 4.19Å; I96-F98 HydrophobicContact CG2-CE1 4.23Å; I96-F98 HydrophobicContact CG2-CE2 3.59Å; I96-F98 HydrophobicContact CG2-CZ 3.4Å; I96-F98 VanDerWaalsContact CG2-CZ 3.4Å; I96-I112 HydrophobicContact CD1-CD1 3.85Å; I96-I112 HydrophobicContact CD1-CG2 4.47Å; I96-F123 HydrophobicContact CD1-CD1 4.36Å; I96-F123 HydrophobicContact CD1-CD2 4.41Å; I96-F123 HydrophobicContact CD1-CG 4.2Å; I96-F123 HydrophobicContact CG2-CE1 4.08Å; I96-F123 HydrophobicContact CG2-CE2 4.47Å; I96-F123 HydrophobicContact CG2-CZ 3.99Å; I96-P129 HydrophobicContact CD1-CB 3.93Å; I96-P129 HydrophobicContact CD1-CG 3.95Å; I96-P129 HydrophobicContact CG1-CG 4.21Å
97	E	98.4	Very high	97.8	Very high	122 Å²	122	58.5 Å²	58.5	57%	0.57	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.7	-177.1	178.4	163.6	-162.8	0	0	111.9	K81	K81-E97 HydrophobicContact CD-CB 4.46Å; K81-E97 WeakPolarHBondContact CE-OE1 3.42Å; K81-E97 WeakPolarHBondContact CE-OE2 3.38Å; K81-E97 HydrophobicContact CG-CB 4.1Å; K81-E97 HydrophobicContact CG-CG 4.13Å; K81-E97 IonicContact NZ-OE1 3.16Å; K81-E97 IonicContact NZ-OE2 2.72Å; K81-E97 PolarHBondContact NZ-OE2 2.97Å
98	F	98.5	Very high	97.7	Very high	14 Å²	14	58.6 Å²	58.6	6%	0.061	30%	0.296	C	S	.	.			trans	-126.4	160.7	-179.2	-58.5	-87.9	0	0	0	110.9	N80 V82 I96 T100 V102 V114 L116 K121 F123	N80-F98 WeakPolarHBondContact CB-O 3.38Å; N80-F98 PolarHBondContact ND2-O 3.11Å; N80-F98 WeakPolarHBondContact O-CD2 3.33Å; N80-F98 PolarHBondContact O-N 3.07Å; V82-F98 HydrophobicContact CB-CE2 4.46Å; V82-F98 HydrophobicContact CG2-CE2 3.9Å; I96-F98 HydrophobicContact CB-CE2 3.97Å; I96-F98 HydrophobicContact CB-CZ 4.19Å; I96-F98 HydrophobicContact CG2-CE1 4.23Å; I96-F98 HydrophobicContact CG2-CE2 3.59Å; I96-F98 HydrophobicContact CG2-CZ 3.4Å; I96-F98 VanDerWaalsContact CG2-CZ 3.4Å; F98-T100 VanDerWaalsContact C-N 3.31Å; F98-V102 HydrophobicContact CD2-CG2 3.73Å; F98-V102 HydrophobicContact CE2-CG2 4.24Å; F98-V102 HydrophobicContact CG-CG2 4.44Å; F98-V114 HydrophobicContact CD2-CG1 4.26Å; F98-V114 HydrophobicContact CE1-CB 4.25Å; F98-V114 HydrophobicContact CE1-CG1 4.14Å; F98-V114 HydrophobicContact CE2-CB 4.25Å; F98-V114 HydrophobicContact CE2-CG1 3.7Å; F98-V114 HydrophobicContact CE2-CG2 4.08Å; F98-V114 HydrophobicContact CZ-CB 3.73Å; F98-V114 HydrophobicContact CZ-CG1 3.63Å; F98-V114 HydrophobicContact CZ-CG2 3.65Å; F98-L116 HydrophobicContact CB-CD1 4.49Å; F98-L116 HydrophobicContact CB-CD2 4.17Å; F98-L116 HydrophobicContact CD1-CD1 4.02Å; F98-L116 HydrophobicContact CD1-CD2 4.26Å; F98-L116 HydrophobicContact CG-CD2 4.13Å; F98-K121 HydrophobicContact CD1-CD 4.03Å; F98-K121 HydrophobicContact CE1-CB 4.41Å; F98-K121 HydrophobicContact CE1-CD 3.75Å; F98-F123 AromaticContact CE1-CE2 3.8Å; F98-F123 HydrophobicContact CE1-CE2 3.8Å; F98-F123 AromaticContact CE1-CZ 3.73Å; F98-F123 HydrophobicContact CE1-CZ 3.73Å; F98-F123 AromaticContact CZ-CE2 3.71Å; F98-F123 HydrophobicContact CZ-CE2 3.71Å; F98-F123 AromaticContact CZ-CZ 3.86Å; F98-F123 HydrophobicContact CZ-CZ 3.86Å
99	S	96.6	Very high	97.6	Very high	121 Å²	121	59.9 Å²	59.9	85%	0.846	29%	0.291	S	S	*	.	S	Bend	trans	-76.3	-18.5	177.9	54.3	0	0	0	0	113.7
100	T	97.5	Very high	97.5	Very high	58 Å²	58	56.7 Å²	56.7	36%	0.356	28%	0.28	S	S	.	.	S	Bend	trans	-128.6	166.2	179.8	63.1	0	0	0	0	110	N80 F98	N80-T100 WeakPolarHBondContact CA-O 3.39Å; N80-T100 VanDerWaalsContact CB-O 3.24Å; N80-T100 WeakPolarHBondContact CB-O 3.24Å; F98-T100 VanDerWaalsContact C-N 3.31Å
101	E	97.8	Very high	97.6	Very high	98 Å²	98	55 Å²	55	46%	0.458	27%	0.271	S	S	.	.			trans	-57.6	143.5	174.3	-63.6	-176.3	161.2	0	0	112.3	P79 K103	P79-E101 HydrophobicContact CB-CG 4.2Å; P79-E101 HydrophobicContact CG-CG 4.21Å; E101-K103 IonicContact OE2-NZ 2.75Å; E101-K103 PolarHBondContact OE2-NZ 3Å
102	V	98.7	Very high	97.6	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.091	25%	0.247	C	C	.	.			trans	-82.4	126.6	173.1	176.4	0	0	0	0	108.9	V69 P79 V82 F98 V105 V114 L116	V69-V102 HydrophobicContact CG1-CB 4.13Å; V69-V102 HydrophobicContact CG2-CB 4.12Å; V69-V102 HydrophobicContact CG2-CG1 3.82Å; P79-V102 PolarHBondContact O-N 2.81Å; V82-V102 HydrophobicContact CG2-CB 4.43Å; V82-V102 HydrophobicContact CG2-CG1 3.96Å; V82-V102 HydrophobicContact CG2-CG2 3.83Å; F98-V102 HydrophobicContact CD2-CG2 3.73Å; F98-V102 HydrophobicContact CE2-CG2 4.24Å; F98-V102 HydrophobicContact CG-CG2 4.44Å; V102-V105 HydrophobicContact CG1-CG2 3.8Å; V102-V114 HydrophobicContact CB-CG1 4.39Å; V102-V114 HydrophobicContact CG1-CG1 3.68Å; V102-V114 HydrophobicContact CG2-CG1 3.92Å; V102-L116 HydrophobicContact CG2-CD2 4.21Å
103	K	98.3	Very high	97.7	Very high	42 Å²	42	46.9 Å²	46.9	18%	0.183	23%	0.231	C	C	.	.			trans	-93	-32.8	-179	-56.8	-49.5	-173.7	-174.5	0	113	E101 V115 D117	E101-K103 IonicContact OE2-NZ 2.75Å; E101-K103 PolarHBondContact OE2-NZ 3Å; K103-V115 PolarHBondContact N-O 3.34Å; K103-D117 WeakPolarHBondContact CE-OD1 3.46Å; K103-D117 WeakPolarHBondContact CE-OD2 3.4Å; K103-D117 IonicContact NZ-OD1 3.12Å; K103-D117 IonicContact NZ-OD2 2.77Å
104	A	98.4	Very high	97.7	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.7	171.9	0	0	0	0	0	111.6	V115 G143	A104-V115 HydrophobicContact CB-CB 4.08Å; A104-V115 HydrophobicContact CB-CG2 4Å; A104-V115 PolarHBondContact N-O 2.98Å; A104-V115 PolarHBondContact O-N 3.23Å; A104-G143 VanDerWaalsContact CB-O 3.23Å; A104-G143 WeakPolarHBondContact CB-O 3.48Å
105	V	98.7	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.8	169.9	-172.2	0	0	0	0	108.8	H56 E58 A67 V69 V82 V102 L107 I112 V113	H56-V105 PolarHBondContact NE2-N 3Å; E58-V105 HydrophobicContact CB-CB 4.45Å; E58-V105 VanDerWaalsContact CG-O 3.31Å; E58-V105 WeakPolarHBondContact CG-O 3.42Å; A67-V105 HydrophobicContact CB-CB 4.12Å; A67-V105 HydrophobicContact CB-CG1 3.63Å; V69-V105 HydrophobicContact CG2-CG2 3.89Å; V82-V105 HydrophobicContact CB-CG2 4.47Å; V82-V105 HydrophobicContact CG1-CG1 4.19Å; V82-V105 HydrophobicContact CG1-CG2 3.99Å; V82-V105 HydrophobicContact CG2-CG2 3.61Å; V102-V105 HydrophobicContact CG1-CG2 3.8Å; V105-L107 HydrophobicContact CG1-CD2 4.17Å; V105-I112 HydrophobicContact CG1-CG2 4.06Å; V105-V113 CarbonylContact C-O 3.56Å; V105-V113 WeakPolarHBondContact CA-O 3.29Å
106	K	98.6	Very high	97.7	Very high	40 Å²	40	39.9 Å²	39.9	17%	0.174	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.8	171.8	-63	-69.7	154.9	-155.1	0	109.9	E58 V113 C145 L147	E58-K106 IonicContact OE1-NZ 2.62Å; E58-K106 IonicContact OE2-NZ 2.7Å; E58-K106 PolarHBondContact OE2-NZ 3.31Å; K106-V113 HydrophobicContact CB-CB 4.17Å; K106-V113 PolarHBondContact N-O 3.5Å; K106-V113 PolarHBondContact O-N 2.74Å; K106-C145 VanDerWaalsContact CE-O 3.27Å; K106-C145 WeakPolarHBondContact CE-O 3.35Å; K106-C145 HydrophobicContact CG-CB 4.46Å; K106-L147 HydrophobicContact CB-CB 4Å; K106-L147 HydrophobicContact CB-CD2 4.11Å
107	L	98	Very high	97.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.9	-177.6	-62.6	-176.6	0	0	0	111.7	Q20 E58 L60 A67 I84 V105 I112	Q20-L107 PolarHBondContact NE2-O 2.65Å; Q20-L107 VanDerWaalsContact NE2-O 3.12Å; E58-L107 HydrophobicContact CG-CB 4.34Å; E58-L107 HydrophobicContact CG-CD1 4.47Å; E58-L107 HydrophobicContact CG-CG 4Å; L60-L107 HydrophobicContact CB-CB 4.22Å; L60-L107 HydrophobicContact CB-CD1 4.04Å; L60-L107 HydrophobicContact CD1-CB 4.08Å; A67-L107 HydrophobicContact CB-CD1 3.89Å; A67-L107 HydrophobicContact CB-CD2 4.16Å; A67-L107 HydrophobicContact CB-CG 4.16Å; I84-L107 HydrophobicContact CD1-CD2 4.23Å; V105-L107 HydrophobicContact CG1-CD2 4.17Å; L107-I112 HydrophobicContact CD2-CB 4.25Å; L107-I112 HydrophobicContact CD2-CG1 3.96Å; L107-I112 HydrophobicContact CD2-CG2 4.04Å
108	R	95.3	Very high	97.6	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.06	19%	0.194	C	C	.	.			trans	-121.5	171.1	158.3	-80.7	175.6	92.2	-133.2	15.7	108.9	L60 D110 R111 L147 C148 N150 N153	L60-R108 VanDerWaalsContact CD1-C 3.42Å; R108-D110 WeakPolarHBondContact CB-OD1 3.45Å; R108-D110 IonicContact CZ-OD1 3.75Å; R108-D110 IonicContact NH1-OD1 3.82Å; R108-D110 PolarHBondContact NH1-OD1 3.13Å; R108-D110 VanDerWaalsContact NH1-OD1 3.08Å; R108-D110 IonicContact NH1-OD2 3.71Å; R108-D110 PolarHBondContact O-N 3.43Å; R108-D110 VanDerWaalsContact O-N 3.1Å; R108-R111 HydrophobicContact CB-CB 4.33Å; R108-R111 PolarHBondContact N-O 3.25Å; R108-R111 PolarHBondContact O-N 3.24Å; R108-L147 HydrophobicContact CB-CD2 4.17Å; R108-L147 VanDerWaalsContact CD-CG 3.42Å; R108-L147 HydrophobicContact CG-CD1 4.3Å; R108-L147 HydrophobicContact CG-CD2 3.47Å; R108-L147 VanDerWaalsContact CG-CD2 3.47Å; R108-L147 HydrophobicContact CG-CG 3.65Å; R108-C148 PolarHBondContact NE-O 3.12Å; R108-N150 PolarHBondContact NH2-O 3.05Å; R108-N153 PolarHBondContact NH2-O 3.26Å
109	R	93.3	Very high	97.6	Very high	170 Å²	170	40.4 Å²	40.4	64%	0.642	21%	0.207	S	C	*	.	S	Bend	trans	-58.5	-24.1	177.4	-67.6	-177.3	-179.3	147.8	1.3	113.1
110	D	94.8	Very high	97.7	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	17%	0.167	S	C	.	.	S	Bend	trans	-121.6	-5.7	-172.9	67	-37.9	0	0	0	113.9	R108 F125	R108-D110 WeakPolarHBondContact CB-OD1 3.45Å; R108-D110 IonicContact CZ-OD1 3.75Å; R108-D110 IonicContact NH1-OD1 3.82Å; R108-D110 PolarHBondContact NH1-OD1 3.13Å; R108-D110 VanDerWaalsContact NH1-OD1 3.08Å; R108-D110 IonicContact NH1-OD2 3.71Å; R108-D110 PolarHBondContact O-N 3.43Å; R108-D110 VanDerWaalsContact O-N 3.1Å; D110-F125 PolarHBondContact O-N 3.4Å
111	R	97.4	Very high	97.8	Very high	53 Å²	53	34.2 Å²	34.2	20%	0.2	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.8	-173.3	-59.5	-66.5	179.7	-95.6	-0.6	112.7	R108 V113 V122 F123 L171	R108-R111 HydrophobicContact CB-CB 4.33Å; R108-R111 PolarHBondContact N-O 3.25Å; R108-R111 PolarHBondContact O-N 3.24Å; R111-V113 HydrophobicContact CB-CG2 4.48Å; R111-V122 HydrophobicContact CB-CG1 4.49Å; R111-V122 HydrophobicContact CG-CG1 4.43Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.25Å; R111-L171 HydrophobicContact CG-CD1 4.42Å
112	I	98.6	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.1	159.2	-55.7	166.2	0	0	0	106.8	I84 I96 V105 L107 V114 F123 F125 P129	I84-I112 HydrophobicContact CD1-CD1 4.05Å; I84-I112 HydrophobicContact CD1-CG1 4.4Å; I84-I112 HydrophobicContact CG1-CD1 4.01Å; I96-I112 HydrophobicContact CD1-CD1 3.85Å; I96-I112 HydrophobicContact CD1-CG2 4.47Å; V105-I112 HydrophobicContact CG1-CG2 4.06Å; L107-I112 HydrophobicContact CD2-CB 4.25Å; L107-I112 HydrophobicContact CD2-CG1 3.96Å; L107-I112 HydrophobicContact CD2-CG2 4.04Å; I112-V114 HydrophobicContact CG2-CG2 3.93Å; I112-F123 HydrophobicContact CB-CB 4.34Å; I112-F123 PolarHBondContact N-O 2.79Å; I112-F123 PolarHBondContact O-N 3.18Å; I112-F125 HydrophobicContact CD1-CD1 3.55Å; I112-F125 HydrophobicContact CD1-CE1 4.02Å; I112-F125 HydrophobicContact CG1-CB 4.24Å; I112-F125 HydrophobicContact CG1-CD1 3.4Å; I112-F125 VanDerWaalsContact CG1-CD1 3.4Å; I112-F125 HydrophobicContact CG1-CE1 4.01Å; I112-F125 HydrophobicContact CG1-CG 4.09Å; I112-P129 HydrophobicContact CD1-CG 4.31Å
113	V	98.8	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.3	175.1	-179.8	0	0	0	0	108.7	V105 K106 R111 I120 K121 V122 L147 L156 L171	V105-V113 CarbonylContact C-O 3.56Å; V105-V113 WeakPolarHBondContact CA-O 3.29Å; K106-V113 HydrophobicContact CB-CB 4.17Å; K106-V113 PolarHBondContact N-O 3.5Å; K106-V113 PolarHBondContact O-N 2.74Å; R111-V113 HydrophobicContact CB-CG2 4.48Å; V113-I120 HydrophobicContact CG1-CG2 3.38Å; V113-K121 WeakPolarHBondContact CA-O 3.23Å; V113-V122 HydrophobicContact CG1-CG2 4.33Å; V113-V122 HydrophobicContact CG2-CG1 4.2Å; V113-V122 HydrophobicContact CG2-CG2 4.1Å; V113-L147 HydrophobicContact CB-CD2 4.48Å; V113-L147 HydrophobicContact CG2-CD2 3.75Å; V113-L156 HydrophobicContact CG1-CD1 3.95Å; V113-L156 HydrophobicContact CG1-CD2 4.39Å; V113-L156 HydrophobicContact CG2-CD1 4.3Å; V113-L171 HydrophobicContact CG2-CD1 4.44Å
114	V	98.9	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128	-177.5	-174.1	0	0	0	0	109.4	V82 F98 V102 I112 L116 I120 K121 F123	V82-V114 HydrophobicContact CG2-CG1 3.92Å; V82-V114 HydrophobicContact CG2-CG2 3.91Å; F98-V114 HydrophobicContact CD2-CG1 4.26Å; F98-V114 HydrophobicContact CE1-CB 4.25Å; F98-V114 HydrophobicContact CE1-CG1 4.14Å; F98-V114 HydrophobicContact CE2-CB 4.25Å; F98-V114 HydrophobicContact CE2-CG1 3.7Å; F98-V114 HydrophobicContact CE2-CG2 4.08Å; F98-V114 HydrophobicContact CZ-CB 3.73Å; F98-V114 HydrophobicContact CZ-CG1 3.63Å; F98-V114 HydrophobicContact CZ-CG2 3.65Å; V102-V114 HydrophobicContact CB-CG1 4.39Å; V102-V114 HydrophobicContact CG1-CG1 3.68Å; V102-V114 HydrophobicContact CG2-CG1 3.92Å; I112-V114 HydrophobicContact CG2-CG2 3.93Å; V114-L116 HydrophobicContact CG1-CD2 4.25Å; V114-I120 CarbonylContact O-C 3.58Å; V114-I120 WeakPolarHBondContact O-CA 3.31Å; V114-K121 PolarHBondContact N-O 2.91Å; V114-K121 PolarHBondContact O-N 2.86Å; V114-F123 HydrophobicContact CG2-CD2 4.42Å; V114-F123 HydrophobicContact CG2-CE2 4.31Å
115	V	98.8	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126	-179.6	-170.8	0	0	0	0	109.2	K103 A104 I120 N140 C145	K103-V115 PolarHBondContact N-O 3.34Å; A104-V115 HydrophobicContact CB-CB 4.08Å; A104-V115 HydrophobicContact CB-CG2 4Å; A104-V115 PolarHBondContact N-O 2.98Å; A104-V115 PolarHBondContact O-N 3.23Å; V115-I120 HydrophobicContact CB-CG1 4.37Å; V115-I120 HydrophobicContact CG1-CD1 4.47Å; V115-I120 HydrophobicContact CG1-CG1 4.01Å; V115-I120 HydrophobicContact CG2-CD1 4.39Å; V115-I120 HydrophobicContact CG2-CG1 4.17Å; V115-N140 WeakPolarHBondContact CG1-ND2 3.43Å; V115-C145 HydrophobicContact CG2-CB 3.36Å
116	L	98.6	Very high	97.6	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.16	C	C	.	.			trans	-111.8	-178	172	-52.8	179.5	0	0	0	109.1	F98 V102 V114 S118 M119 K121	F98-L116 HydrophobicContact CB-CD1 4.49Å; F98-L116 HydrophobicContact CB-CD2 4.17Å; F98-L116 HydrophobicContact CD1-CD1 4.02Å; F98-L116 HydrophobicContact CD1-CD2 4.26Å; F98-L116 HydrophobicContact CG-CD2 4.13Å; V102-L116 HydrophobicContact CG2-CD2 4.21Å; V114-L116 HydrophobicContact CG1-CD2 4.25Å; L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.1Å; L116-M119 HydrophobicContact CB-CG 4.07Å; L116-M119 HydrophobicContact CD1-CG 3.9Å; L116-M119 HydrophobicContact CD1-SD 4.11Å; L116-M119 HydrophobicContact CG-CG 4.36Å; L116-M119 PolarHBondContact N-O 2.84Å; L116-K121 HydrophobicContact CD1-CD 4.41Å
117	D	96.9	Very high	97.4	Very high	36 Å²	36	39 Å²	39	19%	0.193	19%	0.187	C	C	.	.	S	Bend	trans	-62	-28.4	-174.9	-79.8	-52.5	0	0	0	115.2	K103 Y139 N140	K103-D117 WeakPolarHBondContact CE-OD1 3.46Å; K103-D117 WeakPolarHBondContact CE-OD2 3.4Å; K103-D117 IonicContact NZ-OD1 3.12Å; K103-D117 IonicContact NZ-OD2 2.77Å; D117-Y139 HydrophobicContact CB-CD2 4.2Å; D117-Y139 HydrophobicContact CB-CE2 3.99Å; D117-Y139 CarbonylContact O-C 3.58Å; D117-Y139 WeakPolarHBondContact O-CA 3.27Å; D117-N140 PolarHBondContact O-N 2.75Å
118	S	97.3	Very high	97.3	Very high	59 Å²	59	44.1 Å²	44.1	41%	0.413	21%	0.214	S	C	.	.	S	Bend	trans	-144.3	15	-177.3	-53	0	0	0	0	113.2	L116 T137	L116-S118 VanDerWaalsContact C-N 3.29Å; L116-S118 PolarHBondContact O-N 3.1Å; S118-T137 WeakPolarHBondContact CA-OG1 3.44Å; S118-T137 PolarHBondContact O-N 3.28Å
119	M	98	Very high	97.5	Very high	70 Å²	70	44.5 Å²	44.5	35%	0.345	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	158.4	176.5	68.3	-174.3	79	0	0	111.4	L116 V134 F135	L116-M119 HydrophobicContact CB-CG 4.07Å; L116-M119 HydrophobicContact CD1-CG 3.9Å; L116-M119 HydrophobicContact CD1-SD 4.11Å; L116-M119 HydrophobicContact CG-CG 4.36Å; L116-M119 PolarHBondContact N-O 2.84Å; M119-V134 HydrophobicContact CB-CG1 4.29Å; M119-V134 HydrophobicContact SD-CG1 4.27Å; M119-F135 CarbonylContact C-O 3.52Å; M119-F135 WeakPolarHBondContact CA-O 3.16Å; M119-F135 WeakPolarHBondContact CB-O 3.27Å
120	I	98.7	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.9	171.9	-65.9	173.8	0	0	0	108.2	V113 V114 V115 V134 F135 T137 C145 L156 F158	V113-I120 HydrophobicContact CG1-CG2 3.38Å; V114-I120 CarbonylContact O-C 3.58Å; V114-I120 WeakPolarHBondContact O-CA 3.31Å; V115-I120 HydrophobicContact CB-CG1 4.37Å; V115-I120 HydrophobicContact CG1-CD1 4.47Å; V115-I120 HydrophobicContact CG1-CG1 4.01Å; V115-I120 HydrophobicContact CG2-CD1 4.39Å; V115-I120 HydrophobicContact CG2-CG1 4.17Å; I120-V134 CarbonylContact O-C 3.54Å; I120-V134 WeakPolarHBondContact O-CA 3.39Å; I120-F135 PolarHBondContact N-O 3.5Å; I120-F135 PolarHBondContact O-N 2.96Å; I120-T137 HydrophobicContact CD1-CG2 3.93Å; I120-T137 HydrophobicContact CG1-CG2 3.94Å; I120-C145 HydrophobicContact CD1-CB 4.19Å; I120-L156 HydrophobicContact CG2-CD2 4.27Å; I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.84Å; I120-F158 HydrophobicContact CD1-CD2 3.8Å; I120-F158 HydrophobicContact CD1-CG 3.37Å
121	K	98.8	Very high	97.9	Very high	49 Å²	49	43.4 Å²	43.4	21%	0.213	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.9	177.6	-65.2	-174.1	164	-154	0	110	F98 V113 V114 L116 F123 H133 V134	F98-K121 HydrophobicContact CD1-CD 4.03Å; F98-K121 HydrophobicContact CE1-CB 4.41Å; F98-K121 HydrophobicContact CE1-CD 3.75Å; V113-K121 WeakPolarHBondContact CA-O 3.23Å; V114-K121 PolarHBondContact N-O 2.91Å; V114-K121 PolarHBondContact O-N 2.86Å; L116-K121 HydrophobicContact CD1-CD 4.41Å; K121-F123 HydrophobicContact CB-CD2 4.4Å; K121-F123 HydrophobicContact CB-CE2 3.54Å; K121-F123 HydrophobicContact CB-CZ 4.09Å; K121-F123 HydrophobicContact CD-CZ 4.39Å; K121-H133 WeakPolarHBondContact CA-O 3.49Å; K121-V134 HydrophobicContact CG-CG1 4.29Å; K121-V134 HydrophobicContact CG-CG2 4.19Å
122	V	98.8	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	-179.5	-177.4	0	0	0	0	109.2	R111 V113 L132 H133 F135 L156 L171	R111-V122 HydrophobicContact CB-CG1 4.49Å; R111-V122 HydrophobicContact CG-CG1 4.43Å; V113-V122 HydrophobicContact CG1-CG2 4.33Å; V113-V122 HydrophobicContact CG2-CG1 4.2Å; V113-V122 HydrophobicContact CG2-CG2 4.1Å; V122-L132 PolarHBondContact O-N 3.25Å; V122-H133 HydrophobicContact CB-CB 4.17Å; V122-H133 HydrophobicContact CG2-CB 4.38Å; V122-H133 PolarHBondContact N-O 3.28Å; V122-H133 PolarHBondContact O-N 3.35Å; V122-F135 HydrophobicContact CG2-CD2 4.22Å; V122-F135 HydrophobicContact CG2-CE2 3.78Å; V122-L156 HydrophobicContact CG2-CD2 4.2Å; V122-L171 HydrophobicContact CG1-CD1 4.21Å; V122-L171 HydrophobicContact CG1-CD2 4.47Å; V122-L171 HydrophobicContact CG2-CD2 4.09Å
123	F	98.8	Very high	97.9	Very high	16 Å²	16	46.3 Å²	46.3	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.5	-180	-59.8	-102	0	0	0	111.2	I96 F98 R111 I112 V114 K121 P129 H130 Q131	I96-F123 HydrophobicContact CD1-CD1 4.36Å; I96-F123 HydrophobicContact CD1-CD2 4.41Å; I96-F123 HydrophobicContact CD1-CG 4.2Å; I96-F123 HydrophobicContact CG2-CE1 4.08Å; I96-F123 HydrophobicContact CG2-CE2 4.47Å; I96-F123 HydrophobicContact CG2-CZ 3.99Å; F98-F123 AromaticContact CE1-CE2 3.8Å; F98-F123 HydrophobicContact CE1-CE2 3.8Å; F98-F123 AromaticContact CE1-CZ 3.73Å; F98-F123 HydrophobicContact CE1-CZ 3.73Å; F98-F123 AromaticContact CZ-CE2 3.71Å; F98-F123 HydrophobicContact CZ-CE2 3.71Å; F98-F123 AromaticContact CZ-CZ 3.86Å; F98-F123 HydrophobicContact CZ-CZ 3.86Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.25Å; I112-F123 HydrophobicContact CB-CB 4.34Å; I112-F123 PolarHBondContact N-O 2.79Å; I112-F123 PolarHBondContact O-N 3.18Å; V114-F123 HydrophobicContact CG2-CD2 4.42Å; V114-F123 HydrophobicContact CG2-CE2 4.31Å; K121-F123 HydrophobicContact CB-CD2 4.4Å; K121-F123 HydrophobicContact CB-CE2 3.54Å; K121-F123 HydrophobicContact CB-CZ 4.09Å; K121-F123 HydrophobicContact CD-CZ 4.39Å; F123-P129 HydrophobicContact CB-CB 4.13Å; F123-P129 HydrophobicContact CD1-CB 4.38Å; F123-H130 CarbonylContact C-O 3.5Å; F123-H130 WeakPolarHBondContact CA-O 3.39Å; F123-Q131 HydrophobicContact CD1-CB 3.86Å; F123-Q131 HydrophobicContact CD1-CG 4.36Å; F123-Q131 HydrophobicContact CE1-CB 3.6Å; F123-Q131 HydrophobicContact CE1-CG 3.93Å; F123-Q131 HydrophobicContact CZ-CB 4.26Å; F123-Q131 HydrophobicContact CZ-CG 4.08Å
124	T	98.1	Very high	97.8	Very high	24 Å²	24	49.6 Å²	49.6	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.3	165.3	59	0	0	0	0	110.7	T126 P129 H130 L132	T124-T126 PolarHBondContact O-N 2.87Å; T124-T126 PolarHBondContact OG1-OG1 2.82Å; T124-P129 WeakPolarHBondContact O-CB 3.16Å; T124-H130 HydrophobicContact CG2-CB 4.44Å; T124-H130 PolarHBondContact N-O 3.14Å; T124-H130 PolarHBondContact OG1-N 3.46Å; T124-L132 HydrophobicContact CG2-CD1 3.81Å; T124-L132 HydrophobicContact CG2-CD2 3.75Å; T124-L132 HydrophobicContact CG2-CG 3.91Å
125	F	97.3	Very high	97.8	Very high	34 Å²	34	51.1 Å²	51.1	15%	0.149	26%	0.263	C	S	.	.			trans	-90.7	76.8	170.1	-163.7	36	0	0	0	111.4	L60 Y65 I84 I94 D110 I112	L60-F125 HydrophobicContact CD2-CD2 4.07Å; L60-F125 HydrophobicContact CD2-CE2 3.47Å; L60-F125 VanDerWaalsContact CD2-CE2 3.47Å; L60-F125 HydrophobicContact CD2-CZ 4.42Å; Y65-F125 HydrophobicContact CD2-CE2 4.19Å; Y65-F125 HydrophobicContact CD2-CZ 4.18Å; Y65-F125 HydrophobicContact CG-CE2 4.41Å; Y65-F125 AromaticContact CG-CZ 3.98Å; Y65-F125 HydrophobicContact CG-CZ 3.98Å; I84-F125 HydrophobicContact CD1-CE1 4.28Å; I84-F125 HydrophobicContact CG1-CE1 4.07Å; I84-F125 HydrophobicContact CG2-CE1 3.81Å; I84-F125 HydrophobicContact CG2-CZ 3.94Å; I94-F125 HydrophobicContact CD1-CD1 4.11Å; I94-F125 HydrophobicContact CD1-CE1 3.89Å; D110-F125 PolarHBondContact O-N 3.4Å; I112-F125 HydrophobicContact CD1-CD1 3.55Å; I112-F125 HydrophobicContact CD1-CE1 4.02Å; I112-F125 HydrophobicContact CG1-CB 4.24Å; I112-F125 HydrophobicContact CG1-CD1 3.4Å; I112-F125 VanDerWaalsContact CG1-CD1 3.4Å; I112-F125 HydrophobicContact CG1-CE1 4.01Å; I112-F125 HydrophobicContact CG1-CG 4.09Å
126	T	96.8	Very high	97.7	Very high	64 Å²	64	58 Å²	58	39%	0.393	30%	0.295	S	S	.	.	S	Bend	trans	-132.1	164.5	-177.4	47.3	0	0	0	0	110.2	I94 T124 N128 P129	I94-T126 WeakPolarHBondContact CD1-O 3.27Å; T124-T126 PolarHBondContact O-N 2.87Å; T124-T126 PolarHBondContact OG1-OG1 2.82Å; T126-N128 PolarHBondContact O-N 3.37Å; T126-N128 VanDerWaalsContact O-N 3.16Å; T126-N128 PolarHBondContact OG1-O 3.26Å; T126-P129 WeakPolarHBondContact O-CD 3.33Å
127	H	93.4	Very high	97.7	Very high	163 Å²	163	58.3 Å²	58.3	76%	0.755	30%	0.297	S	S	*	.	S	Bend	trans	-57.5	-30.9	178.1	-169.1	-58.7	0	0	0	112.9
128	N	96.6	Very high	97.7	Very high	109 Å²	109	58 Å²	58	58%	0.583	30%	0.298	S	S	*	.	S	Bend	trans	-116.4	96.3	166.4	-171.1	33.5	0	0	0	108.3	T126 H130	T126-N128 PolarHBondContact O-N 3.37Å; T126-N128 VanDerWaalsContact O-N 3.16Å; T126-N128 PolarHBondContact OG1-O 3.26Å; N128-H130 PolarHBondContact O-CE1 2.82Å; N128-H130 PolarHBondContact O-ND1 3.25Å
129	P	98.3	Very high	97.7	Very high	25 Å²	25	62.6 Å²	62.6	16%	0.162	31%	0.307	C	S	.	.			trans	-65.7	133.8	-179.5	-20.8	31.4	0	0	0	112	I94 I96 I112 F123 T124 T126	I94-P129 HydrophobicContact CD1-CG 4.34Å; I94-P129 HydrophobicContact CG1-CG 4.44Å; I94-P129 HydrophobicContact CG2-CG 3.32Å; I96-P129 HydrophobicContact CD1-CB 3.93Å; I96-P129 HydrophobicContact CD1-CG 3.95Å; I96-P129 HydrophobicContact CG1-CG 4.21Å; I112-P129 HydrophobicContact CD1-CG 4.31Å; F123-P129 HydrophobicContact CB-CB 4.13Å; F123-P129 HydrophobicContact CD1-CB 4.38Å; T124-P129 WeakPolarHBondContact O-CB 3.16Å; T126-P129 WeakPolarHBondContact O-CD 3.33Å
130	H	98.2	Very high	97.7	Very high	109 Å²	109	59.4 Å²	59.4	51%	0.505	29%	0.292	S	S	.	.			trans	-108.6	135	172.4	-63.2	79.1	0	0	0	109.4	F123 T124 N128 L132	F123-H130 CarbonylContact C-O 3.5Å; F123-H130 WeakPolarHBondContact CA-O 3.39Å; T124-H130 HydrophobicContact CG2-CB 4.44Å; T124-H130 PolarHBondContact N-O 3.14Å; T124-H130 PolarHBondContact OG1-N 3.46Å; N128-H130 PolarHBondContact O-CE1 2.82Å; N128-H130 PolarHBondContact O-ND1 3.25Å; H130-L132 PolarHBondContact O-N 3.49Å
131	Q	98.5	Very high	97.5	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	124.6	173.9	-166.3	-174.5	-93.3	0	0	109	F123 V134	F123-Q131 HydrophobicContact CD1-CB 3.86Å; F123-Q131 HydrophobicContact CD1-CG 4.36Å; F123-Q131 HydrophobicContact CE1-CB 3.6Å; F123-Q131 HydrophobicContact CE1-CG 3.93Å; F123-Q131 HydrophobicContact CZ-CB 4.26Å; F123-Q131 HydrophobicContact CZ-CG 4.08Å; Q131-V134 HydrophobicContact CG-CG2 4.46Å
132	L	98	Very high	97.4	Very high	67 Å²	67	64.5 Å²	64.5	35%	0.351	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-48.9	-179.6	-62.4	176.2	0	0	0	111.4	V122 T124 H130	V122-L132 PolarHBondContact O-N 3.25Å; T124-L132 HydrophobicContact CG2-CD1 3.81Å; T124-L132 HydrophobicContact CG2-CD2 3.75Å; T124-L132 HydrophobicContact CG2-CG 3.91Å; H130-L132 PolarHBondContact O-N 3.49Å
133	H	97.9	Very high	97.3	Very high	48 Å²	48	64.8 Å²	64.8	22%	0.222	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154	-172.6	-51.6	-68.7	0	0	0	111.6	K121 V122 F135 T174	K121-H133 WeakPolarHBondContact CA-O 3.49Å; V122-H133 HydrophobicContact CB-CB 4.17Å; V122-H133 HydrophobicContact CG2-CB 4.38Å; V122-H133 PolarHBondContact N-O 3.28Å; V122-H133 PolarHBondContact O-N 3.35Å; H133-F135 HydrophobicContact CB-CE2 3.77Å; H133-F135 HydrophobicContact CB-CZ 3.74Å; H133-T174 PolarHBondContact CE1-OG1 2.86Å; H133-T174 VanDerWaalsContact CE1-OG1 3.25Å
134	V	98	Very high	97.3	Very high	68 Å²	68	65.2 Å²	65.2	41%	0.412	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.9	168.8	-174.2	0	0	0	0	107.3	M119 I120 K121 Q131	M119-V134 HydrophobicContact CB-CG1 4.29Å; M119-V134 HydrophobicContact SD-CG1 4.27Å; I120-V134 CarbonylContact O-C 3.54Å; I120-V134 WeakPolarHBondContact O-CA 3.39Å; K121-V134 HydrophobicContact CG-CG1 4.29Å; K121-V134 HydrophobicContact CG-CG2 4.19Å; Q131-V134 HydrophobicContact CG-CG2 4.46Å
135	F	98.2	Very high	97.3	Very high	33 Å²	33	64.3 Å²	64.3	15%	0.145	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.6	175.3	-56.7	-71.3	0	0	0	109	M119 I120 V122 H133 L156 F158 V169 L171 T174	M119-F135 CarbonylContact C-O 3.52Å; M119-F135 WeakPolarHBondContact CA-O 3.16Å; M119-F135 WeakPolarHBondContact CB-O 3.27Å; I120-F135 PolarHBondContact N-O 3.5Å; I120-F135 PolarHBondContact O-N 2.96Å; V122-F135 HydrophobicContact CG2-CD2 4.22Å; V122-F135 HydrophobicContact CG2-CE2 3.78Å; H133-F135 HydrophobicContact CB-CE2 3.77Å; H133-F135 HydrophobicContact CB-CZ 3.74Å; F135-L156 HydrophobicContact CD2-CD2 3.97Å; F135-L156 HydrophobicContact CE2-CD2 3.91Å; F135-F158 HydrophobicContact CB-CE1 4.42Å; F135-F158 HydrophobicContact CB-CE2 3.85Å; F135-F158 HydrophobicContact CB-CZ 3.56Å; F135-F158 HydrophobicContact CD1-CZ 4.23Å; F135-F158 HydrophobicContact CD2-CE1 4.35Å; F135-F158 HydrophobicContact CD2-CZ 4.21Å; F135-F158 HydrophobicContact CG-CE1 4.33Å; F135-F158 AromaticContact CG-CZ 3.74Å; F135-F158 HydrophobicContact CG-CZ 3.74Å; F135-V169 HydrophobicContact CD1-CG2 4.23Å; F135-V169 HydrophobicContact CE1-CB 4.41Å; F135-V169 HydrophobicContact CE1-CG1 3.85Å; F135-V169 HydrophobicContact CE1-CG2 3.98Å; F135-V169 HydrophobicContact CZ-CB 4.35Å; F135-V169 HydrophobicContact CZ-CG1 3.71Å; F135-V169 HydrophobicContact CZ-CG2 4.37Å; F135-L171 HydrophobicContact CE2-CD2 3.75Å; F135-L171 HydrophobicContact CZ-CD2 3.96Å; F135-T174 HydrophobicContact CZ-CG2 4.31Å
136	E	97.5	Very high	97.4	Very high	144 Å²	144	64 Å²	64	67%	0.673	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.9	173.3	-64.8	-177.5	167.2	0	0	110.2	T161	E136-T161 HydrophobicContact CB-CG2 4.17Å
137	T	98	Very high	97.4	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.067	31%	0.308	C	S	.	.			trans	-128.4	161.3	174.7	71.1	0	0	0	0	109.3	S118 I120 F158 P159	S118-T137 WeakPolarHBondContact CA-OG1 3.44Å; S118-T137 PolarHBondContact O-N 3.28Å; I120-T137 HydrophobicContact CD1-CG2 3.93Å; I120-T137 HydrophobicContact CG1-CG2 3.94Å; T137-F158 HydrophobicContact CG2-CD2 3.66Å; T137-F158 HydrophobicContact CG2-CE2 4.15Å; T137-P159 WeakPolarHBondContact CB-O 3.26Å
138	C	96.7	Very high	97.6	Very high	30 Å²	30	54.1 Å²	54.1	20%	0.203	27%	0.272	C	S	.	.	S	Bend	trans	-61.1	173.5	157	64.3	0	0	0	0	110.2	N140 G160	C138-N140 PolarHBondContact O-N 3.13Å; C138-G160 WeakPolarHBondContact CB-O 2.88Å; C138-G160 PolarHBondContact N-O 2.85Å; C138-G160 PolarHBondContact SG-O 3.01Å
139	Y	97.2	Very high	97.5	Very high	154 Å²	154	50.1 Å²	50.1	60%	0.604	25%	0.252	S	S	*	.			trans	-56.8	117.4	177.3	-177.5	-123.4	0	0	0	110.8	D117 P141	D117-Y139 HydrophobicContact CB-CD2 4.2Å; D117-Y139 HydrophobicContact CB-CE2 3.99Å; D117-Y139 CarbonylContact O-C 3.58Å; D117-Y139 WeakPolarHBondContact O-CA 3.27Å; Y139-P141 HydrophobicContact CD1-CG 3.97Å; Y139-P141 HydrophobicContact CE1-CB 3.84Å; Y139-P141 HydrophobicContact CE1-CG 3.6Å; Y139-P141 HydrophobicContact CE2-CB 4.39Å; Y139-P141 VanDerWaalsContact O-CD 3.26Å; Y139-P141 WeakPolarHBondContact O-CD 3.43Å
140	N	97.5	Very high	97.3	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	25%	0.253	C	S	.	.			trans	-122.6	61.3	-169.1	-171.6	11.9	0	0	0	112	V115 D117 C138 K142 G143 L144	V115-N140 WeakPolarHBondContact CG1-ND2 3.43Å; D117-N140 PolarHBondContact O-N 2.75Å; C138-N140 PolarHBondContact O-N 3.13Å; N140-K142 PolarHBondContact O-N 2.77Å; N140-G143 PolarHBondContact O-N 2.82Å; N140-G143 PolarHBondContact OD1-N 3.01Å; N140-L144 PolarHBondContact ND2-N 2.89Å; N140-L144 PolarHBondContact ND2-O 3.33Å; N140-L144 WeakPolarHBondContact OD1-CB 3.33Å; N140-L144 PolarHBondContact OD1-N 2.96Å
141	P	95.8	Very high	97	Very high	64 Å²	64	49.3 Å²	49.3	42%	0.416	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.7	-173.4	27.3	-36	0	0	0	113.4	Y139 G143	Y139-P141 HydrophobicContact CD1-CG 3.97Å; Y139-P141 HydrophobicContact CE1-CB 3.84Å; Y139-P141 HydrophobicContact CE1-CG 3.6Å; Y139-P141 HydrophobicContact CE2-CB 4.39Å; Y139-P141 VanDerWaalsContact O-CD 3.26Å; Y139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-G143 VanDerWaalsContact C-N 3.28Å
142	K	95.6	Very high	96.8	Very high	91 Å²	91	51.7 Å²	51.7	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.1	177.7	-69.1	177.7	-178.8	165.5	0	112.9	N140 L144 E205	N140-K142 PolarHBondContact O-N 2.77Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD2 4.06Å; K142-L144 HydrophobicContact CB-CG 4.03Å; K142-L144 PolarHBondContact O-N 2.93Å; K142-E205 IonicContact NZ-OE1 2.82Å; K142-E205 PolarHBondContact NZ-OE1 2.73Å
143	G	97.6	Very high	96.7	Very high	6 Å²	6	50.3 Å²	50.3	6%	0.062	27%	0.265	C	S	.	.			trans	62.4	35.4	-177	0	0	0	0	0	112.9	A104 N140 P141 C145	A104-G143 VanDerWaalsContact CB-O 3.23Å; A104-G143 WeakPolarHBondContact CB-O 3.48Å; N140-G143 PolarHBondContact O-N 2.82Å; N140-G143 PolarHBondContact OD1-N 3.01Å; P141-G143 VanDerWaalsContact C-N 3.28Å; G143-C145 PolarHBondContact O-N 3.13Å; G143-C145 VanDerWaalsContact O-N 3.14Å
144	L	98.3	Very high	96.6	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.131	26%	0.258	C	S	.	.			trans	-64.2	116.2	-179.1	-61.5	-176	0	0	0	109.8	N140 K142 P159 L188 I191	N140-L144 PolarHBondContact ND2-N 2.89Å; N140-L144 PolarHBondContact ND2-O 3.33Å; N140-L144 WeakPolarHBondContact OD1-CB 3.33Å; N140-L144 PolarHBondContact OD1-N 2.96Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD2 4.06Å; K142-L144 HydrophobicContact CB-CG 4.03Å; K142-L144 PolarHBondContact O-N 2.93Å; L144-P159 HydrophobicContact CB-CG 3.74Å; L144-P159 HydrophobicContact CD1-CG 4.17Å; L144-P159 WeakPolarHBondContact O-CD 3.24Å; L144-L188 HydrophobicContact CD1-CB 3.92Å; L144-L188 WeakPolarHBondContact CD1-O 3.48Å; L144-I191 HydrophobicContact CB-CD1 4.2Å
145	C	98.5	Very high	96.6	Very high	6 Å²	6	46 Å²	46	4%	0.041	24%	0.242	C	C	.	.			trans	-166.6	131.4	177.6	178.4	0	0	0	0	107.6	K106 V115 I120 G143 L156 A157	K106-C145 VanDerWaalsContact CE-O 3.27Å; K106-C145 WeakPolarHBondContact CE-O 3.35Å; K106-C145 HydrophobicContact CG-CB 4.46Å; V115-C145 HydrophobicContact CG2-CB 3.36Å; I120-C145 HydrophobicContact CD1-CB 4.19Å; G143-C145 PolarHBondContact O-N 3.13Å; G143-C145 VanDerWaalsContact O-N 3.14Å; C145-L156 VanDerWaalsContact SG-CD1 3.52Å; C145-A157 WeakPolarHBondContact CA-O 3.44Å
146	V	98.5	Very high	96.7	Very high	28 Å²	28	44.4 Å²	44.4	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.8	172.5	-63.7	0	0	0	0	109.6	A157 I191 L193	V146-A157 HydrophobicContact CG2-CB 3.73Å; V146-A157 PolarHBondContact N-O 2.8Å; V146-A157 PolarHBondContact O-N 3.01Å; V146-I191 VanDerWaalsContact CG1-O 3.23Å; V146-I191 WeakPolarHBondContact CG1-O 3.18Å; V146-I191 HydrophobicContact CG2-CB 4.47Å; V146-I191 HydrophobicContact CG2-CG2 3.69Å; V146-L193 HydrophobicContact CB-CD1 4.38Å; V146-L193 HydrophobicContact CG2-CB 4.44Å; V146-L193 HydrophobicContact CG2-CD1 3.77Å; V146-L193 HydrophobicContact CG2-CG 3.68Å
147	L	98.1	Very high	96.7	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.1	-174.6	178.8	55.3	0	0	0	107.6	K106 R108 V113 L156 L171	K106-L147 HydrophobicContact CB-CB 4Å; K106-L147 HydrophobicContact CB-CD2 4.11Å; R108-L147 HydrophobicContact CB-CD2 4.17Å; R108-L147 VanDerWaalsContact CD-CG 3.42Å; R108-L147 HydrophobicContact CG-CD1 4.3Å; R108-L147 HydrophobicContact CG-CD2 3.47Å; R108-L147 VanDerWaalsContact CG-CD2 3.47Å; R108-L147 HydrophobicContact CG-CG 3.65Å; V113-L147 HydrophobicContact CB-CD2 4.48Å; V113-L147 HydrophobicContact CG2-CD2 3.75Å; L147-L156 HydrophobicContact CB-CD1 4.15Å; L147-L156 HydrophobicContact CD1-CB 4.25Å; L147-L156 HydrophobicContact CD1-CD1 3.9Å; L147-L156 HydrophobicContact CG-CD1 4.5Å; L147-L171 HydrophobicContact CD1-CD1 3.94Å
148	C	97.9	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.			trans	-61.5	127.5	-174.6	-175.8	0	0	0	0	110.5	R108 N150 N153 L155 L193 G197	R108-C148 PolarHBondContact NE-O 3.12Å; C148-N150 VanDerWaalsContact C-N 3.31Å; C148-N153 WeakPolarHBondContact CB-O 3.33Å; C148-L155 HydrophobicContact CB-CB 3.98Å; C148-L155 WeakPolarHBondContact CB-O 3.46Å; C148-L155 PolarHBondContact N-O 2.72Å; C148-L193 HydrophobicContact CB-CD1 4.15Å; C148-G197 WeakPolarHBondContact SG-CA 3.33Å; C148-G197 PolarHBondContact SG-N 3.18Å
149	P	94	Very high	96.9	Very high	25 Å²	25	35.9 Å²	35.9	16%	0.162	19%	0.192	C	C	.	.			trans	-77.6	-17.5	-178.7	32	-35.8	0	0	0	112.8	Q20 F61 S151 L195	Q20-P149 HydrophobicContact CB-CB 3.79Å; Q20-P149 HydrophobicContact CG-CB 4.16Å; F61-P149 HydrophobicContact CE1-CB 4.06Å; F61-P149 HydrophobicContact CZ-CB 3.74Å; F61-P149 WeakPolarHBondContact CZ-O 3.32Å; P149-S151 PolarHBondContact O-N 2.94Å; P149-L195 HydrophobicContact CG-CD2 3.82Å
150	N	94.3	Very high	96.9	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.182	16%	0.163	C	C	.	.			trans	-61.9	135.6	178.2	-171.7	-55.1	0	0	0	111.3	R108 C148 N152 N153 L195 Q196	R108-N150 PolarHBondContact NH2-O 3.05Å; C148-N150 VanDerWaalsContact C-N 3.31Å; N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.04Å; N150-N152 WeakPolarHBondContact OD1-CA 3.41Å; N150-N152 WeakPolarHBondContact OD1-CB 3.3Å; N150-N152 PolarHBondContact OD1-N 3.2Å; N150-N153 HydrophobicContact CB-CB 4.1Å; N150-N153 PolarHBondContact O-N 3.47Å; N150-N153 PolarHBondContact OD1-N 2.76Å; N150-L195 WeakPolarHBondContact CB-O 2.92Å; N150-Q196 PolarHBondContact ND2-OE1 2.9Å
151	S	91.6	Very high	96.9	Very high	82 Å²	82	31.9 Å²	31.9	57%	0.573	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-30	179.2	55.5	0	0	0	0	113.5	P149	P149-S151 PolarHBondContact O-N 2.94Å
152	N	93.7	Very high	96.9	Very high	146 Å²	146	34.2 Å²	34.2	78%	0.781	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-3	-176	-53.6	-17.2	0	0	0	112.3	N150	N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.04Å; N150-N152 WeakPolarHBondContact OD1-CA 3.41Å; N150-N152 WeakPolarHBondContact OD1-CB 3.3Å; N150-N152 PolarHBondContact OD1-N 3.2Å
153	N	96.1	Very high	97	Very high	38 Å²	38	33.8 Å²	33.8	20%	0.203	19%	0.194	C	C	.	.			trans	-129.7	110.3	176.8	-172.7	-2.3	0	0	0	110.1	R108 C148 N150 L155 Q196 G197	R108-N153 PolarHBondContact NH2-O 3.26Å; C148-N153 WeakPolarHBondContact CB-O 3.33Å; N150-N153 HydrophobicContact CB-CB 4.1Å; N150-N153 PolarHBondContact O-N 3.47Å; N150-N153 PolarHBondContact OD1-N 2.76Å; N153-L155 VanDerWaalsContact C-N 3.31Å; N153-L155 PolarHBondContact O-N 3.24Å; N153-L155 VanDerWaalsContact OD1-CB 3.29Å; N153-L155 WeakPolarHBondContact OD1-CB 3.44Å; N153-L155 PolarHBondContact OD1-N 2.72Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; N153-Q196 PolarHBondContact ND2-O 2.91Å; N153-G197 PolarHBondContact ND2-O 3.1Å
154	S	96.4	Very high	97	Very high	11 Å²	11	33.6 Å²	33.6	8%	0.077	19%	0.192	C	C	.	.			trans	-93.3	23.6	-179.3	28	0	0	0	0	113.7	L156 D170 L171 A172	S154-L156 PolarHBondContact O-N 2.81Å; S154-D170 WeakPolarHBondContact CB-OD1 3.45Å; S154-D170 PolarHBondContact OG-OD1 3.3Å; S154-L171 WeakPolarHBondContact O-CG 3.15Å; S154-L171 PolarHBondContact O-N 2.59Å; S154-A172 WeakPolarHBondContact OG-CB 3.22Å; S154-A172 PolarHBondContact OG-N 2.91Å
155	L	98.4	Very high	97	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	123	-179.1	-163.6	70.4	0	0	0	111.9	C148 N153 L168 V169 L193 G197 T215	C148-L155 HydrophobicContact CB-CB 3.98Å; C148-L155 WeakPolarHBondContact CB-O 3.46Å; C148-L155 PolarHBondContact N-O 2.72Å; N153-L155 VanDerWaalsContact C-N 3.31Å; N153-L155 PolarHBondContact O-N 3.24Å; N153-L155 VanDerWaalsContact OD1-CB 3.29Å; N153-L155 WeakPolarHBondContact OD1-CB 3.44Å; N153-L155 PolarHBondContact OD1-N 2.72Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; L155-L168 HydrophobicContact CD1-CB 3.97Å; L155-V169 CarbonylContact C-O 3.56Å; L155-V169 WeakPolarHBondContact CA-O 3.43Å; L155-L193 HydrophobicContact CD2-CD1 4.42Å; L155-L193 HydrophobicContact CD2-CD2 3.96Å; L155-G197 WeakPolarHBondContact CD2-O 3.13Å; L155-T215 HydrophobicContact CD2-CG2 3.72Å
156	L	98.7	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.2	169.7	-177.6	71.5	0	0	0	108.1	V113 I120 V122 F135 C145 L147 S154 F158 L168 V169 L171	V113-L156 HydrophobicContact CG1-CD1 3.95Å; V113-L156 HydrophobicContact CG1-CD2 4.39Å; V113-L156 HydrophobicContact CG2-CD1 4.3Å; I120-L156 HydrophobicContact CG2-CD2 4.27Å; V122-L156 HydrophobicContact CG2-CD2 4.2Å; F135-L156 HydrophobicContact CD2-CD2 3.97Å; F135-L156 HydrophobicContact CE2-CD2 3.91Å; C145-L156 VanDerWaalsContact SG-CD1 3.52Å; L147-L156 HydrophobicContact CB-CD1 4.15Å; L147-L156 HydrophobicContact CD1-CB 4.25Å; L147-L156 HydrophobicContact CD1-CD1 3.9Å; L147-L156 HydrophobicContact CG-CD1 4.5Å; S154-L156 PolarHBondContact O-N 2.81Å; L156-F158 HydrophobicContact CD2-CD1 3.96Å; L156-F158 HydrophobicContact CD2-CE1 3.72Å; L156-F158 HydrophobicContact CG-CD1 3.79Å; L156-F158 HydrophobicContact CG-CE1 3.9Å; L156-L168 WeakPolarHBondContact O-CA 3.36Å; L156-V169 PolarHBondContact N-O 3.02Å; L156-V169 PolarHBondContact O-N 3.43Å; L156-L171 HydrophobicContact CB-CD1 4.11Å; L156-L171 HydrophobicContact CB-CD2 4.15Å; L156-L171 HydrophobicContact CB-CG 3.97Å; L156-L171 HydrophobicContact CD2-CD1 4.46Å; L156-L171 HydrophobicContact CD2-CD2 3.96Å
157	A	98.8	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134	179.7	0	0	0	0	0	111.8	C145 V146 V166 Q167 L168 L193 I200	C145-A157 WeakPolarHBondContact CA-O 3.44Å; V146-A157 HydrophobicContact CG2-CB 3.73Å; V146-A157 PolarHBondContact N-O 2.8Å; V146-A157 PolarHBondContact O-N 3.01Å; A157-V166 HydrophobicContact CB-CG1 4.29Å; A157-Q167 VanDerWaalsContact CA-O 3.31Å; A157-Q167 WeakPolarHBondContact CA-O 3.43Å; A157-L168 HydrophobicContact CB-CD2 3.25Å; A157-L193 HydrophobicContact CB-CD1 4.43Å; A157-I200 HydrophobicContact CB-CD1 3.59Å
158	F	98.8	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	165.5	-174.2	49.7	-87.7	0	0	0	111.4	I120 F135 T137 L156 G160 V166 Q167 V169	I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.84Å; I120-F158 HydrophobicContact CD1-CD2 3.8Å; I120-F158 HydrophobicContact CD1-CG 3.37Å; F135-F158 HydrophobicContact CB-CE1 4.42Å; F135-F158 HydrophobicContact CB-CE2 3.85Å; F135-F158 HydrophobicContact CB-CZ 3.56Å; F135-F158 HydrophobicContact CD1-CZ 4.23Å; F135-F158 HydrophobicContact CD2-CE1 4.35Å; F135-F158 HydrophobicContact CD2-CZ 4.21Å; F135-F158 HydrophobicContact CG-CE1 4.33Å; F135-F158 AromaticContact CG-CZ 3.74Å; F135-F158 HydrophobicContact CG-CZ 3.74Å; T137-F158 HydrophobicContact CG2-CD2 3.66Å; T137-F158 HydrophobicContact CG2-CE2 4.15Å; L156-F158 HydrophobicContact CD2-CD1 3.96Å; L156-F158 HydrophobicContact CD2-CE1 3.72Å; L156-F158 HydrophobicContact CG-CD1 3.79Å; L156-F158 HydrophobicContact CG-CE1 3.9Å; F158-G160 PolarHBondContact O-N 2.87Å; F158-V166 WeakPolarHBondContact O-CA 3.17Å; F158-Q167 HydrophobicContact CD2-CB 4.26Å; F158-Q167 HydrophobicContact CE2-CB 3.92Å; F158-Q167 HydrophobicContact CE2-CG 4.23Å; F158-Q167 HydrophobicContact CZ-CB 4.22Å; F158-Q167 HydrophobicContact CZ-CG 4.2Å; F158-Q167 PolarHBondContact N-O 2.87Å; F158-Q167 VanDerWaalsContact N-O 3.08Å; F158-Q167 PolarHBondContact O-N 2.85Å; F158-V169 HydrophobicContact CE1-CG2 3.97Å; F158-V169 HydrophobicContact CZ-CG2 3.92Å
159	P	98.6	Very high	97	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	125.9	172.3	-23.8	34.5	0	0	0	111.4	T137 L144 H165 L188 I191	T137-P159 WeakPolarHBondContact CB-O 3.26Å; L144-P159 HydrophobicContact CB-CG 3.74Å; L144-P159 HydrophobicContact CD1-CG 4.17Å; L144-P159 WeakPolarHBondContact O-CD 3.24Å; P159-H165 WeakPolarHBondContact CA-O 3.21Å; P159-L188 HydrophobicContact CB-CD1 4.19Å; P159-L188 HydrophobicContact CG-CD1 4.28Å; P159-I191 HydrophobicContact CG-CD1 4.17Å
160	G	97.6	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.			trans	-69.5	-175.5	174.8	0	0	0	0	0	112.3	C138 F158 H162 H165	C138-G160 WeakPolarHBondContact CB-O 2.88Å; C138-G160 PolarHBondContact N-O 2.85Å; C138-G160 PolarHBondContact SG-O 3.01Å; F158-G160 PolarHBondContact O-N 2.87Å; G160-H162 VanDerWaalsContact C-N 3.28Å; G160-H162 PolarHBondContact O-N 2.87Å; G160-H165 PolarHBondContact N-O 3.24Å
161	T	97.1	Very high	97.4	Very high	74 Å²	74	34 Å²	34	45%	0.454	19%	0.19	S	C	.	.	S	Bend	trans	-71.4	-22.9	176.6	51.8	0	0	0	0	113.1	E136	E136-T161 HydrophobicContact CB-CG2 4.17Å
162	H	96.8	Very high	97.5	Very high	114 Å²	114	33.6 Å²	33.6	53%	0.528	19%	0.191	S	C	.	.	S	Bend	trans	-93	138.3	173.7	-60	101.8	0	0	0	111.6	G160 G164 H165	G160-H162 VanDerWaalsContact C-N 3.28Å; G160-H162 PolarHBondContact O-N 2.87Å; H162-G164 PolarHBondContact O-N 2.82Å; H162-H165 HydrophobicContact CB-CB 4.25Å; H162-H165 WeakPolarHBondContact O-CB 3.31Å; H162-H165 PolarHBondContact O-N 2.94Å; H162-H165 VanDerWaalsContact O-N 3.16Å
163	T	97.1	Very high	97.6	Very high	81 Å²	81	27.4 Å²	27.4	50%	0.497	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	130.3	177.1	-63.8	0	0	0	0	111.1	H165 V187	T163-H165 PolarHBondContact O-N 3.44Å; T163-V187 HydrophobicContact CG2-CG2 3.92Å
164	G	97.8	Very high	97.5	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-4	176.1	0	0	0	0	0	115.1	H162 A183 H184 G186	H162-G164 PolarHBondContact O-N 2.82Å; G164-A183 PolarHBondContact O-N 2.73Å; G164-A183 VanDerWaalsContact O-N 3.16Å; G164-H184 CarbonylContact C-O 3.42Å; G164-H184 VanDerWaalsContact CA-O 3.28Å; G164-H184 WeakPolarHBondContact CA-O 3.34Å; G164-H184 PolarHBondContact O-N 3.08Å; G164-G186 WeakPolarHBondContact CA-O 3.27Å
165	H	98.6	Very high	97.4	Very high	42 Å²	42	34.2 Å²	34.2	19%	0.194	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.5	174.2	-74	-133.9	0	0	0	111.9	P159 G160 H162 T163 D180 I181 L188	P159-H165 WeakPolarHBondContact CA-O 3.21Å; G160-H165 PolarHBondContact N-O 3.24Å; H162-H165 HydrophobicContact CB-CB 4.25Å; H162-H165 WeakPolarHBondContact O-CB 3.31Å; H162-H165 PolarHBondContact O-N 2.94Å; H162-H165 VanDerWaalsContact O-N 3.16Å; T163-H165 PolarHBondContact O-N 3.44Å; H165-D180 IonicContact CE1-OD2 3.95Å; H165-D180 PolarHBondContact CE1-OD2 2.9Å; H165-D180 IonicContact CG-OD1 3.27Å; H165-D180 IonicContact CG-OD2 3.84Å; H165-D180 IonicContact ND1-OD1 3.02Å; H165-D180 PolarHBondContact ND1-OD1 2.84Å; H165-D180 IonicContact ND1-OD2 3.32Å; H165-D180 PolarHBondContact ND1-OD2 3.45Å; H165-I181 CarbonylContact C-O 3.58Å; H165-I181 WeakPolarHBondContact CA-O 3.41Å; H165-L188 VanDerWaalsContact O-CD1 3.25Å; H165-L188 WeakPolarHBondContact O-CD1 3.13Å
166	V	98.7	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.1	168.3	-178.8	0	0	0	0	109	A157 F158 L168 I181 A183 L188 I191 I200 T202	A157-V166 HydrophobicContact CB-CG1 4.29Å; F158-V166 WeakPolarHBondContact O-CA 3.17Å; V166-L168 HydrophobicContact CG1-CD2 3.91Å; V166-I181 PolarHBondContact N-O 3.03Å; V166-I181 PolarHBondContact O-N 3.39Å; V166-A183 HydrophobicContact CG2-CB 4.06Å; V166-L188 HydrophobicContact CG2-CD1 3.41Å; V166-L188 VanDerWaalsContact CG2-CD1 3.41Å; V166-L188 HydrophobicContact CG2-CD2 4.32Å; V166-I191 HydrophobicContact CG1-CD1 4.43Å; V166-I191 HydrophobicContact CG2-CD1 4.17Å; V166-I191 HydrophobicContact CG2-CG1 4.5Å; V166-I200 HydrophobicContact CG1-CD1 3.77Å; V166-T202 HydrophobicContact CG2-CG2 3.76Å
167	Q	98.4	Very high	97	Very high	37 Å²	37	45 Å²	45	17%	0.173	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.4	174	-165.5	166	23.1	0	0	109.9	A157 F158 V169 P178	A157-Q167 VanDerWaalsContact CA-O 3.31Å; A157-Q167 WeakPolarHBondContact CA-O 3.43Å; F158-Q167 HydrophobicContact CD2-CB 4.26Å; F158-Q167 HydrophobicContact CE2-CB 3.92Å; F158-Q167 HydrophobicContact CE2-CG 4.23Å; F158-Q167 HydrophobicContact CZ-CB 4.22Å; F158-Q167 HydrophobicContact CZ-CG 4.2Å; F158-Q167 PolarHBondContact N-O 2.87Å; F158-Q167 VanDerWaalsContact N-O 3.08Å; F158-Q167 PolarHBondContact O-N 2.85Å; Q167-V169 HydrophobicContact CG-CG2 4.46Å; Q167-P178 HydrophobicContact CG-CB 3.82Å; Q167-P178 HydrophobicContact CG-CG 4.37Å; Q167-P178 VanDerWaalsContact NE2-CG 3.35Å
168	L	98.6	Very high	96.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.3	177	-49.2	178.9	0	0	0	110	L155 L156 A157 V166 P178 V179 I181 I200 T215	L155-L168 HydrophobicContact CD1-CB 3.97Å; L156-L168 WeakPolarHBondContact O-CA 3.36Å; A157-L168 HydrophobicContact CB-CD2 3.25Å; V166-L168 HydrophobicContact CG1-CD2 3.91Å; L168-P178 VanDerWaalsContact O-CA 3.27Å; L168-P178 WeakPolarHBondContact O-CA 3.23Å; L168-P178 WeakPolarHBondContact O-CB 3.37Å; L168-V179 HydrophobicContact CB-CB 4.11Å; L168-V179 HydrophobicContact CD1-CB 4.2Å; L168-V179 HydrophobicContact CD1-CG1 4.31Å; L168-V179 HydrophobicContact CG-CB 4.41Å; L168-V179 PolarHBondContact N-O 3.14Å; L168-V179 PolarHBondContact O-N 3.41Å; L168-I181 HydrophobicContact CD1-CD1 3.67Å; L168-I181 HydrophobicContact CD1-CG1 4.45Å; L168-I181 HydrophobicContact CG-CD1 4.27Å; L168-I200 HydrophobicContact CD2-CD1 3.62Å; L168-T215 HydrophobicContact CD1-CG2 4.18Å; L168-T215 WeakPolarHBondContact CD1-O 3.33Å
169	V	98.3	Very high	96.8	Very high	9 Å²	9	50 Å²	50	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.8	179.8	-177.2	0	0	0	0	109.5	F135 L155 L156 F158 Q167 L171 T174 P178	F135-V169 HydrophobicContact CD1-CG2 4.23Å; F135-V169 HydrophobicContact CE1-CB 4.41Å; F135-V169 HydrophobicContact CE1-CG1 3.85Å; F135-V169 HydrophobicContact CE1-CG2 3.98Å; F135-V169 HydrophobicContact CZ-CB 4.35Å; F135-V169 HydrophobicContact CZ-CG1 3.71Å; F135-V169 HydrophobicContact CZ-CG2 4.37Å; L155-V169 CarbonylContact C-O 3.56Å; L155-V169 WeakPolarHBondContact CA-O 3.43Å; L156-V169 PolarHBondContact N-O 3.02Å; L156-V169 PolarHBondContact O-N 3.43Å; F158-V169 HydrophobicContact CE1-CG2 3.97Å; F158-V169 HydrophobicContact CZ-CG2 3.92Å; Q167-V169 HydrophobicContact CG-CG2 4.46Å; V169-L171 HydrophobicContact CG1-CD2 4.48Å; V169-T174 HydrophobicContact CG1-CG2 4.12Å; V169-P178 HydrophobicContact CG2-CB 4.03Å
170	D	97.2	Very high	96.8	Very high	49 Å²	49	53.1 Å²	53.1	26%	0.262	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.5	165.9	177.3	13.1	0	0	0	109.9	S154 A172 S173 T174	S154-D170 WeakPolarHBondContact CB-OD1 3.45Å; S154-D170 PolarHBondContact OG-OD1 3.3Å; D170-A172 PolarHBondContact O-N 2.64Å; D170-A172 VanDerWaalsContact O-N 3.15Å; D170-A172 PolarHBondContact OD1-N 3.18Å; D170-S173 CarbonylContact O-C 3.6Å; D170-S173 VanDerWaalsContact O-C 3.28Å; D170-S173 PolarHBondContact O-N 2.7Å; D170-S173 WeakPolarHBondContact OD2-CB 3.39Å; D170-S173 PolarHBondContact OD2-OG 2.84Å; D170-T174 PolarHBondContact O-N 2.94Å
171	L	97.5	Very high	96.9	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9	-179.7	-58.4	176.3	0	0	0	114.3	R111 V113 V122 F135 L147 S154 L156 V169	R111-L171 HydrophobicContact CG-CD1 4.42Å; V113-L171 HydrophobicContact CG2-CD1 4.44Å; V122-L171 HydrophobicContact CG1-CD1 4.21Å; V122-L171 HydrophobicContact CG1-CD2 4.47Å; V122-L171 HydrophobicContact CG2-CD2 4.09Å; F135-L171 HydrophobicContact CE2-CD2 3.75Å; F135-L171 HydrophobicContact CZ-CD2 3.96Å; L147-L171 HydrophobicContact CD1-CD1 3.94Å; S154-L171 WeakPolarHBondContact O-CG 3.15Å; S154-L171 PolarHBondContact O-N 2.59Å; L156-L171 HydrophobicContact CB-CD1 4.11Å; L156-L171 HydrophobicContact CB-CD2 4.15Å; L156-L171 HydrophobicContact CB-CG 3.97Å; L156-L171 HydrophobicContact CD2-CD1 4.46Å; L156-L171 HydrophobicContact CD2-CD2 3.96Å; V169-L171 HydrophobicContact CG1-CD2 4.48Å
172	A	95.2	Very high	96.9	Very high	72 Å²	72	53.8 Å²	53.8	60%	0.595	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-14.4	170.8	0	0	0	0	0	113	S154 D170	S154-A172 WeakPolarHBondContact OG-CB 3.22Å; S154-A172 PolarHBondContact OG-N 2.91Å; D170-A172 PolarHBondContact O-N 2.64Å; D170-A172 VanDerWaalsContact O-N 3.15Å; D170-A172 PolarHBondContact OD1-N 3.18Å
173	S	95	Very high	97	Very high	17 Å²	17	48.4 Å²	48.4	12%	0.119	28%	0.279	C	S	.	.			trans	-137.5	51	-176.4	-44.2	0	0	0	0	111.4	D170 E175 K176	D170-S173 CarbonylContact O-C 3.6Å; D170-S173 VanDerWaalsContact O-C 3.28Å; D170-S173 PolarHBondContact O-N 2.7Å; D170-S173 WeakPolarHBondContact OD2-CB 3.39Å; D170-S173 PolarHBondContact OD2-OG 2.84Å; S173-E175 WeakPolarHBondContact CA-OE1 3.41Å; S173-E175 VanDerWaalsContact CA-OE2 3.29Å; S173-E175 WeakPolarHBondContact CA-OE2 3.45Å; S173-E175 WeakPolarHBondContact CB-OE1 3.2Å; S173-E175 PolarHBondContact O-N 3.29Å; S173-E175 VanDerWaalsContact O-N 3.1Å; S173-K176 WeakPolarHBondContact O-CB 3.46Å; S173-K176 PolarHBondContact O-N 3.05Å; S173-K176 PolarHBondContact OG-NZ 2.97Å
174	T	93.9	Very high	97.1	Very high	52 Å²	52	45 Å²	45	32%	0.319	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.7	-174.1	54.3	0	0	0	0	114.5	H133 F135 V169 D170 K176	H133-T174 PolarHBondContact CE1-OG1 2.86Å; H133-T174 VanDerWaalsContact CE1-OG1 3.25Å; F135-T174 HydrophobicContact CZ-CG2 4.31Å; V169-T174 HydrophobicContact CG1-CG2 4.12Å; D170-T174 PolarHBondContact O-N 2.94Å; T174-K176 VanDerWaalsContact C-N 3.28Å
175	E	93.8	Very high	97	Very high	139 Å²	139	54 Å²	54	65%	0.65	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.1	170.6	71.8	-69.4	163.2	0	0	113.2	S173	S173-E175 WeakPolarHBondContact CA-OE1 3.41Å; S173-E175 VanDerWaalsContact CA-OE2 3.29Å; S173-E175 WeakPolarHBondContact CA-OE2 3.45Å; S173-E175 WeakPolarHBondContact CB-OE1 3.2Å; S173-E175 PolarHBondContact O-N 3.29Å; S173-E175 VanDerWaalsContact O-N 3.1Å
176	K	94.4	Very high	96.9	Very high	126 Å²	126	53.4 Å²	53.4	55%	0.548	30%	0.304	S	S	.	.	S	Bend	trans	-75.4	141.3	174.1	-66.1	177.2	-172.7	152.4	0	109.8	S173 T174	S173-K176 WeakPolarHBondContact O-CB 3.46Å; S173-K176 PolarHBondContact O-N 3.05Å; S173-K176 PolarHBondContact OG-NZ 2.97Å; T174-K176 VanDerWaalsContact C-N 3.28Å
177	P	94.7	Very high	96.8	Very high	116 Å²	116	56.5 Å²	56.5	75%	0.753	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-55.7	137.7	173.6	-24.6	33.9	0	0	0	111.3
178	P	96.6	Very high	96.8	Very high	60 Å²	60	55.1 Å²	55.1	39%	0.39	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.6	150.5	174.7	27.4	-33.5	0	0	0	111	Q167 L168 V169	Q167-P178 HydrophobicContact CG-CB 3.82Å; Q167-P178 HydrophobicContact CG-CG 4.37Å; Q167-P178 VanDerWaalsContact NE2-CG 3.35Å; L168-P178 VanDerWaalsContact O-CA 3.27Å; L168-P178 WeakPolarHBondContact O-CA 3.23Å; L168-P178 WeakPolarHBondContact O-CB 3.37Å; V169-P178 HydrophobicContact CG2-CB 4.03Å
179	V	97.9	Very high	96.8	Very high	44 Å²	44	55.3 Å²	55.3	27%	0.267	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.4	167.5	-177.9	0	0	0	0	107.8	L168 I181	L168-V179 HydrophobicContact CB-CB 4.11Å; L168-V179 HydrophobicContact CD1-CB 4.2Å; L168-V179 HydrophobicContact CD1-CG1 4.31Å; L168-V179 HydrophobicContact CG-CB 4.41Å; L168-V179 PolarHBondContact N-O 3.14Å; L168-V179 PolarHBondContact O-N 3.41Å; V179-I181 HydrophobicContact CG1-CG1 4.04Å
180	D	98	Very high	96.8	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.7	176.3	-175.9	50.8	0	0	0	109.9	H165	H165-D180 IonicContact CE1-OD2 3.95Å; H165-D180 PolarHBondContact CE1-OD2 2.9Å; H165-D180 IonicContact CG-OD1 3.27Å; H165-D180 IonicContact CG-OD2 3.84Å; H165-D180 IonicContact ND1-OD1 3.02Å; H165-D180 PolarHBondContact ND1-OD1 2.84Å; H165-D180 IonicContact ND1-OD2 3.32Å; H165-D180 PolarHBondContact ND1-OD2 3.45Å
181	I	98.7	Very high	96.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114	-175.9	-57.5	179.9	0	0	0	109	H165 V166 L168 V179 A183 I200 F213	H165-I181 CarbonylContact C-O 3.58Å; H165-I181 WeakPolarHBondContact CA-O 3.41Å; V166-I181 PolarHBondContact N-O 3.03Å; V166-I181 PolarHBondContact O-N 3.39Å; L168-I181 HydrophobicContact CD1-CD1 3.67Å; L168-I181 HydrophobicContact CD1-CG1 4.45Å; L168-I181 HydrophobicContact CG-CD1 4.27Å; V179-I181 HydrophobicContact CG1-CG1 4.04Å; I181-A183 HydrophobicContact CG2-CB 4.15Å; I181-A183 PolarHBondContact O-N 3.35Å; I181-I200 HydrophobicContact CD1-CG2 4.17Å; I181-F213 HydrophobicContact CD1-CB 4Å; I181-F213 HydrophobicContact CD1-CG 4.35Å; I181-F213 HydrophobicContact CG2-CD1 3.51Å; I181-F213 HydrophobicContact CG2-CD2 4.13Å; I181-F213 HydrophobicContact CG2-CE1 3.57Å; I181-F213 HydrophobicContact CG2-CE2 4.17Å; I181-F213 HydrophobicContact CG2-CG 3.82Å; I181-F213 HydrophobicContact CG2-CZ 3.92Å
182	P	98.3	Very high	96.9	Very high	87 Å²	87	53.6 Å²	53.6	57%	0.565	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	75.5	170.5	30.2	-34.5	0	0	0	110.1
183	A	98.5	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.288	C	S	.	.			trans	-74	-37.6	-166.2	0	0	0	0	0	112.4	G164 V166 I181 L188 T202 R211 F213	G164-A183 PolarHBondContact O-N 2.73Å; G164-A183 VanDerWaalsContact O-N 3.16Å; V166-A183 HydrophobicContact CG2-CB 4.06Å; I181-A183 HydrophobicContact CG2-CB 4.15Å; I181-A183 PolarHBondContact O-N 3.35Å; A183-L188 HydrophobicContact CB-CD2 4.39Å; A183-T202 HydrophobicContact CB-CG2 4.24Å; A183-R211 WeakPolarHBondContact O-CD 3.39Å; A183-R211 PolarHBondContact O-NH1 2.78Å; A183-F213 HydrophobicContact CB-CE2 3.82Å; A183-F213 HydrophobicContact CB-CZ 3.95Å
184	H	98.3	Very high	97.2	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.046	28%	0.283	C	S	.	.			trans	-146.5	159.5	179.8	-64.3	-95	0	0	0	110.8	G164 G186 L188 T202 S204	G164-H184 CarbonylContact C-O 3.42Å; G164-H184 VanDerWaalsContact CA-O 3.28Å; G164-H184 WeakPolarHBondContact CA-O 3.34Å; G164-H184 PolarHBondContact O-N 3.08Å; H184-G186 VanDerWaalsContact C-N 3.3Å; H184-L188 HydrophobicContact CB-CD2 4.45Å; H184-T202 PolarHBondContact NE2-O 2.89Å; H184-T202 PolarHBondContact NE2-OG1 2.64Å; H184-S204 PolarHBondContact ND1-OG 2.98Å
185	E	96.6	Very high	97.3	Very high	190 Å²	190	50.5 Å²	50.5	89%	0.888	28%	0.28	S	S	*	.	S	Bend	trans	-76.9	-18.3	173.9	-60.3	-62.1	147	0	0	113.1
186	G	96.2	Very high	97.5	Very high	30 Å²	30	48.7 Å²	48.7	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	-119.4	172	-176.1	0	0	0	0	0	112	G164 H184 L188	G164-G186 WeakPolarHBondContact CA-O 3.27Å; H184-G186 VanDerWaalsContact C-N 3.3Å; G186-L188 PolarHBondContact O-N 3.49Å
187	V	97.5	Very high	97.6	Very high	65 Å²	65	42.7 Å²	42.7	39%	0.394	25%	0.245	S	C	.	.			trans	-50.9	136.2	-179.7	-177.2	0	0	0	0	110.9	T163 S204 E205	T163-V187 HydrophobicContact CG2-CG2 3.92Å; V187-S204 CarbonylContact O-C 3.28Å; V187-S204 WeakPolarHBondContact O-CA 3.19Å; V187-S204 VanDerWaalsContact O-CB 3.24Å; V187-S204 WeakPolarHBondContact O-CB 3.46Å; V187-E205 HydrophobicContact CB-CG 4.04Å; V187-E205 HydrophobicContact CG1-CG 4.25Å; V187-E205 PolarHBondContact O-N 3.08Å
188	L	98.4	Very high	97.8	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.9	176.1	-65.1	174.3	0	0	0	110.6	L144 P159 H165 V166 A183 H184 G186 I191	L144-L188 HydrophobicContact CD1-CB 3.92Å; L144-L188 WeakPolarHBondContact CD1-O 3.48Å; P159-L188 HydrophobicContact CB-CD1 4.19Å; P159-L188 HydrophobicContact CG-CD1 4.28Å; H165-L188 VanDerWaalsContact O-CD1 3.25Å; H165-L188 WeakPolarHBondContact O-CD1 3.13Å; V166-L188 HydrophobicContact CG2-CD1 3.41Å; V166-L188 VanDerWaalsContact CG2-CD1 3.41Å; V166-L188 HydrophobicContact CG2-CD2 4.32Å; A183-L188 HydrophobicContact CB-CD2 4.39Å; H184-L188 HydrophobicContact CB-CD2 4.45Å; G186-L188 PolarHBondContact O-N 3.49Å; L188-I191 HydrophobicContact CD1-CD1 4.03Å; L188-I191 HydrophobicContact CD1-CG1 4.45Å
189	S	97.2	Very high	97.9	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-27.5	176.5	63.7	0	0	0	0	112.8	A203 S204	S189-A203 PolarHBondContact N-O 3.03Å; S189-A203 PolarHBondContact OG-O 3.22Å; S189-S204 PolarHBondContact OG-O 3.19Å
190	C	98	Very high	97.9	Very high	12 Å²	12	38 Å²	38	8%	0.081	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	143.6	-178.5	-160.8	0	0	0	0	111.2	T202 A203 I233 I236	C190-T202 WeakPolarHBondContact O-CA 3.01Å; C190-A203 HydrophobicContact CB-CB 4.31Å; C190-A203 PolarHBondContact N-O 2.89Å; C190-A203 PolarHBondContact O-N 3.44Å; C190-I233 HydrophobicContact CB-CB 4.43Å; C190-I233 HydrophobicContact CB-CG2 4.02Å; C190-I236 HydrophobicContact CB-CD1 3.84Å; C190-I236 HydrophobicContact CB-CG1 4.24Å
191	I	98.5	Very high	98	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.062	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.8	176.5	-52.9	176.6	0	0	0	107	L144 V146 P159 V166 L188 I200 A201	L144-I191 HydrophobicContact CB-CD1 4.2Å; V146-I191 VanDerWaalsContact CG1-O 3.23Å; V146-I191 WeakPolarHBondContact CG1-O 3.18Å; V146-I191 HydrophobicContact CG2-CB 4.47Å; V146-I191 HydrophobicContact CG2-CG2 3.69Å; P159-I191 HydrophobicContact CG-CD1 4.17Å; V166-I191 HydrophobicContact CG1-CD1 4.43Å; V166-I191 HydrophobicContact CG2-CD1 4.17Å; V166-I191 HydrophobicContact CG2-CG1 4.5Å; L188-I191 HydrophobicContact CD1-CD1 4.03Å; L188-I191 HydrophobicContact CD1-CG1 4.45Å; I191-I200 HydrophobicContact CG2-CD1 3.6Å; I191-I200 HydrophobicContact CG2-CG1 3.89Å; I191-A201 CarbonylContact C-O 3.52Å; I191-A201 WeakPolarHBondContact CA-O 3.17Å
192	A	98.7	Very high	98	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	135.8	176.8	0	0	0	0	0	111	I200 A201 I236	A192-I200 CarbonylContact O-C 3.52Å; A192-I200 WeakPolarHBondContact O-CA 3.39Å; A192-I200 WeakPolarHBondContact O-CG1 3.26Å; A192-A201 PolarHBondContact N-O 3.21Å; A192-A201 PolarHBondContact O-N 2.88Å; A192-I236 HydrophobicContact CB-CB 4.01Å; A192-I236 HydrophobicContact CB-CG2 4.09Å; A192-I236 WeakPolarHBondContact CB-O 3.36Å
193	L	98.6	Very high	98	Very high	24 Å²	24	30.4 Å²	30.4	13%	0.126	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.9	171.1	-75.3	168.8	0	0	0	109.9	V146 C148 L155 A157 I200 T215	V146-L193 HydrophobicContact CB-CD1 4.38Å; V146-L193 HydrophobicContact CG2-CB 4.44Å; V146-L193 HydrophobicContact CG2-CD1 3.77Å; V146-L193 HydrophobicContact CG2-CG 3.68Å; C148-L193 HydrophobicContact CB-CD1 4.15Å; L155-L193 HydrophobicContact CD2-CD1 4.42Å; L155-L193 HydrophobicContact CD2-CD2 3.96Å; A157-L193 HydrophobicContact CB-CD1 4.43Å; L193-I200 HydrophobicContact CD2-CB 3.8Å; L193-I200 HydrophobicContact CD2-CD1 4.09Å; L193-I200 HydrophobicContact CD2-CG1 3.96Å; L193-T215 HydrophobicContact CD2-CG2 3.79Å
194	N	98.1	Very high	98	Very high	5 Å²	5	31 Å²	31	3%	0.027	17%	0.166	C	C	.	.			trans	-73.6	165.6	161.1	72.3	-20.4	0	0	0	110.8	Q196 G197 T198 R199 F238 A242	N194-Q196 PolarHBondContact O-N 3.02Å; N194-Q196 VanDerWaalsContact O-N 3.13Å; N194-G197 PolarHBondContact O-N 3.29Å; N194-G197 WeakPolarHBondContact OD1-CA 3.41Å; N194-G197 PolarHBondContact OD1-N 3.07Å; N194-T198 PolarHBondContact ND2-OG1 2.94Å; N194-T198 PolarHBondContact OD1-N 3.09Å; N194-R199 HydrophobicContact CB-CB 4.45Å; N194-R199 PolarHBondContact N-O 3.35Å; N194-R199 PolarHBondContact OD1-N 2.92Å; N194-R199 PolarHBondContact OD1-O 3.25Å; N194-F238 HydrophobicContact CB-CB 4.08Å; N194-F238 HydrophobicContact CB-CD1 4.16Å; N194-F238 HydrophobicContact CB-CD2 3.92Å; N194-F238 HydrophobicContact CB-CE2 4.38Å; N194-F238 HydrophobicContact CB-CG 3.79Å; N194-A242 HydrophobicContact CB-CB 3.68Å
195	L	96.7	Very high	97.9	Very high	46 Å²	46	35.2 Å²	35.2	24%	0.241	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.1	-176.3	-68.6	178.7	0	0	0	113.6	Q20 P149 N150 G197 Q240	Q20-L195 WeakPolarHBondContact O-CD2 3.24Å; P149-L195 HydrophobicContact CG-CD2 3.82Å; N150-L195 WeakPolarHBondContact CB-O 2.92Å; L195-G197 VanDerWaalsContact C-N 3.33Å; L195-Q240 HydrophobicContact CD1-CB 4.44Å; L195-Q240 HydrophobicContact CD1-CG 3.91Å
196	Q	97.2	Very high	97.9	Very high	102 Å²	102	33 Å²	33	48%	0.477	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.5	179.4	-56.8	-57.6	-25.5	0	0	113.5	N150 N153 N194 T198	N150-Q196 PolarHBondContact ND2-OE1 2.9Å; N153-Q196 PolarHBondContact ND2-O 2.91Å; N194-Q196 PolarHBondContact O-N 3.02Å; N194-Q196 VanDerWaalsContact O-N 3.13Å; Q196-T198 HydrophobicContact CB-CG2 3.96Å; Q196-T198 PolarHBondContact O-N 3.18Å
197	G	97.8	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	63.4	24.4	-174.4	0	0	0	0	0	113.8	C148 N153 L155 N194 L195 T215	C148-G197 WeakPolarHBondContact SG-CA 3.33Å; C148-G197 PolarHBondContact SG-N 3.18Å; N153-G197 PolarHBondContact ND2-O 3.1Å; L155-G197 WeakPolarHBondContact CD2-O 3.13Å; N194-G197 PolarHBondContact O-N 3.29Å; N194-G197 WeakPolarHBondContact OD1-CA 3.41Å; N194-G197 PolarHBondContact OD1-N 3.07Å; L195-G197 VanDerWaalsContact C-N 3.33Å; G197-T215 WeakPolarHBondContact O-CB 3.48Å; G197-T215 PolarHBondContact O-OG1 2.85Å
198	T	97.9	Very high	98	Very high	64 Å²	64	28.9 Å²	28.9	39%	0.393	14%	0.142	S	C	.	.	S	Bend	trans	-94.2	-18.9	178.4	57.2	0	0	0	0	112.8	N194 Q196 T215	N194-T198 PolarHBondContact ND2-OG1 2.94Å; N194-T198 PolarHBondContact OD1-N 3.09Å; Q196-T198 HydrophobicContact CB-CG2 3.96Å; Q196-T198 PolarHBondContact O-N 3.18Å; T198-T215 WeakPolarHBondContact CA-OG1 3.37Å; T198-T215 PolarHBondContact O-N 2.96Å; T198-T215 VanDerWaalsContact O-N 3.11Å; T198-T215 PolarHBondContact O-OG1 2.92Å
199	R	98.5	Very high	97.9	Very high	57 Å²	57	29.6 Å²	29.6	22%	0.215	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.3	178.6	-58.1	-179.2	-169	-109.1	5.6	110.2	N194 I212 F213 I221 F238	N194-R199 HydrophobicContact CB-CB 4.45Å; N194-R199 PolarHBondContact N-O 3.35Å; N194-R199 PolarHBondContact OD1-N 2.92Å; N194-R199 PolarHBondContact OD1-O 3.25Å; R199-I212 HydrophobicContact CB-CG2 4.21Å; R199-F213 WeakPolarHBondContact CA-O 3.42Å; R199-I221 HydrophobicContact CG-CD1 4.17Å; R199-F238 HydrophobicContact CB-CE1 4.29Å; R199-F238 HydrophobicContact CB-CZ 4.08Å
200	I	98.8	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	174.9	-168.3	169.1	0	0	0	110.5	A157 V166 L168 I181 I191 A192 L193 T202 I212 F213 T215	A157-I200 HydrophobicContact CB-CD1 3.59Å; V166-I200 HydrophobicContact CG1-CD1 3.77Å; L168-I200 HydrophobicContact CD2-CD1 3.62Å; I181-I200 HydrophobicContact CD1-CG2 4.17Å; I191-I200 HydrophobicContact CG2-CD1 3.6Å; I191-I200 HydrophobicContact CG2-CG1 3.89Å; A192-I200 CarbonylContact O-C 3.52Å; A192-I200 WeakPolarHBondContact O-CA 3.39Å; A192-I200 WeakPolarHBondContact O-CG1 3.26Å; L193-I200 HydrophobicContact CD2-CB 3.8Å; L193-I200 HydrophobicContact CD2-CD1 4.09Å; L193-I200 HydrophobicContact CD2-CG1 3.96Å; I200-T202 HydrophobicContact CG1-CG2 4.31Å; I200-I212 CarbonylContact O-C 3.47Å; I200-I212 VanDerWaalsContact O-CA 3.25Å; I200-I212 WeakPolarHBondContact O-CA 3.39Å; I200-F213 HydrophobicContact CG2-CB 3.78Å; I200-F213 HydrophobicContact CG2-CD2 4.39Å; I200-F213 PolarHBondContact N-O 2.83Å; I200-F213 PolarHBondContact O-N 3.15Å; I200-T215 HydrophobicContact CB-CG2 3.83Å; I200-T215 HydrophobicContact CG2-CG2 3.95Å
201	A	98.8	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.1	172.7	0	0	0	0	0	110.1	I191 A192 I210 R211 I212 I236 F238	I191-A201 CarbonylContact C-O 3.52Å; I191-A201 WeakPolarHBondContact CA-O 3.17Å; A192-A201 PolarHBondContact N-O 3.21Å; A192-A201 PolarHBondContact O-N 2.88Å; A201-I210 HydrophobicContact CB-CG2 4.37Å; A201-R211 CarbonylContact C-O 3.58Å; A201-R211 VanDerWaalsContact CA-O 3.31Å; A201-R211 WeakPolarHBondContact CA-O 3.45Å; A201-I212 HydrophobicContact CB-CG1 4.26Å; A201-I236 HydrophobicContact CB-CG2 3.79Å; A201-F238 HydrophobicContact CB-CE2 3.62Å; A201-F238 HydrophobicContact CB-CZ 3.71Å
202	T	98.8	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.3	-175.8	64	0	0	0	0	111.3	V166 A183 H184 C190 I200 I210 R211 F213	V166-T202 HydrophobicContact CG2-CG2 3.76Å; A183-T202 HydrophobicContact CB-CG2 4.24Å; H184-T202 PolarHBondContact NE2-O 2.89Å; H184-T202 PolarHBondContact NE2-OG1 2.64Å; C190-T202 WeakPolarHBondContact O-CA 3.01Å; I200-T202 HydrophobicContact CG1-CG2 4.31Å; T202-I210 WeakPolarHBondContact O-CA 3.47Å; T202-R211 PolarHBondContact N-O 2.8Å; T202-R211 PolarHBondContact O-N 3.37Å; T202-R211 PolarHBondContact OG1-O 3.07Å; T202-F213 HydrophobicContact CG2-CD2 4.49Å; T202-F213 HydrophobicContact CG2-CE2 4.45Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.33Å
203	A	98.6	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.7	168.5	0	0	0	0	0	110.4	S189 C190 I210 I233 I236	S189-A203 PolarHBondContact N-O 3.03Å; S189-A203 PolarHBondContact OG-O 3.22Å; C190-A203 HydrophobicContact CB-CB 4.31Å; C190-A203 PolarHBondContact N-O 2.89Å; C190-A203 PolarHBondContact O-N 3.44Å; A203-I210 HydrophobicContact CB-CD1 3.68Å; A203-I233 HydrophobicContact CB-CB 4.31Å; A203-I233 HydrophobicContact CB-CG1 3.92Å; A203-I233 HydrophobicContact CB-CG2 4.47Å; A203-I236 HydrophobicContact CB-CD1 3.98Å
204	S	98.1	Very high	98	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.084	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	174.3	169	53.4	0	0	0	0	112	H184 V187 S189 K206 G207	H184-S204 PolarHBondContact ND1-OG 2.98Å; V187-S204 CarbonylContact O-C 3.28Å; V187-S204 WeakPolarHBondContact O-CA 3.19Å; V187-S204 VanDerWaalsContact O-CB 3.24Å; V187-S204 WeakPolarHBondContact O-CB 3.46Å; S189-S204 PolarHBondContact OG-O 3.19Å; S204-K206 PolarHBondContact O-N 2.89Å; S204-G207 WeakPolarHBondContact O-CA 3.36Å; S204-G207 PolarHBondContact O-N 2.91Å
205	E	97	Very high	98	Very high	100 Å²	100	32.2 Å²	32.2	47%	0.467	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.4	174.1	-64.9	-163.2	139.6	0	0	113.7	K142 V187 G207	K142-E205 IonicContact NZ-OE1 2.82Å; K142-E205 PolarHBondContact NZ-OE1 2.73Å; V187-E205 HydrophobicContact CB-CG 4.04Å; V187-E205 HydrophobicContact CG1-CG 4.25Å; V187-E205 PolarHBondContact O-N 3.08Å; E205-G207 PolarHBondContact O-N 2.87Å
206	K	97.3	Very high	98	Very high	142 Å²	142	34.6 Å²	34.6	62%	0.617	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.5	168.8	-167.7	173.4	-174.9	171	0	111.5	S204 T208 A230 A231	S204-K206 PolarHBondContact O-N 2.89Å; K206-T208 HydrophobicContact CG-CG2 4.16Å; K206-T208 PolarHBondContact O-N 2.78Å; K206-A230 VanDerWaalsContact O-CA 3.27Å; K206-A230 WeakPolarHBondContact O-CA 3.27Å; K206-A231 PolarHBondContact O-N 2.82Å
207	G	97.4	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.			trans	54.5	16.8	174	0	0	0	0	0	116.9	S204 E205 R226 A231	S204-G207 WeakPolarHBondContact O-CA 3.36Å; S204-G207 PolarHBondContact O-N 2.91Å; E205-G207 PolarHBondContact O-N 2.87Å; G207-R226 PolarHBondContact O-NE 3.27Å; G207-R226 VanDerWaalsContact O-NE 3.1Å; G207-R226 PolarHBondContact O-NH2 3.21Å; G207-A231 WeakPolarHBondContact CA-O 3.33Å
208	T	97.1	Very high	98	Very high	9 Å²	9	33 Å²	33	6%	0.055	18%	0.177	C	C	.	.	S	Bend	trans	-82	-27.1	177.7	50.3	0	0	0	0	112.7	K206 R226 G227 Q229	K206-T208 HydrophobicContact CG-CG2 4.16Å; K206-T208 PolarHBondContact O-N 2.78Å; T208-R226 PolarHBondContact O-N 3Å; T208-G227 WeakPolarHBondContact CB-O 3.24Å; T208-Q229 WeakPolarHBondContact CG2-O 3.34Å
209	L	97.6	Very high	98	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.131	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.4	-175.4	-64.7	175.5	0	0	0	110.1	E223 L224 R225	L209-E223 HydrophobicContact CB-CG 4.48Å; L209-E223 HydrophobicContact CD1-CG 4.24Å; L209-E223 HydrophobicContact CD2-CG 3.96Å; L209-E223 HydrophobicContact CG-CG 4.46Å; L209-L224 CarbonylContact C-O 3.59Å; L209-L224 WeakPolarHBondContact CA-O 3.47Å; L209-R225 HydrophobicContact CD2-CB 4.01Å; L209-R225 HydrophobicContact CD2-CG 4.29Å
210	I	98.5	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.7	168	-45.8	-57.6	0	0	0	106.6	A201 T202 A203 L224 I233 I236 I245 V247	A201-I210 HydrophobicContact CB-CG2 4.37Å; T202-I210 WeakPolarHBondContact O-CA 3.47Å; A203-I210 HydrophobicContact CB-CD1 3.68Å; I210-L224 HydrophobicContact CB-CB 4.31Å; I210-L224 PolarHBondContact N-O 2.9Å; I210-L224 PolarHBondContact O-N 3.17Å; I210-I233 HydrophobicContact CD1-CD1 4.44Å; I210-I233 HydrophobicContact CD1-CG1 4.34Å; I210-I236 HydrophobicContact CD1-CD1 4.13Å; I210-I236 HydrophobicContact CG2-CD1 3.98Å; I210-I245 HydrophobicContact CB-CD1 4.5Å; I210-I245 HydrophobicContact CG2-CD1 3.84Å; I210-V247 HydrophobicContact CD1-CG1 4Å; I210-V247 HydrophobicContact CG1-CG1 4.31Å; I210-V247 HydrophobicContact CG1-CG2 4.17Å
211	R	98.5	Very high	98	Very high	54 Å²	54	41 Å²	41	20%	0.204	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.5	-178.5	-72.6	174.7	172.5	171.1	-4.2	109.9	A183 A201 T202 F213 L220 Q222 E223	A183-R211 WeakPolarHBondContact O-CD 3.39Å; A183-R211 PolarHBondContact O-NH1 2.78Å; A201-R211 CarbonylContact C-O 3.58Å; A201-R211 VanDerWaalsContact CA-O 3.31Å; A201-R211 WeakPolarHBondContact CA-O 3.45Å; T202-R211 PolarHBondContact N-O 2.8Å; T202-R211 PolarHBondContact O-N 3.37Å; T202-R211 PolarHBondContact OG1-O 3.07Å; R211-F213 HydrophobicContact CB-CD2 4.29Å; R211-F213 HydrophobicContact CB-CE2 3.39Å; R211-F213 HydrophobicContact CB-CZ 3.71Å; R211-F213 HydrophobicContact CG-CZ 4.45Å; R211-L220 HydrophobicContact CB-CD1 3.78Å; R211-L220 HydrophobicContact CG-CD1 3.98Å; R211-Q222 WeakPolarHBondContact CA-O 3.47Å; R211-E223 HydrophobicContact CG-CB 4.41Å; R211-E223 HydrophobicContact CG-CG 4.13Å; R211-E223 IonicContact CZ-OE2 3.52Å; R211-E223 VanDerWaalsContact CZ-OE2 3.27Å; R211-E223 IonicContact NE-OE2 3.54Å; R211-E223 PolarHBondContact NE-OE2 2.96Å; R211-E223 IonicContact NH2-OE2 2.82Å; R211-E223 PolarHBondContact NH2-OE2 2.84Å
212	I	98.7	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.1	178.2	-54.9	179.2	0	0	0	108.1	R199 I200 A201 I221 Q222 L224 F238 I245 A259	R199-I212 HydrophobicContact CB-CG2 4.21Å; I200-I212 CarbonylContact O-C 3.47Å; I200-I212 VanDerWaalsContact O-CA 3.25Å; I200-I212 WeakPolarHBondContact O-CA 3.39Å; A201-I212 HydrophobicContact CB-CG1 4.26Å; I212-I221 HydrophobicContact CG2-CB 4.48Å; I212-I221 HydrophobicContact CG2-CD1 4.43Å; I212-I221 WeakPolarHBondContact O-CA 3.35Å; I212-I221 WeakPolarHBondContact O-CB 3.45Å; I212-I221 PolarHBondContact O-N 2.82Å; I212-Q222 HydrophobicContact CB-CB 4.36Å; I212-Q222 HydrophobicContact CD1-CB 4.46Å; I212-Q222 PolarHBondContact N-O 3.28Å; I212-Q222 PolarHBondContact O-N 2.87Å; I212-Q222 VanDerWaalsContact O-N 3.15Å; I212-L224 HydrophobicContact CD1-CD1 3.8Å; I212-L224 HydrophobicContact CG1-CD1 4.4Å; I212-F238 HydrophobicContact CD1-CE1 4.28Å; I212-F238 HydrophobicContact CD1-CZ 4.49Å; I212-F238 HydrophobicContact CG2-CE1 4.4Å; I212-F238 HydrophobicContact CG2-CZ 4.14Å; I212-I245 HydrophobicContact CD1-CD1 4.21Å; I212-I245 HydrophobicContact CD1-CG2 4.35Å; I212-A259 HydrophobicContact CD1-CB 3.57Å
213	F	98.8	Very high	97.8	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.4	179.2	-56	-98.3	0	0	0	111	I181 A183 R199 I200 T202 R211 H219 L220	I181-F213 HydrophobicContact CD1-CB 4Å; I181-F213 HydrophobicContact CD1-CG 4.35Å; I181-F213 HydrophobicContact CG2-CD1 3.51Å; I181-F213 HydrophobicContact CG2-CD2 4.13Å; I181-F213 HydrophobicContact CG2-CE1 3.57Å; I181-F213 HydrophobicContact CG2-CE2 4.17Å; I181-F213 HydrophobicContact CG2-CG 3.82Å; I181-F213 HydrophobicContact CG2-CZ 3.92Å; A183-F213 HydrophobicContact CB-CE2 3.82Å; A183-F213 HydrophobicContact CB-CZ 3.95Å; R199-F213 WeakPolarHBondContact CA-O 3.42Å; I200-F213 HydrophobicContact CG2-CB 3.78Å; I200-F213 HydrophobicContact CG2-CD2 4.39Å; I200-F213 PolarHBondContact N-O 2.83Å; I200-F213 PolarHBondContact O-N 3.15Å; T202-F213 HydrophobicContact CG2-CD2 4.49Å; T202-F213 HydrophobicContact CG2-CE2 4.45Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.33Å; R211-F213 HydrophobicContact CB-CD2 4.29Å; R211-F213 HydrophobicContact CB-CE2 3.39Å; R211-F213 HydrophobicContact CB-CZ 3.71Å; R211-F213 HydrophobicContact CG-CZ 4.45Å; F213-H219 CarbonylContact C-O 3.52Å; F213-H219 WeakPolarHBondContact CA-O 3.41Å; F213-L220 HydrophobicContact CD1-CB 3.96Å; F213-L220 HydrophobicContact CD1-CD1 4.05Å; F213-L220 HydrophobicContact CE1-CB 3.83Å; F213-L220 HydrophobicContact CE1-CD1 3.62Å; F213-L220 HydrophobicContact CE1-CG 4.32Å; F213-L220 HydrophobicContact CE2-CD1 4.24Å; F213-L220 HydrophobicContact CZ-CD1 3.72Å
214	D	98.4	Very high	97.7	Very high	43 Å²	43	44.5 Å²	44.5	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.1	163.9	-175.2	82.7	0	0	0	108.7	S216 S217 G218 H219 I221	D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 WeakPolarHBondContact OD2-CA 3.23Å; D214-S216 WeakPolarHBondContact OD2-CB 2.96Å; D214-S216 PolarHBondContact OD2-N 3.21Å; D214-S216 PolarHBondContact OD2-OG 2.83Å; D214-S217 PolarHBondContact OD2-N 2.91Å; D214-G218 WeakPolarHBondContact O-CA 3.33Å; D214-G218 PolarHBondContact O-N 3.06Å; D214-H219 PolarHBondContact N-O 2.93Å; D214-I221 HydrophobicContact CB-CD1 3.92Å; D214-I221 HydrophobicContact CB-CG1 4.16Å
215	T	98.4	Very high	97.6	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.074	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.8	-175.5	53.3	0	0	0	0	113.4	L155 L168 L193 G197 T198 I200	L155-T215 HydrophobicContact CD2-CG2 3.72Å; L168-T215 HydrophobicContact CD1-CG2 4.18Å; L168-T215 WeakPolarHBondContact CD1-O 3.33Å; L193-T215 HydrophobicContact CD2-CG2 3.79Å; G197-T215 WeakPolarHBondContact O-CB 3.48Å; G197-T215 PolarHBondContact O-OG1 2.85Å; T198-T215 WeakPolarHBondContact CA-OG1 3.37Å; T198-T215 PolarHBondContact O-N 2.96Å; T198-T215 VanDerWaalsContact O-N 3.11Å; T198-T215 PolarHBondContact O-OG1 2.92Å; I200-T215 HydrophobicContact CB-CG2 3.83Å; I200-T215 HydrophobicContact CG2-CG2 3.95Å
216	S	96.7	Very high	97.6	Very high	96 Å²	96	41.3 Å²	41.3	67%	0.671	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-40.1	-179.2	73.9	0	0	0	0	112	D214	D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 WeakPolarHBondContact OD2-CA 3.23Å; D214-S216 WeakPolarHBondContact OD2-CB 2.96Å; D214-S216 PolarHBondContact OD2-N 3.21Å; D214-S216 PolarHBondContact OD2-OG 2.83Å
217	S	96.8	Very high	97.4	Very high	54 Å²	54	35.1 Å²	35.1	38%	0.378	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-13.8	-178.5	82.8	0	0	0	0	113.9	D214 H219	D214-S217 PolarHBondContact OD2-N 2.91Å; S217-H219 PolarHBondContact O-CD2 2.92Å; S217-H219 PolarHBondContact O-N 2.94Å; S217-H219 VanDerWaalsContact OG-CB 3.27Å; S217-H219 WeakPolarHBondContact OG-CB 3.31Å; S217-H219 PolarHBondContact OG-N 3.12Å; S217-H219 PolarHBondContact OG-ND1 3.47Å
218	G	98	Very high	97.1	Very high	15 Å²	15	39.1 Å²	39.1	16%	0.155	22%	0.219	C	C	.	.			trans	71	7	-173.2	0	0	0	0	0	114.4	D214	D214-G218 WeakPolarHBondContact O-CA 3.33Å; D214-G218 PolarHBondContact O-N 3.06Å
219	H	98.1	Very high	97	Very high	130 Å²	130	45 Å²	45	60%	0.602	25%	0.245	S	C	*	.			trans	-77.2	141.4	-175.3	-68.2	169.6	0	0	0	112.3	F213 D214 S217 I221	F213-H219 CarbonylContact C-O 3.52Å; F213-H219 WeakPolarHBondContact CA-O 3.41Å; D214-H219 PolarHBondContact N-O 2.93Å; S217-H219 PolarHBondContact O-CD2 2.92Å; S217-H219 PolarHBondContact O-N 2.94Å; S217-H219 VanDerWaalsContact OG-CB 3.27Å; S217-H219 WeakPolarHBondContact OG-CB 3.31Å; S217-H219 PolarHBondContact OG-N 3.12Å; S217-H219 PolarHBondContact OG-ND1 3.47Å; H219-I221 PolarHBondContact O-N 2.77Å
220	L	98.2	Very high	96.9	Very high	90 Å²	90	46.9 Å²	46.9	47%	0.471	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	120.3	173	-177.9	69.6	0	0	0	110.4	R211 F213 Q222	R211-L220 HydrophobicContact CB-CD1 3.78Å; R211-L220 HydrophobicContact CG-CD1 3.98Å; F213-L220 HydrophobicContact CD1-CB 3.96Å; F213-L220 HydrophobicContact CD1-CD1 4.05Å; F213-L220 HydrophobicContact CE1-CB 3.83Å; F213-L220 HydrophobicContact CE1-CD1 3.62Å; F213-L220 HydrophobicContact CE1-CG 4.32Å; F213-L220 HydrophobicContact CE2-CD1 4.24Å; F213-L220 HydrophobicContact CZ-CD1 3.72Å; L220-Q222 WeakPolarHBondContact CD1-O 3.38Å
221	I	97.5	Very high	96.8	Very high	67 Å²	67	47 Å²	47	34%	0.344	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-50.6	175.7	-56.7	174.2	0	0	0	110.2	R199 I212 D214 H219	R199-I221 HydrophobicContact CG-CD1 4.17Å; I212-I221 HydrophobicContact CG2-CB 4.48Å; I212-I221 HydrophobicContact CG2-CD1 4.43Å; I212-I221 WeakPolarHBondContact O-CA 3.35Å; I212-I221 WeakPolarHBondContact O-CB 3.45Å; I212-I221 PolarHBondContact O-N 2.82Å; D214-I221 HydrophobicContact CB-CD1 3.92Å; D214-I221 HydrophobicContact CB-CG1 4.16Å; H219-I221 PolarHBondContact O-N 2.77Å
222	Q	96.4	Very high	96.7	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.5	-179.5	-67.4	-151.1	5.3	0	0	112.4	R211 I212 L220 L224 A258 A259	R211-Q222 WeakPolarHBondContact CA-O 3.47Å; I212-Q222 HydrophobicContact CB-CB 4.36Å; I212-Q222 HydrophobicContact CD1-CB 4.46Å; I212-Q222 PolarHBondContact N-O 3.28Å; I212-Q222 PolarHBondContact O-N 2.87Å; I212-Q222 VanDerWaalsContact O-N 3.15Å; L220-Q222 WeakPolarHBondContact CD1-O 3.38Å; Q222-L224 HydrophobicContact CB-CG 4.37Å; Q222-L224 VanDerWaalsContact OE1-CD2 3.29Å; Q222-A258 PolarHBondContact OE1-O 2.94Å; Q222-A259 PolarHBondContact NE2-O 3.45Å
223	E	96.7	Very high	96.7	Very high	66 Å²	66	47.6 Å²	47.6	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.5	163.8	-176.8	175	97.9	0	0	108.8	L209 R211	L209-E223 HydrophobicContact CB-CG 4.48Å; L209-E223 HydrophobicContact CD1-CG 4.24Å; L209-E223 HydrophobicContact CD2-CG 3.96Å; L209-E223 HydrophobicContact CG-CG 4.46Å; R211-E223 HydrophobicContact CG-CB 4.41Å; R211-E223 HydrophobicContact CG-CG 4.13Å; R211-E223 IonicContact CZ-OE2 3.52Å; R211-E223 VanDerWaalsContact CZ-OE2 3.27Å; R211-E223 IonicContact NE-OE2 3.54Å; R211-E223 PolarHBondContact NE-OE2 2.96Å; R211-E223 IonicContact NH2-OE2 2.82Å; R211-E223 PolarHBondContact NH2-OE2 2.84Å
224	L	97.2	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.8	-172.6	-64.3	171.5	0	0	0	109.3	L209 I210 I212 Q222 I245 F257 N265 K283	L209-L224 CarbonylContact C-O 3.59Å; L209-L224 WeakPolarHBondContact CA-O 3.47Å; I210-L224 HydrophobicContact CB-CB 4.31Å; I210-L224 PolarHBondContact N-O 2.9Å; I210-L224 PolarHBondContact O-N 3.17Å; I212-L224 HydrophobicContact CD1-CD1 3.8Å; I212-L224 HydrophobicContact CG1-CD1 4.4Å; Q222-L224 HydrophobicContact CB-CG 4.37Å; Q222-L224 VanDerWaalsContact OE1-CD2 3.29Å; L224-I245 HydrophobicContact CD1-CD1 3.53Å; L224-I245 HydrophobicContact CD1-CG1 4.08Å; L224-F257 HydrophobicContact CB-CD1 3.84Å; L224-F257 HydrophobicContact CB-CE1 3.96Å; L224-F257 HydrophobicContact CB-CG 4.31Å; L224-F257 HydrophobicContact CD1-CB 3.69Å; L224-F257 HydrophobicContact CD1-CD1 4.2Å; L224-F257 HydrophobicContact CD1-CG 3.94Å; L224-F257 HydrophobicContact CD2-CB 4.25Å; L224-F257 HydrophobicContact CD2-CD1 3.93Å; L224-F257 HydrophobicContact CD2-CG 4.41Å; L224-F257 HydrophobicContact CG-CB 4.48Å; L224-F257 HydrophobicContact CG-CD1 4.22Å; L224-F257 HydrophobicContact CG-CG 4.46Å; L224-N265 WeakPolarHBondContact CD2-ND2 3.18Å; L224-K283 HydrophobicContact CD2-CB 4.25Å
225	R	96.9	Very high	96.6	Very high	30 Å²	30	48.9 Å²	48.9	11%	0.113	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.9	-179.4	-175.6	172.3	-59.4	-73	-4.5	110.7	L209 F257 S282 K283	L209-R225 HydrophobicContact CD2-CB 4.01Å; L209-R225 HydrophobicContact CD2-CG 4.29Å; R225-F257 WeakPolarHBondContact O-CE1 3.25Å; R225-S282 VanDerWaalsContact NE-CB 3.28Å; R225-S282 PolarHBondContact NE-OG 3.46Å; R225-S282 PolarHBondContact NH2-OG 3.27Å; R225-K283 PolarHBondContact N-O 3.28Å
226	R	95.8	Very high	96.6	Very high	14 Å²	14	48.5 Å²	48.5	5%	0.053	27%	0.274	C	S	.	.			trans	-76.3	-41.1	172.5	-176.5	-78.2	-45.1	143.1	9.3	111.7	G207 T208 Q229 H255 F257	G207-R226 PolarHBondContact O-NE 3.27Å; G207-R226 VanDerWaalsContact O-NE 3.1Å; G207-R226 PolarHBondContact O-NH2 3.21Å; T208-R226 PolarHBondContact O-N 3Å; R226-Q229 PolarHBondContact NH1-O 3.11Å; R226-Q229 PolarHBondContact NH2-O 2.88Å; R226-H255 PolarHBondContact O-CE1 3.32Å; R226-F257 HydrophobicContact CB-CZ 4.16Å
227	G	93.3	Very high	96.7	Very high	13 Å²	13	45 Å²	45	13%	0.134	25%	0.248	C	C	.	.			trans	-174	-177.1	174.2	0	0	0	0	0	113.1	T208	T208-G227 WeakPolarHBondContact CB-O 3.24Å
228	S	90.9	Very high	96.8	Very high	83 Å²	83	42.6 Å²	42.6	58%	0.58	23%	0.231	S	C	*	.	S	Bend	trans	-86.1	-38.2	177.3	50.8	0	0	0	0	112.8
229	Q	94.8	Very high	96.8	Very high	132 Å²	132	42.6 Å²	42.6	62%	0.617	23%	0.228	S	C	*	.	S	Bend	trans	-81	148	179.4	-67.3	176.8	-28.6	0	0	111.4	T208 R226	T208-Q229 WeakPolarHBondContact CG2-O 3.34Å; R226-Q229 PolarHBondContact NH1-O 3.11Å; R226-Q229 PolarHBondContact NH2-O 2.88Å
230	A	96.8	Very high	96.7	Very high	66 Å²	66	44.4 Å²	44.4	55%	0.545	24%	0.236	S	C	.	.			trans	-61.1	148.5	174.9	0	0	0	0	0	111.8	K206 H251	K206-A230 VanDerWaalsContact O-CA 3.27Å; K206-A230 WeakPolarHBondContact O-CA 3.27Å; A230-H251 PolarHBondContact O-NE2 2.77Å
231	A	96.9	Very high	96.6	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.025	24%	0.242	C	C	.	.			trans	-150.4	137.9	179.4	0	0	0	0	0	110	K206 G207 I233 D250 H251	K206-A231 PolarHBondContact O-N 2.82Å; G207-A231 WeakPolarHBondContact CA-O 3.33Å; A231-I233 HydrophobicContact CB-CD1 4.48Å; A231-I233 PolarHBondContact O-N 2.8Å; A231-D250 VanDerWaalsContact CA-OD1 3.22Å; A231-D250 WeakPolarHBondContact CA-OD1 3.13Å; A231-D250 WeakPolarHBondContact CB-OD1 3.33Å; A231-H251 VanDerWaalsContact CB-CD2 3.42Å; A231-H251 WeakPolarHBondContact CB-CD2 3.26Å
232	N	96.4	Very high	96.5	Very high	61 Å²	61	42.4 Å²	42.4	33%	0.326	23%	0.227	S	C	.	.			trans	-75.3	114	168.2	-173.1	27.8	0	0	0	109.6	S249 D250	N232-S249 CarbonylContact O-C 3.57Å; N232-S249 WeakPolarHBondContact O-CA 3.39Å; N232-S249 VanDerWaalsContact O-CB 3.26Å; N232-S249 WeakPolarHBondContact O-CB 3.08Å; N232-D250 HydrophobicContact CB-CB 4.13Å; N232-D250 WeakPolarHBondContact CB-OD2 3.48Å; N232-D250 PolarHBondContact N-OD1 2.87Å; N232-D250 PolarHBondContact N-OD2 2.98Å; N232-D250 PolarHBondContact O-N 2.86Å
233	I	98	Very high	96.6	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.7	178.5	-55.3	-53.4	0	0	0	109	C190 A203 I210 A231 I236 V247	C190-I233 HydrophobicContact CB-CB 4.43Å; C190-I233 HydrophobicContact CB-CG2 4.02Å; A203-I233 HydrophobicContact CB-CB 4.31Å; A203-I233 HydrophobicContact CB-CG1 3.92Å; A203-I233 HydrophobicContact CB-CG2 4.47Å; I210-I233 HydrophobicContact CD1-CD1 4.44Å; I210-I233 HydrophobicContact CD1-CG1 4.34Å; A231-I233 HydrophobicContact CB-CD1 4.48Å; A231-I233 PolarHBondContact O-N 2.8Å; I233-I236 HydrophobicContact CG2-CD1 4.23Å; I233-I236 HydrophobicContact CG2-CG1 3.85Å; I233-V247 HydrophobicContact CD1-CG1 4.16Å; I233-V247 HydrophobicContact CG2-CG1 3.94Å
234	Y	97.1	Very high	96.6	Very high	68 Å²	68	39.8 Å²	39.8	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-37.2	-179.7	-62.6	-45.3	0	0	0	112.7	S248 S249 D250 P296 C297	Y234-S248 PolarHBondContact N-O 3.13Å; Y234-S249 VanDerWaalsContact CD2-C 3.42Å; Y234-S249 WeakPolarHBondContact CE2-O 3.25Å; Y234-D250 HydrophobicContact CE1-CB 4.39Å; Y234-D250 VanDerWaalsContact CE2-CA 3.46Å; Y234-D250 HydrophobicContact CE2-CB 4.08Å; Y234-D250 WeakPolarHBondContact OH-CA 2.89Å; Y234-D250 WeakPolarHBondContact OH-CB 3.35Å; Y234-P296 HydrophobicContact CD2-CB 4.32Å; Y234-P296 HydrophobicContact CE1-CB 4.24Å; Y234-P296 HydrophobicContact CE2-CB 3.72Å; Y234-P296 HydrophobicContact CE2-CG 4.34Å; Y234-C297 VanDerWaalsContact CB-O 3.29Å; Y234-C297 WeakPolarHBondContact CB-O 3.24Å
235	C	97.7	Very high	96.7	Very high	14 Å²	14	39.8 Å²	39.8	10%	0.095	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	144.7	-174	-169.5	0	0	0	0	111.1	N237 V247 S248 I298 C299	C235-N237 PolarHBondContact SG-ND2 3.06Å; C235-N237 VanDerWaalsContact SG-ND2 3.41Å; C235-V247 WeakPolarHBondContact O-CA 3.39Å; C235-S248 WeakPolarHBondContact CB-OG 3.43Å; C235-S248 PolarHBondContact N-OG 2.84Å; C235-S248 PolarHBondContact O-N 2.88Å; C235-I298 HydrophobicContact CB-CB 4Å; C235-I298 HydrophobicContact CB-CG2 4.06Å; C235-C299 PolarHBondContact SG-O 2.97Å
236	I	98.6	Very high	96.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.3	167.4	-56.8	169	0	0	0	106.1	C190 A192 A201 A203 I210 I233 C246 V247	C190-I236 HydrophobicContact CB-CD1 3.84Å; C190-I236 HydrophobicContact CB-CG1 4.24Å; A192-I236 HydrophobicContact CB-CB 4.01Å; A192-I236 HydrophobicContact CB-CG2 4.09Å; A192-I236 WeakPolarHBondContact CB-O 3.36Å; A201-I236 HydrophobicContact CB-CG2 3.79Å; A203-I236 HydrophobicContact CB-CD1 3.98Å; I210-I236 HydrophobicContact CD1-CD1 4.13Å; I210-I236 HydrophobicContact CG2-CD1 3.98Å; I233-I236 HydrophobicContact CG2-CD1 4.23Å; I233-I236 HydrophobicContact CG2-CG1 3.85Å; I236-C246 WeakPolarHBondContact CA-O 3.15Å; I236-V247 HydrophobicContact CG1-CG1 4.27Å; I236-V247 HydrophobicContact CG1-CG2 4.29Å; I236-V247 HydrophobicContact CG2-CG2 4.31Å
237	N	98.6	Very high	96.9	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.8	171.7	-83.9	-38.7	0	0	0	110.8	H22 C235 I245 C246 C299	H22-N237 PolarHBondContact NE2-OD1 2.79Å; C235-N237 PolarHBondContact SG-ND2 3.06Å; C235-N237 VanDerWaalsContact SG-ND2 3.41Å; N237-I245 CarbonylContact O-C 3.52Å; N237-I245 VanDerWaalsContact O-CA 3.27Å; N237-I245 WeakPolarHBondContact O-CA 3.33Å; N237-C246 PolarHBondContact N-O 3.09Å; N237-C246 VanDerWaalsContact N-O 3.08Å; N237-C246 PolarHBondContact O-N 2.93Å; N237-C299 PolarHBondContact ND2-O 3.08Å
238	F	98.6	Very high	97.2	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	153.3	167.7	-71.3	-93.1	0	0	0	110	H22 N194 R199 A201 I212 A242 L244 I245 A259	H22-F238 PolarHBondContact CE1-O 3.16Å; N194-F238 HydrophobicContact CB-CB 4.08Å; N194-F238 HydrophobicContact CB-CD1 4.16Å; N194-F238 HydrophobicContact CB-CD2 3.92Å; N194-F238 HydrophobicContact CB-CE2 4.38Å; N194-F238 HydrophobicContact CB-CG 3.79Å; R199-F238 HydrophobicContact CB-CE1 4.29Å; R199-F238 HydrophobicContact CB-CZ 4.08Å; A201-F238 HydrophobicContact CB-CE2 3.62Å; A201-F238 HydrophobicContact CB-CZ 3.71Å; I212-F238 HydrophobicContact CD1-CE1 4.28Å; I212-F238 HydrophobicContact CD1-CZ 4.49Å; I212-F238 HydrophobicContact CG2-CE1 4.4Å; I212-F238 HydrophobicContact CG2-CZ 4.14Å; F238-A242 HydrophobicContact CB-CB 4.5Å; F238-A242 HydrophobicContact CD1-CB 3.86Å; F238-A242 HydrophobicContact CG-CB 4.45Å; F238-L244 WeakPolarHBondContact CA-O 3.39Å; F238-I245 HydrophobicContact CD1-CG2 3.32Å; F238-I245 HydrophobicContact CD2-CG2 4.23Å; F238-I245 HydrophobicContact CE1-CG2 3.41Å; F238-I245 VanDerWaalsContact CE1-CG2 3.41Å; F238-I245 HydrophobicContact CE2-CG2 4.29Å; F238-I245 HydrophobicContact CG-CG2 3.77Å; F238-I245 HydrophobicContact CZ-CG2 3.91Å; F238-A259 HydrophobicContact CE1-CB 4.27Å
239	N	97.8	Very high	97.5	Very high	16 Å²	16	33.3 Å²	33.3	9%	0.086	18%	0.176	C	C	.	.			trans	-76.3	175.5	162	73.9	-31.2	0	0	0	110.6	D241 A242 S243 L244 F301	N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact ND2-OD1 2.79Å; N239-D241 PolarHBondContact O-N 3.42Å; N239-D241 PolarHBondContact OD1-OD1 3.46Å; N239-D241 VanDerWaalsContact OD1-OD1 3.08Å; N239-A242 PolarHBondContact O-N 3.41Å; N239-A242 WeakPolarHBondContact OD1-CA 3.29Å; N239-A242 PolarHBondContact OD1-N 2.97Å; N239-S243 PolarHBondContact ND2-OG 3.16Å; N239-S243 PolarHBondContact OD1-N 3.27Å; N239-L244 HydrophobicContact CB-CB 4.32Å; N239-L244 PolarHBondContact N-O 3.05Å; N239-L244 PolarHBondContact OD1-N 3.01Å; N239-L244 PolarHBondContact OD1-O 2.96Å; N239-F301 VanDerWaalsContact CA-CD2 3.42Å; N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.85Å; N239-F301 HydrophobicContact CB-CD2 3.46Å; N239-F301 VanDerWaalsContact CB-CD2 3.46Å; N239-F301 HydrophobicContact CB-CE1 4.1Å; N239-F301 HydrophobicContact CB-CE2 3.73Å; N239-F301 HydrophobicContact CB-CG 3.52Å; N239-F301 HydrophobicContact CB-CZ 4.04Å; N239-F301 VanDerWaalsContact N-CD2 3.33Å; N239-F301 VanDerWaalsContact N-CE2 3.34Å
240	Q	95.6	Very high	97.5	Very high	168 Å²	168	30.6 Å²	30.6	79%	0.785	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.3	-170.1	-169	-177	-3	0	0	114.1	L195	L195-Q240 HydrophobicContact CD1-CB 4.44Å; L195-Q240 HydrophobicContact CD1-CG 3.91Å
241	D	96.1	Very high	97.5	Very high	110 Å²	110	31.1 Å²	31.1	59%	0.588	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	0.9	178.7	65.8	9.6	0	0	0	113.6	N239 S243	N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact ND2-OD1 2.79Å; N239-D241 PolarHBondContact O-N 3.42Å; N239-D241 PolarHBondContact OD1-OD1 3.46Å; N239-D241 VanDerWaalsContact OD1-OD1 3.08Å; D241-S243 PolarHBondContact O-N 2.69Å; D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.48Å; D241-S243 PolarHBondContact OD1-OG 2.93Å; D241-S243 PolarHBondContact OD2-OG 2.94Å
242	A	97.2	Very high	97.4	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	16%	0.16	C	C	.	.	S	Bend	trans	60.5	17.2	-175.6	0	0	0	0	0	115.5	N194 F238 N239 L244	N194-A242 HydrophobicContact CB-CB 3.68Å; F238-A242 HydrophobicContact CB-CB 4.5Å; F238-A242 HydrophobicContact CD1-CB 3.86Å; F238-A242 HydrophobicContact CG-CB 4.45Å; N239-A242 PolarHBondContact O-N 3.41Å; N239-A242 WeakPolarHBondContact OD1-CA 3.29Å; N239-A242 PolarHBondContact OD1-N 2.97Å; A242-L244 VanDerWaalsContact C-N 3.3Å
243	S	97.2	Very high	97.4	Very high	14 Å²	14	29.7 Å²	29.7	10%	0.098	15%	0.152	C	C	.	.	S	Bend	trans	-74.3	-21.4	175.5	67.9	0	0	0	0	113	N239 D241 A258 A259 E260	N239-S243 PolarHBondContact ND2-OG 3.16Å; N239-S243 PolarHBondContact OD1-N 3.27Å; D241-S243 PolarHBondContact O-N 2.69Å; D241-S243 WeakPolarHBondContact OD1-CB 3.41Å; D241-S243 PolarHBondContact OD1-N 3.48Å; D241-S243 PolarHBondContact OD1-OG 2.93Å; D241-S243 PolarHBondContact OD2-OG 2.94Å; S243-A258 CarbonylContact O-C 3.55Å; S243-A259 PolarHBondContact O-N 3.07Å; S243-E260 PolarHBondContact O-N 2.82Å
244	L	98	Very high	97.4	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.9	-179.3	-55.7	-179.6	0	0	0	112.2	F238 N239 A242 F257 A258 F286 F301 F322	F238-L244 WeakPolarHBondContact CA-O 3.39Å; N239-L244 HydrophobicContact CB-CB 4.32Å; N239-L244 PolarHBondContact N-O 3.05Å; N239-L244 PolarHBondContact OD1-N 3.01Å; N239-L244 PolarHBondContact OD1-O 2.96Å; A242-L244 VanDerWaalsContact C-N 3.3Å; L244-F257 CarbonylContact C-O 3.56Å; L244-F257 VanDerWaalsContact CA-O 3.26Å; L244-F257 WeakPolarHBondContact CA-O 3.4Å; L244-A258 HydrophobicContact CD2-CB 4.26Å; L244-F286 HydrophobicContact CD2-CE1 3.85Å; L244-F286 HydrophobicContact CD2-CZ 4.1Å; L244-F301 HydrophobicContact CB-CE1 3.89Å; L244-F301 HydrophobicContact CB-CE2 4.38Å; L244-F301 HydrophobicContact CB-CZ 3.53Å; L244-F301 HydrophobicContact CD1-CE1 3.92Å; L244-F301 HydrophobicContact CD1-CZ 4.42Å; L244-F322 HydrophobicContact CD1-CE2 4Å; L244-F322 HydrophobicContact CD1-CZ 3.51Å
245	I	98.5	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.2	164	59.9	162.9	0	0	0	111.3	I210 I212 L224 N237 F238 V247 I256 F257 A259	I210-I245 HydrophobicContact CB-CD1 4.5Å; I210-I245 HydrophobicContact CG2-CD1 3.84Å; I212-I245 HydrophobicContact CD1-CD1 4.21Å; I212-I245 HydrophobicContact CD1-CG2 4.35Å; L224-I245 HydrophobicContact CD1-CD1 3.53Å; L224-I245 HydrophobicContact CD1-CG1 4.08Å; N237-I245 CarbonylContact O-C 3.52Å; N237-I245 VanDerWaalsContact O-CA 3.27Å; N237-I245 WeakPolarHBondContact O-CA 3.33Å; F238-I245 HydrophobicContact CD1-CG2 3.32Å; F238-I245 HydrophobicContact CD2-CG2 4.23Å; F238-I245 HydrophobicContact CE1-CG2 3.41Å; F238-I245 VanDerWaalsContact CE1-CG2 3.41Å; F238-I245 HydrophobicContact CE2-CG2 4.29Å; F238-I245 HydrophobicContact CG-CG2 3.77Å; F238-I245 HydrophobicContact CZ-CG2 3.91Å; I245-V247 HydrophobicContact CD1-CG2 4.04Å; I245-I256 WeakPolarHBondContact O-CA 3.3Å; I245-F257 HydrophobicContact CD1-CB 4.36Å; I245-F257 HydrophobicContact CD1-CD2 4.09Å; I245-F257 HydrophobicContact CG1-CB 3.79Å; I245-F257 HydrophobicContact CG1-CD2 4.01Å; I245-F257 HydrophobicContact CG1-CG 4.32Å; I245-F257 PolarHBondContact N-O 3.5Å; I245-F257 PolarHBondContact O-N 2.86Å; I245-A259 HydrophobicContact CG2-CB 4.09Å
246	C	98.6	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.8	168	63.7	0	0	0	0	110.3	I236 N237 V254 H255 F301 V308	I236-C246 WeakPolarHBondContact CA-O 3.15Å; N237-C246 PolarHBondContact N-O 3.09Å; N237-C246 VanDerWaalsContact N-O 3.08Å; N237-C246 PolarHBondContact O-N 2.93Å; C246-V254 HydrophobicContact CB-CG1 4.33Å; C246-H255 CarbonylContact C-O 3.54Å; C246-H255 VanDerWaalsContact CA-O 3.3Å; C246-H255 WeakPolarHBondContact CA-O 3.38Å; C246-F301 HydrophobicContact CB-CE2 3.86Å; C246-F301 HydrophobicContact CB-CZ 3.93Å; C246-V308 HydrophobicContact CB-CG1 4.11Å
247	V	98.7	Very high	97.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.5	-173.3	-177.2	0	0	0	0	109.8	I210 I233 C235 I236 I245 V254 H255 F257	I210-V247 HydrophobicContact CD1-CG1 4Å; I210-V247 HydrophobicContact CG1-CG1 4.31Å; I210-V247 HydrophobicContact CG1-CG2 4.17Å; I233-V247 HydrophobicContact CD1-CG1 4.16Å; I233-V247 HydrophobicContact CG2-CG1 3.94Å; C235-V247 WeakPolarHBondContact O-CA 3.39Å; I236-V247 HydrophobicContact CG1-CG1 4.27Å; I236-V247 HydrophobicContact CG1-CG2 4.29Å; I236-V247 HydrophobicContact CG2-CG2 4.31Å; I245-V247 HydrophobicContact CD1-CG2 4.04Å; V247-V254 CarbonylContact O-C 3.55Å; V247-V254 VanDerWaalsContact O-CA 3.29Å; V247-V254 WeakPolarHBondContact O-CA 3.27Å; V247-H255 HydrophobicContact CB-CB 4.48Å; V247-H255 PolarHBondContact N-O 2.82Å; V247-H255 PolarHBondContact O-N 2.95Å; V247-F257 HydrophobicContact CB-CE2 4.32Å; V247-F257 HydrophobicContact CG2-CD2 4.14Å; V247-F257 HydrophobicContact CG2-CE2 3.9Å
248	S	98.3	Very high	97.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.5	174.5	62.9	0	0	0	0	111.7	Y234 C235 C297 C299	Y234-S248 PolarHBondContact N-O 3.13Å; C235-S248 WeakPolarHBondContact CB-OG 3.43Å; C235-S248 PolarHBondContact N-OG 2.84Å; C235-S248 PolarHBondContact O-N 2.88Å; S248-C297 WeakPolarHBondContact CB-O 3.36Å; S248-C297 PolarHBondContact OG-O 3.1Å; S248-C299 PolarHBondContact N-SG 2.97Å
249	S	97.5	Very high	97.3	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	173.4	177.2	84.4	0	0	0	0	113.3	N232 Y234 H251 G252 T253	N232-S249 CarbonylContact O-C 3.57Å; N232-S249 WeakPolarHBondContact O-CA 3.39Å; N232-S249 VanDerWaalsContact O-CB 3.26Å; N232-S249 WeakPolarHBondContact O-CB 3.08Å; Y234-S249 VanDerWaalsContact CD2-C 3.42Å; Y234-S249 WeakPolarHBondContact CE2-O 3.25Å; S249-H251 PolarHBondContact O-N 2.86Å; S249-H251 VanDerWaalsContact O-N 3.1Å; S249-H251 PolarHBondContact OG-N 3.45Å; S249-G252 PolarHBondContact O-N 2.79Å; S249-T253 PolarHBondContact N-O 3.26Å
250	D	96	Very high	97	Very high	75 Å²	75	29.4 Å²	29.4	40%	0.401	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-1.9	173.5	64.1	-16.4	0	0	0	115.4	A231 N232 Y234 G252	A231-D250 VanDerWaalsContact CA-OD1 3.22Å; A231-D250 WeakPolarHBondContact CA-OD1 3.13Å; A231-D250 WeakPolarHBondContact CB-OD1 3.33Å; N232-D250 HydrophobicContact CB-CB 4.13Å; N232-D250 WeakPolarHBondContact CB-OD2 3.48Å; N232-D250 PolarHBondContact N-OD1 2.87Å; N232-D250 PolarHBondContact N-OD2 2.98Å; N232-D250 PolarHBondContact O-N 2.86Å; Y234-D250 HydrophobicContact CE1-CB 4.39Å; Y234-D250 VanDerWaalsContact CE2-CA 3.46Å; Y234-D250 HydrophobicContact CE2-CB 4.08Å; Y234-D250 WeakPolarHBondContact OH-CA 2.89Å; Y234-D250 WeakPolarHBondContact OH-CB 3.35Å; D250-G252 PolarHBondContact O-N 2.97Å
251	H	96	Very high	96.8	Very high	78 Å²	78	24.6 Å²	24.6	36%	0.361	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4.6	171.2	-77.2	-128.4	0	0	0	112.1	A230 A231 S249 T253	A230-H251 PolarHBondContact O-NE2 2.77Å; A231-H251 VanDerWaalsContact CB-CD2 3.42Å; A231-H251 WeakPolarHBondContact CB-CD2 3.26Å; S249-H251 PolarHBondContact O-N 2.86Å; S249-H251 VanDerWaalsContact O-N 3.1Å; S249-H251 PolarHBondContact OG-N 3.45Å; H251-T253 PolarHBondContact O-N 3.32Å
252	G	94.6	Very high	96.3	Very high	9 Å²	9	21.5 Å²	21.5	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	66.5	23.2	-178.8	0	0	0	0	0	112.9	S249 D250 Q290 V291	S249-G252 PolarHBondContact O-N 2.79Å; D250-G252 PolarHBondContact O-N 2.97Å; G252-Q290 WeakPolarHBondContact O-CA 3.32Å; G252-V291 PolarHBondContact O-N 2.92Å
253	T	96.2	Very high	95.9	Very high	24 Å²	24	30.4 Å²	30.4	15%	0.147	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.7	179.1	60.8	0	0	0	0	111.6	S249 H251 H255 F289	S249-T253 PolarHBondContact N-O 3.26Å; H251-T253 PolarHBondContact O-N 3.32Å; T253-H255 PolarHBondContact OG1-CD2 2.87Å; T253-H255 PolarHBondContact OG1-NE2 3.16Å; T253-F289 VanDerWaalsContact CA-O 3.32Å; T253-F289 WeakPolarHBondContact CA-O 3.3Å
254	V	98.3	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.1	166	-178.8	0	0	0	0	108.3	C246 V247 K288 F289 V291 C299 V308	C246-V254 HydrophobicContact CB-CG1 4.33Å; V247-V254 CarbonylContact O-C 3.55Å; V247-V254 VanDerWaalsContact O-CA 3.29Å; V247-V254 WeakPolarHBondContact O-CA 3.27Å; V254-K288 CarbonylContact O-C 3.6Å; V254-K288 WeakPolarHBondContact O-CA 3.11Å; V254-K288 WeakPolarHBondContact O-CB 3.25Å; V254-F289 HydrophobicContact CB-CD1 4.27Å; V254-F289 HydrophobicContact CB-CD2 4.17Å; V254-F289 HydrophobicContact CB-CE1 3.72Å; V254-F289 HydrophobicContact CB-CE2 3.6Å; V254-F289 HydrophobicContact CB-CG 4.48Å; V254-F289 HydrophobicContact CB-CZ 3.37Å; V254-F289 HydrophobicContact CG1-CE1 3.86Å; V254-F289 HydrophobicContact CG1-CE2 4.43Å; V254-F289 HydrophobicContact CG1-CZ 3.71Å; V254-F289 HydrophobicContact CG2-CD2 4.39Å; V254-F289 HydrophobicContact CG2-CE1 4.46Å; V254-F289 HydrophobicContact CG2-CE2 3.56Å; V254-F289 HydrophobicContact CG2-CZ 3.62Å; V254-F289 PolarHBondContact N-O 2.8Å; V254-F289 PolarHBondContact O-N 3.01Å; V254-V291 HydrophobicContact CG2-CG2 3.97Å; V254-C299 HydrophobicContact CG1-CB 4.01Å; V254-C299 HydrophobicContact CG2-CB 4.28Å; V254-V308 HydrophobicContact CG1-CG1 4.14Å
255	H	98.3	Very high	95.5	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.06	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.1	177.8	-73.5	-109	0	0	0	110.5	R226 C246 V247 T253 F257 S285	R226-H255 PolarHBondContact O-CE1 3.32Å; C246-H255 CarbonylContact C-O 3.54Å; C246-H255 VanDerWaalsContact CA-O 3.3Å; C246-H255 WeakPolarHBondContact CA-O 3.38Å; V247-H255 HydrophobicContact CB-CB 4.48Å; V247-H255 PolarHBondContact N-O 2.82Å; V247-H255 PolarHBondContact O-N 2.95Å; T253-H255 PolarHBondContact OG1-CD2 2.87Å; T253-H255 PolarHBondContact OG1-NE2 3.16Å; H255-F257 HydrophobicContact CB-CD2 4.27Å; H255-F257 HydrophobicContact CB-CE2 3.47Å; H255-F257 VanDerWaalsContact CB-CE2 3.47Å; H255-F257 HydrophobicContact CB-CZ 3.91Å; H255-S285 PolarHBondContact ND1-OG 2.79Å
256	I	98.4	Very high	95.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.7	177.5	-48.5	169.1	0	0	0	108.3	I245 S285 F286 S287 F289 F301 V308 F322	I245-I256 WeakPolarHBondContact O-CA 3.3Å; I256-S285 WeakPolarHBondContact O-CA 3.21Å; I256-S285 VanDerWaalsContact O-CB 3.24Å; I256-S285 WeakPolarHBondContact O-CB 3.31Å; I256-F286 HydrophobicContact CB-CE1 4.37Å; I256-F286 HydrophobicContact CB-CZ 4.35Å; I256-F286 HydrophobicContact CG2-CE1 3.79Å; I256-F286 HydrophobicContact CG2-CZ 3.68Å; I256-F286 WeakPolarHBondContact O-CD1 3.26Å; I256-F286 PolarHBondContact O-N 3.33Å; I256-S287 PolarHBondContact N-O 3.45Å; I256-S287 PolarHBondContact O-N 2.79Å; I256-F289 HydrophobicContact CD1-CE1 4.42Å; I256-F301 HydrophobicContact CG2-CE1 4.34Å; I256-F301 HydrophobicContact CG2-CZ 4.36Å; I256-V308 HydrophobicContact CD1-CB 4.45Å; I256-V308 HydrophobicContact CD1-CG2 3.64Å; I256-V308 HydrophobicContact CG1-CG2 4.14Å; I256-F322 HydrophobicContact CD1-CB 4.18Å; I256-F322 HydrophobicContact CD1-CD1 3.44Å; I256-F322 VanDerWaalsContact CD1-CD1 3.44Å; I256-F322 HydrophobicContact CD1-CE1 3.95Å; I256-F322 HydrophobicContact CD1-CG 3.87Å; I256-F322 HydrophobicContact CG2-CE1 4.4Å; I256-F322 HydrophobicContact CG2-CZ 4.35Å
257	F	98.2	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.2	-179.6	-55.7	-98.7	0	0	0	110.3	L224 R225 R226 L244 I245 V247 H255 A259 N265 S285	L224-F257 HydrophobicContact CB-CD1 3.84Å; L224-F257 HydrophobicContact CB-CE1 3.96Å; L224-F257 HydrophobicContact CB-CG 4.31Å; L224-F257 HydrophobicContact CD1-CB 3.69Å; L224-F257 HydrophobicContact CD1-CD1 4.2Å; L224-F257 HydrophobicContact CD1-CG 3.94Å; L224-F257 HydrophobicContact CD2-CB 4.25Å; L224-F257 HydrophobicContact CD2-CD1 3.93Å; L224-F257 HydrophobicContact CD2-CG 4.41Å; L224-F257 HydrophobicContact CG-CB 4.48Å; L224-F257 HydrophobicContact CG-CD1 4.22Å; L224-F257 HydrophobicContact CG-CG 4.46Å; R225-F257 WeakPolarHBondContact O-CE1 3.25Å; R226-F257 HydrophobicContact CB-CZ 4.16Å; L244-F257 CarbonylContact C-O 3.56Å; L244-F257 VanDerWaalsContact CA-O 3.26Å; L244-F257 WeakPolarHBondContact CA-O 3.4Å; I245-F257 HydrophobicContact CD1-CB 4.36Å; I245-F257 HydrophobicContact CD1-CD2 4.09Å; I245-F257 HydrophobicContact CG1-CB 3.79Å; I245-F257 HydrophobicContact CG1-CD2 4.01Å; I245-F257 HydrophobicContact CG1-CG 4.32Å; I245-F257 PolarHBondContact N-O 3.5Å; I245-F257 PolarHBondContact O-N 2.86Å; V247-F257 HydrophobicContact CB-CE2 4.32Å; V247-F257 HydrophobicContact CG2-CD2 4.14Å; V247-F257 HydrophobicContact CG2-CE2 3.9Å; H255-F257 HydrophobicContact CB-CD2 4.27Å; H255-F257 HydrophobicContact CB-CE2 3.47Å; H255-F257 VanDerWaalsContact CB-CE2 3.47Å; H255-F257 HydrophobicContact CB-CZ 3.91Å; F257-A259 PolarHBondContact O-N 3.03Å; F257-N265 WeakPolarHBondContact CA-OD1 3.39Å; F257-S285 VanDerWaalsContact CD1-N 3.33Å; F257-S285 VanDerWaalsContact CE1-CA 3.48Å
258	A	96.8	Very high	93.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	114.8	163.1	0	0	0	0	0	108.5	Q222 S243 L244 D261 R264 N265 F286	Q222-A258 PolarHBondContact OE1-O 2.94Å; S243-A258 CarbonylContact O-C 3.55Å; L244-A258 HydrophobicContact CD2-CB 4.26Å; A258-D261 WeakPolarHBondContact CB-O 3.42Å; A258-R264 HydrophobicContact CB-CB 3.71Å; A258-N265 PolarHBondContact N-OD1 3.27Å; A258-N265 PolarHBondContact O-ND2 3.16Å; A258-F286 HydrophobicContact CB-CD1 4.37Å; A258-F286 HydrophobicContact CB-CE1 4.45Å
259	A	96.2	Very high	92.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-84.9	-28	179.7	0	0	0	0	0	112.3	I212 Q222 F238 S243 I245 F257	I212-A259 HydrophobicContact CD1-CB 3.57Å; Q222-A259 PolarHBondContact NE2-O 3.45Å; F238-A259 HydrophobicContact CE1-CB 4.27Å; S243-A259 PolarHBondContact O-N 3.07Å; I245-A259 HydrophobicContact CG2-CB 4.09Å; F257-A259 PolarHBondContact O-N 3.03Å
260	E	92.9	Very high	91.7	Very high	113 Å²	113	55.6 Å²	55.6	53%	0.528	28%	0.281	S	S	.	.	S	Bend	trans	-95.6	-54.6	-178.7	-178.3	169.5	-147.3	0	0	112.6	S243 P262	S243-E260 PolarHBondContact O-N 2.82Å; E260-P262 WeakPolarHBondContact O-CD 3.28Å
261	D	91.8	Very high	90.6	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	27%	0.271	S	S	.	.			trans	-96.9	98.5	178.5	-179	6.3	0	0	0	111.3	A258 K263 R264	A258-D261 WeakPolarHBondContact CB-O 3.42Å; D261-K263 PolarHBondContact O-N 3.02Å; D261-K263 VanDerWaalsContact O-N 3.15Å; D261-K263 VanDerWaalsContact OD1-CB 3.32Å; D261-K263 WeakPolarHBondContact OD1-CB 3.22Å; D261-K263 PolarHBondContact OD1-N 3.29Å; D261-R264 HydrophobicContact CB-CG 4.27Å; D261-R264 PolarHBondContact O-N 3.31Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å
262	P	85.6	Confident	89.6	Confident	44 Å²	44	54.9 Å²	54.9	29%	0.286	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-64.8	-18.7	-178.6	26.1	-34	0	0	0	113.8	E260 R264 N265 K283	E260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-R264 PolarHBondContact O-N 2.85Å; P262-N265 WeakPolarHBondContact O-CB 3.13Å; P262-N265 PolarHBondContact O-N 3Å; P262-K283 HydrophobicContact CB-CD 3.83Å
263	K	88.7	Confident	88.5	Confident	191 Å²	191	56.4 Å²	56.4	83%	0.83	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-72	-21	-178.3	-62	178.3	-179.9	175.9	0	112.3	D261 N265	D261-K263 PolarHBondContact O-N 3.02Å; D261-K263 VanDerWaalsContact O-N 3.15Å; D261-K263 VanDerWaalsContact OD1-CB 3.32Å; D261-K263 WeakPolarHBondContact OD1-CB 3.22Å; D261-K263 PolarHBondContact OD1-N 3.29Å; K263-N265 VanDerWaalsContact C-N 3.3Å
264	R	92.3	Very high	87.4	Confident	106 Å²	106	60.2 Å²	60.2	40%	0.4	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-73	-24.9	175	-69.8	173.4	62.8	-168.6	-2	112.4	A258 D261 P262 F286	A258-R264 HydrophobicContact CB-CB 3.71Å; D261-R264 HydrophobicContact CB-CG 4.27Å; D261-R264 PolarHBondContact O-N 3.31Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å; P262-R264 PolarHBondContact O-N 2.85Å; R264-F286 WeakPolarHBondContact O-CB 3.19Å
265	N	94.1	Very high	86.5	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.048	37%	0.372	C	S	.	.	S	Bend	trans	-72	146.5	178.3	-70.5	-41.2	0	0	0	111.1	L224 F257 A258 P262 K263 K283 W284	L224-N265 WeakPolarHBondContact CD2-ND2 3.18Å; F257-N265 WeakPolarHBondContact CA-OD1 3.39Å; A258-N265 PolarHBondContact N-OD1 3.27Å; A258-N265 PolarHBondContact O-ND2 3.16Å; P262-N265 WeakPolarHBondContact O-CB 3.13Å; P262-N265 PolarHBondContact O-N 3Å; K263-N265 VanDerWaalsContact C-N 3.3Å; N265-K283 HydrophobicContact CB-CB 4.11Å; N265-W284 VanDerWaalsContact CB-O 3.26Å; N265-W284 WeakPolarHBondContact CB-O 3.31Å
266	K	90.8	Very high	85.4	Confident	115 Å²	115	72 Å²	72	50%	0.5	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.7	175	-75.3	171.7	-177.2	165.8	0	109.1	K283 W284 F286	K266-K283 CarbonylContact O-C 3.58Å; K266-W284 HydrophobicContact CB-CB 4.17Å; K266-W284 HydrophobicContact CB-CE3 4.45Å; K266-W284 PolarHBondContact N-O 3.22Å; K266-W284 PolarHBondContact O-N 2.86Å; K266-F286 VanDerWaalsContact CE-O 3.23Å; K266-F286 WeakPolarHBondContact CE-O 3.37Å; K266-F286 PolarHBondContact NZ-O 3.22Å; K266-F286 VanDerWaalsContact NZ-O 3.13Å
267	Q	87.6	Confident	84.3	Confident	102 Å²	102	75.9 Å²	75.9	48%	0.477	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153	176.1	-173.4	172.2	33.6	0	0	108.9	A271 S281	Q267-A271 VanDerWaalsContact CD-CB 3.47Å; Q267-A271 HydrophobicContact CG-CB 3.45Å; Q267-A271 VanDerWaalsContact CG-CB 3.45Å; Q267-S281 PolarHBondContact NE2-O 3.29Å
268	S	81.1	Confident	83.4	Confident	26 Å²	26	84 Å²	84	18%	0.182	45%	0.446	C	S	.	.			trans	-64.5	144	177.4	-167.6	0	0	0	0	109.6	L270 A271 F280	S268-L270 PolarHBondContact O-N 3.32Å; S268-L270 VanDerWaalsContact O-N 3.14Å; S268-L270 PolarHBondContact OG-N 2.97Å; S268-A271 WeakPolarHBondContact O-CB 3.46Å; S268-A271 PolarHBondContact O-N 3.37Å; S268-F280 WeakPolarHBondContact CB-O 3.26Å
269	S	76.1	Confident	82.5	Confident	112 Å²	112	88.3 Å²	88.3	78%	0.783	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.5	167	51.8	0	0	0	0	112.4
270	L	75.8	Confident	81.5	Confident	84 Å²	84	91.4 Å²	91.4	44%	0.44	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	10.6	179	-53.4	177.2	0	0	0	113.6	S268 S272 A273 L276 F280	S268-L270 PolarHBondContact O-N 3.32Å; S268-L270 VanDerWaalsContact O-N 3.14Å; S268-L270 PolarHBondContact OG-N 2.97Å; L270-S272 PolarHBondContact O-N 2.74Å; L270-S272 VanDerWaalsContact O-N 3.14Å; L270-A273 WeakPolarHBondContact O-CB 3.41Å; L270-A273 PolarHBondContact O-N 3.15Å; L270-L276 HydrophobicContact CB-CD1 3.4Å; L270-L276 HydrophobicContact CD1-CD1 3.85Å; L270-L276 HydrophobicContact CG-CD1 4.21Å; L270-F280 HydrophobicContact CB-CD1 4.28Å; L270-F280 HydrophobicContact CD1-CD1 4.18Å; L270-F280 HydrophobicContact CD1-CE1 4.2Å
271	A	72.1	Confident	80.9	Confident	23 Å²	23	88.9 Å²	88.9	19%	0.19	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	-174.5	0	0	0	0	0	115.1	Q267 S268 F280	Q267-A271 VanDerWaalsContact CD-CB 3.47Å; Q267-A271 HydrophobicContact CG-CB 3.45Å; Q267-A271 VanDerWaalsContact CG-CB 3.45Å; S268-A271 WeakPolarHBondContact O-CB 3.46Å; S268-A271 PolarHBondContact O-N 3.37Å; A271-F280 WeakPolarHBondContact CA-O 3.32Å; A271-F280 WeakPolarHBondContact CB-O 3.47Å
272	S	75.3	Confident	80.6	Confident	115 Å²	115	86.2 Å²	86.2	80%	0.804	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13	175.9	55.3	0	0	0	0	113.6	L270 S274	L270-S272 PolarHBondContact O-N 2.74Å; L270-S272 VanDerWaalsContact O-N 3.14Å; S272-S274 PolarHBondContact O-N 2.85Å; S272-S274 VanDerWaalsContact O-N 3.13Å
273	A	71.1	Confident	80.8	Confident	40 Å²	40	87 Å²	87	33%	0.331	46%	0.457	S	S	.	.			trans	-77.6	101.3	178.8	0	0	0	0	0	110	L270 F275 L276	L270-A273 WeakPolarHBondContact O-CB 3.41Å; L270-A273 PolarHBondContact O-N 3.15Å; A273-F275 PolarHBondContact O-N 2.76Å; A273-F275 VanDerWaalsContact O-N 3.16Å; A273-L276 HydrophobicContact CB-CD1 3.72Å; A273-L276 HydrophobicContact CB-CG 3.81Å; A273-L276 PolarHBondContact O-N 2.91Å; A273-L276 VanDerWaalsContact O-N 3.12Å
274	S	74.2	Confident	80.9	Confident	105 Å²	105	80.2 Å²	80.2	73%	0.734	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.6	-175.7	53.8	0	0	0	0	114.7	S272 L276	S272-S274 PolarHBondContact O-N 2.85Å; S272-S274 VanDerWaalsContact O-N 3.13Å; S274-L276 VanDerWaalsContact C-N 3.31Å
275	F	78.4	Confident	81	Confident	197 Å²	197	75.6 Å²	75.6	86%	0.864	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.1	178.9	-54.7	-77.6	0	0	0	113.5	A273	A273-F275 PolarHBondContact O-N 2.76Å; A273-F275 VanDerWaalsContact O-N 3.16Å
276	L	75.4	Confident	81.1	Confident	63 Å²	63	75.5 Å²	75.5	33%	0.33	41%	0.409	S	S	.	.	S	Bend	trans	-86.1	152.4	-178.7	-65.6	-176	0	0	0	112.2	L270 A273 S274 F280	L270-L276 HydrophobicContact CB-CD1 3.4Å; L270-L276 HydrophobicContact CD1-CD1 3.85Å; L270-L276 HydrophobicContact CG-CD1 4.21Å; A273-L276 HydrophobicContact CB-CD1 3.72Å; A273-L276 HydrophobicContact CB-CG 3.81Å; A273-L276 PolarHBondContact O-N 2.91Å; A273-L276 VanDerWaalsContact O-N 3.12Å; S274-L276 VanDerWaalsContact C-N 3.31Å; L276-F280 HydrophobicContact CB-CB 4Å; L276-F280 HydrophobicContact CB-CD2 3.86Å; L276-F280 HydrophobicContact CB-CG 4.09Å; L276-F280 HydrophobicContact CD1-CB 4.03Å; L276-F280 HydrophobicContact CD1-CD1 4.18Å; L276-F280 HydrophobicContact CD1-CD2 4.25Å; L276-F280 HydrophobicContact CD1-CG 3.89Å
277	P	76.7	Confident	81.4	Confident	82 Å²	82	70 Å²	70	53%	0.532	39%	0.385	S	S	.	.			trans	-51.1	144.9	171.5	-27	33.7	0	0	0	112.2	Y279 F280	P277-Y279 PolarHBondContact O-N 3.03Å; P277-F280 HydrophobicContact CB-CD2 4.23Å; P277-F280 HydrophobicContact CB-CE2 4.49Å; P277-F280 HydrophobicContact CG-CD2 4.31Å; P277-F280 HydrophobicContact CG-CE2 4.22Å; P277-F280 PolarHBondContact O-N 3.35Å
278	K	79.1	Confident	81.8	Confident	170 Å²	170	71 Å²	71	74%	0.739	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-20.4	178.9	-68.6	-172.7	178.5	-177.2	0	114.5	F280 S281 S282	K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.99Å; K278-S281 PolarHBondContact O-N 3.22Å; K278-S281 PolarHBondContact O-OG 3.22Å; K278-S281 VanDerWaalsContact O-OG 3.14Å; K278-S282 PolarHBondContact O-N 3.34Å; K278-S282 PolarHBondContact O-OG 2.97Å
279	Y	77	Confident	82.6	Confident	91 Å²	91	70.3 Å²	70.3	36%	0.357	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-42.8	171.4	-177.3	-95.8	0	0	0	112.5	P277 S281 S282 W284	P277-Y279 PolarHBondContact O-N 3.03Å; Y279-S281 VanDerWaalsContact C-N 3.34Å; Y279-S281 PolarHBondContact O-N 2.85Å; Y279-S282 WeakPolarHBondContact O-CB 3.21Å; Y279-S282 PolarHBondContact O-N 3.04Å; Y279-S282 VanDerWaalsContact O-N 3.16Å; Y279-S282 PolarHBondContact O-OG 3.15Å; Y279-W284 AromaticContact CD1-CZ2 3.99Å; Y279-W284 HydrophobicContact CD1-CZ2 3.99Å; Y279-W284 HydrophobicContact CE1-CH2 4.16Å; Y279-W284 AromaticContact CE1-CZ2 3.51Å; Y279-W284 HydrophobicContact CE1-CZ2 3.51Å; Y279-W284 HydrophobicContact CE2-CZ2 4.08Å; Y279-W284 AromaticContact CE2-NE1 3.95Å; Y279-W284 HydrophobicContact CG-CZ2 4.47Å; Y279-W284 AromaticContact CZ-CZ2 3.55Å; Y279-W284 WeakPolarHBondContact O-CZ2 3.39Å
280	F	75	Confident	83.5	Confident	65 Å²	65	71.8 Å²	71.8	29%	0.285	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.7	-176.9	-69.5	-86.1	0	0	0	112.7	S268 L270 A271 L276 P277 K278 S282	S268-F280 WeakPolarHBondContact CB-O 3.26Å; L270-F280 HydrophobicContact CB-CD1 4.28Å; L270-F280 HydrophobicContact CD1-CD1 4.18Å; L270-F280 HydrophobicContact CD1-CE1 4.2Å; A271-F280 WeakPolarHBondContact CA-O 3.32Å; A271-F280 WeakPolarHBondContact CB-O 3.47Å; L276-F280 HydrophobicContact CB-CB 4Å; L276-F280 HydrophobicContact CB-CD2 3.86Å; L276-F280 HydrophobicContact CB-CG 4.09Å; L276-F280 HydrophobicContact CD1-CB 4.03Å; L276-F280 HydrophobicContact CD1-CD1 4.18Å; L276-F280 HydrophobicContact CD1-CD2 4.25Å; L276-F280 HydrophobicContact CD1-CG 3.89Å; P277-F280 HydrophobicContact CB-CD2 4.23Å; P277-F280 HydrophobicContact CB-CE2 4.49Å; P277-F280 HydrophobicContact CG-CD2 4.31Å; P277-F280 HydrophobicContact CG-CE2 4.22Å; P277-F280 PolarHBondContact O-N 3.35Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.99Å; F280-S282 VanDerWaalsContact C-N 3.3Å
281	S	80.4	Confident	84.5	Confident	59 Å²	59	67.8 Å²	67.8	41%	0.413	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.4	174	57.1	0	0	0	0	114	Q267 K278 Y279	Q267-S281 PolarHBondContact NE2-O 3.29Å; K278-S281 PolarHBondContact O-N 3.22Å; K278-S281 PolarHBondContact O-OG 3.22Å; K278-S281 VanDerWaalsContact O-OG 3.14Å; Y279-S281 VanDerWaalsContact C-N 3.34Å; Y279-S281 PolarHBondContact O-N 2.85Å
282	S	85.3	Confident	85.5	Confident	12 Å²	12	70 Å²	70	8%	0.084	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-72.4	150.2	-176	-62.5	0	0	0	0	113.5	R225 K278 Y279 F280	R225-S282 VanDerWaalsContact NE-CB 3.28Å; R225-S282 PolarHBondContact NE-OG 3.46Å; R225-S282 PolarHBondContact NH2-OG 3.27Å; K278-S282 PolarHBondContact O-N 3.34Å; K278-S282 PolarHBondContact O-OG 2.97Å; Y279-S282 WeakPolarHBondContact O-CB 3.21Å; Y279-S282 PolarHBondContact O-N 3.04Å; Y279-S282 VanDerWaalsContact O-N 3.16Å; Y279-S282 PolarHBondContact O-OG 3.15Å; F280-S282 VanDerWaalsContact C-N 3.3Å
283	K	89.9	Confident	86.1	Confident	61 Å²	61	66.8 Å²	66.8	27%	0.265	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.3	174.3	-64.8	172.7	-175.8	166.5	0	109.8	L224 R225 P262 N265 K266	L224-K283 HydrophobicContact CD2-CB 4.25Å; R225-K283 PolarHBondContact N-O 3.28Å; P262-K283 HydrophobicContact CB-CD 3.83Å; N265-K283 HydrophobicContact CB-CB 4.11Å; K266-K283 CarbonylContact O-C 3.58Å
284	W	91.6	Very high	87.1	Confident	48 Å²	48	67 Å²	67	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	161.6	177.8	-59.6	-70	0	0	0	111.9	N265 K266 Y279 F286	N265-W284 VanDerWaalsContact CB-O 3.26Å; N265-W284 WeakPolarHBondContact CB-O 3.31Å; K266-W284 HydrophobicContact CB-CB 4.17Å; K266-W284 HydrophobicContact CB-CE3 4.45Å; K266-W284 PolarHBondContact N-O 3.22Å; K266-W284 PolarHBondContact O-N 2.86Å; Y279-W284 AromaticContact CD1-CZ2 3.99Å; Y279-W284 HydrophobicContact CD1-CZ2 3.99Å; Y279-W284 HydrophobicContact CE1-CH2 4.16Å; Y279-W284 AromaticContact CE1-CZ2 3.51Å; Y279-W284 HydrophobicContact CE1-CZ2 3.51Å; Y279-W284 HydrophobicContact CE2-CZ2 4.08Å; Y279-W284 AromaticContact CE2-NE1 3.95Å; Y279-W284 HydrophobicContact CG-CZ2 4.47Å; Y279-W284 AromaticContact CZ-CZ2 3.55Å; Y279-W284 WeakPolarHBondContact O-CZ2 3.39Å; W284-F286 PolarHBondContact O-N 2.88Å
285	S	94.8	Very high	88.2	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.063	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-55.7	129.1	176.3	57.6	0	0	0	0	110.9	H255 I256 F257 S287	H255-S285 PolarHBondContact ND1-OG 2.79Å; I256-S285 WeakPolarHBondContact O-CA 3.21Å; I256-S285 VanDerWaalsContact O-CB 3.24Å; I256-S285 WeakPolarHBondContact O-CB 3.31Å; F257-S285 VanDerWaalsContact CD1-N 3.33Å; F257-S285 VanDerWaalsContact CE1-CA 3.48Å; S285-S287 VanDerWaalsContact C-N 3.25Å; S285-S287 WeakPolarHBondContact CB-O 3.32Å; S285-S287 PolarHBondContact O-N 3.44Å
286	F	95.8	Very high	89	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-68.1	-33.1	176	72.3	-90.2	0	0	0	111.2	L244 I256 A258 R264 K266 W284 F322 G326	L244-F286 HydrophobicContact CD2-CE1 3.85Å; L244-F286 HydrophobicContact CD2-CZ 4.1Å; I256-F286 HydrophobicContact CB-CE1 4.37Å; I256-F286 HydrophobicContact CB-CZ 4.35Å; I256-F286 HydrophobicContact CG2-CE1 3.79Å; I256-F286 HydrophobicContact CG2-CZ 3.68Å; I256-F286 WeakPolarHBondContact O-CD1 3.26Å; I256-F286 PolarHBondContact O-N 3.33Å; A258-F286 HydrophobicContact CB-CD1 4.37Å; A258-F286 HydrophobicContact CB-CE1 4.45Å; R264-F286 WeakPolarHBondContact O-CB 3.19Å; K266-F286 VanDerWaalsContact CE-O 3.23Å; K266-F286 WeakPolarHBondContact CE-O 3.37Å; K266-F286 PolarHBondContact NZ-O 3.22Å; K266-F286 VanDerWaalsContact NZ-O 3.13Å; W284-F286 PolarHBondContact O-N 2.88Å; F286-F322 AromaticContact CE2-CD2 3.88Å; F286-F322 HydrophobicContact CE2-CD2 3.88Å; F286-F322 HydrophobicContact CE2-CE2 4.06Å; F286-F322 HydrophobicContact CZ-CD2 4.08Å; F286-F322 AromaticContact CZ-CE2 3.83Å; F286-F322 HydrophobicContact CZ-CE2 3.83Å; F286-G326 WeakPolarHBondContact O-CA 3.19Å
287	S	96.8	Very high	90.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.1	178	-166.5	0	0	0	0	111.4	I256 S285 G326 C328	I256-S287 PolarHBondContact N-O 3.45Å; I256-S287 PolarHBondContact O-N 2.79Å; S285-S287 VanDerWaalsContact C-N 3.25Å; S285-S287 WeakPolarHBondContact CB-O 3.32Å; S285-S287 PolarHBondContact O-N 3.44Å; S287-G326 WeakPolarHBondContact CB-O 3.29Å; S287-G326 PolarHBondContact OG-O 2.82Å; S287-C328 PolarHBondContact OG-SG 3.14Å
288	K	96.5	Very high	91.1	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.535	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	153.7	173	64	173.2	-173.5	172	0	109.6	V254	V254-K288 CarbonylContact O-C 3.6Å; V254-K288 WeakPolarHBondContact O-CA 3.11Å; V254-K288 WeakPolarHBondContact O-CB 3.25Å
289	F	96.7	Very high	92.1	Very high	11 Å²	11	40 Å²	40	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.8	169.5	59.4	-94.5	0	0	0	110.9	T253 V254 I256 V291 V308 F320 C328	T253-F289 VanDerWaalsContact CA-O 3.32Å; T253-F289 WeakPolarHBondContact CA-O 3.3Å; V254-F289 HydrophobicContact CB-CD1 4.27Å; V254-F289 HydrophobicContact CB-CD2 4.17Å; V254-F289 HydrophobicContact CB-CE1 3.72Å; V254-F289 HydrophobicContact CB-CE2 3.6Å; V254-F289 HydrophobicContact CB-CG 4.48Å; V254-F289 HydrophobicContact CB-CZ 3.37Å; V254-F289 HydrophobicContact CG1-CE1 3.86Å; V254-F289 HydrophobicContact CG1-CE2 4.43Å; V254-F289 HydrophobicContact CG1-CZ 3.71Å; V254-F289 HydrophobicContact CG2-CD2 4.39Å; V254-F289 HydrophobicContact CG2-CE1 4.46Å; V254-F289 HydrophobicContact CG2-CE2 3.56Å; V254-F289 HydrophobicContact CG2-CZ 3.62Å; V254-F289 PolarHBondContact N-O 2.8Å; V254-F289 PolarHBondContact O-N 3.01Å; I256-F289 HydrophobicContact CD1-CE1 4.42Å; F289-V291 HydrophobicContact CE2-CG2 4.42Å; F289-V308 HydrophobicContact CE1-CB 3.94Å; F289-V308 HydrophobicContact CE1-CG1 3.83Å; F289-V308 HydrophobicContact CZ-CB 4.33Å; F289-V308 HydrophobicContact CZ-CG1 3.88Å; F289-F320 HydrophobicContact CB-CD1 4.07Å; F289-F320 HydrophobicContact CB-CE1 4.17Å; F289-F320 HydrophobicContact CB-CG 4.45Å; F289-F320 HydrophobicContact CD1-CB 4Å; F289-F320 HydrophobicContact CD1-CD1 4.44Å; F289-F320 HydrophobicContact CD1-CD2 4.32Å; F289-F320 HydrophobicContact CD1-CG 4.02Å; F289-F320 HydrophobicContact CD2-CD1 4.12Å; F289-F320 AromaticContact CD2-CD2 3.54Å; F289-F320 HydrophobicContact CD2-CD2 3.54Å; F289-F320 HydrophobicContact CD2-CE1 4.07Å; F289-F320 AromaticContact CD2-CE2 3.47Å; F289-F320 HydrophobicContact CD2-CE2 3.47Å; F289-F320 VanDerWaalsContact CD2-CE2 3.47Å; F289-F320 AromaticContact CD2-CG 3.87Å; F289-F320 HydrophobicContact CD2-CG 3.87Å; F289-F320 AromaticContact CD2-CZ 3.76Å; F289-F320 HydrophobicContact CD2-CZ 3.76Å; F289-F320 HydrophobicContact CE1-CB 3.97Å; F289-F320 HydrophobicContact CE1-CD2 4.15Å; F289-F320 HydrophobicContact CE1-CG 4.15Å; F289-F320 AromaticContact CE2-CD2 3.33Å; F289-F320 HydrophobicContact CE2-CD2 3.33Å; F289-F320 AromaticContact CE2-CE2 3.45Å; F289-F320 HydrophobicContact CE2-CE2 3.45Å; F289-F320 VanDerWaalsContact CE2-CE2 3.45Å; F289-F320 HydrophobicContact CE2-CG 4.01Å; F289-F320 HydrophobicContact CE2-CZ 4.22Å; F289-F320 HydrophobicContact CG-CB 4.35Å; F289-F320 AromaticContact CG-CD1 3.97Å; F289-F320 HydrophobicContact CG-CD1 3.97Å; F289-F320 HydrophobicContact CG-CD2 4.03Å; F289-F320 HydrophobicContact CG-CE1 4.24Å; F289-F320 HydrophobicContact CG-CE2 4.27Å; F289-F320 AromaticContact CG-CG 3.86Å; F289-F320 HydrophobicContact CG-CG 3.86Å; F289-F320 HydrophobicContact CG-CZ 4.38Å; F289-F320 HydrophobicContact CZ-CB 4.28Å; F289-F320 AromaticContact CZ-CD2 3.64Å; F289-F320 HydrophobicContact CZ-CD2 3.64Å; F289-F320 HydrophobicContact CZ-CE2 4.23Å; F289-F320 HydrophobicContact CZ-CG 4.12Å; F289-C328 HydrophobicContact CB-CB 3.93Å
290	Q	96.7	Very high	93.1	Very high	142 Å²	142	35.7 Å²	35.7	66%	0.664	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.7	171.5	-175.1	171.6	-3.4	0	0	108.9	G252 P292	G252-Q290 WeakPolarHBondContact O-CA 3.32Å; Q290-P292 VanDerWaalsContact O-CD 3.3Å; Q290-P292 WeakPolarHBondContact O-CD 3.17Å
291	V	96	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.			trans	-73.8	114.9	171.6	-178.9	0	0	0	0	106.9	G252 V254 F289 S293 G294 Y318	G252-V291 PolarHBondContact O-N 2.92Å; V254-V291 HydrophobicContact CG2-CG2 3.97Å; F289-V291 HydrophobicContact CE2-CG2 4.42Å; V291-S293 VanDerWaalsContact C-N 3.27Å; V291-S293 PolarHBondContact O-N 2.91Å; V291-G294 PolarHBondContact O-N 3.18Å; V291-Y318 HydrophobicContact CG1-CD2 4.31Å; V291-Y318 HydrophobicContact CG1-CE2 4.04Å
292	P	93.7	Very high	95	Very high	69 Å²	69	31.4 Å²	31.4	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.3	-169.2	-29.4	37	0	0	0	114.7	Q290 G294 Y318 F320	Q290-P292 VanDerWaalsContact O-CD 3.3Å; Q290-P292 WeakPolarHBondContact O-CD 3.17Å; P292-G294 VanDerWaalsContact C-N 3.31Å; P292-Y318 HydrophobicContact CB-CE1 4.16Å; P292-Y318 HydrophobicContact CG-CD1 4.24Å; P292-Y318 HydrophobicContact CG-CE1 3.71Å; P292-F320 HydrophobicContact CG-CZ 4.3Å
293	S	88.1	Confident	95.5	Very high	48 Å²	48	35.9 Å²	35.9	34%	0.336	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.9	177.2	63.8	0	0	0	0	114.3	V291 S295 D314	V291-S293 VanDerWaalsContact C-N 3.27Å; V291-S293 PolarHBondContact O-N 2.91Å; S293-S295 PolarHBondContact O-N 2.99Å; S293-S295 WeakPolarHBondContact OG-CB 3.49Å; S293-S295 PolarHBondContact OG-N 2.8Å; S293-D314 WeakPolarHBondContact CB-OD2 3.36Å; S293-D314 PolarHBondContact OG-OD2 2.78Å
294	G	92	Very high	95.9	Very high	44 Å²	44	36.5 Å²	36.5	45%	0.454	21%	0.207	S	C	.	.			trans	63.2	2.7	-170.2	0	0	0	0	0	114.4	V291 P292	V291-G294 PolarHBondContact O-N 3.18Å; P292-G294 VanDerWaalsContact C-N 3.31Å
295	S	95.7	Very high	96	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.042	23%	0.233	C	C	.	.			trans	-68.5	146.4	-178.1	-174.2	0	0	0	0	110.9	H9 S293 C297 A313 D314	H9-S295 PolarHBondContact NE2-OG 3.03Å; S293-S295 PolarHBondContact O-N 2.99Å; S293-S295 WeakPolarHBondContact OG-CB 3.49Å; S293-S295 PolarHBondContact OG-N 2.8Å; S295-C297 PolarHBondContact O-N 3.46Å; S295-A313 PolarHBondContact OG-N 2.99Å; S295-D314 PolarHBondContact OG-N 3.1Å; S295-D314 VanDerWaalsContact OG-N 3.13Å
296	P	96.7	Very high	96.2	Very high	38 Å²	38	41.8 Å²	41.8	25%	0.247	24%	0.244	C	C	.	.			trans	-50.5	136.6	171.9	-27.1	35.2	0	0	0	111.7	M1 Y234 C312 A313	M1-P296 HydrophobicContact SD-CB 3.69Å; Y234-P296 HydrophobicContact CD2-CB 4.32Å; Y234-P296 HydrophobicContact CE1-CB 4.24Å; Y234-P296 HydrophobicContact CE2-CB 3.72Å; Y234-P296 HydrophobicContact CE2-CG 4.34Å; P296-C312 CarbonylContact O-C 3.58Å; P296-C312 WeakPolarHBondContact O-CA 3.35Å; P296-A313 HydrophobicContact CB-CB 4.29Å; P296-A313 PolarHBondContact O-N 2.75Å
297	C	97.8	Very high	96.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.9	-177.8	67.6	0	0	0	0	113.2	Y234 S248 S295 A310 I311 C312	Y234-C297 VanDerWaalsContact CB-O 3.29Å; Y234-C297 WeakPolarHBondContact CB-O 3.24Å; S248-C297 WeakPolarHBondContact CB-O 3.36Å; S248-C297 PolarHBondContact OG-O 3.1Å; S295-C297 PolarHBondContact O-N 3.46Å; C297-A310 HydrophobicContact CB-CB 4.47Å; C297-I311 CarbonylContact C-O 3.52Å; C297-I311 WeakPolarHBondContact CA-O 3.13Å; C297-I311 VanDerWaalsContact CB-O 3.26Å; C297-I311 WeakPolarHBondContact CB-O 3.42Å; C297-C312 HydrophobicContact CB-CB 4.12Å; C297-C312 VanDerWaalsContact CB-SG 3.54Å
298	I	98.3	Very high	96.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151.4	161.5	59.4	178.6	0	0	0	109.3	M1 A16 F18 C235 A310 I311	M1-I298 HydrophobicContact CB-CG2 3.6Å; A16-I298 HydrophobicContact CB-CD1 4.28Å; F18-I298 HydrophobicContact CD2-CB 4.41Å; F18-I298 HydrophobicContact CD2-CD1 3.69Å; F18-I298 HydrophobicContact CD2-CG1 4.13Å; F18-I298 HydrophobicContact CE2-CB 3.88Å; F18-I298 HydrophobicContact CE2-CD1 3.58Å; F18-I298 HydrophobicContact CE2-CG1 3.52Å; F18-I298 HydrophobicContact CG-CD1 4.34Å; F18-I298 HydrophobicContact CZ-CD1 4.15Å; F18-I298 HydrophobicContact CZ-CG1 4.04Å; C235-I298 HydrophobicContact CB-CB 4Å; C235-I298 HydrophobicContact CB-CG2 4.06Å; I298-A310 WeakPolarHBondContact O-CA 3.35Å; I298-I311 HydrophobicContact CD1-CB 4.36Å; I298-I311 HydrophobicContact CG1-CB 3.84Å; I298-I311 HydrophobicContact CG1-CG1 4.34Å; I298-I311 PolarHBondContact N-O 2.92Å; I298-I311 PolarHBondContact O-N 2.82Å
299	C	98.6	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.9	177.9	62.9	0	0	0	0	112.7	F18 C235 N237 S248 V254 V308 I309	F18-C299 VanDerWaalsContact CE2-C 3.48Å; C235-C299 PolarHBondContact SG-O 2.97Å; N237-C299 PolarHBondContact ND2-O 3.08Å; S248-C299 PolarHBondContact N-SG 2.97Å; V254-C299 HydrophobicContact CG1-CB 4.01Å; V254-C299 HydrophobicContact CG2-CB 4.28Å; C299-V308 HydrophobicContact CB-CG1 4.36Å; C299-I309 WeakPolarHBondContact CA-O 3.18Å; C299-I309 WeakPolarHBondContact CB-O 3.37Å
300	A	98.6	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	166	173.9	0	0	0	0	0	110	F18 H22 V308 I309	F18-A300 HydrophobicContact CD1-CB 4.13Å; F18-A300 HydrophobicContact CD2-CB 3.85Å; F18-A300 HydrophobicContact CE1-CB 3.85Å; F18-A300 HydrophobicContact CE2-CB 3.54Å; F18-A300 HydrophobicContact CG-CB 4.14Å; F18-A300 HydrophobicContact CZ-CB 3.54Å; H22-A300 HydrophobicContact CB-CB 3.77Å; A300-V308 WeakPolarHBondContact O-CA 3.12Å; A300-I309 PolarHBondContact N-O 3.16Å; A300-I309 VanDerWaalsContact N-O 3.09Å; A300-I309 PolarHBondContact O-N 3.2Å
301	F	98.4	Very high	96.6	Very high	16 Å²	16	28.3 Å²	28.3	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	144.4	173.2	-67.4	-91.2	0	0	0	110.7	N239 L244 C246 I256 A307 V308 F322	N239-F301 VanDerWaalsContact CA-CD2 3.42Å; N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.85Å; N239-F301 HydrophobicContact CB-CD2 3.46Å; N239-F301 VanDerWaalsContact CB-CD2 3.46Å; N239-F301 HydrophobicContact CB-CE1 4.1Å; N239-F301 HydrophobicContact CB-CE2 3.73Å; N239-F301 HydrophobicContact CB-CG 3.52Å; N239-F301 HydrophobicContact CB-CZ 4.04Å; N239-F301 VanDerWaalsContact N-CD2 3.33Å; N239-F301 VanDerWaalsContact N-CE2 3.34Å; L244-F301 HydrophobicContact CB-CE1 3.89Å; L244-F301 HydrophobicContact CB-CE2 4.38Å; L244-F301 HydrophobicContact CB-CZ 3.53Å; L244-F301 HydrophobicContact CD1-CE1 3.92Å; L244-F301 HydrophobicContact CD1-CZ 4.42Å; C246-F301 HydrophobicContact CB-CE2 3.86Å; C246-F301 HydrophobicContact CB-CZ 3.93Å; I256-F301 HydrophobicContact CG2-CE1 4.34Å; I256-F301 HydrophobicContact CG2-CZ 4.36Å; F301-A307 WeakPolarHBondContact CA-O 3.47Å; F301-V308 HydrophobicContact CD1-CG2 3.88Å; F301-V308 HydrophobicContact CE1-CG2 3.85Å; F301-F322 HydrophobicContact CE1-CE1 4.18Å; F301-F322 HydrophobicContact CE1-CZ 4.33Å
302	G	97.4	Very high	96.7	Very high	19 Å²	19	28.3 Å²	28.3	20%	0.196	18%	0.183	C	C	.	.			trans	-81.5	-169.7	174.5	0	0	0	0	0	112.9	A307	G302-A307 PolarHBondContact N-O 3.08Å
303	T	96.2	Very high	96.9	Very high	105 Å²	105	25.1 Å²	25.1	64%	0.644	16%	0.162	S	C	*	.	S	Bend	trans	-69.3	-34.4	175.8	53.3	0	0	0	0	112.7	D39	D39-T303 HydrophobicContact CB-CG2 4.07Å; D39-T303 WeakPolarHBondContact O-CG2 3.46Å; D39-T303 PolarHBondContact OD2-N 2.75Å; D39-T303 PolarHBondContact OD2-OG1 2.73Å
304	E	96.6	Very high	97.4	Very high	75 Å²	75	24.3 Å²	24.3	35%	0.35	15%	0.154	S	C	.	.	S	Bend	trans	-77.1	136.4	171.6	-68	169.8	-93.4	0	0	110.1	N306 A307 K319	E304-N306 PolarHBondContact O-N 2.85Å; E304-A307 HydrophobicContact CB-CB 3.92Å; E304-A307 WeakPolarHBondContact O-CB 3.46Å; E304-A307 PolarHBondContact O-N 3.45Å; E304-K319 WeakPolarHBondContact OE1-CE 3.23Å; E304-K319 IonicContact OE1-NZ 3.08Å; E304-K319 PolarHBondContact OE1-NZ 3.36Å
305	P	95.4	Very high	97.6	Very high	111 Å²	111	22.2 Å²	22.2	72%	0.721	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.6	-177.5	-26.4	34.4	0	0	0	114.7
306	N	97.1	Very high	97.7	Very high	57 Å²	57	22 Å²	22	31%	0.305	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	14	179.6	72.5	-45.4	0	0	0	113.9	E304 L321 F322	E304-N306 PolarHBondContact O-N 2.85Å; N306-L321 WeakPolarHBondContact O-CA 3.49Å; N306-F322 VanDerWaalsContact CA-CE1 3.44Å; N306-F322 VanDerWaalsContact CA-CZ 3.5Å; N306-F322 HydrophobicContact CB-CD1 4.42Å; N306-F322 HydrophobicContact CB-CD2 4.33Å; N306-F322 HydrophobicContact CB-CE1 4.24Å; N306-F322 HydrophobicContact CB-CE2 4.14Å; N306-F322 HydrophobicContact CB-CG 4.47Å; N306-F322 HydrophobicContact CB-CZ 4.09Å; N306-F322 VanDerWaalsContact CB-O 3.31Å; N306-F322 WeakPolarHBondContact CB-O 3.45Å; N306-F322 PolarHBondContact ND2-O 3.27Å; N306-F322 WeakPolarHBondContact O-CD1 3.35Å; N306-F322 VanDerWaalsContact O-CE1 3.23Å; N306-F322 WeakPolarHBondContact O-CE1 3.39Å; N306-F322 PolarHBondContact O-N 2.82Å
307	A	98.2	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.1	173.9	0	0	0	0	0	111.5	F301 G302 E304 K319 F320 L321	F301-A307 WeakPolarHBondContact CA-O 3.47Å; G302-A307 PolarHBondContact N-O 3.08Å; E304-A307 HydrophobicContact CB-CB 3.92Å; E304-A307 WeakPolarHBondContact O-CB 3.46Å; E304-A307 PolarHBondContact O-N 3.45Å; A307-K319 HydrophobicContact CB-CG 4.38Å; A307-F320 CarbonylContact C-O 3.53Å; A307-F320 WeakPolarHBondContact CA-O 3.48Å; A307-L321 HydrophobicContact CB-CD2 3.79Å
308	V	98.5	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	167.9	179.9	0	0	0	0	109	C246 V254 I256 F289 C299 A300 F301 F320 F322	C246-V308 HydrophobicContact CB-CG1 4.11Å; V254-V308 HydrophobicContact CG1-CG1 4.14Å; I256-V308 HydrophobicContact CD1-CB 4.45Å; I256-V308 HydrophobicContact CD1-CG2 3.64Å; I256-V308 HydrophobicContact CG1-CG2 4.14Å; F289-V308 HydrophobicContact CE1-CB 3.94Å; F289-V308 HydrophobicContact CE1-CG1 3.83Å; F289-V308 HydrophobicContact CZ-CB 4.33Å; F289-V308 HydrophobicContact CZ-CG1 3.88Å; C299-V308 HydrophobicContact CB-CG1 4.36Å; A300-V308 WeakPolarHBondContact O-CA 3.12Å; F301-V308 HydrophobicContact CD1-CG2 3.88Å; F301-V308 HydrophobicContact CE1-CG2 3.85Å; V308-F320 PolarHBondContact N-O 3.06Å; V308-F320 PolarHBondContact O-N 2.87Å; V308-F322 HydrophobicContact CG2-CD1 3.99Å; V308-F322 HydrophobicContact CG2-CE1 3.76Å
309	I	98.6	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.7	-175.6	-65.3	165.7	0	0	0	108.7	T38 D39 C299 A300 I311 Y317 Y318 K319	T38-I309 HydrophobicContact CG2-CB 4.41Å; T38-I309 HydrophobicContact CG2-CD1 3.63Å; T38-I309 HydrophobicContact CG2-CG2 4.02Å; D39-I309 HydrophobicContact CB-CD1 3.57Å; C299-I309 WeakPolarHBondContact CA-O 3.18Å; C299-I309 WeakPolarHBondContact CB-O 3.37Å; A300-I309 PolarHBondContact N-O 3.16Å; A300-I309 VanDerWaalsContact N-O 3.09Å; A300-I309 PolarHBondContact O-N 3.2Å; I309-I311 HydrophobicContact CG2-CD1 3.8Å; I309-I311 HydrophobicContact CG2-CG1 4.43Å; I309-Y317 WeakPolarHBondContact CD1-OH 3.24Å; I309-Y317 HydrophobicContact CG2-CD2 4.05Å; I309-Y317 HydrophobicContact CG2-CE2 3.36Å; I309-Y318 CarbonylContact C-O 3.28Å; I309-Y318 VanDerWaalsContact CA-O 3.24Å; I309-Y318 WeakPolarHBondContact CA-O 3.26Å; I309-K319 HydrophobicContact CG1-CB 4.35Å; I309-K319 HydrophobicContact CG1-CG 4.22Å
310	A	98.5	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124	174.6	0	0	0	0	0	110	C297 I298 Y318	C297-A310 HydrophobicContact CB-CB 4.47Å; I298-A310 WeakPolarHBondContact O-CA 3.35Å; A310-Y318 PolarHBondContact N-O 2.89Å; A310-Y318 PolarHBondContact O-N 3.05Å
311	I	98.4	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	114	175.3	-48.8	-57.9	0	0	0	107.8	A16 F18 F25 C297 I298 I309 Y317 F336	A16-I311 HydrophobicContact CB-CG2 4.49Å; F18-I311 HydrophobicContact CE1-CG1 3.98Å; F18-I311 HydrophobicContact CZ-CG1 3.76Å; F25-I311 HydrophobicContact CD1-CD1 3.96Å; F25-I311 HydrophobicContact CD1-CG1 4.18Å; F25-I311 HydrophobicContact CD2-CG1 4.4Å; F25-I311 HydrophobicContact CD2-CG2 4.05Å; F25-I311 HydrophobicContact CE1-CD1 3.61Å; F25-I311 HydrophobicContact CE1-CG1 4.29Å; F25-I311 HydrophobicContact CE2-CD1 4.27Å; F25-I311 HydrophobicContact CE2-CG1 4.49Å; F25-I311 HydrophobicContact CE2-CG2 3.88Å; F25-I311 HydrophobicContact CG-CD1 4.44Å; F25-I311 HydrophobicContact CG-CG1 4.24Å; F25-I311 HydrophobicContact CZ-CD1 3.77Å; F25-I311 HydrophobicContact CZ-CG1 4.44Å; F25-I311 HydrophobicContact CZ-CG2 4.4Å; C297-I311 CarbonylContact C-O 3.52Å; C297-I311 WeakPolarHBondContact CA-O 3.13Å; C297-I311 VanDerWaalsContact CB-O 3.26Å; C297-I311 WeakPolarHBondContact CB-O 3.42Å; I298-I311 HydrophobicContact CD1-CB 4.36Å; I298-I311 HydrophobicContact CG1-CB 3.84Å; I298-I311 HydrophobicContact CG1-CG1 4.34Å; I298-I311 PolarHBondContact N-O 2.92Å; I298-I311 PolarHBondContact O-N 2.82Å; I309-I311 HydrophobicContact CG2-CD1 3.8Å; I309-I311 HydrophobicContact CG2-CG1 4.43Å; I311-Y317 HydrophobicContact CD1-CD2 3.3Å; I311-Y317 HydrophobicContact CD1-CE2 3.8Å; I311-Y317 HydrophobicContact CD1-CG 4.32Å; I311-F336 HydrophobicContact CG2-CD1 4.39Å; I311-F336 HydrophobicContact CG2-CE1 3.65Å; I311-F336 HydrophobicContact CG2-CZ 3.87Å
312	C	98.3	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	154.6	-167	-52.6	0	0	0	0	112.4	P296 C297 D314 G315 S316	P296-C312 CarbonylContact O-C 3.58Å; P296-C312 WeakPolarHBondContact O-CA 3.35Å; C297-C312 HydrophobicContact CB-CB 4.12Å; C297-C312 VanDerWaalsContact CB-SG 3.54Å; C312-D314 WeakPolarHBondContact CB-OD1 3.33Å; C312-D314 PolarHBondContact O-N 2.82Å; C312-G315 PolarHBondContact O-N 2.81Å; C312-G315 VanDerWaalsContact O-N 3.15Å; C312-S316 WeakPolarHBondContact CB-O 3.34Å; C312-S316 PolarHBondContact N-O 3.29Å
313	A	97.9	Very high	97.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.7	-177.1	0	0	0	0	0	112.5	M1 L3 N7 N11 S295 P296 G315	M1-A313 HydrophobicContact CE-CB 3.64Å; M1-A313 HydrophobicContact SD-CB 4.1Å; L3-A313 HydrophobicContact CD1-CB 3.82Å; L3-A313 HydrophobicContact CD2-CB 3.81Å; L3-A313 HydrophobicContact CG-CB 4.49Å; N7-A313 PolarHBondContact ND2-O 2.66Å; N11-A313 PolarHBondContact ND2-O 3.1Å; S295-A313 PolarHBondContact OG-N 2.99Å; P296-A313 HydrophobicContact CB-CB 4.29Å; P296-A313 PolarHBondContact O-N 2.75Å; A313-G315 PolarHBondContact O-N 3.29Å
314	D	97.4	Very high	97.3	Very high	31 Å²	31	25.1 Å²	25.1	17%	0.166	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.3	174.8	64.4	-6.1	0	0	0	114	H9 N11 S293 S295 C312 S316	H9-D314 PolarHBondContact CD2-N 3.32Å; N11-D314 PolarHBondContact ND2-O 2.83Å; S293-D314 WeakPolarHBondContact CB-OD2 3.36Å; S293-D314 PolarHBondContact OG-OD2 2.78Å; S295-D314 PolarHBondContact OG-N 3.1Å; S295-D314 VanDerWaalsContact OG-N 3.13Å; C312-D314 WeakPolarHBondContact CB-OD1 3.33Å; C312-D314 PolarHBondContact O-N 2.82Å; D314-S316 WeakPolarHBondContact OD1-CB 3.36Å; D314-S316 PolarHBondContact OD1-N 3.42Å; D314-S316 PolarHBondContact OD1-OG 3.39Å; D314-S316 PolarHBondContact OD2-OG 3.22Å
315	G	97.5	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	96.2	2.4	-174.9	0	0	0	0	0	113.6	N11 C312 A313 Q335 F336	N11-G315 PolarHBondContact ND2-N 3.16Å; C312-G315 PolarHBondContact O-N 2.81Å; C312-G315 VanDerWaalsContact O-N 3.15Å; A313-G315 PolarHBondContact O-N 3.29Å; G315-Q335 VanDerWaalsContact C-OE1 3.22Å; G315-Q335 CarbonylContact O-C 3.42Å; G315-Q335 WeakPolarHBondContact O-CA 3.42Å; G315-Q335 PolarHBondContact O-OE1 3.14Å; G315-F336 VanDerWaalsContact C-CD1 3.5Å; G315-F336 VanDerWaalsContact C-CE1 3.43Å; G315-F336 WeakPolarHBondContact O-CD1 3.41Å; G315-F336 WeakPolarHBondContact O-CE1 3.01Å; G315-F336 PolarHBondContact O-N 3.42Å
316	S	97.9	Very high	96.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.1	177.2	-56.4	0	0	0	0	112	C312 D314 Y318 Q335	C312-S316 WeakPolarHBondContact CB-O 3.34Å; C312-S316 PolarHBondContact N-O 3.29Å; D314-S316 WeakPolarHBondContact OD1-CB 3.36Å; D314-S316 PolarHBondContact OD1-N 3.42Å; D314-S316 PolarHBondContact OD1-OG 3.39Å; D314-S316 PolarHBondContact OD2-OG 3.22Å; S316-Y318 VanDerWaalsContact CB-CE2 3.44Å; S316-Q335 PolarHBondContact OG-NE2 3.44Å
317	Y	98.3	Very high	96.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.4	165.5	172.9	-81.4	0	0	0	108.9	F25 T38 L41 I309 I311 K319 V332 Y333 A334	F25-Y317 HydrophobicContact CE1-CD2 4.5Å; T38-Y317 VanDerWaalsContact O-CE2 3.3Å; T38-Y317 WeakPolarHBondContact O-CE2 3.45Å; T38-Y317 PolarHBondContact O-OH 3.32Å; L41-Y317 HydrophobicContact CB-CD1 4.46Å; L41-Y317 HydrophobicContact CB-CD2 4.3Å; L41-Y317 HydrophobicContact CB-CE1 4.19Å; L41-Y317 HydrophobicContact CB-CE2 4.02Å; L41-Y317 HydrophobicContact CD1-CD2 3.7Å; L41-Y317 HydrophobicContact CD1-CE2 3.97Å; L41-Y317 HydrophobicContact CD1-CG 4.3Å; L41-Y317 HydrophobicContact CD2-CD1 3.85Å; L41-Y317 HydrophobicContact CD2-CD2 3.88Å; L41-Y317 HydrophobicContact CD2-CE1 4.4Å; L41-Y317 HydrophobicContact CD2-CE2 4.43Å; L41-Y317 HydrophobicContact CD2-CG 3.59Å; L41-Y317 HydrophobicContact CG-CD2 4.16Å; L41-Y317 HydrophobicContact CG-CE2 4.36Å; L41-Y317 HydrophobicContact CG-CG 4.36Å; I309-Y317 WeakPolarHBondContact CD1-OH 3.24Å; I309-Y317 HydrophobicContact CG2-CD2 4.05Å; I309-Y317 HydrophobicContact CG2-CE2 3.36Å; I311-Y317 HydrophobicContact CD1-CD2 3.3Å; I311-Y317 HydrophobicContact CD1-CE2 3.8Å; I311-Y317 HydrophobicContact CD1-CG 4.32Å; Y317-K319 HydrophobicContact CE1-CB 4.04Å; Y317-V332 HydrophobicContact CD1-CG1 4.47Å; Y317-V332 HydrophobicContact CE1-CB 4.34Å; Y317-V332 HydrophobicContact CE1-CG1 4.16Å; Y317-Y333 WeakPolarHBondContact O-CA 3.22Å; Y317-Y333 WeakPolarHBondContact O-CD2 3.47Å; Y317-A334 PolarHBondContact N-O 3.4Å; Y317-A334 PolarHBondContact O-N 2.99Å; Y317-A334 VanDerWaalsContact O-N 3.07Å
318	Y	98.3	Very high	96.6	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.7	170.7	-57.7	-82.1	0	0	0	111	V291 P292 I309 A310 S316 F320 V332 Y333	V291-Y318 HydrophobicContact CG1-CD2 4.31Å; V291-Y318 HydrophobicContact CG1-CE2 4.04Å; P292-Y318 HydrophobicContact CB-CE1 4.16Å; P292-Y318 HydrophobicContact CG-CD1 4.24Å; P292-Y318 HydrophobicContact CG-CE1 3.71Å; I309-Y318 CarbonylContact C-O 3.28Å; I309-Y318 VanDerWaalsContact CA-O 3.24Å; I309-Y318 WeakPolarHBondContact CA-O 3.26Å; A310-Y318 PolarHBondContact N-O 2.89Å; A310-Y318 PolarHBondContact O-N 3.05Å; S316-Y318 VanDerWaalsContact CB-CE2 3.44Å; Y318-F320 VanDerWaalsContact CB-CE2 3.42Å; Y318-F320 HydrophobicContact CD1-CE2 4.37Å; Y318-F320 AromaticContact CG-CE2 3.97Å; Y318-F320 HydrophobicContact CG-CE2 3.97Å; Y318-V332 WeakPolarHBondContact CA-O 3.49Å; Y318-Y333 AromaticContact CD1-CD2 3.59Å; Y318-Y333 HydrophobicContact CD1-CD2 3.59Å; Y318-Y333 HydrophobicContact CD1-CE2 4.46Å; Y318-Y333 HydrophobicContact CD1-CG 4.31Å; Y318-Y333 AromaticContact CE1-CD2 3.15Å; Y318-Y333 HydrophobicContact CE1-CD2 3.15Å; Y318-Y333 AromaticContact CE1-CE2 3.66Å; Y318-Y333 HydrophobicContact CE1-CE2 3.66Å; Y318-Y333 HydrophobicContact CE1-CG 4.03Å; Y318-Y333 HydrophobicContact CG-CD2 4.47Å; Y318-Y333 AromaticContact CZ-CD2 3.75Å; Y318-Y333 AromaticContact CZ-CE2 3.79Å
319	K	98.3	Very high	96.6	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.3	162.7	-176.1	178.5	170.3	179	0	108.6	D39 E304 A307 I309 Y317 D331 V332	D39-K319 IonicContact OD1-NZ 3.82Å; D39-K319 PolarHBondContact OD1-NZ 2.89Å; D39-K319 IonicContact OD2-NZ 3.51Å; E304-K319 WeakPolarHBondContact OE1-CE 3.23Å; E304-K319 IonicContact OE1-NZ 3.08Å; E304-K319 PolarHBondContact OE1-NZ 3.36Å; A307-K319 HydrophobicContact CB-CG 4.38Å; I309-K319 HydrophobicContact CG1-CB 4.35Å; I309-K319 HydrophobicContact CG1-CG 4.22Å; Y317-K319 HydrophobicContact CE1-CB 4.04Å; K319-D331 WeakPolarHBondContact CD-OD2 3.09Å; K319-D331 WeakPolarHBondContact CE-OD2 3.48Å; K319-D331 HydrophobicContact CG-CB 4.43Å; K319-D331 IonicContact NZ-OD2 2.7Å; K319-D331 PolarHBondContact O-N 3.13Å; K319-V332 HydrophobicContact CB-CB 3.84Å; K319-V332 HydrophobicContact CB-CG2 4.25Å; K319-V332 HydrophobicContact CD-CG2 4.18Å; K319-V332 PolarHBondContact N-O 3.48Å; K319-V332 PolarHBondContact O-N 2.82Å
320	F	98.5	Very high	96.5	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.9	174.8	-72.2	-93.7	0	0	0	109.9	F289 P292 A307 V308 Y318 I329 R330	F289-F320 HydrophobicContact CB-CD1 4.07Å; F289-F320 HydrophobicContact CB-CE1 4.17Å; F289-F320 HydrophobicContact CB-CG 4.45Å; F289-F320 HydrophobicContact CD1-CB 4Å; F289-F320 HydrophobicContact CD1-CD1 4.44Å; F289-F320 HydrophobicContact CD1-CD2 4.32Å; F289-F320 HydrophobicContact CD1-CG 4.02Å; F289-F320 HydrophobicContact CD2-CD1 4.12Å; F289-F320 AromaticContact CD2-CD2 3.54Å; F289-F320 HydrophobicContact CD2-CD2 3.54Å; F289-F320 HydrophobicContact CD2-CE1 4.07Å; F289-F320 AromaticContact CD2-CE2 3.47Å; F289-F320 HydrophobicContact CD2-CE2 3.47Å; F289-F320 VanDerWaalsContact CD2-CE2 3.47Å; F289-F320 AromaticContact CD2-CG 3.87Å; F289-F320 HydrophobicContact CD2-CG 3.87Å; F289-F320 AromaticContact CD2-CZ 3.76Å; F289-F320 HydrophobicContact CD2-CZ 3.76Å; F289-F320 HydrophobicContact CE1-CB 3.97Å; F289-F320 HydrophobicContact CE1-CD2 4.15Å; F289-F320 HydrophobicContact CE1-CG 4.15Å; F289-F320 AromaticContact CE2-CD2 3.33Å; F289-F320 HydrophobicContact CE2-CD2 3.33Å; F289-F320 AromaticContact CE2-CE2 3.45Å; F289-F320 HydrophobicContact CE2-CE2 3.45Å; F289-F320 VanDerWaalsContact CE2-CE2 3.45Å; F289-F320 HydrophobicContact CE2-CG 4.01Å; F289-F320 HydrophobicContact CE2-CZ 4.22Å; F289-F320 HydrophobicContact CG-CB 4.35Å; F289-F320 AromaticContact CG-CD1 3.97Å; F289-F320 HydrophobicContact CG-CD1 3.97Å; F289-F320 HydrophobicContact CG-CD2 4.03Å; F289-F320 HydrophobicContact CG-CE1 4.24Å; F289-F320 HydrophobicContact CG-CE2 4.27Å; F289-F320 AromaticContact CG-CG 3.86Å; F289-F320 HydrophobicContact CG-CG 3.86Å; F289-F320 HydrophobicContact CG-CZ 4.38Å; F289-F320 HydrophobicContact CZ-CB 4.28Å; F289-F320 AromaticContact CZ-CD2 3.64Å; F289-F320 HydrophobicContact CZ-CD2 3.64Å; F289-F320 HydrophobicContact CZ-CE2 4.23Å; F289-F320 HydrophobicContact CZ-CG 4.12Å; P292-F320 HydrophobicContact CG-CZ 4.3Å; A307-F320 CarbonylContact C-O 3.53Å; A307-F320 WeakPolarHBondContact CA-O 3.48Å; V308-F320 PolarHBondContact N-O 3.06Å; V308-F320 PolarHBondContact O-N 2.87Å; Y318-F320 VanDerWaalsContact CB-CE2 3.42Å; Y318-F320 HydrophobicContact CD1-CE2 4.37Å; Y318-F320 AromaticContact CG-CE2 3.97Å; Y318-F320 HydrophobicContact CG-CE2 3.97Å; F320-I329 CarbonylContact C-O 3.59Å; F320-I329 VanDerWaalsContact CA-O 3.25Å; F320-I329 WeakPolarHBondContact CA-O 3.27Å; F320-R330 HydrophobicContact CD1-CB 3.93Å; F320-R330 HydrophobicContact CD1-CG 4.46Å; F320-R330 HydrophobicContact CE1-CB 3.62Å; F320-R330 HydrophobicContact CE1-CG 4.07Å; F320-R330 HydrophobicContact CZ-CB 4.2Å; F320-R330 HydrophobicContact CZ-CG 4.16Å
321	L	98.3	Very high	96.4	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.3	170	-62.1	174.7	0	0	0	108.7	N306 A307 C328 I329 D331	N306-L321 WeakPolarHBondContact O-CA 3.49Å; A307-L321 HydrophobicContact CB-CD2 3.79Å; L321-C328 CarbonylContact O-C 3.48Å; L321-C328 VanDerWaalsContact O-CA 3.31Å; L321-C328 WeakPolarHBondContact O-CA 3.43Å; L321-I329 HydrophobicContact CB-CG1 4.02Å; L321-I329 PolarHBondContact N-O 2.81Å; L321-I329 PolarHBondContact O-N 3.45Å; L321-D331 HydrophobicContact CD1-CB 3.92Å; L321-D331 HydrophobicContact CG-CB 3.84Å
322	F	97.7	Very high	96.4	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.053	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	160.3	172.2	64.8	-90.8	0	0	0	111.3	L244 I256 F286 F301 N306 V308 E327	L244-F322 HydrophobicContact CD1-CE2 4Å; L244-F322 HydrophobicContact CD1-CZ 3.51Å; I256-F322 HydrophobicContact CD1-CB 4.18Å; I256-F322 HydrophobicContact CD1-CD1 3.44Å; I256-F322 VanDerWaalsContact CD1-CD1 3.44Å; I256-F322 HydrophobicContact CD1-CE1 3.95Å; I256-F322 HydrophobicContact CD1-CG 3.87Å; I256-F322 HydrophobicContact CG2-CE1 4.4Å; I256-F322 HydrophobicContact CG2-CZ 4.35Å; F286-F322 AromaticContact CE2-CD2 3.88Å; F286-F322 HydrophobicContact CE2-CD2 3.88Å; F286-F322 HydrophobicContact CE2-CE2 4.06Å; F286-F322 HydrophobicContact CZ-CD2 4.08Å; F286-F322 AromaticContact CZ-CE2 3.83Å; F286-F322 HydrophobicContact CZ-CE2 3.83Å; F301-F322 HydrophobicContact CE1-CE1 4.18Å; F301-F322 HydrophobicContact CE1-CZ 4.33Å; N306-F322 VanDerWaalsContact CA-CE1 3.44Å; N306-F322 VanDerWaalsContact CA-CZ 3.5Å; N306-F322 HydrophobicContact CB-CD1 4.42Å; N306-F322 HydrophobicContact CB-CD2 4.33Å; N306-F322 HydrophobicContact CB-CE1 4.24Å; N306-F322 HydrophobicContact CB-CE2 4.14Å; N306-F322 HydrophobicContact CB-CG 4.47Å; N306-F322 HydrophobicContact CB-CZ 4.09Å; N306-F322 VanDerWaalsContact CB-O 3.31Å; N306-F322 WeakPolarHBondContact CB-O 3.45Å; N306-F322 PolarHBondContact ND2-O 3.27Å; N306-F322 WeakPolarHBondContact O-CD1 3.35Å; N306-F322 VanDerWaalsContact O-CE1 3.23Å; N306-F322 WeakPolarHBondContact O-CE1 3.39Å; N306-F322 PolarHBondContact O-N 2.82Å; V308-F322 HydrophobicContact CG2-CD1 3.99Å; V308-F322 HydrophobicContact CG2-CE1 3.76Å; F322-E327 CarbonylContact C-O 3.55Å; F322-E327 WeakPolarHBondContact CA-O 3.2Å
323	N	95	Very high	96.3	Very high	51 Å²	51	53 Å²	53	27%	0.273	26%	0.263	S	S	.	.			trans	-119	170.3	173.8	75.2	16.4	0	0	0	111.7	K325 G326 E327	N323-K325 PolarHBondContact O-N 2.75Å; N323-K325 VanDerWaalsContact O-N 3.16Å; N323-K325 WeakPolarHBondContact OD1-CA 3.36Å; N323-K325 WeakPolarHBondContact OD1-CB 3.36Å; N323-K325 PolarHBondContact OD1-N 3.16Å; N323-G326 WeakPolarHBondContact O-CA 3.2Å; N323-G326 PolarHBondContact O-N 3.3Å; N323-G326 PolarHBondContact OD1-N 2.76Å; N323-G326 VanDerWaalsContact OD1-N 3.1Å; N323-E327 PolarHBondContact N-O 3.19Å; N323-E327 PolarHBondContact ND2-OE2 2.85Å; N323-E327 PolarHBondContact OD1-N 3.03Å; N323-E327 VanDerWaalsContact OD1-N 3.08Å
324	P	89.2	Confident	96.3	Very high	124 Å²	124	53.9 Å²	53.9	81%	0.805	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.4	178.9	-26.8	36.5	0	0	0	115	G326	P324-G326 PolarHBondContact O-N 3.27Å
325	K	89.9	Confident	96.3	Very high	171 Å²	171	54.7 Å²	54.7	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-8	174.3	-60.1	-178.6	179.8	177.9	0	112.5	N323	N323-K325 PolarHBondContact O-N 2.75Å; N323-K325 VanDerWaalsContact O-N 3.16Å; N323-K325 WeakPolarHBondContact OD1-CA 3.36Å; N323-K325 WeakPolarHBondContact OD1-CB 3.36Å; N323-K325 PolarHBondContact OD1-N 3.16Å
326	G	91.1	Very high	96.3	Very high	10 Å²	10	54.7 Å²	54.7	10%	0.103	27%	0.273	C	S	.	.			trans	87.2	7.8	178.8	0	0	0	0	0	114.6	F286 S287 N323 P324	F286-G326 WeakPolarHBondContact O-CA 3.19Å; S287-G326 WeakPolarHBondContact CB-O 3.29Å; S287-G326 PolarHBondContact OG-O 2.82Å; N323-G326 WeakPolarHBondContact O-CA 3.2Å; N323-G326 PolarHBondContact O-N 3.3Å; N323-G326 PolarHBondContact OD1-N 2.76Å; N323-G326 VanDerWaalsContact OD1-N 3.1Å; P324-G326 PolarHBondContact O-N 3.27Å
327	E	95.5	Very high	96.2	Very high	118 Å²	118	55.6 Å²	55.6	55%	0.551	28%	0.278	S	S	*	.			trans	-73.2	140.4	172.7	-59.6	165.1	154.8	0	0	109.3	F322 N323	F322-E327 CarbonylContact C-O 3.55Å; F322-E327 WeakPolarHBondContact CA-O 3.2Å; N323-E327 PolarHBondContact N-O 3.19Å; N323-E327 PolarHBondContact ND2-OE2 2.85Å; N323-E327 PolarHBondContact OD1-N 3.03Å; N323-E327 VanDerWaalsContact OD1-N 3.08Å
328	C	96.5	Very high	96	Very high	35 Å²	35	62.6 Å²	62.6	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.6	176	-73	0	0	0	0	110.3	S287 F289 L321	S287-C328 PolarHBondContact OG-SG 3.14Å; F289-C328 HydrophobicContact CB-CB 3.93Å; L321-C328 CarbonylContact O-C 3.48Å; L321-C328 VanDerWaalsContact O-CA 3.31Å; L321-C328 WeakPolarHBondContact O-CA 3.43Å
329	I	96.8	Very high	95.4	Very high	112 Å²	112	63.9 Å²	63.9	57%	0.574	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.2	169.7	61.9	172.2	0	0	0	109.5	F320 L321	F320-I329 CarbonylContact C-O 3.59Å; F320-I329 VanDerWaalsContact CA-O 3.25Å; F320-I329 WeakPolarHBondContact CA-O 3.27Å; L321-I329 HydrophobicContact CB-CG1 4.02Å; L321-I329 PolarHBondContact N-O 2.81Å; L321-I329 PolarHBondContact O-N 3.45Å
330	R	97.4	Very high	94	Very high	143 Å²	143	67.8 Å²	67.8	54%	0.54	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.6	171.7	-172.3	-174.5	68.6	-174.2	1.1	108.4	F320	F320-R330 HydrophobicContact CD1-CB 3.93Å; F320-R330 HydrophobicContact CD1-CG 4.46Å; F320-R330 HydrophobicContact CE1-CB 3.62Å; F320-R330 HydrophobicContact CE1-CG 4.07Å; F320-R330 HydrophobicContact CZ-CB 4.2Å; F320-R330 HydrophobicContact CZ-CG 4.16Å
331	D	97.2	Very high	92.3	Very high	79 Å²	79	74.1 Å²	74.1	42%	0.422	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-52.9	-179.4	-179.9	47.1	0	0	0	110.9	K319 L321	K319-D331 WeakPolarHBondContact CD-OD2 3.09Å; K319-D331 WeakPolarHBondContact CE-OD2 3.48Å; K319-D331 HydrophobicContact CG-CB 4.43Å; K319-D331 IonicContact NZ-OD2 2.7Å; K319-D331 PolarHBondContact O-N 3.13Å; L321-D331 HydrophobicContact CD1-CB 3.92Å; L321-D331 HydrophobicContact CG-CB 3.84Å
332	V	97.3	Very high	90	Very high	52 Å²	52	80 Å²	80	32%	0.315	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.4	-179.3	-174.5	0	0	0	0	111	Y317 Y318 K319	Y317-V332 HydrophobicContact CD1-CG1 4.47Å; Y317-V332 HydrophobicContact CE1-CB 4.34Å; Y317-V332 HydrophobicContact CE1-CG1 4.16Å; Y318-V332 WeakPolarHBondContact CA-O 3.49Å; K319-V332 HydrophobicContact CB-CB 3.84Å; K319-V332 HydrophobicContact CB-CG2 4.25Å; K319-V332 HydrophobicContact CD-CG2 4.18Å; K319-V332 PolarHBondContact N-O 3.48Å; K319-V332 PolarHBondContact O-N 2.82Å
333	Y	97.3	Very high	87.2	Confident	109 Å²	109	87.4 Å²	87.4	43%	0.427	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.1	167.2	164	-106.8	0	0	0	110	Y317 Y318 Q335	Y317-Y333 WeakPolarHBondContact O-CA 3.22Å; Y317-Y333 WeakPolarHBondContact O-CD2 3.47Å; Y318-Y333 AromaticContact CD1-CD2 3.59Å; Y318-Y333 HydrophobicContact CD1-CD2 3.59Å; Y318-Y333 HydrophobicContact CD1-CE2 4.46Å; Y318-Y333 HydrophobicContact CD1-CG 4.31Å; Y318-Y333 AromaticContact CE1-CD2 3.15Å; Y318-Y333 HydrophobicContact CE1-CD2 3.15Å; Y318-Y333 AromaticContact CE1-CE2 3.66Å; Y318-Y333 HydrophobicContact CE1-CE2 3.66Å; Y318-Y333 HydrophobicContact CE1-CG 4.03Å; Y318-Y333 HydrophobicContact CG-CD2 4.47Å; Y318-Y333 AromaticContact CZ-CD2 3.75Å; Y318-Y333 AromaticContact CZ-CE2 3.79Å; Y333-Q335 PolarHBondContact OH-NE2 2.87Å
334	A	97.4	Very high	84.6	Confident	18 Å²	18	93.8 Å²	93.8	15%	0.149	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156	172.7	0	0	0	0	0	110.9	L41 Y317	L41-A334 HydrophobicContact CD2-CB 3.61Å; Y317-A334 PolarHBondContact N-O 3.4Å; Y317-A334 PolarHBondContact O-N 2.99Å; Y317-A334 VanDerWaalsContact O-N 3.07Å
335	Q	96.9	Very high	84.4	Confident	49 Å²	49	92.3 Å²	92.3	23%	0.229	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	93.4	163.1	-75.8	-62.1	-28.6	0	0	108	G315 S316 Y333 L337 E338 M339	G315-Q335 VanDerWaalsContact C-OE1 3.22Å; G315-Q335 CarbonylContact O-C 3.42Å; G315-Q335 WeakPolarHBondContact O-CA 3.42Å; G315-Q335 PolarHBondContact O-OE1 3.14Å; S316-Q335 PolarHBondContact OG-NE2 3.44Å; Y333-Q335 PolarHBondContact OH-NE2 2.87Å; Q335-L337 VanDerWaalsContact C-N 3.26Å; Q335-L337 PolarHBondContact O-N 3.07Å; Q335-E338 HydrophobicContact CB-CB 4.1Å; Q335-E338 HydrophobicContact CB-CG 4.23Å; Q335-E338 PolarHBondContact O-N 3.14Å; Q335-E338 VanDerWaalsContact O-N 3.1Å; Q335-M339 PolarHBondContact O-N 3.12Å
336	F	97	Very high	84.1	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-68.6	-25.3	-165.8	72.9	-98.3	0	0	0	113.2	L13 F25 Y36 L41 I311 G315 E338 M339	L13-F336 HydrophobicContact CD2-CZ 4.36Å; F25-F336 HydrophobicContact CE2-CD2 4.01Å; F25-F336 AromaticContact CE2-CE2 3.99Å; F25-F336 HydrophobicContact CE2-CE2 3.99Å; F25-F336 HydrophobicContact CE2-CG 4.42Å; F25-F336 HydrophobicContact CE2-CZ 4.38Å; F25-F336 HydrophobicContact CZ-CD2 4.25Å; F25-F336 HydrophobicContact CZ-CG 4.3Å; Y36-F336 HydrophobicContact CD2-CD2 4.31Å; Y36-F336 HydrophobicContact CE1-CB 4.47Å; Y36-F336 HydrophobicContact CE1-CD2 4.13Å; Y36-F336 WeakPolarHBondContact CE1-O 3.41Å; Y36-F336 AromaticContact CE2-CD2 3.75Å; Y36-F336 HydrophobicContact CE2-CD2 3.75Å; Y36-F336 HydrophobicContact CE2-CE2 4.04Å; Y36-F336 AromaticContact CZ-CD2 3.67Å; Y36-F336 PolarHBondContact OH-O 3.14Å; L41-F336 HydrophobicContact CD1-CB 4.23Å; L41-F336 HydrophobicContact CD2-CB 4.03Å; I311-F336 HydrophobicContact CG2-CD1 4.39Å; I311-F336 HydrophobicContact CG2-CE1 3.65Å; I311-F336 HydrophobicContact CG2-CZ 3.87Å; G315-F336 VanDerWaalsContact C-CD1 3.5Å; G315-F336 VanDerWaalsContact C-CE1 3.43Å; G315-F336 WeakPolarHBondContact O-CD1 3.41Å; G315-F336 WeakPolarHBondContact O-CE1 3.01Å; G315-F336 PolarHBondContact O-N 3.42Å; F336-E338 VanDerWaalsContact C-N 3.31Å; F336-M339 HydrophobicContact CB-SD 4.19Å
337	L	96	Very high	83.7	Confident	20 Å²	20	92.4 Å²	92.4	11%	0.105	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-74.9	-21.7	176.4	-67	176.9	0	0	0	113.3	N11 L13 M29 R34 Q335	N11-L337 HydrophobicContact CB-CD1 3.95Å; L13-L337 HydrophobicContact CB-CD1 4.22Å; M29-L337 HydrophobicContact CE-CD2 3.73Å; M29-L337 HydrophobicContact SD-CD2 4.04Å; R34-L337 PolarHBondContact NH1-O 3.27Å; Q335-L337 VanDerWaalsContact C-N 3.26Å; Q335-L337 PolarHBondContact O-N 3.07Å
338	E	93.8	Very high	83	Confident	149 Å²	149	90.9 Å²	90.9	70%	0.696	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-100.5	1.9	-178.7	-60	-179.1	-176.5	0	0	112.6	Q335 F336 T340	Q335-E338 HydrophobicContact CB-CB 4.1Å; Q335-E338 HydrophobicContact CB-CG 4.23Å; Q335-E338 PolarHBondContact O-N 3.14Å; Q335-E338 VanDerWaalsContact O-N 3.1Å; F336-E338 VanDerWaalsContact C-N 3.31Å; E338-T340 PolarHBondContact O-N 3.13Å
339	M	87.2	Confident	82.2	Confident	37 Å²	37	94.4 Å²	94.4	18%	0.182	47%	0.469	C	S	.	.			trans	-62.3	123.4	174.4	-69.6	179.3	66.6	0	0	109.3	L41 Q335 F336 L344	L41-M339 HydrophobicContact CD1-SD 4.42Å; L41-M339 HydrophobicContact CD2-CE 4.24Å; L41-M339 HydrophobicContact CD2-SD 3.38Å; L41-M339 WeakPolarHBondContact CD2-SD 3.4Å; L41-M339 HydrophobicContact CG-CE 4.13Å; L41-M339 HydrophobicContact CG-SD 3.67Å; Q335-M339 PolarHBondContact O-N 3.12Å; F336-M339 HydrophobicContact CB-SD 4.19Å; M339-L344 HydrophobicContact CE-CD1 3.69Å
340	T	69	Low	81.2	Confident	94 Å²	94	93.3 Å²	93.3	58%	0.577	46%	0.462	S	S	*	.			trans	-98.4	149.1	167.4	43.8	0	0	0	0	107.5	E338 D342 K343	E338-T340 PolarHBondContact O-N 3.13Å; T340-D342 PolarHBondContact O-N 3.16Å; T340-K343 PolarHBondContact O-N 3.02Å
341	D	62.6	Low	80.1	Confident	147 Å²	147	89.7 Å²	89.7	79%	0.786	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-16.5	-174.4	-79.5	-38.8	0	0	0	114.3
342	D	50	Low	78.8	Confident	150 Å²	150	90.5 Å²	90.5	80%	0.802	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	3.1	-173.1	-67.6	-31.1	0	0	0	116	T340	T340-D342 PolarHBondContact O-N 3.16Å
343	K	37.8	Very low	77.2	Confident	168 Å²	168	93.8 Å²	93.8	73%	0.73	47%	0.471	S	S	*	.			trans	-137.5	82.7	-177.2	-68.3	-171.8	-179.2	177.7	0	114.8	T340	T340-K343 PolarHBondContact O-N 3.02Å
344	L	41.5	Very low	75.4	Confident	184 Å²	184	92.4 Å²	92.4	96%	0.963	48%	0.475	S	S	*	.			trans	179	0	140.2	-96.3	158.6	0	0	0	108.1	M339	M339-L344 HydrophobicContact CE-CD1 3.69Å

Retrieved 344 of 344 residues in 137.5 ms (Link to these results)

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